----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:16:49]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976401795609376 -4.479251934999999 0.000000000000000 b 3.976401795609376 4.479251934999999 0.000000000000000 c -1.432706951174341 0.000000000000000 7.362700493577109 Atomic positions (fractional): *1 Cd 0.10345188661479 0.41137273274081 0.20885336667440 112.411 2 Cd 0.58862726725919 0.89654811338521 0.29114663332560 112.411 3 Cd 0.89654811338521 0.58862726725919 0.79114663332560 112.411 4 Cd 0.41137273274081 0.10345188661479 0.70885336667440 112.411 *5 P 0.66408226968612 0.57218303560196 0.46840940522262 30.974 6 P 0.42781696439804 0.33591773031388 0.03159059477738 30.974 7 P 0.33591773031388 0.42781696439804 0.53159059477738 30.974 8 P 0.57218303560196 0.66408226968612 0.96840940522262 30.974 *9 P 0.69719339560226 0.30280660439774 0.25000000000000 30.974 10 P 0.30280660439774 0.69719339560226 0.75000000000000 30.974 *11 Cl 0.13447969264892 0.86552030735108 0.25000000000000 35.453 12 Cl 0.86552030735108 0.13447969264892 0.75000000000000 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.952803591218752 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958503869999998 0.000000000000000 c -1.432706951174341 0.000000000000000 7.362700493577109 Atomic positions (fractional): *1 Cd 0.25741230967780 0.15396042306301 0.20885336667440 112.411 > 1 2 Cd 0.74258769032220 0.15396042306301 0.29114663332560 112.411 > 2 3 Cd 0.74258769032220 0.84603957693699 0.79114663332560 112.411 > 3 4 Cd 0.25741230967780 0.84603957693699 0.70885336667440 112.411 > 4 5 Cd 0.75741230967780 0.65396042306301 0.20885336667440 112.411 > 1 6 Cd 0.24258769032220 0.65396042306301 0.29114663332560 112.411 > 2 7 Cd 0.24258769032220 0.34603957693699 0.79114663332560 112.411 > 3 8 Cd 0.75741230967780 0.34603957693699 0.70885336667440 112.411 > 4 *9 P 0.61813265264404 0.95405038295792 0.46840940522262 30.974 > 5 10 P 0.38186734735596 0.95405038295792 0.03159059477738 30.974 > 6 11 P 0.38186734735596 0.04594961704208 0.53159059477738 30.974 > 7 12 P 0.61813265264404 0.04594961704208 0.96840940522262 30.974 > 8 *13 P 0.50000000000000 0.80280660439774 0.25000000000000 30.974 > 9 14 P 0.50000000000000 0.19719339560226 0.75000000000000 30.974 > 10 15 P 0.11813265264404 0.45405038295792 0.46840940522262 30.974 > 5 16 P 0.88186734735596 0.45405038295792 0.03159059477738 30.974 > 6 17 P 0.88186734735596 0.54594961704208 0.53159059477738 30.974 > 7 18 P 0.11813265264404 0.54594961704208 0.96840940522262 30.974 > 8 19 P 0.00000000000000 0.30280660439774 0.25000000000000 30.974 > 9 20 P 0.00000000000000 0.69719339560226 0.75000000000000 30.974 > 10 *21 Cl 0.50000000000000 0.36552030735108 0.25000000000000 35.453 > 11 22 Cl 0.50000000000000 0.63447969264892 0.75000000000000 35.453 > 12 23 Cl 0.00000000000000 0.86552030735108 0.25000000000000 35.453 > 11 24 Cl 0.00000000000000 0.13447969264892 0.75000000000000 35.453 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.905607182437503 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958503869999998 0.000000000000000 c -2.865413902348682 0.000000000000000 14.725400987154218 Atomic positions (fractional): *1 Cd 0.12870615483890 0.15396042306301 0.10442668333720 112.411 > 1 2 Cd 0.62870615483890 0.15396042306301 0.10442668333720 112.411 > 1 3 Cd 0.12870615483890 0.15396042306301 0.60442668333720 112.411 > 1 4 Cd 0.62870615483890 0.15396042306301 0.60442668333720 112.411 > 1 5 Cd 0.37129384516110 0.15396042306301 0.14557331666280 112.411 > 2 6 Cd 0.87129384516110 0.15396042306301 0.14557331666280 112.411 > 2 7 Cd 0.37129384516110 0.15396042306301 0.64557331666280 112.411 > 2 8 Cd 0.87129384516110 0.15396042306301 0.64557331666280 112.411 > 2 9 Cd 0.37129384516110 0.84603957693699 0.39557331666280 112.411 > 3 10 Cd 0.87129384516110 0.84603957693699 0.39557331666280 112.411 > 3 11 Cd 0.37129384516110 0.84603957693699 0.89557331666280 112.411 > 3 12 Cd 0.87129384516110 0.84603957693699 0.89557331666280 112.411 > 3 13 Cd 0.12870615483890 0.84603957693699 0.35442668333720 112.411 > 4 14 Cd 0.62870615483890 0.84603957693699 0.35442668333720 112.411 > 4 15 Cd 0.12870615483890 0.84603957693699 0.85442668333720 112.411 > 4 16 Cd 0.62870615483890 0.84603957693699 0.85442668333720 112.411 > 4 17 Cd 0.37870615483890 0.65396042306301 0.10442668333720 112.411 > 1 18 Cd 0.87870615483890 0.65396042306301 0.10442668333720 112.411 > 1 19 Cd 0.37870615483890 0.65396042306301 0.60442668333720 112.411 > 1 20 Cd 0.87870615483890 0.65396042306301 0.60442668333720 112.411 > 1 21 Cd 0.12129384516110 0.65396042306301 0.14557331666280 112.411 > 2 22 Cd 0.62129384516110 0.65396042306301 0.14557331666280 112.411 > 2 23 Cd 0.12129384516110 0.65396042306301 0.64557331666280 112.411 > 2 24 Cd 0.62129384516110 0.65396042306301 0.64557331666280 112.411 > 2 25 Cd 0.12129384516110 0.34603957693699 0.39557331666280 112.411 > 3 26 Cd 0.62129384516110 0.34603957693699 0.39557331666280 112.411 > 3 27 Cd 0.12129384516110 0.34603957693699 0.89557331666280 112.411 > 3 28 Cd 0.62129384516110 0.34603957693699 0.89557331666280 112.411 > 3 29 Cd 0.37870615483890 0.34603957693699 0.35442668333720 112.411 > 4 30 Cd 0.87870615483890 0.34603957693699 0.35442668333720 112.411 > 4 31 Cd 0.37870615483890 0.34603957693699 0.85442668333720 112.411 > 4 32 Cd 0.87870615483890 0.34603957693699 0.85442668333720 112.411 > 4 *33 P 0.30906632632202 0.95405038295792 0.23420470261131 30.974 > 5 34 P 0.80906632632202 0.95405038295792 0.23420470261131 30.974 > 5 35 P 0.30906632632202 0.95405038295792 0.73420470261131 30.974 > 5 36 P 0.80906632632202 0.95405038295792 0.73420470261131 30.974 > 5 37 P 0.19093367367798 0.95405038295792 0.01579529738869 30.974 > 6 38 P 0.69093367367798 0.95405038295792 0.01579529738869 30.974 > 6 39 P 0.19093367367798 0.95405038295792 0.51579529738869 30.974 > 6 40 P 0.69093367367798 0.95405038295792 0.51579529738869 30.974 > 6 41 P 0.19093367367798 0.04594961704208 0.26579529738869 30.974 > 7 42 P 0.69093367367798 0.04594961704208 0.26579529738869 30.974 > 7 43 P 0.19093367367798 0.04594961704208 0.76579529738869 30.974 > 7 44 P 0.69093367367798 0.04594961704208 0.76579529738869 30.974 > 7 45 P 0.30906632632202 0.04594961704208 0.48420470261131 30.974 > 8 46 P 0.80906632632202 0.04594961704208 0.48420470261131 30.974 > 8 47 P 0.30906632632202 0.04594961704208 0.98420470261131 30.974 > 8 48 P 0.80906632632202 0.04594961704208 0.98420470261131 30.974 > 8 *49 P 0.25000000000000 0.80280660439774 0.12500000000000 30.974 > 9 50 P 0.75000000000000 0.80280660439774 0.12500000000000 30.974 > 9 51 P 0.25000000000000 0.80280660439774 0.62500000000000 30.974 > 9 52 P 0.75000000000000 0.80280660439774 0.62500000000000 30.974 > 9 53 P 0.25000000000000 0.19719339560226 0.37500000000000 30.974 > 10 54 P 0.75000000000000 0.19719339560226 0.37500000000000 30.974 > 10 55 P 0.25000000000000 0.19719339560226 0.87500000000000 30.974 > 10 56 P 0.75000000000000 0.19719339560226 0.87500000000000 30.974 > 10 57 P 0.05906632632202 0.45405038295792 0.23420470261131 30.974 > 5 58 P 0.55906632632202 0.45405038295792 0.23420470261131 30.974 > 5 59 P 0.05906632632202 0.45405038295792 0.73420470261131 30.974 > 5 60 P 0.55906632632202 0.45405038295792 0.73420470261131 30.974 > 5 61 P 0.44093367367798 0.45405038295792 0.01579529738869 30.974 > 6 62 P 0.94093367367798 0.45405038295792 0.01579529738869 30.974 > 6 63 P 0.44093367367798 0.45405038295792 0.51579529738869 30.974 > 6 64 P 0.94093367367798 0.45405038295792 0.51579529738869 30.974 > 6 65 P 0.44093367367798 0.54594961704208 0.26579529738869 30.974 > 7 66 P 0.94093367367798 0.54594961704208 0.26579529738869 30.974 > 7 67 P 0.44093367367798 0.54594961704208 0.76579529738869 30.974 > 7 68 P 0.94093367367798 0.54594961704208 0.76579529738869 30.974 > 7 69 P 0.05906632632202 0.54594961704208 0.48420470261131 30.974 > 8 70 P 0.55906632632202 0.54594961704208 0.48420470261131 30.974 > 8 71 P 0.05906632632202 0.54594961704208 0.98420470261131 30.974 > 8 72 P 0.55906632632202 0.54594961704208 0.98420470261131 30.974 > 8 73 P 0.00000000000000 0.30280660439774 0.12500000000000 30.974 > 9 74 P 0.50000000000000 0.30280660439774 0.12500000000000 30.974 > 9 75 P 0.00000000000000 0.30280660439774 0.62500000000000 30.974 > 9 76 P 0.50000000000000 0.30280660439774 0.62500000000000 30.974 > 9 77 P 0.00000000000000 0.69719339560226 0.37500000000000 30.974 > 10 78 P 0.50000000000000 0.69719339560226 0.37500000000000 30.974 > 10 79 P 0.00000000000000 0.69719339560226 0.87500000000000 30.974 > 10 80 P 0.50000000000000 0.69719339560226 0.87500000000000 30.974 > 10 *81 Cl 0.25000000000000 0.36552030735108 0.12500000000000 35.453 > 11 82 Cl 0.75000000000000 0.36552030735108 0.12500000000000 35.453 > 11 83 Cl 0.25000000000000 0.36552030735108 0.62500000000000 35.453 > 11 84 Cl 0.75000000000000 0.36552030735108 0.62500000000000 35.453 > 11 85 Cl 0.25000000000000 0.63447969264892 0.37500000000000 35.453 > 12 86 Cl 0.75000000000000 0.63447969264892 0.37500000000000 35.453 > 12 87 Cl 0.25000000000000 0.63447969264892 0.87500000000000 35.453 > 12 88 Cl 0.75000000000000 0.63447969264892 0.87500000000000 35.453 > 12 89 Cl 0.00000000000000 0.86552030735108 0.12500000000000 35.453 > 11 90 Cl 0.50000000000000 0.86552030735108 0.12500000000000 35.453 > 11 91 Cl 0.00000000000000 0.86552030735108 0.62500000000000 35.453 > 11 92 Cl 0.50000000000000 0.86552030735108 0.62500000000000 35.453 > 11 93 Cl 0.00000000000000 0.13447969264892 0.37500000000000 35.453 > 12 94 Cl 0.50000000000000 0.13447969264892 0.37500000000000 35.453 > 12 95 Cl 0.00000000000000 0.13447969264892 0.87500000000000 35.453 > 12 96 Cl 0.50000000000000 0.13447969264892 0.87500000000000 35.453 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5324397 0.0000000 -0.1189891 0.0000000 8.4618796 0.0000000 -0.1189895 0.0000000 10.0965561 -------------------------- Born effective charges -------------------------- 1 Cd 2.1185713 -0.3383804 0.0955438 -0.3937533 2.0175062 -0.1368914 0.0483037 -0.1037778 2.0871023 2 Cd 2.1185713 0.3383804 0.0955438 0.3937533 2.0175062 0.1368914 0.0483037 0.1037778 2.0871023 3 Cd 2.1185713 -0.3383804 0.0955438 -0.3937533 2.0175062 -0.1368914 0.0483037 -0.1037778 2.0871023 4 Cd 2.1185713 0.3383804 0.0955438 0.3937533 2.0175062 0.1368914 0.0483037 0.1037778 2.0871023 5 P -0.5737328 -0.2541692 -0.1201918 -0.0712174 -0.7230651 0.3617870 -0.3284051 0.0932919 -1.3467287 6 P -0.5737328 0.2541692 -0.1201918 0.0712174 -0.7230651 -0.3617870 -0.3284051 -0.0932919 -1.3467287 7 P -0.5737328 -0.2541692 -0.1201918 -0.0712174 -0.7230651 0.3617870 -0.3284051 0.0932919 -1.3467287 8 P -0.5737328 0.2541692 -0.1201918 0.0712174 -0.7230651 -0.3617870 -0.3284051 -0.0932919 -1.3467287 9 P -0.8021208 0.0000000 0.2776504 0.0000000 -0.5088867 0.0000000 0.6401861 0.0000000 -0.2000668 10 P -0.8021208 0.0000000 0.2776504 0.0000000 -0.5088867 0.0000000 0.6401861 0.0000000 -0.2000668 11 Cl -2.2875563 0.0000000 -0.2283544 0.0000000 -2.0799955 0.0000000 -0.0799833 0.0000000 -1.2806804 12 Cl -2.2875563 0.0000000 -0.2283544 0.0000000 -2.0799955 0.0000000 -0.0799833 0.0000000 -1.2806804 ---------------------------------------------------------------------------- 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: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.498 Solver_block: 200 / 400 - Time: 1.525 Solver_block: 300 / 400 - Time: 1.519 Solver_block: 400 / 400 - Time: 1.520 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.095 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:17:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:17:10]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976401795609376 -4.479251934999999 0.000000000000000 b 3.976401795609376 4.479251934999999 0.000000000000000 c -1.432706951174341 0.000000000000000 7.362700493577109 Atomic positions (fractional): 1 Cd 0.10345188661479 0.41137273274081 0.20885336667440 112.411 2 Cd 0.58862726725919 0.89654811338521 0.29114663332560 112.411 3 Cd 0.89654811338521 0.58862726725919 0.79114663332560 112.411 4 Cd 0.41137273274081 0.10345188661479 0.70885336667440 112.411 5 P 0.66408226968612 0.57218303560196 0.46840940522262 30.974 6 P 0.42781696439804 0.33591773031388 0.03159059477738 30.974 7 P 0.33591773031388 0.42781696439804 0.53159059477738 30.974 8 P 0.57218303560196 0.66408226968612 0.96840940522262 30.974 9 P 0.69719339560226 0.30280660439774 0.25000000000000 30.974 10 P 0.30280660439774 0.69719339560226 0.75000000000000 30.974 11 Cl 0.13447969264892 0.86552030735108 0.25000000000000 35.453 12 Cl 0.86552030735108 0.13447969264892 0.75000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.905607182437503 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958503869999998 0.000000000000000 c -2.865413902348682 0.000000000000000 14.725400987154218 Atomic positions (fractional): 1 Cd 0.12870615483890 0.15396042306301 0.10442668333720 112.411 > 1 2 Cd 0.62870615483890 0.15396042306301 0.10442668333720 112.411 > 1 3 Cd 0.12870615483890 0.15396042306301 0.60442668333720 112.411 > 1 4 Cd 0.62870615483890 0.15396042306301 0.60442668333720 112.411 > 1 5 Cd 0.37129384516110 0.15396042306301 0.14557331666280 112.411 > 5 6 Cd 0.87129384516110 0.15396042306301 0.14557331666280 112.411 > 5 7 Cd 0.37129384516110 0.15396042306301 0.64557331666280 112.411 > 5 8 Cd 0.87129384516110 0.15396042306301 0.64557331666280 112.411 > 5 9 Cd 0.37129384516110 0.84603957693699 0.39557331666280 112.411 > 9 10 Cd 0.87129384516110 0.84603957693699 0.39557331666280 112.411 > 9 11 Cd 0.37129384516110 0.84603957693699 0.89557331666280 112.411 > 9 12 Cd 0.87129384516110 0.84603957693699 0.89557331666280 112.411 > 9 13 Cd 0.12870615483890 0.84603957693699 0.35442668333720 112.411 > 13 14 Cd 0.62870615483890 0.84603957693699 0.35442668333720 112.411 > 13 15 Cd 0.12870615483890 0.84603957693699 0.85442668333720 112.411 > 13 16 Cd 0.62870615483890 0.84603957693699 0.85442668333720 112.411 > 13 17 Cd 0.37870615483890 0.65396042306301 0.10442668333720 112.411 > 1 18 Cd 0.87870615483890 0.65396042306301 0.10442668333720 112.411 > 1 19 Cd 0.37870615483890 0.65396042306301 0.60442668333720 112.411 > 1 20 Cd 0.87870615483890 0.65396042306301 0.60442668333720 112.411 > 1 21 Cd 0.12129384516110 0.65396042306301 0.14557331666280 112.411 > 5 22 Cd 0.62129384516110 0.65396042306301 0.14557331666280 112.411 > 5 23 Cd 0.12129384516110 0.65396042306301 0.64557331666280 112.411 > 5 24 Cd 0.62129384516110 0.65396042306301 0.64557331666280 112.411 > 5 25 Cd 0.12129384516110 0.34603957693699 0.39557331666280 112.411 > 9 26 Cd 0.62129384516110 0.34603957693699 0.39557331666280 112.411 > 9 27 Cd 0.12129384516110 0.34603957693699 0.89557331666280 112.411 > 9 28 Cd 0.62129384516110 0.34603957693699 0.89557331666280 112.411 > 9 29 Cd 0.37870615483890 0.34603957693699 0.35442668333720 112.411 > 13 30 Cd 0.87870615483890 0.34603957693699 0.35442668333720 112.411 > 13 31 Cd 0.37870615483890 0.34603957693699 0.85442668333720 112.411 > 13 32 Cd 0.87870615483890 0.34603957693699 0.85442668333720 112.411 > 13 33 P 0.30906632632202 0.95405038295792 0.23420470261131 30.974 > 33 34 P 0.80906632632202 0.95405038295792 0.23420470261131 30.974 > 33 35 P 0.30906632632202 0.95405038295792 0.73420470261131 30.974 > 33 36 P 0.80906632632202 0.95405038295792 0.73420470261131 30.974 > 33 37 P 0.19093367367798 0.95405038295792 0.01579529738869 30.974 > 37 38 P 0.69093367367798 0.95405038295792 0.01579529738869 30.974 > 37 39 P 0.19093367367798 0.95405038295792 0.51579529738869 30.974 > 37 40 P 0.69093367367798 0.95405038295792 0.51579529738869 30.974 > 37 41 P 0.19093367367798 0.04594961704208 0.26579529738869 30.974 > 41 42 P 0.69093367367798 0.04594961704208 0.26579529738869 30.974 > 41 43 P 0.19093367367798 0.04594961704208 0.76579529738869 30.974 > 41 44 P 0.69093367367798 0.04594961704208 0.76579529738869 30.974 > 41 45 P 0.30906632632202 0.04594961704208 0.48420470261131 30.974 > 45 46 P 0.80906632632202 0.04594961704208 0.48420470261131 30.974 > 45 47 P 0.30906632632202 0.04594961704208 0.98420470261131 30.974 > 45 48 P 0.80906632632202 0.04594961704208 0.98420470261131 30.974 > 45 49 P 0.25000000000000 0.80280660439774 0.12500000000000 30.974 > 49 50 P 0.75000000000000 0.80280660439774 0.12500000000000 30.974 > 49 51 P 0.25000000000000 0.80280660439774 0.62500000000000 30.974 > 49 52 P 0.75000000000000 0.80280660439774 0.62500000000000 30.974 > 49 53 P 0.25000000000000 0.19719339560226 0.37500000000000 30.974 > 53 54 P 0.75000000000000 0.19719339560226 0.37500000000000 30.974 > 53 55 P 0.25000000000000 0.19719339560226 0.87500000000000 30.974 > 53 56 P 0.75000000000000 0.19719339560226 0.87500000000000 30.974 > 53 57 P 0.05906632632202 0.45405038295792 0.23420470261131 30.974 > 33 58 P 0.55906632632202 0.45405038295792 0.23420470261131 30.974 > 33 59 P 0.05906632632202 0.45405038295792 0.73420470261131 30.974 > 33 60 P 0.55906632632202 0.45405038295792 0.73420470261131 30.974 > 33 61 P 0.44093367367798 0.45405038295792 0.01579529738869 30.974 > 37 62 P 0.94093367367798 0.45405038295792 0.01579529738869 30.974 > 37 63 P 0.44093367367798 0.45405038295792 0.51579529738869 30.974 > 37 64 P 0.94093367367798 0.45405038295792 0.51579529738869 30.974 > 37 65 P 0.44093367367798 0.54594961704208 0.26579529738869 30.974 > 41 66 P 0.94093367367798 0.54594961704208 0.26579529738869 30.974 > 41 67 P 0.44093367367798 0.54594961704208 0.76579529738869 30.974 > 41 68 P 0.94093367367798 0.54594961704208 0.76579529738869 30.974 > 41 69 P 0.05906632632202 0.54594961704208 0.48420470261131 30.974 > 45 70 P 0.55906632632202 0.54594961704208 0.48420470261131 30.974 > 45 71 P 0.05906632632202 0.54594961704208 0.98420470261131 30.974 > 45 72 P 0.55906632632202 0.54594961704208 0.98420470261131 30.974 > 45 73 P 0.00000000000000 0.30280660439774 0.12500000000000 30.974 > 49 74 P 0.50000000000000 0.30280660439774 0.12500000000000 30.974 > 49 75 P 0.00000000000000 0.30280660439774 0.62500000000000 30.974 > 49 76 P 0.50000000000000 0.30280660439774 0.62500000000000 30.974 > 49 77 P 0.00000000000000 0.69719339560226 0.37500000000000 30.974 > 53 78 P 0.50000000000000 0.69719339560226 0.37500000000000 30.974 > 53 79 P 0.00000000000000 0.69719339560226 0.87500000000000 30.974 > 53 80 P 0.50000000000000 0.69719339560226 0.87500000000000 30.974 > 53 81 Cl 0.25000000000000 0.36552030735108 0.12500000000000 35.453 > 81 82 Cl 0.75000000000000 0.36552030735108 0.12500000000000 35.453 > 81 83 Cl 0.25000000000000 0.36552030735108 0.62500000000000 35.453 > 81 84 Cl 0.75000000000000 0.36552030735108 0.62500000000000 35.453 > 81 85 Cl 0.25000000000000 0.63447969264892 0.37500000000000 35.453 > 85 86 Cl 0.75000000000000 0.63447969264892 0.37500000000000 35.453 > 85 87 Cl 0.25000000000000 0.63447969264892 0.87500000000000 35.453 > 85 88 Cl 0.75000000000000 0.63447969264892 0.87500000000000 35.453 > 85 89 Cl 0.00000000000000 0.86552030735108 0.12500000000000 35.453 > 81 90 Cl 0.50000000000000 0.86552030735108 0.12500000000000 35.453 > 81 91 Cl 0.00000000000000 0.86552030735108 0.62500000000000 35.453 > 81 92 Cl 0.50000000000000 0.86552030735108 0.62500000000000 35.453 > 81 93 Cl 0.00000000000000 0.13447969264892 0.37500000000000 35.453 > 85 94 Cl 0.50000000000000 0.13447969264892 0.37500000000000 35.453 > 85 95 Cl 0.00000000000000 0.13447969264892 0.87500000000000 35.453 > 85 96 Cl 0.50000000000000 0.13447969264892 0.87500000000000 35.453 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5324397 0.0000000 -0.1189891 0.0000000 8.4618796 0.0000000 -0.1189895 0.0000000 10.0965561 -------------------------- Born effective charges -------------------------- 1 Cd 2.1185713 -0.3383804 0.0955438 -0.3937533 2.0175062 -0.1368914 0.0483037 -0.1037778 2.0871023 2 Cd 2.1185713 0.3383804 0.0955438 0.3937533 2.0175062 0.1368914 0.0483037 0.1037778 2.0871023 3 Cd 2.1185713 -0.3383804 0.0955438 -0.3937533 2.0175062 -0.1368914 0.0483037 -0.1037778 2.0871023 4 Cd 2.1185713 0.3383804 0.0955438 0.3937533 2.0175062 0.1368914 0.0483037 0.1037778 2.0871023 5 P -0.5737328 -0.2541692 -0.1201918 -0.0712174 -0.7230651 0.3617870 -0.3284051 0.0932919 -1.3467287 6 P -0.5737328 0.2541692 -0.1201918 0.0712174 -0.7230651 -0.3617870 -0.3284051 -0.0932919 -1.3467287 7 P -0.5737328 -0.2541692 -0.1201918 -0.0712174 -0.7230651 0.3617870 -0.3284051 0.0932919 -1.3467287 8 P -0.5737328 0.2541692 -0.1201918 0.0712174 -0.7230651 -0.3617870 -0.3284051 -0.0932919 -1.3467287 9 P -0.8021208 0.0000000 0.2776504 0.0000000 -0.5088867 0.0000000 0.6401861 0.0000000 -0.2000668 10 P -0.8021208 0.0000000 0.2776504 0.0000000 -0.5088867 0.0000000 0.6401861 0.0000000 -0.2000668 11 Cl -2.2875563 0.0000000 -0.2283544 0.0000000 -2.0799955 0.0000000 -0.0799833 0.0000000 -1.2806804 12 Cl -2.2875563 0.0000000 -0.2283544 0.0000000 -2.0799955 0.0000000 -0.0799833 0.0000000 -1.2806804 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 21:17:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:17:23]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976401795609376 -4.479251934999999 0.000000000000000 b 3.976401795609376 4.479251934999999 0.000000000000000 c -1.432706951174341 0.000000000000000 7.362700493577109 Atomic positions (fractional): 1 Cd 0.10345188661479 0.41137273274081 0.20885336667440 112.411 2 Cd 0.58862726725919 0.89654811338521 0.29114663332560 112.411 3 Cd 0.89654811338521 0.58862726725919 0.79114663332560 112.411 4 Cd 0.41137273274081 0.10345188661479 0.70885336667440 112.411 5 P 0.66408226968612 0.57218303560196 0.46840940522262 30.974 6 P 0.42781696439804 0.33591773031388 0.03159059477738 30.974 7 P 0.33591773031388 0.42781696439804 0.53159059477738 30.974 8 P 0.57218303560196 0.66408226968612 0.96840940522262 30.974 9 P 0.69719339560226 0.30280660439774 0.25000000000000 30.974 10 P 0.30280660439774 0.69719339560226 0.75000000000000 30.974 11 Cl 0.13447969264892 0.86552030735108 0.25000000000000 35.453 12 Cl 0.86552030735108 0.13447969264892 0.75000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.905607182437503 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958503869999998 0.000000000000000 c -2.865413902348682 0.000000000000000 14.725400987154218 Atomic positions (fractional): 1 Cd 0.12870615483890 0.15396042306301 0.10442668333720 112.411 > 1 2 Cd 0.62870615483890 0.15396042306301 0.10442668333720 112.411 > 1 3 Cd 0.12870615483890 0.15396042306301 0.60442668333720 112.411 > 1 4 Cd 0.62870615483890 0.15396042306301 0.60442668333720 112.411 > 1 5 Cd 0.37129384516110 0.15396042306301 0.14557331666280 112.411 > 5 6 Cd 0.87129384516110 0.15396042306301 0.14557331666280 112.411 > 5 7 Cd 0.37129384516110 0.15396042306301 0.64557331666280 112.411 > 5 8 Cd 0.87129384516110 0.15396042306301 0.64557331666280 112.411 > 5 9 Cd 0.37129384516110 0.84603957693699 0.39557331666280 112.411 > 9 10 Cd 0.87129384516110 0.84603957693699 0.39557331666280 112.411 > 9 11 Cd 0.37129384516110 0.84603957693699 0.89557331666280 112.411 > 9 12 Cd 0.87129384516110 0.84603957693699 0.89557331666280 112.411 > 9 13 Cd 0.12870615483890 0.84603957693699 0.35442668333720 112.411 > 13 14 Cd 0.62870615483890 0.84603957693699 0.35442668333720 112.411 > 13 15 Cd 0.12870615483890 0.84603957693699 0.85442668333720 112.411 > 13 16 Cd 0.62870615483890 0.84603957693699 0.85442668333720 112.411 > 13 17 Cd 0.37870615483890 0.65396042306301 0.10442668333720 112.411 > 1 18 Cd 0.87870615483890 0.65396042306301 0.10442668333720 112.411 > 1 19 Cd 0.37870615483890 0.65396042306301 0.60442668333720 112.411 > 1 20 Cd 0.87870615483890 0.65396042306301 0.60442668333720 112.411 > 1 21 Cd 0.12129384516110 0.65396042306301 0.14557331666280 112.411 > 5 22 Cd 0.62129384516110 0.65396042306301 0.14557331666280 112.411 > 5 23 Cd 0.12129384516110 0.65396042306301 0.64557331666280 112.411 > 5 24 Cd 0.62129384516110 0.65396042306301 0.64557331666280 112.411 > 5 25 Cd 0.12129384516110 0.34603957693699 0.39557331666280 112.411 > 9 26 Cd 0.62129384516110 0.34603957693699 0.39557331666280 112.411 > 9 27 Cd 0.12129384516110 0.34603957693699 0.89557331666280 112.411 > 9 28 Cd 0.62129384516110 0.34603957693699 0.89557331666280 112.411 > 9 29 Cd 0.37870615483890 0.34603957693699 0.35442668333720 112.411 > 13 30 Cd 0.87870615483890 0.34603957693699 0.35442668333720 112.411 > 13 31 Cd 0.37870615483890 0.34603957693699 0.85442668333720 112.411 > 13 32 Cd 0.87870615483890 0.34603957693699 0.85442668333720 112.411 > 13 33 P 0.30906632632202 0.95405038295792 0.23420470261131 30.974 > 33 34 P 0.80906632632202 0.95405038295792 0.23420470261131 30.974 > 33 35 P 0.30906632632202 0.95405038295792 0.73420470261131 30.974 > 33 36 P 0.80906632632202 0.95405038295792 0.73420470261131 30.974 > 33 37 P 0.19093367367798 0.95405038295792 0.01579529738869 30.974 > 37 38 P 0.69093367367798 0.95405038295792 0.01579529738869 30.974 > 37 39 P 0.19093367367798 0.95405038295792 0.51579529738869 30.974 > 37 40 P 0.69093367367798 0.95405038295792 0.51579529738869 30.974 > 37 41 P 0.19093367367798 0.04594961704208 0.26579529738869 30.974 > 41 42 P 0.69093367367798 0.04594961704208 0.26579529738869 30.974 > 41 43 P 0.19093367367798 0.04594961704208 0.76579529738869 30.974 > 41 44 P 0.69093367367798 0.04594961704208 0.76579529738869 30.974 > 41 45 P 0.30906632632202 0.04594961704208 0.48420470261131 30.974 > 45 46 P 0.80906632632202 0.04594961704208 0.48420470261131 30.974 > 45 47 P 0.30906632632202 0.04594961704208 0.98420470261131 30.974 > 45 48 P 0.80906632632202 0.04594961704208 0.98420470261131 30.974 > 45 49 P 0.25000000000000 0.80280660439774 0.12500000000000 30.974 > 49 50 P 0.75000000000000 0.80280660439774 0.12500000000000 30.974 > 49 51 P 0.25000000000000 0.80280660439774 0.62500000000000 30.974 > 49 52 P 0.75000000000000 0.80280660439774 0.62500000000000 30.974 > 49 53 P 0.25000000000000 0.19719339560226 0.37500000000000 30.974 > 53 54 P 0.75000000000000 0.19719339560226 0.37500000000000 30.974 > 53 55 P 0.25000000000000 0.19719339560226 0.87500000000000 30.974 > 53 56 P 0.75000000000000 0.19719339560226 0.87500000000000 30.974 > 53 57 P 0.05906632632202 0.45405038295792 0.23420470261131 30.974 > 33 58 P 0.55906632632202 0.45405038295792 0.23420470261131 30.974 > 33 59 P 0.05906632632202 0.45405038295792 0.73420470261131 30.974 > 33 60 P 0.55906632632202 0.45405038295792 0.73420470261131 30.974 > 33 61 P 0.44093367367798 0.45405038295792 0.01579529738869 30.974 > 37 62 P 0.94093367367798 0.45405038295792 0.01579529738869 30.974 > 37 63 P 0.44093367367798 0.45405038295792 0.51579529738869 30.974 > 37 64 P 0.94093367367798 0.45405038295792 0.51579529738869 30.974 > 37 65 P 0.44093367367798 0.54594961704208 0.26579529738869 30.974 > 41 66 P 0.94093367367798 0.54594961704208 0.26579529738869 30.974 > 41 67 P 0.44093367367798 0.54594961704208 0.76579529738869 30.974 > 41 68 P 0.94093367367798 0.54594961704208 0.76579529738869 30.974 > 41 69 P 0.05906632632202 0.54594961704208 0.48420470261131 30.974 > 45 70 P 0.55906632632202 0.54594961704208 0.48420470261131 30.974 > 45 71 P 0.05906632632202 0.54594961704208 0.98420470261131 30.974 > 45 72 P 0.55906632632202 0.54594961704208 0.98420470261131 30.974 > 45 73 P 0.00000000000000 0.30280660439774 0.12500000000000 30.974 > 49 74 P 0.50000000000000 0.30280660439774 0.12500000000000 30.974 > 49 75 P 0.00000000000000 0.30280660439774 0.62500000000000 30.974 > 49 76 P 0.50000000000000 0.30280660439774 0.62500000000000 30.974 > 49 77 P 0.00000000000000 0.69719339560226 0.37500000000000 30.974 > 53 78 P 0.50000000000000 0.69719339560226 0.37500000000000 30.974 > 53 79 P 0.00000000000000 0.69719339560226 0.87500000000000 30.974 > 53 80 P 0.50000000000000 0.69719339560226 0.87500000000000 30.974 > 53 81 Cl 0.25000000000000 0.36552030735108 0.12500000000000 35.453 > 81 82 Cl 0.75000000000000 0.36552030735108 0.12500000000000 35.453 > 81 83 Cl 0.25000000000000 0.36552030735108 0.62500000000000 35.453 > 81 84 Cl 0.75000000000000 0.36552030735108 0.62500000000000 35.453 > 81 85 Cl 0.25000000000000 0.63447969264892 0.37500000000000 35.453 > 85 86 Cl 0.75000000000000 0.63447969264892 0.37500000000000 35.453 > 85 87 Cl 0.25000000000000 0.63447969264892 0.87500000000000 35.453 > 85 88 Cl 0.75000000000000 0.63447969264892 0.87500000000000 35.453 > 85 89 Cl 0.00000000000000 0.86552030735108 0.12500000000000 35.453 > 81 90 Cl 0.50000000000000 0.86552030735108 0.12500000000000 35.453 > 81 91 Cl 0.00000000000000 0.86552030735108 0.62500000000000 35.453 > 81 92 Cl 0.50000000000000 0.86552030735108 0.62500000000000 35.453 > 81 93 Cl 0.00000000000000 0.13447969264892 0.37500000000000 35.453 > 85 94 Cl 0.50000000000000 0.13447969264892 0.37500000000000 35.453 > 85 95 Cl 0.00000000000000 0.13447969264892 0.87500000000000 35.453 > 85 96 Cl 0.50000000000000 0.13447969264892 0.87500000000000 35.453 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5324397 0.0000000 -0.1189891 0.0000000 8.4618796 0.0000000 -0.1189895 0.0000000 10.0965561 -------------------------- Born effective charges -------------------------- 1 Cd 2.1185713 -0.3383804 0.0955438 -0.3937533 2.0175062 -0.1368914 0.0483037 -0.1037778 2.0871023 2 Cd 2.1185713 0.3383804 0.0955438 0.3937533 2.0175062 0.1368914 0.0483037 0.1037778 2.0871023 3 Cd 2.1185713 -0.3383804 0.0955438 -0.3937533 2.0175062 -0.1368914 0.0483037 -0.1037778 2.0871023 4 Cd 2.1185713 0.3383804 0.0955438 0.3937533 2.0175062 0.1368914 0.0483037 0.1037778 2.0871023 5 P -0.5737328 -0.2541692 -0.1201918 -0.0712174 -0.7230651 0.3617870 -0.3284051 0.0932919 -1.3467287 6 P -0.5737328 0.2541692 -0.1201918 0.0712174 -0.7230651 -0.3617870 -0.3284051 -0.0932919 -1.3467287 7 P -0.5737328 -0.2541692 -0.1201918 -0.0712174 -0.7230651 0.3617870 -0.3284051 0.0932919 -1.3467287 8 P -0.5737328 0.2541692 -0.1201918 0.0712174 -0.7230651 -0.3617870 -0.3284051 -0.0932919 -1.3467287 9 P -0.8021208 0.0000000 0.2776504 0.0000000 -0.5088867 0.0000000 0.6401861 0.0000000 -0.2000668 10 P -0.8021208 0.0000000 0.2776504 0.0000000 -0.5088867 0.0000000 0.6401861 0.0000000 -0.2000668 11 Cl -2.2875563 0.0000000 -0.2283544 0.0000000 -2.0799955 0.0000000 -0.0799833 0.0000000 -1.2806804 12 Cl -2.2875563 0.0000000 -0.2283544 0.0000000 -2.0799955 0.0000000 -0.0799833 0.0000000 -1.2806804 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 295, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 13.113 ( 0.000 0.000 0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 14.052 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 10.568 -9.651 0.576) 14.323 0.464 ( 14.588 -13.338 6.841) 20.917 0.859 ( 26.255 -16.474 -3.152) 31.155 1.206 ( 10.011 -5.246 0.619) 11.319 1.793 ( 4.687 -0.728 -1.392) 4.944 1.800 ( 1.629 0.174 3.250) 3.640 1.993 ( -0.199 2.903 4.030) 4.971 2.058 ( -3.726 -0.827 1.054) 3.960 2.129 ( -1.670 1.206 -1.017) 2.297 2.289 ( 5.391 -8.891 -1.456) 10.499 2.295 ( -3.774 -2.674 3.687) 5.916 2.558 ( 5.476 -1.740 -4.134) 7.078 2.760 ( 1.573 0.585 0.877) 1.893 3.256 ( -6.176 -0.073 6.805) 9.190 3.408 ( 3.224 -1.062 -0.432) 3.422 4.286 ( 3.572 -2.385 -0.780) 4.366 4.402 ( 10.948 6.835 -0.328) 12.911 4.878 ( 2.321 -1.987 0.333) 3.073 5.021 ( 3.718 3.646 -0.447) 5.227 5.255 ( 0.675 -1.003 -1.446) 1.885 5.389 ( -5.017 -4.222 5.903) 8.823 6.105 ( 0.591 2.174 -2.352) 3.257 7.043 ( -7.244 1.073 0.657) 7.353 8.344 ( -4.014 4.148 -1.534) 5.972 8.791 ( 0.926 2.975 -1.381) 3.408 9.710 ( -7.998 -3.628 -6.134) 10.712 9.846 ( -0.130 9.100 1.495) 9.223 10.014 ( 5.324 -4.119 4.985) 8.376 10.219 ( 2.123 -4.620 -1.993) 5.461 10.588 ( 3.035 -1.152 -1.197) 3.460 13.113 ( -0.100 -0.193 0.069) 0.228 13.237 ( -0.041 1.177 1.571) 1.964 13.374 ( -0.147 -0.409 0.573) 0.719 13.538 ( 0.918 -1.798 -0.113) 2.022 13.948 ( -0.044 0.038 -0.328) 0.333 14.048 ( -0.380 0.228 0.170) 0.475 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 5.352 -6.440 0.048) 8.374 0.838 ( 9.873 -8.559 5.282) 14.093 1.219 ( 13.565 -0.060 0.136) 13.566 1.442 ( 8.536 -2.005 -3.937) 9.612 1.800 ( -0.083 0.916 5.704) 5.778 1.918 ( 2.535 -2.275 -0.450) 3.436 1.958 ( -1.525 1.009 2.318) 2.953 2.042 ( 0.305 -0.813 0.668) 1.095 2.070 ( -4.310 -0.338 -0.780) 4.393 2.319 ( 0.412 -2.466 4.012) 4.727 2.569 ( 8.700 -2.967 -5.118) 10.521 2.624 ( 1.450 -5.055 2.795) 5.956 2.940 ( 15.168 -14.790 -5.812) 21.969 3.172 ( -5.981 -0.663 4.158) 7.315 3.483 ( 3.011 -2.915 1.171) 4.352 4.395 ( 4.965 -3.253 -1.474) 6.116 4.497 ( 8.992 2.687 -1.178) 9.458 4.964 ( 3.540 -2.628 0.624) 4.452 5.038 ( 0.426 -1.849 1.764) 2.590 5.272 ( -0.226 -0.958 -0.902) 1.335 5.384 ( -2.314 -1.093 2.823) 3.811 6.054 ( -0.098 4.377 -3.768) 5.776 6.868 ( -9.524 4.697 1.923) 10.792 8.196 ( -4.700 5.359 -2.025) 7.410 8.735 ( -0.531 4.659 -0.809) 4.759 9.636 ( -6.280 -4.750 -6.406) 10.150 9.733 ( 0.469 8.284 4.593) 9.484 10.169 ( 3.445 -5.474 4.403) 7.824 10.292 ( 2.001 -1.814 -1.635) 3.158 10.665 ( 4.025 -1.928 -1.756) 4.796 13.115 ( -0.108 -0.297 0.075) 0.325 13.225 ( -0.006 0.954 0.409) 1.038 13.382 ( 0.029 -0.595 0.896) 1.076 13.582 ( 0.984 -2.007 -0.165) 2.241 13.945 ( -0.028 -0.017 -0.515) 0.516 14.037 ( -0.537 0.321 0.252) 0.675 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.977 -2.390 -0.271) 2.596 1.011 ( 2.512 -0.745 2.833) 3.859 1.389 ( 8.622 0.977 0.731) 8.708 1.545 ( 5.557 -0.566 -3.591) 6.640 1.814 ( 0.969 0.505 5.221) 5.334 1.929 ( -0.691 -0.266 -0.000) 0.740 1.965 ( -0.122 -1.067 1.179) 1.595 1.999 ( -2.608 -0.089 -1.822) 3.182 2.060 ( -2.165 -1.753 0.923) 2.934 2.373 ( 1.345 -1.081 2.630) 3.146 2.570 ( -0.658 0.478 -2.502) 2.631 2.777 ( 7.217 -1.289 1.543) 7.492 3.037 ( -7.214 0.749 2.350) 7.623 3.434 ( 7.794 -7.327 -5.894) 12.213 3.702 ( 14.274 -16.736 1.064) 22.022 4.501 ( 3.368 -2.506 -1.300) 4.394 4.573 ( 5.073 2.684 -0.637) 5.774 5.010 ( -1.435 -0.501 2.038) 2.543 5.125 ( 4.274 -2.944 2.113) 5.604 5.257 ( -1.959 0.279 -0.794) 2.132 5.359 ( -2.349 -0.190 0.713) 2.462 5.966 ( -0.922 4.690 -3.254) 5.783 6.665 ( -7.502 4.256 2.042) 8.864 8.063 ( -2.923 3.544 -1.505) 4.834 8.658 ( -1.005 3.531 -0.611) 3.721 9.605 ( -4.170 -5.009 -5.728) 8.677 9.661 ( 1.472 6.504 5.235) 8.478 10.286 ( -1.381 -6.507 3.758) 7.640 10.329 ( 4.321 2.474 -2.160) 5.428 10.738 ( 2.529 -1.364 -1.236) 3.128 13.118 ( -0.031 -0.252 0.050) 0.259 13.214 ( -0.036 0.542 0.065) 0.547 13.394 ( 0.139 -0.486 0.671) 0.841 13.616 ( 0.516 -1.132 -0.100) 1.248 13.945 ( 0.015 -0.079 -0.406) 0.414 14.026 ( -0.380 0.226 0.187) 0.480 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.000 -0.000 0.000) 0.000 1.022 ( 0.000 -0.000 0.000) 0.000 1.454 ( 0.000 -0.000 0.000) 0.000 1.599 ( 0.000 -0.000 0.000) 0.000 1.828 ( 0.000 -0.000 0.000) 0.000 1.931 ( -0.000 -0.000 0.000) 0.000 1.940 ( 0.000 0.000 -0.000) 0.000 2.028 ( -0.000 -0.000 0.000) 0.000 2.029 ( 0.000 0.000 -0.000) 0.000 2.396 ( 0.000 -0.000 -0.000) 0.000 2.557 ( 0.000 -0.000 0.000) 0.000 2.902 ( -0.000 0.000 0.000) 0.000 2.918 ( 0.000 -0.000 -0.000) 0.000 3.503 ( 0.000 -0.000 -0.000) 0.000 4.035 ( 0.000 -0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 -0.000 -0.000) 0.000 4.982 ( 0.000 -0.000 0.000) 0.000 5.197 ( -0.000 -0.000 -0.000) 0.000 5.230 ( 0.000 -0.000 0.000) 0.000 5.339 ( 0.000 -0.000 -0.000) 0.000 5.912 ( 0.000 -0.000 -0.000) 0.000 6.572 ( 0.000 -0.000 0.000) 0.000 8.011 ( 0.000 -0.000 -0.000) 0.000 8.622 ( 0.000 -0.000 -0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.632 ( -0.000 -0.000 -0.000) 0.000 10.322 ( -0.000 -0.000 0.000) 0.000 10.347 ( 0.000 0.000 -0.000) 0.000 10.767 ( 0.000 -0.000 0.000) 0.000 13.120 ( 0.000 -0.000 0.000) 0.000 13.210 ( 0.000 -0.000 0.000) 0.000 13.400 ( 0.000 -0.000 0.000) 0.000 13.628 ( 0.000 -0.000 0.000) 0.000 13.945 ( 0.000 -0.000 0.000) 0.000 14.021 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 17.791 0.000 8.100) 19.548 0.725 ( 23.533 0.000 -1.310) 23.569 1.245 ( 29.428 0.000 -4.996) 29.849 1.281 ( 6.618 0.000 1.716) 6.837 1.820 ( 0.896 0.000 6.717) 6.777 1.907 ( 8.789 0.000 -2.378) 9.105 1.989 ( -3.571 -0.000 2.084) 4.134 2.036 ( -0.546 -0.000 1.331) 1.439 2.154 ( -1.707 -0.000 -3.072) 3.514 2.182 ( 6.156 0.000 -0.382) 6.167 2.318 ( 4.392 0.000 2.427) 5.018 2.600 ( 1.961 0.000 -6.579) 6.865 2.821 ( 5.499 0.000 3.410) 6.471 3.165 ( -8.043 -0.000 9.621) 12.540 3.443 ( 2.913 0.000 -1.887) 3.471 4.345 ( 5.935 0.000 -0.757) 5.983 4.582 ( 7.402 0.000 -0.446) 7.415 4.922 ( 4.861 0.000 0.492) 4.886 5.098 ( -1.282 -0.000 -6.281) 6.410 5.152 ( -3.479 -0.000 -0.411) 3.503 5.388 ( 1.862 0.000 9.655) 9.833 6.121 ( 0.544 0.000 -4.539) 4.571 6.925 ( -9.547 -0.000 1.940) 9.743 8.277 ( -6.832 -0.000 -2.465) 7.263 8.807 ( -1.548 -0.000 -1.250) 1.990 9.559 ( -5.422 -0.000 -7.184) 9.001 9.924 ( -0.365 -0.000 -0.148) 0.394 10.022 ( -0.587 -0.000 10.065) 10.082 10.267 ( 8.047 0.000 -3.018) 8.594 10.634 ( 4.231 0.000 -1.981) 4.672 13.112 ( 0.011 0.000 0.204) 0.204 13.243 ( -0.590 -0.000 0.820) 1.010 13.372 ( -0.055 -0.000 1.082) 1.084 13.550 ( 2.026 0.000 0.007) 2.027 13.946 ( -0.024 -0.000 -0.631) 0.632 14.042 ( -0.679 -0.000 0.397) 0.786 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 13.560 -0.634 5.058) 14.487 0.991 ( 21.212 10.709 1.048) 23.785 1.363 ( 2.037 -2.156 1.529) 3.337 1.524 ( 7.945 0.082 -6.259) 10.114 1.858 ( 1.615 1.885 8.554) 8.907 1.936 ( -1.856 1.018 1.623) 2.667 1.981 ( 1.318 -0.551 -1.721) 2.237 2.012 ( -1.172 1.968 -2.404) 3.321 2.085 ( 4.303 5.395 -1.681) 7.103 2.336 ( 4.542 0.707 3.690) 5.895 2.574 ( -0.468 -0.966 -2.656) 2.865 2.684 ( 19.770 -12.148 -3.660) 23.491 2.977 ( 10.012 -7.242 -0.429) 12.363 3.078 ( -5.473 -2.053 7.954) 9.871 3.499 ( 3.307 -1.886 -0.036) 3.807 4.449 ( 5.910 -1.120 -0.523) 6.038 4.682 ( 8.415 3.553 -0.600) 9.153 5.003 ( -0.531 1.738 -0.096) 1.820 5.036 ( 4.687 -1.783 0.074) 5.015 5.169 ( -2.893 -5.915 -2.538) 7.057 5.424 ( 1.293 2.612 5.823) 6.512 6.086 ( -0.687 2.692 -5.724) 6.363 6.746 ( -12.107 1.468 2.870) 12.528 8.140 ( -7.218 1.624 -2.692) 7.873 8.736 ( -5.092 1.695 -0.276) 5.373 9.484 ( -3.617 -2.574 -8.271) 9.387 9.866 ( 1.212 7.099 4.068) 8.271 10.096 ( -1.245 -6.589 6.873) 9.602 10.381 ( 7.619 1.054 -2.435) 8.068 10.700 ( 3.627 -1.027 -1.886) 4.215 13.115 ( 0.292 -0.030 0.292) 0.414 13.232 ( -0.456 0.484 0.030) 0.666 13.379 ( 0.073 -0.441 1.217) 1.297 13.590 ( 2.237 -0.551 0.257) 2.318 13.944 ( 0.156 0.014 -0.789) 0.804 14.031 ( -0.725 0.102 0.553) 0.917 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 4.397 4.113 2.552) 6.540 1.121 ( 20.970 17.587 0.710) 27.378 1.389 ( -4.498 -3.571 0.942) 5.820 1.573 ( 1.578 -0.280 -4.181) 4.478 1.831 ( -4.999 -0.257 3.311) 6.002 1.907 ( -0.286 0.650 2.297) 2.404 1.978 ( 2.119 2.304 -1.104) 3.319 2.029 ( 3.365 -0.095 -0.322) 3.382 2.108 ( 8.288 5.293 -2.129) 10.062 2.382 ( 0.352 -0.361 1.991) 2.054 2.559 ( 0.897 0.269 -4.025) 4.132 2.920 ( 7.847 2.143 3.190) 8.737 2.964 ( -5.437 1.661 6.542) 8.667 3.429 ( 8.024 -8.239 -7.517) 13.739 3.702 ( 14.129 -15.090 2.654) 20.842 4.537 ( 3.651 -0.184 -0.260) 3.664 4.709 ( 3.343 6.462 -0.733) 7.313 4.982 ( -1.219 -1.298 1.987) 2.668 5.171 ( 4.005 -2.901 -0.417) 4.963 5.198 ( 1.038 -2.796 -0.210) 2.990 5.377 ( -1.551 4.927 2.368) 5.682 5.997 ( -1.864 4.153 -4.775) 6.597 6.565 ( -9.305 -0.405 2.592) 9.668 8.014 ( -5.525 0.193 -2.234) 5.962 8.626 ( -6.296 0.269 0.650) 6.335 9.460 ( -2.310 -4.237 -8.625) 9.883 9.812 ( 2.608 7.083 6.049) 9.673 10.183 ( -1.185 -5.819 4.259) 7.307 10.450 ( 5.624 3.197 -2.081) 6.796 10.753 ( 1.666 -0.877 -1.135) 2.198 13.122 ( 0.564 0.121 0.310) 0.655 13.218 ( -0.357 0.458 -0.206) 0.616 13.391 ( 0.129 -0.539 0.852) 1.016 13.628 ( 1.734 0.005 0.489) 1.801 13.946 ( 0.409 0.065 -0.648) 0.769 14.022 ( -0.490 0.014 0.536) 0.726 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.193 4.349 0.300) 4.519 1.181 ( 22.158 22.658 0.002) 31.692 1.320 ( -10.246 -3.056 0.130) 10.693 1.529 ( -7.147 -0.861 -1.211) 7.300 1.801 ( -1.143 -1.281 -0.171) 1.725 1.923 ( 1.595 -0.568 2.361) 2.906 1.971 ( -1.683 -0.159 -0.284) 1.714 2.068 ( 6.592 4.137 -2.780) 8.264 2.163 ( 7.289 5.490 -0.888) 9.168 2.377 ( -1.601 -0.586 -0.815) 1.890 2.569 ( 2.194 0.640 -2.720) 3.552 2.850 ( -5.396 3.308 3.968) 7.470 3.031 ( 7.032 0.850 3.252) 7.794 3.497 ( -0.036 -0.176 -1.945) 1.954 4.027 ( -0.045 -0.533 1.601) 1.688 4.552 ( 0.169 1.849 -0.299) 1.880 4.620 ( -1.971 6.092 0.564) 6.428 4.996 ( 2.167 -0.390 0.616) 2.287 5.156 ( -2.487 0.706 -1.489) 2.983 5.283 ( 1.575 1.830 1.939) 3.097 5.354 ( 3.908 -1.636 -0.809) 4.313 5.913 ( -1.431 1.557 -1.220) 2.441 6.523 ( -1.475 -5.571 0.206) 5.767 7.964 ( -2.653 -3.206 -0.949) 4.268 8.558 ( -4.930 -3.276 1.441) 6.092 9.473 ( -1.509 -5.530 -8.122) 9.941 9.787 ( 3.937 6.604 6.457) 10.040 10.238 ( -2.006 -3.768 2.430) 4.912 10.456 ( 3.644 5.255 -2.274) 6.787 10.763 ( -0.776 0.294 0.099) 0.836 13.129 ( 0.598 0.452 0.258) 0.793 13.208 ( -0.269 0.111 -0.203) 0.354 13.399 ( -0.005 -0.154 0.176) 0.234 13.646 ( 1.127 0.896 0.552) 1.542 13.950 ( 0.439 0.260 -0.234) 0.562 14.020 ( -0.110 -0.208 0.346) 0.419 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.922 4.587 -0.263) 4.686 1.110 ( 1.766 14.934 -3.429) 15.424 1.227 ( 2.453 6.672 -0.153) 7.110 1.426 ( -4.517 0.180 3.060) 5.459 1.791 ( -0.470 0.137 -2.724) 2.768 1.930 ( -2.700 -0.056 -0.056) 2.701 1.986 ( 4.168 -0.316 0.745) 4.245 2.109 ( 6.255 3.928 -1.782) 7.598 2.147 ( 1.209 5.876 -2.298) 6.424 2.351 ( -1.041 0.316 -2.668) 2.882 2.591 ( 2.312 0.856 -0.809) 2.595 2.726 ( -4.587 4.171 1.550) 6.391 3.143 ( 6.398 -0.350 1.676) 6.623 3.433 ( -6.210 6.943 3.872) 10.088 3.702 ( -15.330 16.961 0.506) 22.868 4.496 ( -4.556 2.960 0.667) 5.474 4.514 ( -2.011 4.300 0.699) 4.798 5.038 ( 0.848 1.893 -0.983) 2.295 5.112 ( 0.286 1.617 -3.372) 3.750 5.264 ( -0.816 0.753 0.974) 1.477 5.429 ( 4.119 0.973 0.333) 4.245 5.923 ( 0.164 -3.798 1.749) 4.185 6.663 ( 4.985 -9.557 -1.550) 10.890 8.015 ( 0.152 -6.837 0.414) 6.851 8.573 ( -2.649 -6.437 1.546) 7.130 9.518 ( -0.852 -6.829 -6.442) 9.427 9.792 ( 5.490 5.959 5.924) 10.037 10.224 ( -4.784 -0.609 0.459) 4.844 10.421 ( 3.445 6.158 -2.002) 7.335 10.721 ( -2.892 1.743 1.115) 3.556 13.130 ( 0.441 0.707 0.173) 0.851 13.205 ( -0.279 -0.341 -0.213) 0.489 13.396 ( -0.076 0.330 -0.362) 0.496 13.641 ( 0.560 1.932 0.449) 2.061 13.950 ( 0.234 0.375 0.139) 0.463 14.026 ( 0.193 -0.435 0.109) 0.488 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -7.107 10.765 0.864) 12.929 0.900 ( -1.332 14.342 -5.671) 15.480 1.146 ( -0.132 6.143 0.145) 6.146 1.388 ( 3.583 10.743 3.076) 11.735 1.782 ( 0.223 -0.465 -2.518) 2.570 1.888 ( -3.410 0.594 -0.211) 3.468 2.019 ( -2.871 7.201 -2.748) 8.225 2.062 ( 4.273 -0.141 0.544) 4.309 2.140 ( 3.147 2.188 -1.329) 4.057 2.324 ( -0.590 0.405 -2.641) 2.736 2.536 ( -4.247 7.061 1.686) 8.411 2.665 ( 2.311 0.438 -2.560) 3.476 2.960 ( -16.176 21.569 7.859) 28.083 3.246 ( 4.330 -1.077 -0.320) 4.473 3.476 ( -2.536 3.014 -1.955) 4.397 4.374 ( -5.136 3.140 0.873) 6.083 4.405 ( -2.914 5.392 0.599) 6.158 4.972 ( -1.509 4.301 -0.414) 4.577 5.066 ( -0.026 4.214 -2.120) 4.717 5.252 ( -1.044 -0.435 -0.307) 1.172 5.463 ( 2.785 1.915 0.414) 3.405 5.998 ( 0.110 -4.905 1.719) 5.199 6.886 ( 5.290 -9.507 -1.048) 10.930 8.147 ( 1.569 -9.008 0.794) 9.178 8.647 ( -1.064 -7.035 0.812) 7.161 9.597 ( -0.493 -8.039 -3.133) 8.642 9.834 ( 7.436 4.747 4.373) 9.847 10.111 ( -6.933 2.536 -1.637) 7.561 10.379 ( 2.391 6.443 -0.798) 6.918 10.642 ( -3.088 2.437 1.110) 4.087 13.125 ( 0.236 0.684 0.072) 0.727 13.207 ( -0.302 -0.774 -0.298) 0.883 13.388 ( 0.018 0.541 -0.406) 0.677 13.612 ( 0.022 2.941 0.243) 2.951 13.949 ( 0.068 0.210 0.210) 0.305 14.037 ( 0.241 -0.535 -0.028) 0.587 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 17.357 -0.000) 17.357 0.649 ( 0.000 18.107 -0.000) 18.107 1.066 ( 0.000 33.877 -0.000) 33.877 1.111 ( 0.000 1.122 -0.000) 1.122 1.780 ( 0.000 4.869 -0.000) 4.869 1.789 ( -0.000 -0.508 0.000) 0.508 1.957 ( -0.000 -0.920 0.000) 0.920 2.115 ( -0.000 -0.773 0.000) 0.773 2.134 ( 0.000 1.630 -0.000) 1.630 2.298 ( 0.000 2.031 -0.000) 2.031 2.391 ( 0.000 5.917 -0.000) 5.917 2.595 ( 0.000 11.056 -0.000) 11.056 2.725 ( -0.000 -2.026 0.000) 2.026 3.299 ( -0.000 -0.677 0.000) 0.677 3.405 ( 0.000 3.381 -0.000) 3.381 4.274 ( 0.000 3.202 -0.000) 3.202 4.309 ( 0.000 4.612 -0.000) 4.612 4.900 ( 0.000 3.726 -0.000) 3.726 5.002 ( 0.000 3.535 -0.000) 3.535 5.244 ( -0.000 -0.113 0.000) 0.113 5.465 ( 0.000 1.441 -0.000) 1.441 6.062 ( -0.000 -3.735 0.000) 3.735 7.049 ( -0.000 -6.932 0.000) 6.932 8.290 ( -0.000 -8.143 0.000) 8.143 8.727 ( -0.000 -5.198 0.000) 5.198 9.703 ( -0.000 -8.293 0.000) 8.293 9.894 ( 0.000 2.828 -0.000) 2.828 9.969 ( 0.000 3.136 -0.000) 3.136 10.296 ( 0.000 7.425 -0.000) 7.425 10.586 ( 0.000 1.945 -0.000) 1.945 13.119 ( 0.000 0.475 -0.000) 0.475 13.217 ( -0.000 -1.061 0.000) 1.061 13.381 ( 0.000 0.483 -0.000) 0.483 13.568 ( 0.000 3.107 -0.000) 3.107 13.948 ( 0.000 0.008 -0.000) 0.008 14.046 ( -0.000 -0.448 0.000) 0.448 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 8.810 0.000 6.236) 10.793 1.271 ( -3.055 -0.000 0.693) 3.133 1.408 ( 14.194 0.000 1.600) 14.284 1.579 ( 0.500 0.000 -4.309) 4.338 1.841 ( -6.248 -0.000 1.327) 6.387 1.921 ( -1.727 -0.000 2.173) 2.776 2.001 ( 1.136 0.000 1.963) 2.268 2.068 ( 7.185 0.000 -2.100) 7.486 2.205 ( 4.429 0.000 2.506) 5.089 2.437 ( -1.860 -0.000 1.860) 2.630 2.644 ( 10.059 0.000 -12.532) 16.070 2.949 ( 26.674 0.000 -4.436) 27.040 2.996 ( -1.824 -0.000 9.968) 10.134 3.049 ( 5.688 0.000 2.597) 6.253 3.550 ( 5.469 0.000 1.682) 5.722 4.532 ( 5.237 0.000 0.261) 5.243 4.841 ( 7.828 0.000 1.204) 7.920 4.958 ( -5.677 -0.000 -2.609) 6.247 5.087 ( 0.654 0.000 -1.427) 1.569 5.142 ( 8.339 0.000 0.773) 8.375 5.477 ( -0.070 -0.000 4.859) 4.859 6.063 ( -2.226 -0.000 -7.319) 7.650 6.558 ( -13.631 -0.000 3.983) 14.201 8.018 ( -7.956 -0.000 -2.804) 8.436 8.631 ( -8.942 -0.000 0.482) 8.955 9.398 ( -1.904 -0.000 -8.940) 9.140 9.985 ( 4.049 0.000 -0.058) 4.050 10.030 ( -1.983 -0.000 10.520) 10.705 10.499 ( 6.666 0.000 -2.032) 6.969 10.735 ( 2.305 0.000 -1.589) 2.799 13.125 ( 0.769 0.000 0.422) 0.877 13.226 ( -0.492 -0.000 -0.335) 0.595 13.381 ( 0.185 0.000 1.279) 1.292 13.628 ( 2.455 0.000 0.693) 2.551 13.947 ( 0.578 0.000 -0.909) 1.077 14.022 ( -0.695 -0.000 0.757) 1.028 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -7.173 -0.481 0.704) 7.223 1.241 ( 0.187 1.651 3.974) 4.307 1.522 ( -6.857 0.193 -2.036) 7.155 1.604 ( 13.613 5.047 1.018) 14.554 1.769 ( -0.850 -0.374 -0.604) 1.108 1.913 ( -0.388 -0.308 2.685) 2.730 1.989 ( -1.546 0.689 -0.462) 1.755 2.175 ( 8.831 3.623 0.269) 9.549 2.293 ( 5.520 -0.333 1.494) 5.728 2.374 ( -4.096 1.294 1.422) 4.525 2.704 ( 13.079 10.461 -11.321) 20.215 2.923 ( -4.650 1.450 8.516) 9.810 3.086 ( 5.207 3.222 3.081) 6.854 3.416 ( 7.763 -7.439 -7.874) 13.327 3.789 ( 18.614 -8.669 4.341) 20.988 4.599 ( 3.218 0.792 0.402) 3.339 4.806 ( -3.544 5.805 -1.436) 6.951 4.974 ( 3.302 -1.735 2.458) 4.467 5.136 ( 2.184 -2.154 -1.224) 3.302 5.284 ( 8.051 -1.026 0.763) 8.151 5.424 ( -3.371 5.263 2.919) 6.898 5.979 ( -3.542 1.577 -6.886) 7.903 6.388 ( -10.652 -3.162 3.940) 11.789 7.899 ( -6.517 -1.266 -2.460) 7.080 8.491 ( -9.315 -1.318 1.203) 9.484 9.362 ( -1.300 -2.133 -8.195) 8.567 9.965 ( 2.411 5.932 5.630) 8.526 10.118 ( 1.123 -4.816 3.066) 5.818 10.567 ( 4.603 2.365 -1.639) 5.429 10.757 ( 0.488 -0.434 -0.924) 1.132 13.139 ( 1.039 0.222 0.429) 1.146 13.216 ( -0.402 0.281 -0.399) 0.632 13.391 ( 0.228 -0.286 0.946) 1.014 13.663 ( 1.806 0.309 0.862) 2.025 13.956 ( 0.978 0.164 -0.728) 1.230 14.015 ( -0.463 -0.082 0.733) 0.871 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -8.331 -1.640 -0.072) 8.491 1.191 ( -1.527 3.406 1.905) 4.191 1.358 ( -11.259 0.342 -1.666) 11.386 1.708 ( 11.085 7.787 1.949) 13.686 1.802 ( 3.047 0.993 -0.896) 3.328 1.930 ( -0.881 -0.156 0.636) 1.097 1.957 ( 0.752 -0.520 1.091) 1.423 2.237 ( 4.973 3.967 -1.862) 6.628 2.295 ( -1.730 2.532 1.924) 3.620 2.372 ( 3.615 0.644 -0.828) 3.764 2.709 ( 9.970 10.289 -9.007) 16.924 2.856 ( -1.326 4.343 5.632) 7.234 3.136 ( 3.281 0.312 3.424) 4.753 3.491 ( 0.753 -0.530 -3.134) 3.267 4.077 ( 3.246 5.268 3.204) 6.968 4.595 ( -0.007 3.796 0.015) 3.796 4.666 ( -3.022 5.603 -0.369) 6.377 5.041 ( 3.765 -0.621 1.202) 4.000 5.157 ( 0.924 2.169 -0.912) 2.528 5.320 ( -1.380 2.675 0.971) 3.163 5.416 ( 5.962 -1.258 0.506) 6.114 5.888 ( -3.290 0.668 -2.762) 4.347 6.374 ( -3.411 -9.986 1.045) 10.604 7.850 ( -3.714 -4.476 -1.446) 5.994 8.409 ( -6.651 -4.766 1.620) 8.341 9.364 ( -1.046 -3.967 -6.352) 7.561 9.951 ( 3.511 5.139 5.327) 8.192 10.183 ( -0.253 -2.119 0.814) 2.284 10.573 ( 3.122 4.336 -1.537) 5.560 10.751 ( -1.329 0.385 0.111) 1.388 13.150 ( 0.880 0.652 0.332) 1.144 13.205 ( -0.292 0.263 -0.280) 0.483 13.399 ( 0.110 -0.119 0.368) 0.403 13.680 ( 1.121 0.844 0.709) 1.572 13.965 ( 0.855 0.574 -0.333) 1.082 14.015 ( -0.162 -0.300 0.491) 0.598 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -7.992 0.130 -0.193) 7.995 1.142 ( 0.761 4.012 0.291) 4.094 1.184 ( -8.687 0.262 -1.223) 8.777 1.762 ( 6.137 4.952 1.672) 8.061 1.806 ( 5.051 6.139 0.073) 7.950 1.896 ( -1.238 0.803 -0.144) 1.483 2.030 ( 3.111 -1.973 1.247) 3.889 2.164 ( -5.041 2.437 -2.465) 6.118 2.293 ( 5.367 5.583 0.865) 7.793 2.375 ( 1.051 3.483 -2.844) 4.618 2.686 ( 3.359 4.450 -3.704) 6.694 2.788 ( 3.643 10.256 0.786) 10.912 3.197 ( 1.232 -1.978 2.366) 3.321 3.476 ( 0.423 3.479 0.675) 3.569 3.741 ( -13.200 23.825 2.737) 27.375 4.504 ( -2.272 5.533 -0.083) 5.982 4.565 ( -0.875 5.502 0.224) 5.576 5.084 ( 0.846 2.961 -0.296) 3.094 5.166 ( 4.510 1.351 -3.284) 5.740 5.267 ( -2.342 2.515 2.292) 4.131 5.496 ( 2.890 0.182 0.292) 2.910 5.871 ( -0.874 -3.518 0.297) 3.638 6.542 ( 1.483 -14.358 -0.671) 14.450 7.899 ( -1.085 -7.929 -0.286) 8.008 8.428 ( -2.857 -7.855 1.172) 8.440 9.403 ( -0.583 -5.658 -3.564) 6.712 9.964 ( 4.536 4.197 4.017) 7.371 10.163 ( -3.145 1.246 -0.878) 3.495 10.548 ( 2.810 5.220 -1.211) 6.051 10.705 ( -2.419 1.825 0.776) 3.128 13.150 ( 0.441 0.979 0.180) 1.089 13.198 ( -0.211 0.075 -0.160) 0.275 13.399 ( 0.016 0.214 -0.040) 0.219 13.678 ( 0.553 1.604 0.373) 1.737 13.964 ( 0.346 0.842 -0.032) 0.911 14.021 ( 0.032 -0.525 0.185) 0.557 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 3.617 -0.000) 3.617 1.042 ( 0.000 9.702 -0.000) 9.702 1.124 ( -0.000 -0.540 0.000) 0.540 1.757 ( 0.000 10.316 -0.000) 10.316 1.783 ( 0.000 4.864 -0.000) 4.864 1.852 ( 0.000 0.450 -0.000) 0.450 2.041 ( 0.000 3.642 -0.000) 3.642 2.101 ( -0.000 -1.097 0.000) 1.097 2.263 ( 0.000 8.414 -0.000) 8.414 2.317 ( 0.000 1.475 -0.000) 1.475 2.649 ( 0.000 9.705 -0.000) 9.705 2.689 ( 0.000 2.670 -0.000) 2.670 3.145 ( 0.000 20.797 -0.000) 20.797 3.281 ( 0.000 5.276 -0.000) 5.276 3.482 ( 0.000 1.692 -0.000) 1.692 4.402 ( 0.000 5.650 -0.000) 5.650 4.471 ( 0.000 6.425 -0.000) 6.425 5.027 ( 0.000 4.818 -0.000) 4.818 5.141 ( 0.000 5.998 -0.000) 5.998 5.237 ( -0.000 -0.497 0.000) 0.497 5.507 ( 0.000 1.250 -0.000) 1.250 5.932 ( -0.000 -5.064 0.000) 5.064 6.760 ( -0.000 -13.573 0.000) 13.573 8.020 ( -0.000 -9.981 0.000) 9.981 8.527 ( -0.000 -8.517 0.000) 8.517 9.482 ( -0.000 -7.071 0.000) 7.071 9.980 ( 0.000 2.953 -0.000) 2.953 10.072 ( 0.000 3.928 -0.000) 3.928 10.493 ( 0.000 6.266 -0.000) 6.266 10.651 ( 0.000 2.436 -0.000) 2.436 13.140 ( 0.000 0.965 -0.000) 0.965 13.197 ( -0.000 -0.256 0.000) 0.256 13.394 ( 0.000 0.426 -0.000) 0.426 13.654 ( 0.000 2.580 -0.000) 2.580 13.955 ( 0.000 0.610 -0.000) 0.610 14.030 ( -0.000 -0.623 0.000) 0.623 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -8.299 -0.000 1.071) 8.368 1.251 ( -3.863 -0.000 1.232) 4.055 1.376 ( -9.827 -0.000 -0.405) 9.836 1.785 ( 2.982 0.000 -0.797) 3.086 1.807 ( 8.791 0.000 0.942) 8.842 1.923 ( 1.249 0.000 2.322) 2.637 1.963 ( -1.950 -0.000 -1.050) 2.215 2.286 ( -5.037 -0.000 0.038) 5.037 2.346 ( 7.654 0.000 0.905) 7.707 2.347 ( 1.108 0.000 3.056) 3.251 2.894 ( -3.297 -0.000 6.853) 7.605 2.973 ( 11.926 0.000 -9.910) 15.506 3.176 ( 1.926 0.000 1.833) 2.659 3.439 ( 4.268 0.000 -5.818) 7.216 4.095 ( 23.941 0.000 2.681) 24.091 4.650 ( 2.072 0.000 0.384) 2.108 4.758 ( -5.163 -0.000 -1.355) 5.338 5.034 ( 3.026 0.000 3.420) 4.567 5.189 ( 5.521 0.000 -0.567) 5.550 5.374 ( -1.400 -0.000 0.716) 1.573 5.422 ( 1.189 0.000 3.006) 3.232 5.892 ( -4.776 -0.000 -8.879) 10.082 6.210 ( -9.121 -0.000 5.229) 10.513 7.785 ( -5.156 -0.000 -2.161) 5.590 8.337 ( -8.522 -0.000 1.239) 8.612 9.307 ( -1.059 -0.000 -6.121) 6.212 10.048 ( -0.292 -0.000 6.698) 6.704 10.129 ( 4.398 0.000 -0.644) 4.445 10.640 ( 2.932 0.000 -1.016) 3.103 10.751 ( -0.549 -0.000 -0.644) 0.846 13.160 ( 1.101 0.000 0.378) 1.164 13.211 ( -0.316 -0.000 -0.379) 0.493 13.396 ( 0.262 0.000 0.761) 0.805 13.691 ( 1.111 0.000 0.808) 1.373 13.974 ( 1.246 0.000 -0.535) 1.356 14.011 ( -0.313 -0.000 0.656) 0.726 ======================= Grid point 29 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.511 -0.682 0.613) 5.587 1.153 ( -6.963 -0.186 -0.848) 7.017 1.253 ( -3.419 1.928 0.618) 3.973 1.814 ( 1.826 1.750 0.035) 2.529 1.919 ( 1.036 0.738 -0.841) 1.525 1.925 ( 2.804 -0.047 0.449) 2.840 1.974 ( 3.163 -0.822 1.768) 3.716 2.193 ( -6.009 0.141 -0.247) 6.016 2.374 ( 1.609 -0.020 1.059) 1.926 2.431 ( 3.589 1.725 0.409) 4.003 2.843 ( -1.567 3.781 2.534) 4.814 3.067 ( 9.325 5.571 -6.062) 12.439 3.176 ( 0.008 2.170 2.386) 3.225 3.480 ( 0.750 -1.383 -2.361) 2.837 4.335 ( 10.066 14.204 1.758) 17.497 4.645 ( -0.626 3.685 -0.005) 3.737 4.680 ( -1.464 1.991 -0.350) 2.496 5.086 ( 2.835 -1.659 1.219) 3.504 5.219 ( -0.178 3.326 -0.277) 3.343 5.311 ( -1.226 -1.365 1.732) 2.523 5.488 ( 3.537 0.160 0.703) 3.610 5.811 ( -3.691 -1.332 -4.530) 5.993 6.177 ( -3.762 -8.882 2.229) 9.900 7.740 ( -2.451 -3.040 -1.151) 4.071 8.258 ( -4.674 -3.557 0.921) 5.945 9.293 ( -0.687 -2.062 -3.287) 3.940 10.051 ( 0.927 1.757 3.556) 4.073 10.183 ( 1.668 0.256 -0.507) 1.762 10.655 ( 1.687 2.228 -0.698) 2.881 10.736 ( -1.101 0.359 -0.029) 1.158 13.172 ( 0.656 0.482 0.212) 0.841 13.204 ( -0.173 0.217 -0.197) 0.341 13.401 ( 0.133 -0.022 0.328) 0.355 13.703 ( 0.508 0.334 0.452) 0.758 13.986 ( 0.766 0.551 -0.220) 0.969 14.010 ( -0.120 -0.215 0.348) 0.427 ======================= Grid point 30 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 0.121 -0.000) 0.121 1.094 ( -0.000 -0.693 0.000) 0.693 1.205 ( 0.000 2.622 -0.000) 2.622 1.798 ( 0.000 1.869 -0.000) 1.869 1.884 ( 0.000 1.750 -0.000) 1.750 1.973 ( 0.000 1.207 -0.000) 1.207 2.042 ( -0.000 -2.120 0.000) 2.120 2.110 ( 0.000 1.611 -0.000) 1.611 2.394 ( 0.000 0.187 -0.000) 0.187 2.414 ( 0.000 4.180 -0.000) 4.180 2.765 ( 0.000 5.641 -0.000) 5.641 3.031 ( 0.000 11.905 -0.000) 11.905 3.170 ( -0.000 -2.154 0.000) 2.154 3.495 ( -0.000 -0.649 0.000) 0.649 4.041 ( 0.000 29.840 -0.000) 29.840 4.566 ( 0.000 5.561 -0.000) 5.561 4.630 ( 0.000 4.266 -0.000) 4.266 5.130 ( 0.000 1.610 -0.000) 1.610 5.212 ( -0.000 -1.256 0.000) 1.256 5.292 ( 0.000 3.568 -0.000) 3.568 5.519 ( -0.000 -0.307 0.000) 0.307 5.807 ( -0.000 -3.426 0.000) 3.426 6.333 ( -0.000 -15.261 0.000) 15.261 7.785 ( -0.000 -6.210 0.000) 6.210 8.298 ( -0.000 -6.900 0.000) 6.900 9.325 ( -0.000 -3.997 0.000) 3.997 10.046 ( 0.000 1.657 -0.000) 1.657 10.168 ( 0.000 2.591 -0.000) 2.591 10.632 ( 0.000 3.484 -0.000) 3.484 10.709 ( 0.000 1.528 -0.000) 1.528 13.168 ( 0.000 0.905 -0.000) 0.905 13.199 ( 0.000 0.273 -0.000) 0.273 13.402 ( 0.000 0.106 -0.000) 0.106 13.700 ( 0.000 0.823 -0.000) 0.823 13.981 ( 0.000 0.996 -0.000) 0.996 14.014 ( -0.000 -0.434 0.000) 0.434 ======================= Grid point 38 (21/129) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.000 -0.000 0.000) 0.000 1.086 ( -0.000 -0.000 0.000) 0.000 1.238 ( -0.000 -0.000 0.000) 0.000 1.849 ( -0.000 -0.000 0.000) 0.000 1.919 ( -0.000 -0.000 0.000) 0.000 1.938 ( -0.000 -0.000 0.000) 0.000 2.026 ( -0.000 -0.000 0.000) 0.000 2.127 ( -0.000 -0.000 0.000) 0.000 2.381 ( -0.000 -0.000 0.000) 0.000 2.480 ( -0.000 -0.000 0.000) 0.000 2.861 ( -0.000 -0.000 0.000) 0.000 3.136 ( -0.000 -0.000 0.000) 0.000 3.221 ( -0.000 -0.000 0.000) 0.000 3.471 ( -0.000 -0.000 0.000) 0.000 4.604 ( -0.000 -0.000 0.000) 0.000 4.668 ( -0.000 -0.000 0.000) 0.000 4.681 ( -0.000 -0.000 0.000) 0.000 5.081 ( -0.000 -0.000 0.000) 0.000 5.186 ( -0.000 -0.000 0.000) 0.000 5.315 ( -0.000 -0.000 0.000) 0.000 5.521 ( -0.000 -0.000 0.000) 0.000 5.758 ( -0.000 -0.000 0.000) 0.000 6.079 ( -0.000 -0.000 0.000) 0.000 7.696 ( -0.000 -0.000 0.000) 0.000 8.194 ( -0.000 -0.000 0.000) 0.000 9.268 ( -0.000 -0.000 0.000) 0.000 10.070 ( -0.000 -0.000 0.000) 0.000 10.205 ( -0.000 -0.000 0.000) 0.000 10.681 ( -0.000 -0.000 0.000) 0.000 10.731 ( -0.000 -0.000 0.000) 0.000 13.182 ( -0.000 -0.000 0.000) 0.000 13.204 ( -0.000 -0.000 0.000) 0.000 13.403 ( -0.000 -0.000 0.000) 0.000 13.710 ( -0.000 -0.000 0.000) 0.000 13.997 ( -0.000 -0.000 0.000) 0.000 14.008 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -0.494 -0.000 20.043) 20.049 0.449 ( -8.956 -0.000 22.735) 24.436 0.788 ( -7.125 -0.000 38.519) 39.172 1.106 ( 1.989 0.000 1.068) 2.257 1.702 ( 0.755 0.000 -1.231) 1.444 1.810 ( 0.479 0.000 1.175) 1.269 2.065 ( 2.116 0.000 -2.116) 2.993 2.134 ( -2.847 -0.000 -1.312) 3.135 2.148 ( -0.390 -0.000 -2.417) 2.449 2.303 ( 5.016 0.000 -1.625) 5.273 2.470 ( -3.122 -0.000 2.970) 4.309 2.489 ( -4.924 -0.000 0.117) 4.926 2.789 ( 0.508 0.000 2.331) 2.386 3.209 ( 5.021 0.000 -8.344) 9.738 3.691 ( -1.682 -0.000 6.703) 6.911 4.230 ( -0.842 -0.000 -0.978) 1.291 4.246 ( 17.074 0.000 -0.542) 17.082 4.456 ( -0.557 -0.000 0.173) 0.584 4.841 ( 0.158 0.000 -0.309) 0.347 5.198 ( 0.746 0.000 -2.985) 3.076 5.375 ( 3.700 0.000 1.608) 4.035 6.015 ( -1.247 -0.000 -9.580) 9.661 7.157 ( -0.448 -0.000 7.647) 7.660 8.334 ( -0.374 -0.000 -7.761) 7.771 8.941 ( -3.833 -0.000 3.009) 4.873 9.653 ( -3.679 -0.000 -8.573) 9.329 9.912 ( -1.853 -0.000 1.508) 2.389 9.957 ( 5.834 0.000 3.050) 6.584 10.185 ( -1.737 -0.000 3.629) 4.024 10.547 ( -0.368 -0.000 -1.033) 1.097 13.124 ( -0.165 -0.000 1.211) 1.222 13.300 ( 0.653 0.000 0.799) 1.032 13.356 ( 0.947 0.000 -1.409) 1.698 13.502 ( 0.212 0.000 -1.357) 1.374 13.945 ( -0.357 -0.000 -0.298) 0.465 14.039 ( 0.490 0.000 -1.339) 1.426 ======================= Grid point 68 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 3.165 -6.713 16.235) 17.851 0.751 ( 15.988 -10.215 11.049) 21.956 1.004 ( 6.604 -8.239 20.282) 22.866 1.216 ( 8.238 -2.335 1.477) 8.689 1.786 ( 7.070 -4.081 0.669) 8.191 1.836 ( 2.279 0.181 1.018) 2.503 2.035 ( -1.506 2.173 -2.345) 3.534 2.068 ( -2.501 1.528 -0.502) 2.973 2.208 ( 2.135 -5.539 -0.257) 5.942 2.292 ( -7.482 1.014 8.273) 11.200 2.353 ( 0.355 -0.692 0.930) 1.212 2.505 ( 2.531 -4.505 -0.608) 5.203 2.785 ( 1.723 3.228 1.003) 3.794 3.258 ( 1.979 -1.996 -4.278) 5.119 3.561 ( -5.178 2.337 11.612) 12.927 4.262 ( 3.149 -2.263 -1.702) 4.235 4.386 ( 9.875 6.691 -1.194) 11.988 4.799 ( 12.244 -10.176 -13.274) 20.728 4.879 ( 2.700 -2.330 -0.401) 3.589 5.209 ( -1.654 -3.650 -3.258) 5.165 5.424 ( 2.730 1.370 1.517) 3.410 5.958 ( -0.374 1.560 -11.774) 11.883 7.126 ( -5.673 1.781 7.829) 9.831 8.245 ( -3.629 3.881 -8.341) 9.890 8.853 ( -2.862 4.066 5.105) 7.126 9.567 ( -6.187 -2.591 -8.064) 10.489 9.877 ( 0.159 4.608 2.392) 5.194 10.088 ( 7.830 -1.686 1.188) 8.097 10.226 ( -0.408 -5.092 3.732) 6.327 10.562 ( 1.985 -0.927 -1.551) 2.684 13.126 ( -0.233 -0.099 1.225) 1.251 13.275 ( -1.079 1.732 1.501) 2.533 13.368 ( 0.770 -0.290 -1.169) 1.429 13.523 ( 1.121 -1.613 -1.406) 2.416 13.939 ( -0.317 -0.047 -0.509) 0.601 14.038 ( 0.151 0.231 -1.066) 1.101 ======================= Grid point 69 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 2.084 -6.198 12.852) 14.420 1.090 ( 5.733 -6.168 16.457) 18.486 1.224 ( 10.852 0.042 0.595) 10.868 1.346 ( 7.083 -0.075 -3.433) 7.872 1.867 ( 1.693 0.734 0.968) 2.084 1.918 ( 1.493 -1.960 0.009) 2.464 1.992 ( -1.851 -0.790 -2.117) 2.921 2.008 ( -2.248 1.391 -0.096) 2.645 2.177 ( -5.314 0.079 8.866) 10.337 2.379 ( 1.328 -1.015 1.469) 2.225 2.460 ( 5.237 -5.426 -4.841) 8.961 2.695 ( 5.432 -8.501 3.980) 10.845 2.846 ( 13.658 -8.105 -4.124) 16.409 3.246 ( -4.099 1.771 3.275) 5.538 3.570 ( 1.389 -3.507 7.667) 8.545 4.364 ( 5.315 -2.861 -1.808) 6.301 4.469 ( 8.416 2.108 -1.560) 8.815 4.969 ( 3.326 -2.665 -0.606) 4.305 4.983 ( 4.721 -5.349 -5.637) 9.092 5.228 ( -2.120 -4.638 -3.540) 6.208 5.428 ( 0.922 3.418 2.325) 4.235 5.890 ( 0.212 2.516 -11.926) 12.190 6.982 ( -9.249 4.906 8.983) 13.796 8.092 ( -3.895 4.733 -8.339) 10.350 8.765 ( -1.801 5.318 3.451) 6.590 9.496 ( -5.821 -4.416 -7.580) 10.528 9.818 ( 0.879 5.767 3.989) 7.067 10.227 ( 6.477 -0.776 -0.717) 6.563 10.301 ( -1.242 -5.476 4.568) 7.238 10.624 ( 3.760 -1.856 -2.398) 4.830 13.127 ( -0.214 -0.107 1.172) 1.196 13.246 ( -0.731 1.029 1.511) 1.969 13.379 ( 0.574 -0.330 -1.169) 1.344 13.564 ( 1.473 -1.635 -1.639) 2.744 13.935 ( -0.168 -0.257 -0.466) 0.558 14.031 ( -0.059 0.443 -0.760) 0.882 ======================= Grid point 70 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -1.962 -3.356 13.022) 13.590 1.154 ( -2.458 2.636 8.790) 9.500 1.392 ( 9.834 1.306 -0.734) 9.948 1.464 ( 5.392 -3.169 -1.318) 6.392 1.871 ( 0.554 0.905 0.340) 1.114 1.929 ( -0.511 2.740 -0.820) 2.905 1.962 ( -3.044 -3.231 -1.510) 4.689 1.992 ( 0.832 -0.729 1.033) 1.513 2.126 ( -5.347 -1.164 5.463) 7.732 2.411 ( 0.230 -0.067 1.088) 1.114 2.504 ( -0.842 -2.766 -3.861) 4.823 2.806 ( 8.500 2.907 -0.159) 8.985 3.116 ( -6.295 4.267 6.537) 10.029 3.337 ( 11.512 -14.415 -3.862) 18.848 3.756 ( 9.346 -10.529 4.444) 14.764 4.478 ( 4.264 -2.585 -1.114) 5.109 4.554 ( 5.418 1.520 -1.239) 5.762 5.011 ( -0.683 -0.411 -1.933) 2.091 5.123 ( 5.163 -4.371 -1.708) 6.977 5.231 ( -2.501 -1.103 -2.266) 3.550 5.368 ( -1.992 3.085 0.403) 3.694 5.836 ( 1.098 1.429 -8.612) 8.799 6.786 ( -8.802 5.281 9.502) 13.987 7.969 ( -1.605 2.301 -7.927) 8.409 8.684 ( -0.786 4.115 3.149) 5.241 9.461 ( -4.785 -5.917 -7.821) 10.912 9.774 ( 1.841 5.661 5.293) 7.966 10.288 ( 2.914 1.392 -2.111) 3.858 10.373 ( -0.871 -4.244 5.094) 6.687 10.701 ( 3.304 -1.836 -2.472) 4.517 13.129 ( -0.120 -0.010 1.046) 1.053 13.231 ( -0.531 0.396 1.514) 1.653 13.385 ( 0.315 -0.013 -1.527) 1.559 13.597 ( 1.242 -0.712 -1.792) 2.294 13.939 ( 0.032 -0.504 -0.167) 0.532 14.021 ( -0.031 0.518 -0.612) 0.803 ======================= Grid point 71 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -3.706 -1.700 13.417) 14.023 1.097 ( -1.994 1.991 6.012) 6.640 1.449 ( 0.133 1.055 -0.577) 1.210 1.556 ( -0.393 -3.436 -1.836) 3.915 1.835 ( -1.829 4.295 -0.278) 4.676 1.903 ( 3.335 1.292 -1.720) 3.969 1.952 ( -2.781 -2.151 0.677) 3.581 2.034 ( 2.290 -0.247 0.013) 2.303 2.074 ( -4.676 -0.893 4.137) 6.307 2.382 ( -2.130 1.191 -1.494) 2.861 2.539 ( 0.709 -3.150 -1.433) 3.533 2.875 ( 4.636 4.334 -4.297) 7.664 2.985 ( -2.972 3.365 7.942) 9.123 3.520 ( 0.731 -3.352 1.381) 3.699 4.040 ( 2.888 -1.653 0.672) 3.395 4.537 ( -0.101 -1.429 -0.430) 1.496 4.581 ( 1.266 1.044 -0.135) 1.647 4.938 ( -1.666 3.457 -4.370) 5.816 5.162 ( -3.661 0.592 -2.748) 4.616 5.235 ( 4.415 0.098 -0.243) 4.422 5.331 ( -1.031 -0.399 -0.633) 1.274 5.852 ( 2.369 -3.060 -5.213) 6.492 6.664 ( -2.842 1.614 8.615) 9.214 7.943 ( 1.725 -1.777 -6.836) 7.271 8.659 ( 0.809 0.708 3.801) 3.950 9.462 ( -3.461 -7.047 -8.342) 11.456 9.749 ( 2.698 5.390 6.002) 8.506 10.284 ( 2.516 4.283 -2.153) 5.414 10.403 ( -3.620 -3.008 3.849) 6.080 10.751 ( 1.182 -0.774 -1.595) 2.131 13.129 ( -0.062 0.215 0.932) 0.959 13.227 ( -0.416 -0.174 1.660) 1.720 13.379 ( 0.045 0.519 -2.032) 2.097 13.610 ( 0.768 0.385 -1.844) 2.034 13.947 ( 0.066 -0.481 0.241) 0.542 14.014 ( 0.235 0.407 -0.720) 0.860 ======================= Grid point 72 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -5.761 0.062 13.301) 14.495 1.062 ( -3.256 2.431 6.434) 7.610 1.378 ( -7.924 -0.354 -0.171) 7.934 1.538 ( -5.292 -2.527 -2.780) 6.490 1.743 ( -0.839 3.461 -1.921) 4.046 1.911 ( 0.202 1.037 -1.401) 1.755 1.978 ( 2.493 -0.014 1.826) 3.090 2.037 ( -1.243 0.250 1.306) 1.820 2.061 ( -0.114 -1.258 1.632) 2.064 2.315 ( -2.333 2.126 -3.224) 4.511 2.590 ( 1.519 -1.538 -0.164) 2.168 2.772 ( -6.430 2.766 -0.161) 7.002 3.012 ( 7.028 3.714 0.471) 7.963 3.541 ( -1.882 -0.984 4.071) 4.592 3.730 ( -18.529 22.382 4.746) 29.442 4.528 ( -2.471 2.144 1.359) 3.543 4.574 ( -4.354 -3.242 -0.802) 5.488 4.913 ( 2.774 0.929 -8.080) 8.593 5.068 ( -4.723 2.524 -2.629) 5.966 5.274 ( 1.597 0.293 0.897) 1.855 5.326 ( 1.883 1.870 -2.842) 3.888 5.945 ( 2.209 -5.912 -4.542) 7.776 6.722 ( 4.978 -3.506 7.298) 9.504 8.022 ( 4.287 -4.962 -5.627) 8.641 8.709 ( 1.581 -2.825 4.516) 5.556 9.501 ( -1.478 -8.055 -8.578) 11.860 9.747 ( 3.737 4.766 6.206) 8.671 10.229 ( 1.412 7.430 -2.150) 7.863 10.375 ( -5.296 -2.227 2.688) 6.343 10.745 ( -1.608 0.716 -0.643) 1.874 13.127 ( -0.021 0.386 0.962) 1.037 13.231 ( -0.443 -0.625 1.812) 1.968 13.363 ( 0.098 0.850 -2.368) 2.518 13.599 ( 0.180 1.365 -1.833) 2.293 13.954 ( -0.096 -0.252 0.491) 0.560 14.014 ( 0.596 0.161 -1.009) 1.182 ======================= Grid point 73 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -10.556 2.048 14.305) 17.896 0.899 ( -10.027 9.279 8.682) 16.187 1.233 ( -10.691 -0.437 1.661) 10.828 1.451 ( -8.024 0.460 -1.026) 8.102 1.729 ( 1.863 0.236 -1.688) 2.525 1.919 ( 2.377 -0.831 -2.022) 3.230 1.946 ( -4.766 2.202 2.574) 5.847 2.064 ( 1.927 -1.629 0.226) 2.533 2.095 ( 0.407 -2.187 3.638) 4.264 2.242 ( -0.063 3.249 -3.669) 4.902 2.555 ( -5.183 6.798 -2.216) 8.831 2.680 ( -3.403 -3.125 3.875) 6.030 3.041 ( -3.569 11.122 1.839) 11.824 3.114 ( -7.001 15.992 0.646) 17.469 3.534 ( -2.295 -0.705 6.638) 7.059 4.423 ( -4.910 4.136 1.499) 6.592 4.505 ( -9.248 -3.017 -0.739) 9.755 4.890 ( -0.210 2.549 -11.797) 12.071 4.948 ( -3.525 2.836 -1.039) 4.642 5.280 ( -1.016 0.905 -1.207) 1.819 5.314 ( 3.974 4.150 -2.669) 6.335 6.027 ( 0.348 -4.639 -5.629) 7.303 6.919 ( 8.057 -4.822 6.604) 11.480 8.162 ( 5.249 -6.017 -5.473) 9.681 8.798 ( 0.663 -4.780 5.215) 7.105 9.590 ( 1.388 -8.250 -8.288) 11.776 9.776 ( 4.758 3.089 5.894) 8.181 10.106 ( -2.110 7.904 -1.847) 8.387 10.325 ( -3.785 0.125 1.857) 4.218 10.681 ( -3.856 1.660 -0.288) 4.208 13.125 ( -0.004 0.368 1.066) 1.127 13.240 ( -0.507 -0.916 2.051) 2.303 13.349 ( 0.599 0.715 -2.311) 2.492 13.567 ( -0.427 2.057 -1.704) 2.705 13.954 ( -0.257 -0.094 0.411) 0.494 14.021 ( 0.829 -0.063 -1.298) 1.541 ======================= Grid point 74 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -14.040 1.193 18.954) 23.618 0.600 ( -12.462 9.350 14.141) 21.041 1.066 ( -12.704 6.266 14.081) 19.973 1.196 ( -13.822 7.840 3.955) 16.375 1.732 ( -0.133 1.819 -2.134) 2.807 1.828 ( -5.623 -0.565 1.876) 5.954 1.998 ( 4.531 -1.810 -1.544) 5.118 2.120 ( 0.532 -2.464 -2.485) 3.539 2.173 ( 4.142 -1.836 2.480) 5.165 2.242 ( 4.498 -1.974 4.277) 6.513 2.330 ( -3.223 7.976 3.322) 9.222 2.624 ( -8.210 3.449 1.844) 9.094 2.772 ( -0.856 0.746 2.182) 2.460 3.128 ( 8.236 3.202 -6.102) 10.738 3.543 ( -0.681 -1.406 11.726) 11.830 4.296 ( -4.334 3.031 0.322) 5.298 4.380 ( -13.391 -5.084 -3.371) 14.715 4.719 ( -5.270 11.677 -16.695) 21.044 4.875 ( -2.220 1.830 -0.883) 3.009 5.223 ( 1.549 4.825 -4.218) 6.593 5.327 ( 2.675 1.297 1.319) 3.252 6.047 ( -1.181 -2.187 -7.315) 7.726 7.096 ( 5.086 -1.566 6.343) 8.279 8.296 ( 3.805 -4.343 -6.483) 8.681 8.891 ( -0.044 -5.654 5.759) 8.071 9.692 ( 2.564 -2.941 -9.187) 9.981 9.852 ( 4.446 -1.279 4.469) 6.432 9.963 ( -3.181 3.982 -0.420) 5.114 10.256 ( -3.128 3.137 2.037) 4.876 10.593 ( -3.824 1.256 -0.752) 4.095 13.124 ( -0.058 0.185 1.156) 1.173 13.259 ( 0.391 -1.352 2.773) 3.110 13.348 ( 0.981 0.371 -1.899) 2.170 13.525 ( -0.539 1.817 -1.497) 2.415 13.951 ( -0.335 -0.030 0.072) 0.344 14.032 ( 0.785 -0.126 -1.429) 1.635 ======================= Grid point 76 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 19.099 0.000 6.296) 20.110 0.963 ( 13.250 0.000 16.306) 21.011 1.215 ( 15.935 0.000 3.000) 16.215 1.329 ( 6.449 0.000 3.118) 7.163 1.875 ( 3.738 0.000 -1.573) 4.055 1.895 ( 5.974 0.000 1.366) 6.128 2.001 ( -2.633 -0.000 -2.052) 3.338 2.087 ( 0.366 0.000 -1.681) 1.721 2.181 ( 9.700 0.000 0.996) 9.751 2.195 ( -7.538 -0.000 11.804) 14.006 2.358 ( 1.006 0.000 0.941) 1.378 2.510 ( 1.001 0.000 -2.607) 2.792 2.879 ( 6.055 0.000 2.321) 6.485 3.252 ( 0.115 0.000 -2.000) 2.003 3.528 ( -3.454 -0.000 11.134) 11.658 4.321 ( 6.573 0.000 -1.809) 6.817 4.571 ( 7.372 0.000 -0.696) 7.405 4.871 ( 8.460 0.000 -13.043) 15.546 4.926 ( 5.335 0.000 -0.790) 5.393 5.129 ( -3.374 -0.000 -1.960) 3.902 5.489 ( 2.688 0.000 3.077) 4.086 5.927 ( 0.099 0.000 -14.209) 14.209 7.046 ( -9.466 -0.000 9.644) 13.514 8.165 ( -6.038 -0.000 -8.780) 10.656 8.845 ( -3.567 -0.000 4.322) 5.604 9.419 ( -6.330 -0.000 -6.979) 9.422 9.931 ( 0.637 0.000 1.044) 1.223 10.198 ( 1.530 0.000 1.844) 2.396 10.212 ( 7.028 0.000 3.512) 7.857 10.596 ( 3.648 0.000 -1.976) 4.149 13.127 ( -0.094 -0.000 1.318) 1.321 13.266 ( -1.555 -0.000 1.247) 1.993 13.373 ( 0.583 0.000 -1.058) 1.208 13.538 ( 2.447 0.000 -1.166) 2.710 13.932 ( -0.212 -0.000 -0.691) 0.723 14.038 ( -0.079 -0.000 -0.723) 0.727 ======================= Grid point 77 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 18.656 9.644 4.683) 21.517 1.198 ( 7.385 -0.768 14.045) 15.887 1.400 ( 2.194 -0.772 -1.495) 2.765 1.407 ( 8.221 0.098 -1.375) 8.336 1.890 ( -3.155 -1.465 -4.278) 5.514 1.925 ( 3.032 3.630 0.191) 4.734 1.973 ( 0.117 -0.716 -0.078) 0.730 2.047 ( 4.304 6.548 -0.701) 7.867 2.126 ( -4.482 0.476 8.433) 9.562 2.389 ( 1.758 -0.808 0.720) 2.065 2.464 ( 1.312 -0.158 -5.097) 5.265 2.695 ( 19.285 -18.695 2.689) 26.994 2.982 ( 8.834 1.130 0.588) 8.925 3.221 ( -4.005 1.782 5.285) 6.866 3.568 ( 2.476 -3.538 8.022) 9.111 4.435 ( 7.012 -0.745 -1.114) 7.139 4.658 ( 8.860 4.918 -2.007) 10.330 4.940 ( 0.885 -3.487 -6.115) 7.094 5.027 ( 6.708 -1.274 -0.504) 6.846 5.114 ( -1.768 -4.732 -2.690) 5.723 5.507 ( 0.837 3.827 3.133) 5.016 5.876 ( -0.014 0.730 -14.207) 14.226 6.890 ( -12.108 1.957 10.776) 16.326 8.026 ( -6.170 1.337 -8.881) 10.896 8.771 ( -5.393 1.765 3.805) 6.832 9.330 ( -4.880 -2.803 -7.489) 9.368 9.921 ( 1.775 3.885 2.046) 4.736 10.235 ( -0.853 -3.010 5.600) 6.414 10.339 ( 7.489 0.379 -0.741) 7.536 10.657 ( 3.852 -0.994 -2.349) 4.620 13.131 ( 0.161 0.067 1.289) 1.301 13.245 ( -1.064 0.430 1.217) 1.673 13.379 ( 0.453 -0.241 -1.174) 1.281 13.581 ( 2.813 -0.361 -1.196) 3.078 13.930 ( 0.083 -0.148 -0.643) 0.665 14.032 ( -0.208 0.217 -0.367) 0.474 ======================= Grid point 78 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 10.451 12.140 3.086) 16.313 1.268 ( 7.339 9.067 7.505) 13.870 1.410 ( -4.434 -2.810 2.182) 5.685 1.504 ( 3.458 -0.388 -1.843) 3.938 1.830 ( -5.533 -2.707 -1.664) 6.380 1.926 ( 3.334 2.477 0.338) 4.167 1.989 ( 1.531 1.473 1.233) 2.456 2.041 ( 1.270 3.008 -2.296) 3.991 2.111 ( 4.355 2.637 4.532) 6.816 2.400 ( -1.988 0.469 -0.601) 2.129 2.463 ( 1.369 -2.045 -4.710) 5.314 3.008 ( 8.934 4.024 3.637) 10.451 3.111 ( -5.638 4.763 9.142) 11.750 3.302 ( 10.803 -13.530 -5.288) 18.103 3.779 ( 10.870 -10.010 5.517) 15.773 4.533 ( 4.554 0.206 -0.281) 4.567 4.684 ( 4.060 5.521 -1.938) 7.122 4.978 ( 0.210 -2.233 -2.248) 3.176 5.135 ( 0.958 -3.147 -2.532) 4.151 5.189 ( 5.718 -3.342 -1.074) 6.709 5.407 ( -3.173 7.512 0.375) 8.163 5.834 ( 0.263 0.165 -9.942) 9.947 6.709 ( -10.738 1.441 10.946) 15.401 7.907 ( -4.120 -0.670 -8.576) 9.538 8.675 ( -5.814 0.280 4.376) 7.282 9.294 ( -3.216 -4.559 -8.315) 10.013 9.903 ( 3.040 5.160 3.419) 6.896 10.279 ( -1.226 -3.221 4.548) 5.706 10.415 ( 4.784 2.602 -0.890) 5.518 10.719 ( 2.552 -1.280 -2.159) 3.579 13.137 ( 0.400 0.262 1.130) 1.227 13.230 ( -0.725 0.303 1.370) 1.579 13.384 ( 0.285 -0.089 -1.562) 1.590 13.619 ( 2.309 0.261 -1.365) 2.695 13.936 ( 0.476 -0.291 -0.359) 0.664 14.024 ( -0.161 0.296 -0.223) 0.403 ======================= Grid point 79 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 2.369 7.222 1.119) 7.683 1.271 ( 10.382 15.901 5.059) 19.653 1.342 ( -7.570 -1.306 3.021) 8.255 1.498 ( -2.544 0.158 -0.375) 2.576 1.796 ( -2.855 -1.309 -0.271) 3.152 1.949 ( 0.601 0.955 0.111) 1.133 1.997 ( -1.935 -0.039 1.153) 2.253 2.008 ( 5.745 3.244 -1.609) 6.791 2.160 ( 5.907 5.338 0.405) 7.972 2.345 ( -2.825 0.370 -2.523) 3.806 2.514 ( 1.917 -2.622 -2.365) 4.018 2.944 ( -4.927 7.506 4.517) 10.050 3.109 ( 7.100 3.138 4.768) 9.110 3.479 ( 0.579 -4.080 0.243) 4.128 4.063 ( 3.055 -1.390 2.130) 3.975 4.546 ( -0.160 2.930 -0.326) 2.952 4.628 ( -1.071 4.356 0.330) 4.498 4.964 ( 1.020 3.010 -4.051) 5.149 5.120 ( -2.145 1.529 -1.877) 3.234 5.303 ( -0.011 1.815 0.242) 1.831 5.323 ( 5.521 -1.944 -2.287) 6.284 5.824 ( 0.631 -2.003 -6.495) 6.826 6.625 ( -4.247 -3.085 9.434) 10.796 7.879 ( -0.987 -4.688 -7.642) 9.020 8.625 ( -4.655 -3.102 5.358) 7.746 9.304 ( -1.361 -5.823 -9.019) 10.822 9.895 ( 3.978 5.503 4.400) 8.091 10.306 ( -2.771 -2.621 4.137) 5.627 10.412 ( 3.023 5.486 -1.996) 6.574 10.750 ( 0.272 -0.387 -1.362) 1.442 13.141 ( 0.433 0.554 0.974) 1.201 13.222 ( -0.572 -0.014 1.642) 1.739 13.380 ( 0.158 0.349 -2.039) 2.075 13.636 ( 1.554 1.107 -1.611) 2.497 13.947 ( 0.524 -0.153 0.008) 0.546 14.019 ( 0.052 0.182 -0.379) 0.423 ======================= Grid point 80 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.747 6.034 1.156) 6.189 1.121 ( -6.447 9.073 2.631) 11.437 1.261 ( -3.863 2.734 1.321) 4.914 1.483 ( 5.758 6.282 4.596) 9.682 1.755 ( -0.956 1.675 -1.192) 2.267 1.916 ( -1.075 0.728 -1.494) 1.979 2.015 ( 1.298 -1.391 2.445) 3.098 2.059 ( 4.627 1.223 -2.542) 5.419 2.125 ( 0.777 7.189 -0.188) 7.234 2.295 ( -1.080 1.024 -3.113) 3.450 2.577 ( 1.641 -2.910 -0.477) 3.375 2.765 ( -5.177 8.045 2.155) 9.806 3.186 ( 6.721 3.284 2.275) 7.819 3.507 ( -1.552 -1.384 3.395) 3.982 3.765 ( -18.223 22.105 6.057) 29.282 4.488 ( -3.398 1.895 -1.234) 4.082 4.545 ( -2.874 4.118 2.107) 5.446 4.965 ( 4.246 2.150 -7.392) 8.792 5.050 ( -1.878 3.558 -1.393) 4.257 5.286 ( -0.376 0.806 1.045) 1.373 5.398 ( 4.386 1.359 -3.478) 5.760 5.875 ( 0.920 -5.359 -5.820) 7.965 6.727 ( 2.967 -8.244 7.490) 11.527 7.953 ( 1.394 -8.121 -6.622) 10.571 8.646 ( -3.301 -6.037 5.768) 8.979 9.363 ( 1.041 -7.200 -9.012) 11.582 9.903 ( 4.896 5.267 4.925) 8.716 10.256 ( -6.899 1.170 2.762) 7.523 10.382 ( 4.127 5.185 -1.930) 6.903 10.725 ( -2.265 1.215 -0.613) 2.642 13.141 ( 0.263 0.732 0.961) 1.236 13.221 ( -0.603 -0.349 1.877) 2.002 13.369 ( 0.357 0.643 -2.277) 2.393 13.628 ( 0.836 1.978 -1.858) 2.839 13.954 ( 0.169 0.108 0.221) 0.298 14.019 ( 0.314 -0.067 -0.728) 0.796 ======================= Grid point 81 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -9.937 6.009 2.237) 11.826 0.898 ( 1.027 15.685 5.885) 16.784 1.159 ( -4.784 1.344 -0.048) 4.969 1.484 ( 6.659 13.056 7.309) 16.377 1.751 ( 2.010 -0.247 -1.137) 2.322 1.887 ( -3.437 0.363 -0.220) 3.463 2.010 ( -0.181 6.747 0.651) 6.781 2.073 ( 1.745 -1.405 -0.913) 2.419 2.102 ( 3.663 -0.217 0.833) 3.763 2.266 ( 0.663 1.223 -3.279) 3.562 2.569 ( -5.382 8.602 0.704) 10.171 2.637 ( 1.018 -2.377 0.198) 2.593 3.121 ( -16.556 22.794 7.285) 29.099 3.250 ( 3.524 4.386 0.385) 5.639 3.510 ( -1.570 -0.800 6.170) 6.417 4.373 ( -5.576 3.009 -0.967) 6.410 4.430 ( -3.579 5.545 1.850) 6.854 4.938 ( 2.241 6.112 -8.804) 10.950 4.964 ( -0.578 4.213 -0.688) 4.308 5.278 ( -0.396 0.255 1.904) 1.961 5.409 ( 2.912 3.006 -5.191) 6.668 5.939 ( -0.164 -5.156 -7.012) 8.705 6.943 ( 4.378 -9.158 6.457) 12.030 8.089 ( 2.032 -9.482 -6.616) 11.740 8.712 ( -2.531 -7.130 5.513) 9.362 9.482 ( 3.249 -8.467 -8.103) 12.162 9.933 ( 5.599 4.603 4.977) 8.793 10.098 ( -8.067 4.123 0.543) 9.076 10.367 ( 2.740 4.917 -0.418) 5.645 10.649 ( -3.461 2.377 -0.439) 4.221 13.136 ( -0.011 0.664 1.015) 1.213 13.226 ( -0.477 -0.797 2.119) 2.314 13.363 ( 0.771 0.591 -2.080) 2.296 13.596 ( 0.205 2.759 -1.918) 3.367 13.952 ( -0.174 0.169 0.139) 0.280 14.025 ( 0.453 -0.293 -1.062) 1.191 ======================= Grid point 82 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.593 11.433 8.039) 14.067 0.729 ( 5.079 15.877 8.759) 18.830 1.110 ( -0.178 0.686 0.224) 0.743 1.265 ( -5.716 22.464 16.957) 28.720 1.776 ( 2.212 4.054 0.085) 4.619 1.802 ( 1.143 1.273 1.068) 2.017 2.009 ( 1.311 -1.612 -0.229) 2.090 2.087 ( -1.038 -1.512 -2.412) 3.030 2.198 ( 1.650 -2.835 6.201) 7.015 2.264 ( 3.407 1.097 -2.140) 4.170 2.406 ( -1.157 5.655 0.851) 5.835 2.618 ( -3.140 8.836 2.193) 9.630 2.751 ( -3.618 0.974 2.269) 4.380 3.263 ( 3.722 3.288 -2.832) 5.717 3.530 ( -1.325 -2.199 10.330) 10.644 4.263 ( -0.250 3.227 -1.141) 3.432 4.314 ( -1.124 5.090 0.637) 5.251 4.849 ( 4.435 8.916 -9.568) 13.810 4.904 ( 0.719 4.194 -1.268) 4.440 5.270 ( 0.124 1.900 -0.068) 1.905 5.391 ( 1.832 1.817 -3.703) 4.513 5.965 ( -0.816 -3.404 -9.054) 9.707 7.106 ( -0.313 -5.734 6.092) 8.372 8.213 ( 0.069 -7.957 -7.511) 10.942 8.793 ( -2.048 -6.994 5.348) 9.040 9.619 ( 1.962 -6.203 -8.457) 10.670 9.899 ( -6.686 2.927 2.184) 7.619 10.004 ( 5.856 3.050 2.725) 7.142 10.311 ( -0.050 6.358 1.412) 6.513 10.575 ( -0.962 1.948 -1.048) 2.412 13.129 ( -0.219 0.386 1.098) 1.184 13.246 ( -0.012 -1.768 2.314) 2.913 13.364 ( 0.908 0.438 -1.615) 1.904 13.552 ( 0.119 2.806 -1.718) 3.292 13.946 ( -0.313 0.093 -0.176) 0.371 14.033 ( 0.373 -0.355 -1.202) 1.307 ======================= Grid point 85 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -1.787 -0.000 2.695) 3.234 1.318 ( 3.363 0.000 8.316) 8.970 1.433 ( 11.797 0.000 0.872) 11.830 1.500 ( 3.937 0.000 -2.665) 4.754 1.790 ( -5.671 -0.000 -4.016) 6.949 1.946 ( -0.522 -0.000 0.156) 0.545 2.036 ( 2.014 0.000 0.415) 2.056 2.115 ( 2.624 0.000 5.536) 6.126 2.239 ( 7.824 0.000 -0.377) 7.834 2.432 ( 2.873 0.000 -7.181) 7.734 2.451 ( 0.690 0.000 -0.898) 1.132 2.888 ( 23.128 0.000 -1.476) 23.175 3.117 ( 5.720 0.000 4.189) 7.090 3.192 ( -4.439 -0.000 8.358) 9.464 3.638 ( 7.829 0.000 7.991) 11.187 4.536 ( 6.049 0.000 -0.084) 6.049 4.846 ( 9.264 0.000 -0.922) 9.310 4.872 ( -2.844 -0.000 -5.963) 6.607 5.052 ( 0.539 0.000 -1.911) 1.986 5.144 ( 8.485 0.000 -0.546) 8.502 5.556 ( -0.608 -0.000 3.702) 3.751 5.821 ( -1.402 -0.000 -15.643) 15.705 6.732 ( -13.650 -0.000 12.333) 18.397 7.900 ( -6.711 -0.000 -9.174) 11.367 8.677 ( -8.835 -0.000 4.401) 9.871 9.227 ( -2.640 -0.000 -8.413) 8.817 9.993 ( 3.420 0.000 0.666) 3.485 10.217 ( -1.535 -0.000 8.324) 8.464 10.456 ( 6.892 0.000 -2.161) 7.223 10.697 ( 2.808 0.000 -2.172) 3.550 13.141 ( 0.556 0.000 1.212) 1.334 13.236 ( -0.884 -0.000 1.214) 1.501 13.381 ( 0.449 0.000 -1.302) 1.378 13.623 ( 2.949 0.000 -1.179) 3.176 13.932 ( 0.619 0.000 -0.627) 0.881 14.029 ( -0.320 -0.000 -0.022) 0.321 ======================= Grid point 86 (38/129) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -7.496 1.663 1.500) 7.823 1.323 ( -4.017 0.718 2.728) 4.908 1.493 ( -4.636 1.688 0.285) 4.942 1.620 ( 12.994 3.240 0.344) 13.396 1.736 ( -0.255 -1.673 -1.871) 2.522 1.952 ( 0.151 -0.829 1.096) 1.382 2.011 ( -2.447 1.362 2.371) 3.670 2.197 ( 7.801 5.174 1.111) 9.426 2.303 ( 4.380 1.504 -1.575) 4.891 2.385 ( -1.013 3.054 0.470) 3.252 2.505 ( 10.119 6.102 -7.916) 14.223 3.106 ( -5.244 2.513 9.545) 11.177 3.176 ( 4.343 1.443 5.962) 7.516 3.284 ( 9.544 -8.747 -5.792) 14.182 3.890 ( 15.707 -5.405 6.161) 17.716 4.607 ( 3.387 0.967 0.426) 3.548 4.764 ( -2.837 4.169 -2.823) 5.780 4.989 ( 5.548 -1.090 -1.086) 5.758 5.104 ( 3.148 -2.472 -1.988) 4.469 5.279 ( 7.736 -0.589 -1.176) 7.847 5.465 ( -4.044 8.010 0.792) 9.008 5.772 ( -1.793 -2.963 -11.660) 12.164 6.567 ( -11.872 -0.985 12.673) 17.393 7.786 ( -4.966 -1.729 -9.021) 10.442 8.553 ( -9.341 -1.612 5.214) 10.819 9.190 ( -0.760 -2.144 -9.147) 9.426 10.031 ( 4.222 3.556 1.773) 5.798 10.233 ( -1.993 -2.271 7.412) 8.004 10.527 ( 4.876 2.433 -2.420) 5.962 10.729 ( 1.241 -0.784 -1.859) 2.369 13.154 ( 0.763 0.258 0.979) 1.268 13.226 ( -0.642 0.174 1.440) 1.586 13.384 ( 0.378 0.001 -1.628) 1.671 13.657 ( 2.108 0.400 -1.456) 2.593 13.945 ( 1.143 -0.027 -0.415) 1.216 14.023 ( -0.327 0.080 0.063) 0.342 ======================= Grid point 87 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -7.217 0.552 -0.050) 7.238 1.231 ( -5.860 0.701 0.492) 5.923 1.343 ( -8.410 3.317 1.781) 9.214 1.750 ( 7.493 3.258 1.287) 8.271 1.775 ( 5.373 1.340 -1.453) 5.725 1.949 ( -2.798 1.183 1.790) 3.526 1.981 ( 1.420 -0.271 0.877) 1.691 2.193 ( 1.883 5.501 -3.311) 6.691 2.321 ( 1.916 2.766 0.544) 3.409 2.360 ( 5.731 6.382 0.425) 8.588 2.549 ( 8.059 4.760 -6.307) 11.286 2.985 ( -4.545 6.403 6.832) 10.408 3.232 ( 2.389 0.256 5.751) 6.232 3.441 ( 2.241 -3.649 -1.685) 4.602 4.145 ( 5.017 3.998 3.716) 7.414 4.597 ( -0.447 4.533 0.177) 4.558 4.658 ( -2.359 3.976 -0.366) 4.638 5.027 ( 2.624 2.740 -3.113) 4.907 5.136 ( 1.012 2.734 -0.946) 3.065 5.318 ( 0.367 1.655 -1.077) 2.008 5.408 ( 5.587 0.283 -1.357) 5.756 5.760 ( -1.510 -3.524 -8.381) 9.216 6.507 ( -5.956 -6.500 11.078) 14.158 7.755 ( -1.851 -5.435 -8.228) 10.033 8.482 ( -7.437 -5.045 5.877) 10.738 9.206 ( 1.090 -3.908 -9.285) 10.133 10.046 ( 4.228 4.634 3.732) 7.299 10.241 ( -3.439 -1.417 5.122) 6.330 10.532 ( 3.574 4.573 -2.645) 6.378 10.739 ( -0.565 -0.247 -1.267) 1.410 13.161 ( 0.590 0.634 0.765) 1.156 13.220 ( -0.499 0.166 1.772) 1.848 13.382 ( 0.313 0.237 -2.023) 2.061 13.669 ( 1.244 0.933 -1.875) 2.436 13.961 ( 1.000 0.312 -0.138) 1.057 14.018 ( -0.206 -0.033 -0.160) 0.263 ======================= Grid point 88 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -6.841 0.793 -0.035) 6.887 1.142 ( -6.220 -1.450 -2.395) 6.821 1.198 ( -1.595 6.087 4.904) 7.978 1.763 ( 0.599 0.991 -0.958) 1.503 1.845 ( 8.528 7.539 1.401) 11.469 1.897 ( -1.777 1.222 0.357) 2.186 2.026 ( 2.508 -1.298 -0.411) 2.854 2.109 ( -3.021 2.295 -3.045) 4.865 2.324 ( 7.762 8.676 2.374) 11.881 2.333 ( 1.993 6.151 -1.569) 6.654 2.590 ( 4.749 1.458 -4.079) 6.428 2.833 ( -2.484 9.585 2.407) 10.190 3.276 ( 0.423 -0.835 4.829) 4.919 3.491 ( 0.969 -0.896 1.078) 1.704 3.844 ( -14.281 24.714 7.599) 29.538 4.501 ( -1.811 5.585 -0.266) 5.877 4.576 ( -1.388 4.664 1.012) 4.970 5.052 ( 4.847 1.965 -5.347) 7.480 5.100 ( 1.422 4.539 -1.021) 4.864 5.298 ( -0.878 1.651 1.017) 2.129 5.464 ( 3.043 0.955 -3.387) 4.652 5.787 ( 0.095 -5.339 -7.661) 9.338 6.629 ( -0.134 -12.251 8.728) 15.043 7.823 ( 0.553 -8.649 -7.284) 11.321 8.496 ( -4.745 -7.822 5.614) 10.733 9.280 ( 3.230 -5.769 -8.418) 10.704 10.062 ( 4.029 4.299 5.004) 7.730 10.177 ( -6.084 1.685 2.592) 6.824 10.513 ( 3.712 5.016 -2.259) 6.636 10.705 ( -2.239 1.391 -0.773) 2.747 13.158 ( 0.137 0.883 0.726) 1.151 13.217 ( -0.439 0.060 2.021) 2.069 13.377 ( 0.465 0.360 -2.173) 2.251 13.659 ( 0.596 1.589 -2.304) 2.861 13.964 ( 0.359 0.684 0.059) 0.775 14.017 ( -0.029 -0.278 -0.549) 0.616 ======================= Grid point 89 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.456 3.012 1.192) 3.271 1.095 ( 1.989 2.815 0.885) 3.558 1.113 ( -0.679 5.474 3.205) 6.380 1.747 ( -4.783 8.118 -1.775) 9.588 1.786 ( 0.846 2.277 0.287) 2.446 1.874 ( 1.594 1.449 2.289) 3.144 2.048 ( -1.569 -0.984 -3.470) 3.934 2.098 ( 4.449 1.585 3.417) 5.829 2.245 ( 0.280 7.059 -0.742) 7.103 2.341 ( 6.243 6.145 1.779) 8.939 2.627 ( 0.903 0.438 -3.078) 3.237 2.661 ( 0.566 10.251 -0.601) 10.284 3.249 ( -11.389 25.957 5.625) 28.899 3.292 ( -1.986 -1.283 3.662) 4.359 3.534 ( 2.403 2.237 5.865) 6.721 4.399 ( -0.111 6.082 -0.338) 6.092 4.480 ( -1.020 6.222 0.957) 6.377 5.029 ( 0.454 4.796 0.059) 4.818 5.058 ( 3.912 6.479 -6.595) 10.039 5.278 ( -0.827 -0.429 2.690) 2.846 5.457 ( 0.568 2.142 -4.804) 5.290 5.842 ( 0.211 -5.035 -8.273) 9.687 6.840 ( -0.377 -12.731 7.440) 14.751 7.949 ( 1.072 -9.875 -7.128) 12.226 8.573 ( -2.388 -8.630 4.480) 10.012 9.413 ( 4.827 -7.191 -6.649) 10.919 10.008 ( -8.382 3.953 2.688) 9.649 10.105 ( 4.523 3.717 2.992) 6.575 10.484 ( 1.905 5.644 -0.799) 6.010 10.640 ( -1.369 2.412 -1.099) 2.983 13.147 ( -0.312 0.834 0.801) 1.198 13.219 ( -0.234 -0.316 2.129) 2.165 13.375 ( 0.685 0.296 -1.914) 2.054 13.629 ( 0.101 2.353 -2.479) 3.419 13.956 ( -0.124 0.678 0.051) 0.691 14.021 ( 0.078 -0.497 -0.880) 1.014 ======================= Grid point 90 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 4.891 9.175 4.905) 11.496 1.017 ( 6.209 7.987 4.165) 10.941 1.185 ( 7.559 1.345 1.446) 7.813 1.384 ( -14.337 12.788 5.992) 20.124 1.822 ( 2.057 -0.680 0.938) 2.361 1.907 ( 2.588 0.478 1.537) 3.048 2.028 ( -1.834 -1.193 -2.731) 3.499 2.068 ( -0.460 6.662 -0.656) 6.710 2.207 ( -0.725 0.692 7.771) 7.835 2.359 ( 3.025 1.897 0.528) 3.609 2.507 ( 1.926 8.527 -2.021) 8.972 2.682 ( 0.614 -2.997 -1.913) 3.608 2.885 ( 7.422 22.454 1.318) 23.685 3.276 ( -3.600 -1.523 2.798) 4.807 3.561 ( 2.335 2.573 6.680) 7.530 4.349 ( 3.795 4.294 -1.599) 5.950 4.403 ( 2.410 5.276 0.322) 5.809 4.978 ( 1.863 4.560 0.224) 4.931 5.009 ( 4.115 5.970 -6.343) 9.633 5.288 ( -0.214 0.130 1.512) 1.532 5.409 ( -0.655 1.392 -3.485) 3.810 5.877 ( -0.025 -3.830 -9.756) 10.481 6.976 ( -5.074 -9.030 7.587) 12.839 8.062 ( -0.830 -8.330 -7.677) 11.359 8.678 ( -0.917 -7.851 3.567) 8.672 9.560 ( 3.321 -4.870 -6.820) 9.015 9.819 ( -8.124 2.702 2.970) 9.062 10.152 ( 5.552 2.413 2.339) 6.490 10.400 ( -1.315 6.414 1.497) 6.717 10.610 ( 2.256 2.302 -2.098) 3.846 13.134 ( -0.431 0.494 0.962) 1.165 13.232 ( -0.165 -0.963 1.973) 2.201 13.377 ( 0.721 0.269 -1.454) 1.645 13.588 ( 0.234 2.562 -2.211) 3.393 13.944 ( -0.246 0.436 -0.181) 0.532 14.027 ( 0.054 -0.558 -0.970) 1.120 ======================= Grid point 94 (43/129) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -8.867 -0.000 2.884) 9.324 1.237 ( -7.466 -0.000 -2.653) 7.923 1.405 ( -7.765 -0.000 3.378) 8.468 1.758 ( 3.436 0.000 -1.629) 3.802 1.798 ( 8.561 0.000 -1.613) 8.711 1.953 ( 0.633 0.000 0.499) 0.806 1.994 ( -1.859 -0.000 3.913) 4.332 2.255 ( -4.413 -0.000 -3.415) 5.580 2.363 ( 7.069 0.000 0.607) 7.095 2.394 ( -0.051 -0.000 1.489) 1.490 2.802 ( 15.261 0.000 -7.041) 16.807 3.054 ( -6.372 -0.000 9.230) 11.216 3.242 ( 0.730 0.000 4.897) 4.951 3.339 ( 7.290 0.000 -4.393) 8.511 4.158 ( 19.350 0.000 3.623) 19.686 4.658 ( 1.742 0.000 0.404) 1.788 4.725 ( -3.485 -0.000 -1.972) 4.004 5.066 ( 3.622 0.000 -0.083) 3.623 5.167 ( 6.897 0.000 -2.039) 7.192 5.368 ( 2.184 0.000 -1.022) 2.411 5.475 ( -3.270 -0.000 2.481) 4.105 5.653 ( -2.504 -0.000 -13.282) 13.516 6.412 ( -10.960 -0.000 13.514) 17.400 7.676 ( -3.210 -0.000 -8.995) 9.550 8.404 ( -9.179 -0.000 5.666) 10.787 9.151 ( 1.178 0.000 -9.299) 9.374 10.132 ( 4.406 0.000 0.783) 4.475 10.202 ( -2.810 -0.000 8.455) 8.909 10.605 ( 3.596 0.000 -2.583) 4.428 10.727 ( 0.035 0.000 -1.704) 1.704 13.171 ( 0.762 0.000 0.678) 1.020 13.224 ( -0.468 -0.000 1.667) 1.731 13.385 ( 0.344 0.000 -1.840) 1.872 13.681 ( 1.193 0.000 -1.824) 2.179 13.966 ( 1.480 0.000 -0.340) 1.518 14.017 ( -0.422 -0.000 0.076) 0.429 ======================= Grid point 95 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -6.178 0.216 1.880) 6.462 1.115 ( -5.895 -0.382 -2.777) 6.528 1.300 ( -4.669 1.692 4.272) 6.551 1.790 ( 1.623 0.847 -1.841) 2.597 1.898 ( 4.383 -0.551 -3.099) 5.396 1.950 ( -0.099 1.989 2.002) 2.824 2.004 ( 1.386 -0.878 2.222) 2.762 2.161 ( -4.897 0.958 -2.806) 5.725 2.407 ( 0.201 -1.015 1.856) 2.125 2.433 ( 3.303 2.244 -0.128) 3.995 2.864 ( 5.838 11.510 -1.688) 13.016 3.020 ( 1.689 1.586 2.387) 3.327 3.249 ( -1.006 0.270 5.144) 5.248 3.440 ( 3.559 -2.452 -1.611) 4.612 4.369 ( 8.431 10.508 1.633) 13.570 4.647 ( -0.754 3.721 0.203) 3.802 4.674 ( -0.503 1.795 -0.266) 1.883 5.078 ( 0.856 0.973 -2.353) 2.687 5.211 ( 1.189 4.168 -0.338) 4.347 5.326 ( -1.363 -1.411 -0.138) 1.967 5.481 ( 2.865 0.907 -1.410) 3.320 5.644 ( 0.170 -4.660 -9.845) 10.894 6.345 ( -6.932 -6.220 12.653) 15.711 7.647 ( -0.004 -3.432 -8.237) 8.923 8.323 ( -6.228 -3.648 5.710) 9.203 9.170 ( 3.008 -2.020 -8.630) 9.360 10.157 ( -0.175 2.260 5.884) 6.305 10.198 ( -0.720 -0.087 2.741) 2.835 10.624 ( 2.543 2.546 -2.483) 4.372 10.721 ( -0.637 -0.165 -1.463) 1.604 13.178 ( 0.320 0.433 0.427) 0.687 13.222 ( -0.315 0.175 1.980) 2.012 13.382 ( 0.243 0.079 -2.140) 2.156 13.685 ( 0.492 0.371 -2.288) 2.369 13.983 ( 0.978 0.454 -0.180) 1.093 14.011 ( -0.381 -0.111 -0.187) 0.438 ======================= Grid point 96 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.592 0.426 0.913) 1.168 1.075 ( 1.477 -0.492 -1.773) 2.359 1.247 ( -1.134 1.911 4.461) 4.984 1.784 ( 0.519 1.052 -1.195) 1.674 1.911 ( -0.662 2.763 -2.825) 4.007 1.934 ( 0.210 0.649 0.834) 1.077 2.013 ( -3.786 -0.421 -2.270) 4.435 2.115 ( 3.541 0.335 0.456) 3.586 2.400 ( -1.388 3.881 0.114) 4.123 2.436 ( 0.134 -0.929 2.178) 2.371 2.760 ( 0.794 8.432 -0.180) 8.471 2.999 ( 4.467 10.658 -2.166) 11.757 3.239 ( -3.368 -1.506 5.540) 6.656 3.505 ( 1.623 -0.718 0.920) 1.999 4.080 ( -5.351 27.231 4.121) 28.056 4.569 ( 0.207 5.540 0.289) 5.551 4.632 ( -0.034 4.090 0.228) 4.096 5.112 ( 1.835 0.264 -2.875) 3.420 5.194 ( 3.225 1.828 -1.030) 3.848 5.284 ( -4.402 1.342 -0.398) 4.619 5.489 ( -0.034 0.314 -2.953) 2.970 5.711 ( 3.475 -3.793 -8.028) 9.535 6.452 ( -2.392 -13.297 10.476) 17.096 7.714 ( 2.364 -6.298 -7.178) 9.837 8.346 ( -2.359 -6.715 4.821) 8.596 9.251 ( 4.903 -4.158 -7.031) 9.527 10.097 ( -6.017 2.246 4.632) 7.919 10.193 ( 1.664 2.361 2.567) 3.864 10.612 ( 1.908 3.370 -1.876) 4.304 10.696 ( -0.617 1.387 -1.345) 2.028 13.171 ( -0.299 0.778 0.402) 0.925 13.221 ( -0.217 0.287 2.180) 2.209 13.379 ( 0.280 0.003 -2.247) 2.265 13.673 ( 0.015 0.824 -2.741) 2.862 13.981 ( 0.163 0.951 0.036) 0.966 14.009 ( -0.234 -0.349 -0.569) 0.707 ======================= Grid point 97 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 7.562 -0.290 0.162) 7.570 1.147 ( 3.732 0.114 -0.210) 3.740 1.226 ( 4.046 3.068 4.108) 6.531 1.725 ( -8.958 8.021 -1.928) 12.178 1.809 ( -0.030 0.867 -0.453) 0.979 1.923 ( 0.903 1.595 2.272) 2.919 1.977 ( -2.362 -2.426 -3.327) 4.747 2.193 ( 4.264 0.452 -0.504) 4.317 2.292 ( -3.547 4.924 1.832) 6.339 2.439 ( -1.852 0.596 3.164) 3.714 2.678 ( 1.612 4.809 -2.489) 5.650 2.817 ( -5.196 13.242 1.314) 14.286 3.214 ( -5.205 -1.904 3.684) 6.655 3.466 ( 0.696 9.815 0.160) 9.840 3.753 ( 7.345 17.340 4.274) 19.311 4.506 ( 2.146 6.107 0.089) 6.474 4.565 ( 0.516 5.654 0.236) 5.683 5.082 ( -1.122 2.110 -1.211) 2.679 5.171 ( -0.302 4.775 -2.977) 5.635 5.245 ( -0.225 -1.727 1.011) 2.014 5.455 ( -1.969 0.706 -3.706) 4.256 5.782 ( 2.980 -2.121 -7.451) 8.300 6.645 ( -2.702 -13.831 8.811) 16.620 7.833 ( 2.871 -7.211 -6.789) 10.312 8.451 ( 0.670 -7.712 3.318) 8.422 9.391 ( 6.035 -5.780 -4.829) 9.651 9.942 ( -8.259 4.711 1.910) 9.698 10.204 ( 1.635 1.120 3.151) 3.723 10.560 ( -1.232 4.717 0.090) 4.876 10.676 ( 2.236 2.167 -2.212) 3.819 13.153 ( -0.677 0.803 0.552) 1.187 13.221 ( -0.129 0.120 2.144) 2.151 13.379 ( 0.408 -0.167 -2.005) 2.053 13.646 ( -0.319 1.419 -2.897) 3.242 13.966 ( -0.268 1.015 0.167) 1.063 14.010 ( -0.082 -0.563 -0.854) 1.026 ======================= Grid point 98 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.694 6.735 4.030) 7.879 1.186 ( 10.125 -1.197 1.170) 10.263 1.314 ( -13.865 10.610 1.295) 17.507 1.365 ( 7.375 3.857 4.823) 9.619 1.833 ( 0.832 -1.597 0.703) 1.933 1.932 ( -0.211 -0.577 -0.627) 0.878 1.970 ( -0.583 -1.073 -0.063) 1.223 2.110 ( -4.622 5.946 -1.475) 7.674 2.229 ( -3.781 3.377 5.762) 7.675 2.400 ( -0.264 0.599 2.175) 2.272 2.599 ( -3.889 5.611 -0.062) 6.827 2.684 ( 5.179 0.343 -3.685) 6.366 3.155 ( -6.511 -2.371 3.516) 7.770 3.373 ( 9.818 14.182 -1.925) 17.356 3.738 ( 9.428 10.047 4.097) 14.375 4.475 ( 4.034 5.060 -1.171) 6.576 4.510 ( 2.099 3.966 0.045) 4.488 5.036 ( -0.931 1.136 -1.573) 2.152 5.121 ( 2.544 3.607 -1.842) 4.782 5.261 ( -1.531 -1.791 0.125) 2.359 5.395 ( -2.145 1.184 -2.580) 3.557 5.819 ( 1.753 -1.435 -7.688) 8.014 6.772 ( -6.016 -9.846 8.658) 14.426 7.939 ( 1.219 -5.566 -7.216) 9.194 8.585 ( 1.652 -6.870 2.536) 7.507 9.542 ( 4.183 -3.597 -5.629) 7.881 9.751 ( -7.197 3.412 3.449) 8.679 10.233 ( 1.980 -0.464 1.182) 2.352 10.461 ( -2.045 5.552 2.232) 6.324 10.684 ( 3.361 2.198 -2.551) 4.757 13.135 ( -0.570 0.465 0.801) 1.088 13.226 ( -0.210 -0.251 1.861) 1.890 13.383 ( 0.446 -0.175 -1.651) 1.719 13.612 ( -0.014 1.551 -2.507) 2.948 13.949 ( -0.224 0.753 0.066) 0.788 14.016 ( -0.003 -0.628 -0.874) 1.076 ======================= Grid point 103 (48/129) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -1.344 -0.000 1.619) 2.104 1.071 ( 1.835 -0.000 -1.519) 2.382 1.268 ( -1.650 -0.000 3.469) 3.841 1.811 ( 0.820 -0.000 -2.036) 2.195 1.897 ( -1.108 -0.000 -3.728) 3.889 1.996 ( -0.585 -0.000 -3.154) 3.208 2.002 ( -0.413 -0.000 5.813) 5.827 2.114 ( 0.468 -0.000 -1.074) 1.172 2.393 ( -1.059 -0.000 1.155) 1.567 2.473 ( -0.542 -0.000 -0.582) 0.796 2.900 ( -5.376 -0.000 3.548) 6.441 3.128 ( 5.496 -0.000 -1.060) 5.597 3.258 ( -0.954 -0.000 3.635) 3.758 3.475 ( 3.143 -0.000 0.374) 3.166 4.576 ( 1.234 -0.000 -1.924) 2.286 4.677 ( -0.147 -0.000 -0.364) 0.393 4.687 ( -0.128 -0.000 1.303) 1.309 5.046 ( -3.024 -0.000 -3.815) 4.868 5.189 ( -2.485 -0.000 0.342) 2.508 5.302 ( -0.003 -0.000 -0.800) 0.800 5.502 ( -0.668 -0.000 -1.893) 2.008 5.655 ( 7.668 -0.000 -7.614) 10.806 6.236 ( -4.883 -0.000 12.884) 13.779 7.622 ( 3.047 -0.000 -7.393) 7.997 8.245 ( -2.124 -0.000 5.155) 5.576 9.192 ( 4.726 -0.000 -7.239) 8.646 10.129 ( -4.747 -0.000 5.489) 7.257 10.227 ( 0.263 -0.000 2.191) 2.206 10.662 ( 1.052 -0.000 -1.900) 2.172 10.714 ( 0.532 -0.000 -1.683) 1.765 13.183 ( -0.281 -0.000 0.178) 0.332 13.226 ( -0.141 -0.000 2.252) 2.257 13.378 ( 0.039 -0.000 -2.399) 2.399 13.683 ( -0.033 -0.000 -2.701) 2.701 13.996 ( 0.293 -0.000 -0.058) 0.299 14.003 ( -0.369 -0.000 -0.444) 0.577 ======================= Grid point 105 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 4.665 -0.532 0.756) 4.755 1.148 ( 6.905 0.149 -0.968) 6.974 1.278 ( 2.552 0.868 3.164) 4.156 1.796 ( -0.699 1.169 -1.411) 1.961 1.864 ( -3.678 -1.303 -4.574) 6.012 1.933 ( -3.976 0.608 -2.472) 4.721 1.990 ( 0.097 2.507 4.545) 5.192 2.175 ( 5.083 -1.077 -1.652) 5.452 2.375 ( -3.282 -0.581 0.997) 3.479 2.421 ( -3.584 1.068 -0.444) 3.766 2.814 ( -2.517 2.955 -0.317) 3.894 3.150 ( -0.245 5.364 -0.484) 5.391 3.197 ( -4.945 2.971 6.470) 8.668 3.529 ( 1.847 -0.741 2.560) 3.242 4.315 ( -11.145 15.602 0.196) 19.174 4.645 ( 0.153 3.118 -0.076) 3.123 4.687 ( 2.125 2.487 0.371) 3.292 5.029 ( -5.124 -4.889 -4.715) 8.508 5.219 ( 1.776 1.419 -0.462) 2.320 5.273 ( 0.253 0.351 -1.411) 1.476 5.455 ( -3.654 0.219 -2.612) 4.497 5.769 ( 8.310 0.347 -6.275) 10.419 6.295 ( -0.592 -8.625 11.544) 14.423 7.690 ( 5.267 -2.748 -6.183) 8.575 8.288 ( 2.511 -3.282 3.966) 5.728 9.275 ( 6.167 -2.256 -5.117) 8.325 10.045 ( -6.065 2.212 2.804) 7.039 10.216 ( -2.037 -0.062 2.858) 3.510 10.652 ( -0.409 1.757 -0.934) 2.032 10.720 ( 1.673 0.848 -1.678) 2.516 13.171 ( -0.850 0.400 0.190) 0.959 13.230 ( -0.063 0.295 2.410) 2.429 13.371 ( -0.034 -0.237 -2.545) 2.556 13.668 ( -0.417 0.321 -3.044) 3.089 13.991 ( -0.416 0.584 0.232) 0.754 13.999 ( -0.184 -0.236 -0.784) 0.839 ======================= Grid point 106 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 8.892 -1.967 0.114) 9.108 1.187 ( 0.125 1.948 1.625) 2.540 1.379 ( 10.147 0.756 0.425) 10.184 1.684 ( -9.979 7.323 -0.903) 12.410 1.798 ( -1.816 -0.760 -1.085) 2.248 1.885 ( -2.066 -1.622 -3.036) 4.015 1.985 ( 1.404 1.753 2.827) 3.611 2.236 ( -0.988 2.218 -3.445) 4.215 2.289 ( -1.920 0.972 2.827) 3.553 2.384 ( -3.443 -2.180 0.403) 4.095 2.756 ( 1.510 3.020 -3.223) 4.667 2.876 ( -12.005 14.615 5.706) 19.755 3.127 ( -5.557 0.675 3.038) 6.369 3.552 ( 0.885 1.647 2.775) 3.346 4.039 ( -2.340 6.236 0.029) 6.660 4.596 ( -0.347 3.283 0.071) 3.302 4.670 ( 3.052 6.407 0.041) 7.097 4.985 ( -5.409 -3.510 -4.593) 7.917 5.172 ( -1.172 1.565 0.749) 2.094 5.283 ( 1.124 2.410 -2.531) 3.671 5.389 ( -4.186 -1.455 -2.249) 4.970 5.847 ( 6.362 2.581 -5.438) 8.759 6.473 ( 0.336 -10.311 9.488) 14.016 7.808 ( 5.893 -3.482 -5.676) 8.892 8.419 ( 5.263 -4.444 2.660) 7.384 9.411 ( 6.614 -4.106 -2.516) 8.181 9.892 ( -7.201 5.021 0.410) 8.788 10.200 ( -2.293 -1.787 2.268) 3.687 10.593 ( -2.070 3.632 0.601) 4.223 10.733 ( 2.245 1.138 -1.799) 3.094 13.150 ( -1.003 0.503 0.398) 1.190 13.231 ( -0.088 0.441 2.270) 2.314 13.370 ( 0.074 -0.626 -2.355) 2.438 13.643 ( -0.700 0.665 -3.053) 3.202 13.973 ( -0.595 0.807 0.481) 1.112 14.000 ( 0.064 -0.450 -1.011) 1.108 ======================= Grid point 107 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -3.878 4.419 4.147) 7.195 1.255 ( -12.851 11.403 3.195) 17.475 1.322 ( 6.265 -0.737 0.648) 6.342 1.541 ( 7.407 2.156 1.491) 7.857 1.797 ( -1.496 -3.281 -0.576) 3.651 1.877 ( -1.039 -1.579 -2.370) 3.032 1.996 ( 1.169 0.785 1.927) 2.387 2.097 ( -5.883 4.609 -0.125) 7.474 2.209 ( -7.440 4.615 3.972) 9.614 2.383 ( -0.655 -2.014 -0.157) 2.124 2.604 ( -4.104 4.561 1.157) 6.243 2.771 ( 5.586 0.622 -5.413) 7.803 3.029 ( -7.269 -0.784 4.242) 8.453 3.542 ( 1.054 2.747 2.184) 3.664 4.010 ( 2.393 0.963 0.289) 2.595 4.558 ( -0.027 1.444 0.321) 1.480 4.606 ( 1.794 7.066 -0.872) 7.342 4.946 ( -3.699 -3.435 -4.427) 6.714 5.175 ( 2.347 0.022 0.502) 2.400 5.229 ( -2.772 1.013 -3.324) 4.446 5.355 ( -2.165 -0.890 -0.682) 2.438 5.866 ( 4.154 3.865 -4.874) 7.480 6.614 ( -1.302 -6.546 8.568) 10.861 7.913 ( 4.500 -1.617 -6.059) 7.719 8.569 ( 4.867 -3.570 2.461) 6.518 9.556 ( 4.817 -2.437 -3.768) 6.584 9.707 ( -6.281 4.117 2.373) 7.876 10.215 ( -0.520 -3.437 -0.034) 3.476 10.499 ( -3.042 4.249 2.279) 5.701 10.745 ( 1.907 1.098 -1.766) 2.821 13.133 ( -0.655 0.233 0.689) 0.979 13.229 ( -0.199 0.320 1.919) 1.956 13.375 ( 0.125 -0.730 -2.080) 2.208 13.615 ( -0.365 0.520 -2.535) 2.614 13.956 ( -0.322 0.693 0.461) 0.892 14.006 ( 0.236 -0.517 -0.985) 1.137 ======================= Grid point 113 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.838 0.000 0.786) 7.877 1.229 ( 2.190 0.000 -0.082) 2.191 1.394 ( 9.796 0.000 0.927) 9.840 1.753 ( -7.061 -0.000 -4.448) 8.345 1.779 ( -2.426 -0.000 -1.206) 2.709 1.880 ( -2.208 -0.000 -2.033) 3.002 2.022 ( 0.040 0.000 4.102) 4.103 2.246 ( 5.560 0.000 -3.591) 6.619 2.315 ( -3.831 -0.000 0.036) 3.831 2.339 ( -7.009 -0.000 0.191) 7.011 2.794 ( -0.880 -0.000 -3.489) 3.599 3.149 ( -4.249 -0.000 4.877) 6.469 3.173 ( -6.377 -0.000 3.938) 7.495 3.553 ( 0.422 0.000 5.207) 5.224 4.073 ( -27.131 -0.000 1.331) 27.164 4.643 ( -2.146 -0.000 -0.392) 2.181 4.776 ( 5.521 0.000 0.421) 5.537 4.934 ( -1.853 -0.000 -6.680) 6.932 5.205 ( -4.817 -0.000 1.158) 4.954 5.328 ( 5.747 0.000 -3.819) 6.901 5.366 ( -6.508 -0.000 -2.680) 7.038 5.891 ( 8.319 0.000 -6.003) 10.258 6.302 ( 4.519 0.000 11.515) 12.370 7.758 ( 7.552 0.000 -4.966) 9.038 8.355 ( 7.064 0.000 3.027) 7.685 9.350 ( 6.817 0.000 -2.515) 7.266 9.977 ( -5.521 -0.000 0.001) 5.521 10.162 ( -4.887 -0.000 2.758) 5.611 10.647 ( -1.804 -0.000 -0.212) 1.817 10.747 ( 1.485 0.000 -1.110) 1.854 13.158 ( -1.194 -0.000 0.242) 1.218 13.240 ( -0.009 -0.000 2.593) 2.593 13.358 ( -0.193 -0.000 -2.843) 2.850 13.651 ( -0.802 -0.000 -3.188) 3.288 13.986 ( -0.841 -0.000 0.597) 1.031 13.993 ( 0.095 0.000 -1.074) 1.078 ======================= Grid point 114 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 5.186 0.024 0.871) 5.259 1.211 ( 0.144 -0.070 0.998) 1.011 1.530 ( 2.138 3.038 -1.897) 4.171 1.594 ( -5.809 0.748 0.158) 5.859 1.741 ( -1.776 -0.443 -2.682) 3.247 1.857 ( 0.309 0.155 -2.833) 2.854 2.026 ( 0.098 0.748 2.723) 2.826 2.190 ( -6.696 2.670 0.847) 7.258 2.267 ( -4.858 -2.173 -0.588) 5.354 2.334 ( 3.658 -0.367 -2.226) 4.298 2.786 ( 1.688 0.452 -5.345) 5.623 2.906 ( -13.491 15.122 7.995) 21.785 3.071 ( -6.124 2.578 2.185) 6.995 3.573 ( -1.094 -0.608 6.277) 6.400 3.742 ( -23.612 -14.437 1.614) 27.722 4.593 ( -3.094 0.559 -0.186) 3.149 4.819 ( 3.259 6.051 -0.199) 6.876 4.891 ( -1.128 -1.017 -6.055) 6.243 5.154 ( -1.858 -1.714 0.636) 2.607 5.248 ( -7.302 -0.351 -2.737) 7.806 5.360 ( 1.813 2.160 -3.558) 4.540 5.975 ( 6.427 2.476 -5.245) 8.657 6.463 ( 6.892 -3.381 9.622) 12.309 7.879 ( 8.372 -0.740 -4.499) 9.533 8.503 ( 8.803 -1.102 2.377) 9.185 9.468 ( 6.365 -2.091 0.832) 6.751 9.857 ( -5.152 4.511 -2.970) 7.464 10.112 ( -4.559 -3.349 1.681) 5.901 10.591 ( -3.699 1.939 0.875) 4.267 10.760 ( 0.553 0.086 -0.803) 0.979 13.139 ( -1.073 0.156 0.475) 1.184 13.243 ( -0.085 0.477 2.431) 2.479 13.352 ( -0.076 -0.666 -2.763) 2.844 13.625 ( -1.123 0.166 -2.984) 3.192 13.972 ( -0.767 0.334 0.843) 1.187 13.995 ( 0.441 -0.214 -1.263) 1.355 ======================= Grid point 115 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -6.613 3.906 4.039) 8.678 1.202 ( -16.048 10.399 4.960) 19.756 1.370 ( 4.032 -3.790 -0.930) 5.611 1.634 ( 0.251 1.307 1.572) 2.060 1.726 ( -0.806 -1.496 -4.821) 5.112 1.864 ( 2.041 -0.630 -2.165) 3.042 2.022 ( -0.594 1.308 2.763) 3.115 2.064 ( -4.387 3.024 1.437) 5.519 2.162 ( -7.653 4.316 3.711) 9.538 2.336 ( -2.236 -0.678 -2.394) 3.345 2.601 ( -3.124 2.692 0.919) 4.226 2.833 ( 3.558 0.444 -7.090) 7.945 2.938 ( -6.015 0.539 4.572) 7.574 3.566 ( -1.436 0.666 4.355) 4.634 3.697 ( -19.047 -22.057 4.273) 29.455 4.545 ( -2.895 -0.708 0.516) 3.025 4.713 ( -2.845 7.065 -0.411) 7.628 4.892 ( 2.006 -0.251 -7.345) 7.618 5.137 ( -6.421 -1.636 -2.972) 7.262 5.206 ( 2.765 -2.359 0.025) 3.635 5.330 ( -0.680 1.134 -2.187) 2.556 5.989 ( 4.034 5.033 -4.384) 7.799 6.628 ( 6.263 -0.837 7.977) 10.177 7.989 ( 7.141 1.220 -4.819) 8.700 8.648 ( 6.785 0.043 2.832) 7.352 9.601 ( 5.233 -2.295 1.414) 5.886 9.687 ( -4.783 6.024 -2.541) 8.101 10.132 ( -1.212 -6.031 -0.934) 6.222 10.490 ( -5.236 2.719 1.985) 6.225 10.758 ( -0.583 -0.225 -0.696) 0.935 13.126 ( -0.574 -0.012 0.756) 0.949 13.240 ( -0.204 0.667 2.009) 2.127 13.356 ( 0.027 -0.989 -2.465) 2.656 13.600 ( -0.830 -0.287 -2.382) 2.539 13.960 ( -0.414 0.378 0.768) 0.951 14.004 ( 0.649 -0.278 -1.233) 1.421 ======================= Grid point 122 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -9.783 -0.000 2.393) 10.072 1.277 ( 4.445 0.000 1.208) 4.606 1.380 ( -14.452 -0.000 -1.003) 14.487 1.647 ( 2.472 0.000 2.330) 3.397 1.726 ( 0.920 0.000 -7.591) 7.647 1.868 ( 1.712 0.000 -3.144) 3.580 2.022 ( -1.347 -0.000 2.066) 2.466 2.141 ( -4.106 -0.000 4.364) 5.992 2.162 ( -3.384 -0.000 -1.766) 3.817 2.387 ( 2.742 0.000 -3.007) 4.070 2.817 ( 4.135 0.000 -7.416) 8.491 2.880 ( -11.249 -0.000 11.196) 15.871 3.016 ( -6.713 -0.000 -0.865) 6.768 3.073 ( -35.208 -0.000 6.921) 35.882 3.575 ( -1.662 -0.000 4.972) 5.242 4.529 ( -4.847 -0.000 -0.054) 4.848 4.799 ( -5.346 -0.000 -3.263) 6.263 4.958 ( 5.132 0.000 -3.301) 6.102 5.101 ( -1.019 -0.000 -0.039) 1.019 5.113 ( -7.729 -0.000 -1.983) 7.980 5.373 ( -0.981 -0.000 -4.963) 5.059 6.065 ( 4.498 0.000 -5.224) 6.894 6.618 ( 10.488 0.000 8.586) 13.554 8.006 ( 9.360 0.000 -4.114) 10.224 8.653 ( 9.239 0.000 2.568) 9.589 9.552 ( 4.772 0.000 5.420) 7.221 9.829 ( -1.252 -0.000 -8.728) 8.817 10.003 ( -5.192 -0.000 1.933) 5.540 10.533 ( -5.769 -0.000 1.442) 5.947 10.751 ( -1.432 -0.000 -0.213) 1.448 13.127 ( -0.784 -0.000 0.699) 1.050 13.253 ( -0.200 -0.000 2.445) 2.453 13.338 ( 0.136 0.000 -2.913) 2.916 13.596 ( -1.526 -0.000 -2.628) 3.039 13.966 ( -0.631 -0.000 0.964) 1.152 14.000 ( 0.828 0.000 -1.451) 1.671 ======================= Grid point 123 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -12.265 -2.755 5.872) 13.875 1.055 ( -19.151 6.849 5.526) 21.076 1.345 ( -1.773 -1.919 -0.242) 2.624 1.613 ( -7.932 2.016 1.142) 8.263 1.703 ( 1.196 0.332 -4.455) 4.624 1.889 ( 2.539 0.095 -2.888) 3.846 2.017 ( -1.309 0.033 1.726) 2.166 2.100 ( 0.656 3.741 3.440) 5.124 2.122 ( -3.694 1.882 3.013) 5.125 2.280 ( -8.431 5.455 -1.014) 10.093 2.563 ( -6.547 -1.935 -1.198) 6.931 2.804 ( -9.114 1.278 4.813) 10.385 2.915 ( 6.139 -2.827 -5.291) 8.584 3.043 ( -17.447 -21.850 3.837) 28.223 3.559 ( -2.311 0.380 6.425) 6.839 4.459 ( -5.291 -1.790 0.562) 5.613 4.683 ( -7.296 2.067 -0.674) 7.613 4.936 ( 1.222 4.261 -9.415) 10.407 5.002 ( -6.147 -1.118 -1.615) 6.453 5.180 ( 2.601 -6.832 -2.017) 7.583 5.320 ( -2.144 1.124 -2.651) 3.590 6.080 ( 2.000 2.830 -5.039) 6.116 6.799 ( 9.953 1.576 7.335) 12.464 8.124 ( 8.275 1.954 -4.497) 9.618 8.778 ( 6.007 1.713 3.670) 7.244 9.644 ( 2.034 -1.878 8.028) 8.492 9.735 ( 1.305 7.582 -9.508) 12.231 10.012 ( -1.156 -7.447 -1.498) 7.684 10.426 ( -6.997 1.169 2.147) 7.412 10.720 ( -2.974 -0.774 -0.136) 3.076 13.121 ( -0.327 -0.092 0.930) 0.990 13.251 ( -0.326 0.591 2.141) 2.244 13.339 ( 0.392 -0.641 -2.594) 2.700 13.568 ( -1.344 -0.687 -2.071) 2.563 13.959 ( -0.399 0.125 0.758) 0.866 14.011 ( 0.988 -0.059 -1.462) 1.765 ======================= Grid point 131 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -15.895 -0.000 10.940) 19.296 0.831 ( -18.590 -0.000 9.168) 20.728 1.265 ( -7.106 -0.000 0.053) 7.106 1.393 ( -24.127 -0.000 9.123) 25.794 1.719 ( 1.367 0.000 -2.779) 3.097 1.940 ( 4.641 0.000 -2.915) 5.481 1.968 ( -9.219 -0.000 3.362) 9.813 2.139 ( -0.204 -0.000 10.080) 10.082 2.142 ( 2.623 0.000 -3.544) 4.409 2.187 ( -7.454 -0.000 0.286) 7.460 2.318 ( -5.415 -0.000 1.799) 5.706 2.734 ( -7.068 -0.000 4.484) 8.371 2.762 ( -2.780 -0.000 -0.235) 2.790 2.990 ( 8.415 0.000 -7.944) 11.573 3.546 ( -2.507 -0.000 8.878) 9.225 4.355 ( -5.816 -0.000 0.381) 5.828 4.585 ( -6.559 -0.000 -0.287) 6.565 4.859 ( -7.308 -0.000 -15.108) 16.782 4.945 ( -5.685 -0.000 -8.012) 9.824 5.137 ( 3.053 0.000 -2.226) 3.778 5.298 ( -0.596 -0.000 1.753) 1.852 6.097 ( -0.181 -0.000 -5.906) 5.908 6.981 ( 8.240 0.000 6.981) 10.799 8.252 ( 7.310 0.000 -5.160) 8.948 8.883 ( 3.476 0.000 5.131) 6.198 9.677 ( 1.695 0.000 2.988) 3.435 9.831 ( 3.968 0.000 -7.658) 8.625 9.924 ( 0.335 0.000 0.062) 0.340 10.323 ( -7.508 -0.000 2.808) 8.016 10.654 ( -4.281 -0.000 -0.405) 4.300 13.120 ( -0.096 -0.000 1.089) 1.093 13.258 ( -0.212 -0.000 2.440) 2.450 13.337 ( 0.820 0.000 -2.295) 2.437 13.534 ( -1.373 -0.000 -1.711) 2.193 13.956 ( -0.352 -0.000 0.453) 0.573 14.022 ( 1.040 0.000 -1.538) 1.857 ======================= Grid point 132 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -2.998 -0.000 16.984) 17.247 0.870 ( -10.191 -0.000 20.075) 22.514 1.135 ( 4.637 0.000 1.933) 5.023 1.440 ( -4.701 -0.000 26.039) 26.460 1.673 ( 0.547 0.000 -0.964) 1.108 1.837 ( 0.103 0.000 2.106) 2.109 2.031 ( 0.016 0.000 -1.073) 1.073 2.097 ( -0.069 -0.000 -2.570) 2.571 2.100 ( 1.307 0.000 -2.037) 2.420 2.233 ( 3.771 0.000 -5.958) 7.051 2.514 ( -4.346 -0.000 2.932) 5.243 2.538 ( -0.461 -0.000 3.946) 3.973 2.823 ( -0.636 -0.000 0.617) 0.886 3.025 ( 6.860 0.000 -9.976) 12.107 3.850 ( -3.310 -0.000 9.642) 10.194 4.204 ( -1.944 -0.000 -1.695) 2.579 4.240 ( 8.769 0.000 0.229) 8.772 4.450 ( -0.510 -0.000 -1.251) 1.351 4.836 ( 0.107 0.000 -0.037) 0.113 5.102 ( 1.993 0.000 -7.049) 7.325 5.421 ( 3.372 0.000 3.110) 4.588 5.798 ( -3.592 -0.000 -11.381) 11.934 7.348 ( -0.514 -0.000 11.637) 11.648 8.133 ( -0.130 -0.000 -12.429) 12.430 9.021 ( -2.395 -0.000 5.133) 5.664 9.474 ( -1.737 -0.000 -9.486) 9.644 9.947 ( 0.084 0.000 1.869) 1.871 9.992 ( 3.153 0.000 0.761) 3.243 10.277 ( -0.360 -0.000 5.324) 5.336 10.516 ( -0.786 -0.000 -2.218) 2.353 13.159 ( -0.341 -0.000 2.260) 2.286 13.318 ( 1.242 0.000 -2.390) 2.693 13.323 ( -0.730 -0.000 1.591) 1.751 13.465 ( 0.738 0.000 -2.447) 2.556 13.941 ( -0.724 -0.000 -0.068) 0.727 14.005 ( 0.874 0.000 -1.947) 2.134 ======================= Grid point 133 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -1.888 -5.332 16.722) 17.653 0.913 ( 12.311 -2.981 7.936) 14.947 1.240 ( 8.380 2.207 2.418) 8.997 1.448 ( -7.030 -3.195 18.627) 20.164 1.766 ( 5.939 -3.248 -4.004) 7.864 1.879 ( 3.230 -0.059 4.544) 5.575 1.990 ( -2.411 0.504 -1.310) 2.790 2.054 ( -1.195 1.969 -1.167) 2.582 2.170 ( 4.264 -6.408 -1.780) 7.900 2.316 ( 5.293 0.182 -4.492) 6.945 2.443 ( -4.390 2.739 5.639) 7.653 2.551 ( -1.288 -7.427 5.155) 9.132 2.783 ( 0.861 4.935 -1.417) 5.206 3.156 ( 5.417 -7.033 -5.695) 10.547 3.795 ( -3.591 2.441 12.813) 13.529 4.219 ( 2.851 -1.914 -2.743) 4.395 4.361 ( 8.019 3.909 -1.149) 8.995 4.612 ( 8.768 -10.904 -6.754) 15.536 4.874 ( 2.494 -2.423 -0.040) 3.477 5.118 ( 0.086 -2.691 -6.397) 6.941 5.478 ( 3.374 1.618 3.763) 5.307 5.704 ( -2.418 0.575 -12.656) 12.898 7.322 ( -5.010 2.831 11.831) 13.156 8.039 ( -3.130 3.580 -12.449) 13.327 8.961 ( -3.100 4.272 6.167) 8.118 9.408 ( -3.693 -1.116 -8.136) 9.004 9.926 ( -0.571 2.849 2.371) 3.750 10.079 ( 4.756 -3.294 -1.299) 5.929 10.330 ( 1.388 -2.747 5.819) 6.583 10.522 ( 1.700 -0.797 -2.617) 3.220 13.160 ( -0.412 -0.015 2.207) 2.246 13.301 ( -0.991 1.054 1.203) 1.881 13.332 ( 0.828 -0.438 -2.044) 2.248 13.485 ( 1.544 -1.048 -2.445) 3.075 13.931 ( -0.540 -0.189 -0.156) 0.592 14.011 ( 0.665 0.159 -1.608) 1.747 ======================= Grid point 134 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.904 -6.014 14.212) 15.459 1.159 ( 12.263 0.632 -1.622) 12.386 1.317 ( 5.175 2.720 1.677) 6.082 1.467 ( -0.645 -2.758 13.509) 13.803 1.854 ( 2.363 -1.860 -2.616) 3.986 1.907 ( -1.197 -1.694 -0.432) 2.119 1.949 ( -1.303 1.186 -0.519) 1.837 2.010 ( -1.245 1.058 -0.678) 1.768 2.299 ( -3.913 1.355 2.069) 4.629 2.350 ( 3.490 -5.449 -2.734) 7.024 2.427 ( 1.045 -0.763 0.819) 1.531 2.735 ( 5.934 7.265 -3.315) 9.949 2.810 ( 10.146 -18.567 3.666) 21.473 3.297 ( 1.315 -4.153 1.993) 4.790 3.778 ( -0.639 -0.006 13.438) 13.453 4.315 ( 6.150 -2.645 -3.618) 7.610 4.443 ( 6.516 0.300 -0.871) 6.581 4.841 ( 6.191 -7.000 -7.639) 12.070 4.970 ( 3.936 -3.624 0.196) 5.354 5.142 ( -0.838 -4.295 -5.427) 6.971 5.465 ( -0.785 4.814 0.070) 4.879 5.664 ( 1.762 -0.749 -8.362) 8.579 7.190 ( -8.324 5.653 11.986) 15.650 7.888 ( -3.386 4.207 -12.224) 13.364 8.859 ( -2.436 6.072 6.120) 8.959 9.348 ( -4.437 -3.000 -7.582) 9.283 9.887 ( 0.315 3.401 3.001) 4.546 10.191 ( 3.572 -2.970 -2.200) 5.140 10.410 ( 1.147 -3.136 5.679) 6.588 10.572 ( 3.535 -1.406 -2.911) 4.790 13.159 ( -0.435 0.062 2.020) 2.067 13.279 ( -0.827 0.674 1.690) 1.999 13.343 ( 0.547 -0.386 -2.127) 2.230 13.519 ( 1.935 -0.908 -2.865) 3.574 13.930 ( -0.248 -0.557 -0.030) 0.610 14.011 ( 0.427 0.442 -1.193) 1.342 ======================= Grid point 135 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -2.748 -3.033 10.685) 11.442 1.226 ( 2.285 2.644 2.450) 4.268 1.395 ( 6.624 1.960 0.484) 6.925 1.553 ( 1.730 -1.971 7.749) 8.181 1.870 ( 1.130 1.555 0.263) 1.940 1.893 ( -2.345 1.019 -2.041) 3.271 1.944 ( -0.685 -3.371 -0.434) 3.467 1.994 ( 0.116 -0.708 -1.024) 1.251 2.224 ( -5.204 -0.060 3.822) 6.457 2.408 ( -2.523 0.420 -1.815) 3.137 2.441 ( -0.026 -5.496 -1.814) 5.788 2.748 ( 9.377 7.406 -5.245) 13.049 3.249 ( 7.204 -7.315 1.604) 10.391 3.314 ( 0.435 -5.518 5.662) 7.918 3.884 ( 4.955 -5.489 9.021) 11.664 4.446 ( 5.898 -2.965 -2.866) 7.196 4.534 ( 4.575 -0.332 -0.444) 4.609 4.927 ( 0.001 -0.451 -6.752) 6.767 5.092 ( 4.004 -3.779 -1.057) 5.607 5.166 ( -0.575 -2.144 -4.194) 4.745 5.364 ( -2.493 3.050 -1.154) 4.105 5.697 ( 2.662 -0.919 -4.299) 5.140 7.004 ( -8.458 6.120 12.360) 16.179 7.770 ( -0.923 1.565 -12.098) 12.234 8.775 ( -0.422 4.681 6.118) 7.715 9.308 ( -4.327 -4.610 -7.892) 10.113 9.861 ( 1.153 3.434 3.638) 5.134 10.247 ( 1.691 -0.241 -2.053) 2.671 10.476 ( -0.457 -2.398 5.338) 5.869 10.645 ( 3.860 -1.766 -3.228) 5.333 13.157 ( -0.353 0.161 1.739) 1.782 13.267 ( -0.551 0.214 1.838) 1.930 13.346 ( 0.114 -0.089 -1.900) 1.905 13.548 ( 1.784 -0.134 -3.251) 3.711 13.939 ( 0.036 -0.885 0.202) 0.909 14.005 ( 0.275 0.695 -0.946) 1.206 ======================= Grid point 136 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -4.562 -2.863 6.323) 8.306 1.231 ( 0.051 2.216 10.725) 10.952 1.424 ( 0.682 1.752 -1.589) 2.462 1.590 ( -3.691 -2.092 4.312) 6.049 1.820 ( -2.297 3.537 -0.594) 4.259 1.879 ( 2.812 1.559 -0.645) 3.279 1.961 ( -1.681 -2.289 0.037) 2.841 2.021 ( 1.447 -1.049 -1.095) 2.096 2.168 ( -4.448 -1.084 5.214) 6.939 2.338 ( -3.551 1.064 -2.896) 4.705 2.517 ( 0.639 -4.990 -0.651) 5.072 2.757 ( 7.090 7.798 -7.516) 12.945 3.175 ( -4.807 5.388 10.615) 12.838 3.535 ( 3.118 -5.615 -0.347) 6.432 4.076 ( 3.387 -2.671 3.500) 5.555 4.520 ( -0.424 -0.738 -1.768) 1.963 4.580 ( 2.158 0.751 0.349) 2.312 4.822 ( -3.073 4.891 -7.213) 9.241 5.109 ( -2.472 0.473 -2.322) 3.424 5.210 ( 3.873 -0.500 -2.131) 4.449 5.323 ( -1.386 0.040 -0.141) 1.394 5.752 ( 2.356 -3.668 -4.266) 6.099 6.874 ( -3.715 2.599 12.419) 13.221 7.758 ( 2.914 -2.913 -11.764) 12.465 8.762 ( 1.768 1.462 6.508) 6.900 9.295 ( -3.489 -6.102 -8.724) 11.203 9.849 ( 1.848 3.423 4.106) 5.656 10.246 ( 1.510 2.965 -1.635) 3.708 10.484 ( -3.601 -1.262 4.414) 5.834 10.707 ( 2.129 -1.080 -2.834) 3.705 13.155 ( -0.184 0.230 1.660) 1.686 13.266 ( -0.233 -0.118 1.598) 1.619 13.337 ( -0.391 0.273 -1.343) 1.425 13.557 ( 1.268 0.737 -3.473) 3.770 13.954 ( 0.050 -0.839 0.406) 0.934 13.996 ( 0.321 0.759 -1.017) 1.309 ======================= Grid point 137 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -5.808 -2.228 7.327) 9.612 1.223 ( -2.775 1.787 11.615) 12.075 1.370 ( -4.711 0.593 -1.112) 4.876 1.530 ( -7.063 -1.336 2.444) 7.592 1.730 ( -1.637 3.618 1.049) 4.108 1.886 ( 1.033 1.668 -1.145) 2.272 1.983 ( 0.785 -2.208 -1.767) 2.935 2.048 ( 0.715 -0.115 0.902) 1.157 2.151 ( -2.599 -2.273 6.534) 7.390 2.255 ( -3.113 1.983 -2.668) 4.554 2.581 ( 1.155 -1.052 -0.518) 1.646 2.706 ( 0.742 3.944 -6.670) 7.785 3.075 ( -0.122 6.469 5.091) 8.233 3.578 ( -2.419 2.007 0.158) 3.147 3.889 ( -13.847 14.695 10.887) 22.939 4.512 ( -3.151 -3.947 -5.076) 7.161 4.567 ( -1.531 3.216 1.666) 3.933 4.743 ( 1.032 2.405 -7.908) 8.329 5.033 ( -3.662 2.657 -0.988) 4.631 5.240 ( 2.336 2.529 -4.664) 5.797 5.300 ( -0.164 0.364 0.686) 0.794 5.835 ( 1.226 -5.384 -5.855) 8.048 6.913 ( 3.372 -2.928 11.685) 12.509 7.855 ( 5.323 -5.859 -11.118) 13.648 8.822 ( 2.604 -1.761 6.804) 7.495 9.322 ( -1.490 -7.664 -9.669) 12.427 9.851 ( 2.759 3.207 4.321) 6.047 10.199 ( 1.077 6.418 -0.921) 6.573 10.435 ( -5.702 -0.967 3.407) 6.712 10.714 ( -0.822 0.497 -2.389) 2.575 13.155 ( -0.079 0.262 1.874) 1.894 13.273 ( 0.195 -0.363 1.162) 1.233 13.320 ( -0.688 0.361 -0.609) 0.988 13.546 ( 0.620 1.465 -3.582) 3.919 13.963 ( -0.252 -0.488 0.504) 0.746 13.990 ( 0.568 0.580 -1.357) 1.582 ======================= Grid point 138 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -7.298 0.413 9.812) 12.235 1.112 ( -12.044 3.199 14.652) 19.235 1.263 ( -7.919 -0.105 0.754) 7.956 1.471 ( -1.875 0.114 2.053) 2.783 1.711 ( 1.358 -0.349 0.666) 1.553 1.885 ( 2.591 0.779 -1.476) 3.082 1.992 ( -2.657 0.038 -0.078) 2.658 2.061 ( -1.728 -2.908 2.439) 4.170 2.168 ( -0.984 3.498 -1.412) 3.898 2.209 ( 0.902 -4.344 4.457) 6.289 2.519 ( -3.287 5.706 -1.815) 6.830 2.696 ( -0.785 -3.571 -2.502) 4.431 3.016 ( 4.437 8.262 -1.743) 9.539 3.199 ( -16.483 21.889 5.449) 27.938 3.729 ( -2.639 -1.719 12.651) 13.037 4.444 ( -8.557 -1.227 -3.732) 9.416 4.459 ( -5.038 4.439 0.242) 6.719 4.679 ( -0.349 5.030 -8.415) 9.810 4.934 ( -2.980 2.861 -0.229) 4.137 5.184 ( 1.028 5.593 -6.447) 8.596 5.322 ( 1.420 -0.719 1.243) 2.020 5.885 ( -0.897 -4.093 -7.916) 8.957 7.094 ( 6.495 -4.899 10.839) 13.553 7.995 ( 5.488 -6.160 -11.199) 13.909 8.917 ( 1.351 -3.757 6.640) 7.748 9.403 ( 1.303 -8.135 -10.471) 13.324 9.876 ( 3.885 2.431 4.102) 6.151 10.093 ( -1.269 7.908 0.284) 8.014 10.369 ( -4.746 -0.342 2.704) 5.473 10.656 ( -3.351 1.781 -2.116) 4.345 13.156 ( -0.133 0.247 2.137) 2.155 13.289 ( 0.737 -0.456 0.503) 1.002 13.307 ( -0.559 -0.101 0.302) 0.643 13.516 ( 0.064 1.890 -3.469) 3.951 13.962 ( -0.598 -0.154 0.425) 0.749 13.990 ( 0.842 0.278 -1.762) 1.973 ======================= Grid point 139 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -12.466 2.473 14.168) 19.033 0.955 ( -8.041 0.090 19.290) 20.899 1.148 ( -6.371 -0.147 0.816) 6.425 1.458 ( -0.782 2.493 10.135) 10.466 1.724 ( -0.968 2.222 3.112) 3.945 1.885 ( -8.935 -0.833 4.650) 10.107 1.966 ( 5.960 -0.714 -1.940) 6.308 2.065 ( -1.353 -2.053 -1.819) 3.058 2.126 ( 1.815 2.746 -3.225) 4.608 2.275 ( -2.774 -0.091 -2.013) 3.429 2.441 ( 3.496 -1.039 5.733) 6.795 2.652 ( -6.731 6.165 1.705) 9.286 2.821 ( -2.981 1.567 2.208) 4.027 2.998 ( 7.024 7.265 -6.651) 12.098 3.790 ( -0.020 -3.687 12.726) 13.250 4.285 ( -9.671 0.435 -4.042) 10.490 4.305 ( -5.082 4.784 -0.012) 6.979 4.545 ( -1.947 7.169 -4.518) 8.695 4.865 ( -1.832 1.701 -0.138) 2.504 5.114 ( 2.241 4.034 -6.995) 8.380 5.364 ( 2.185 -0.558 2.216) 3.161 5.870 ( -2.817 -1.915 -9.731) 10.310 7.269 ( 3.971 -2.569 10.912) 11.893 8.110 ( 3.707 -4.194 -11.989) 13.231 8.998 ( -0.514 -3.747 5.591) 6.750 9.489 ( 1.294 -4.038 -10.924) 11.718 9.929 ( 4.055 0.867 2.951) 5.090 9.977 ( -1.481 4.087 1.550) 4.615 10.310 ( -3.072 1.401 3.430) 4.813 10.566 ( -3.477 1.475 -1.932) 4.242 13.157 ( -0.250 0.129 2.250) 2.267 13.305 ( 1.326 0.180 -2.379) 2.729 13.314 ( -0.349 -1.195 2.797) 3.062 13.480 ( -0.005 1.560 -3.028) 3.406 13.953 ( -0.765 0.009 0.183) 0.786 13.997 ( 0.958 0.045 -2.008) 2.225 ======================= Grid point 141 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 9.988 0.000 10.541) 14.521 1.143 ( 15.375 0.000 4.254) 15.953 1.391 ( 6.417 0.000 2.866) 7.028 1.407 ( -2.537 -0.000 12.576) 12.830 1.798 ( 2.095 0.000 -5.737) 6.108 1.929 ( -2.335 -0.000 -3.907) 4.552 1.951 ( 1.882 0.000 3.859) 4.294 2.082 ( -0.131 -0.000 -0.327) 0.352 2.202 ( 8.532 0.000 1.652) 8.691 2.365 ( 1.282 0.000 -0.368) 1.333 2.423 ( -1.193 -0.000 10.483) 10.551 2.480 ( -0.684 -0.000 -0.275) 0.737 2.903 ( 7.934 0.000 -0.210) 7.937 3.165 ( 5.474 0.000 -5.800) 7.975 3.796 ( -3.366 -0.000 15.572) 15.932 4.274 ( 6.956 0.000 -2.868) 7.524 4.547 ( 6.937 0.000 -2.330) 7.317 4.643 ( 10.572 0.000 -9.504) 14.216 4.916 ( 5.021 0.000 -0.476) 5.044 5.071 ( -1.460 -0.000 -4.354) 4.592 5.561 ( 3.326 0.000 4.539) 5.627 5.631 ( -1.571 -0.000 -14.447) 14.532 7.271 ( -8.747 -0.000 13.073) 15.729 7.951 ( -5.633 -0.000 -12.869) 14.048 8.955 ( -4.160 -0.000 6.889) 8.047 9.291 ( -6.139 -0.000 -6.270) 8.775 9.955 ( -0.046 -0.000 1.096) 1.097 10.135 ( 6.623 0.000 -3.666) 7.570 10.361 ( 1.973 0.000 7.105) 7.374 10.551 ( 3.550 0.000 -2.639) 4.424 13.161 ( -0.317 -0.000 2.109) 2.133 13.294 ( -1.366 -0.000 1.774) 2.240 13.333 ( 0.774 0.000 -2.828) 2.932 13.505 ( 2.610 0.000 -2.178) 3.400 13.922 ( -0.329 -0.000 -0.245) 0.411 14.018 ( 0.547 0.000 -1.230) 1.346 ======================= Grid point 142 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 12.168 3.648 6.922) 14.467 1.323 ( 5.371 3.097 -1.717) 6.433 1.423 ( 4.800 0.578 4.940) 6.912 1.484 ( 0.614 -2.958 7.096) 7.712 1.803 ( -1.728 -3.029 -4.568) 5.747 1.907 ( 1.211 -0.031 -2.738) 2.994 1.974 ( 2.565 1.892 1.809) 3.665 2.040 ( 1.211 5.427 -0.405) 5.575 2.254 ( -3.931 -0.537 4.000) 5.634 2.364 ( 2.120 0.822 -0.813) 2.415 2.416 ( -1.569 1.439 -1.725) 2.740 2.762 ( 15.328 -17.365 3.780) 23.468 2.981 ( 10.201 8.057 -1.008) 13.038 3.276 ( 2.712 -4.036 1.225) 5.015 3.809 ( -0.314 -0.462 15.693) 15.703 4.399 ( 8.492 -0.807 -2.774) 8.970 4.599 ( 7.958 5.203 -4.054) 10.336 4.806 ( 4.385 -6.699 -7.254) 10.804 5.015 ( 5.783 -1.176 -0.654) 5.938 5.063 ( -0.175 -3.391 -2.807) 4.406 5.511 ( -1.365 5.775 -7.159) 9.298 5.653 ( 1.905 -2.927 -2.370) 4.221 7.133 ( -11.192 2.676 13.778) 17.951 7.809 ( -5.771 0.855 -13.064) 14.307 8.879 ( -5.401 2.315 7.261) 9.341 9.195 ( -5.830 -2.654 -6.369) 9.033 9.950 ( 1.358 2.108 0.820) 2.638 10.232 ( 5.694 -0.490 -3.408) 6.654 10.421 ( 1.541 -1.259 6.509) 6.807 10.609 ( 3.972 -0.687 -2.586) 4.789 13.162 ( -0.166 0.133 1.819) 1.832 13.278 ( -0.946 0.363 2.142) 2.369 13.338 ( 0.529 -0.312 -2.804) 2.871 13.544 ( 2.884 -0.091 -2.603) 3.886 13.921 ( 0.066 -0.328 -0.156) 0.369 14.020 ( 0.336 0.285 -0.828) 0.938 ======================= Grid point 143 (68/129) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 1.469 7.420 2.701) 8.031 1.354 ( 7.722 5.060 3.952) 10.043 1.446 ( -2.973 -0.294 -0.377) 3.011 1.553 ( 0.364 -1.000 5.299) 5.405 1.800 ( -3.675 -3.921 -1.249) 5.517 1.938 ( 3.842 1.513 -0.689) 4.186 1.986 ( 1.020 3.939 -1.198) 4.242 2.007 ( 4.226 2.247 0.767) 4.847 2.204 ( -0.976 2.467 4.298) 5.051 2.351 ( -2.530 0.980 -2.811) 3.907 2.410 ( 1.618 -2.592 -1.634) 3.466 3.011 ( 9.308 8.981 -3.599) 13.426 3.239 ( 11.919 -14.988 -1.199) 19.187 3.298 ( -3.083 2.277 9.127) 9.899 3.930 ( 6.397 -4.399 10.258) 12.864 4.520 ( 6.136 0.178 -1.538) 6.328 4.634 ( 4.897 3.273 -2.847) 6.542 4.890 ( 0.878 -2.051 -7.088) 7.431 5.090 ( 1.179 -2.534 -1.808) 3.329 5.160 ( 6.023 -2.535 -1.745) 6.764 5.369 ( -3.001 5.653 -4.206) 7.658 5.699 ( 0.617 -1.624 -2.547) 3.083 6.956 ( -10.497 2.875 13.987) 17.723 7.694 ( -3.461 -1.520 -12.895) 13.437 8.793 ( -5.089 0.684 7.581) 9.157 9.141 ( -4.631 -4.405 -7.302) 9.704 9.949 ( 2.863 3.269 1.283) 4.531 10.298 ( 4.263 0.822 -2.184) 4.860 10.463 ( -0.568 -0.319 5.233) 5.274 10.672 ( 3.144 -1.176 -2.604) 4.249 13.163 ( 0.056 0.289 1.489) 1.518 13.269 ( -0.546 0.260 2.408) 2.483 13.339 ( 0.191 -0.121 -2.615) 2.624 13.575 ( 2.371 0.477 -3.163) 3.982 13.933 ( 0.491 -0.588 0.019) 0.766 14.015 ( 0.152 0.534 -0.639) 0.846 ======================= Grid point 144 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -1.669 3.699 1.699) 4.399 1.354 ( -4.944 1.261 0.524) 5.129 1.377 ( -0.972 5.492 4.333) 7.063 1.558 ( 2.049 3.293 4.313) 5.801 1.792 ( -2.319 -1.510 -0.005) 2.767 1.937 ( 0.929 3.668 -1.240) 3.982 1.974 ( 2.351 1.561 0.110) 2.824 2.033 ( 1.131 -0.061 0.490) 1.234 2.194 ( 3.235 4.222 3.481) 6.357 2.288 ( -2.400 0.991 -2.680) 3.732 2.482 ( 2.270 -3.698 -1.181) 4.497 2.961 ( 2.237 10.966 -2.883) 11.558 3.237 ( 0.206 4.526 7.927) 9.131 3.496 ( 2.622 -6.583 0.810) 7.132 4.120 ( 4.377 -0.836 4.188) 6.115 4.537 ( -0.655 4.443 -0.826) 4.567 4.633 ( 0.743 2.193 0.273) 2.331 4.838 ( 0.129 4.729 -8.570) 9.789 5.094 ( -0.535 1.656 -0.702) 1.876 5.266 ( 4.581 -0.959 -3.406) 5.788 5.300 ( 0.026 0.086 -0.398) 0.408 5.713 ( -0.429 -2.598 -4.158) 4.922 6.853 ( -5.227 -1.145 13.352) 14.384 7.681 ( 0.099 -5.885 -12.291) 13.627 8.760 ( -3.965 -2.713 8.179) 9.485 9.130 ( -2.525 -5.737 -8.655) 10.686 9.956 ( 4.023 4.070 1.870) 6.021 10.335 ( 4.227 2.506 -1.837) 5.246 10.433 ( -4.266 1.410 4.630) 6.452 10.713 ( 1.017 -0.590 -2.361) 2.638 13.165 ( 0.203 0.400 1.429) 1.497 13.268 ( -0.298 0.026 2.622) 2.639 13.330 ( -0.084 0.277 -2.454) 2.471 13.584 ( 1.564 1.168 -3.618) 4.111 13.949 ( 0.496 -0.459 0.160) 0.694 14.007 ( 0.134 0.588 -0.766) 0.975 ======================= Grid point 145 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -4.406 0.348 0.694) 4.474 1.239 ( -5.119 7.444 9.040) 12.781 1.251 ( -8.455 -1.380 -1.202) 8.650 1.566 ( 6.699 6.747 1.262) 9.591 1.761 ( -0.420 2.865 3.048) 4.204 1.904 ( -0.253 1.120 0.502) 1.253 1.988 ( 2.100 0.790 -2.883) 3.653 2.067 ( 1.193 -1.810 -0.009) 2.167 2.172 ( 0.380 5.082 5.317) 7.364 2.242 ( 0.338 2.176 -1.519) 2.675 2.566 ( 1.844 -3.616 -0.963) 4.172 2.778 ( -3.997 10.624 -1.407) 11.438 3.228 ( 5.008 6.063 2.017) 8.118 3.555 ( -2.180 -0.391 1.308) 2.572 3.931 ( -12.985 17.026 10.752) 23.960 4.448 ( -2.239 2.847 -3.224) 4.849 4.592 ( -2.535 3.450 2.793) 5.112 4.795 ( 3.987 3.272 -9.361) 10.687 5.042 ( -0.973 4.043 0.368) 4.175 5.295 ( 1.307 1.283 -2.672) 3.239 5.313 ( 2.284 1.129 -2.250) 3.399 5.745 ( -0.786 -5.200 -6.545) 8.396 6.920 ( 1.430 -6.678 11.798) 13.633 7.773 ( 2.234 -9.005 -11.504) 14.779 8.787 ( -3.453 -5.491 8.456) 10.657 9.178 ( 0.940 -7.272 -9.814) 12.250 9.974 ( 4.995 4.346 2.285) 7.004 10.305 ( -3.248 6.403 0.584) 7.203 10.368 ( 0.076 0.578 2.132) 2.211 10.699 ( -1.660 0.998 -2.070) 2.835 13.166 ( 0.099 0.455 1.677) 1.740 13.274 ( -0.399 -0.310 3.195) 3.234 13.317 ( 0.254 0.498 -2.698) 2.755 13.570 ( 0.837 1.796 -3.925) 4.397 13.958 ( 0.055 -0.080 0.246) 0.264 14.000 ( 0.300 0.404 -1.133) 1.240 ======================= Grid point 146 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -8.322 0.968 3.744) 9.176 1.079 ( -3.115 7.362 9.956) 12.768 1.152 ( -5.723 0.901 1.079) 5.893 1.591 ( 6.678 5.487 -0.210) 8.645 1.750 ( 2.587 1.972 3.794) 4.997 1.897 ( -0.910 -0.127 1.477) 1.739 2.002 ( 2.160 0.820 -3.107) 3.872 2.041 ( -2.609 4.376 1.281) 5.254 2.181 ( 2.128 -1.936 1.365) 3.184 2.229 ( 2.713 2.550 2.867) 4.699 2.552 ( -4.162 7.985 -2.005) 9.225 2.639 ( -0.316 -2.742 -1.044) 2.951 3.205 ( -0.022 11.061 0.529) 11.073 3.274 ( -9.438 17.257 3.004) 19.897 3.710 ( -2.892 0.008 13.525) 13.830 4.338 ( -4.256 3.755 -2.731) 6.299 4.474 ( -4.377 6.012 2.781) 7.939 4.760 ( 3.458 6.633 -9.047) 11.739 4.963 ( -0.627 5.011 0.654) 5.092 5.258 ( 1.396 4.850 -6.406) 8.156 5.339 ( 1.773 -0.890 0.865) 2.164 5.773 ( -1.828 -4.727 -8.908) 10.249 7.111 ( 3.211 -8.467 10.450) 13.828 7.907 ( 2.247 -9.523 -11.552) 15.139 8.844 ( -3.547 -6.738 7.800) 10.901 9.300 ( 4.167 -8.077 -10.266) 13.711 10.007 ( 5.666 4.084 2.327) 7.362 10.129 ( -7.515 5.838 2.235) 9.775 10.372 ( 2.156 2.923 1.224) 3.833 10.627 ( -3.269 2.343 -1.826) 4.417 13.165 ( -0.215 0.420 1.983) 2.038 13.281 ( -0.831 -0.757 3.395) 3.576 13.314 ( 1.260 0.355 -2.716) 3.015 13.539 ( 0.362 2.238 -3.882) 4.496 13.955 ( -0.400 0.193 0.219) 0.495 13.999 ( 0.517 0.109 -1.533) 1.621 ======================= Grid point 147 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -0.321 3.447 8.472) 9.152 0.981 ( -3.188 8.320 15.244) 17.657 1.109 ( 2.289 -1.626 -0.330) 2.827 1.580 ( -2.132 6.077 10.012) 11.905 1.772 ( 0.781 3.858 1.346) 4.160 1.841 ( 1.257 3.772 3.477) 5.282 1.988 ( -0.374 -1.454 -0.464) 1.572 2.038 ( 1.425 -2.112 -2.422) 3.516 2.196 ( 3.146 3.881 -2.537) 5.603 2.276 ( 3.278 2.250 -2.236) 4.562 2.436 ( -2.227 -1.340 3.433) 4.306 2.653 ( -1.353 1.157 0.204) 1.792 2.827 ( -7.662 10.599 6.186) 14.468 3.196 ( 5.468 8.258 -4.068) 10.708 3.751 ( -1.746 -3.709 12.166) 12.838 4.231 ( -0.525 3.134 -2.221) 3.877 4.337 ( -1.680 6.021 1.933) 6.543 4.678 ( 4.704 9.824 -7.585) 13.273 4.898 ( 0.547 4.160 0.328) 4.208 5.183 ( 1.082 4.924 -7.411) 8.963 5.397 ( 2.650 -1.517 2.793) 4.138 5.759 ( -2.643 -2.687 -10.874) 11.509 7.272 ( -0.489 -5.920 10.497) 12.061 8.017 ( 0.402 -7.648 -12.132) 14.347 8.909 ( -3.125 -6.733 6.597) 9.931 9.427 ( 2.819 -4.526 -10.467) 11.747 9.958 ( -6.099 2.478 3.273) 7.352 10.049 ( 5.406 3.512 1.386) 6.594 10.354 ( 1.126 4.298 3.027) 5.376 10.545 ( -1.565 1.954 -2.098) 3.266 13.161 ( -0.424 0.222 2.161) 2.213 13.292 ( -0.658 -1.227 1.974) 2.415 13.325 ( 1.312 0.203 -1.775) 2.216 13.502 ( 0.486 2.110 -3.319) 3.963 13.944 ( -0.589 0.258 0.049) 0.645 14.004 ( 0.653 -0.115 -1.734) 1.856 ======================= Grid point 150 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.420 0.000 3.719) 3.743 1.378 ( -1.381 -0.000 -0.862) 1.628 1.442 ( 6.990 0.000 0.102) 6.991 1.534 ( 4.230 0.000 3.777) 5.670 1.721 ( -3.436 -0.000 -2.909) 4.502 1.917 ( 1.746 0.000 -3.221) 3.664 2.060 ( 4.334 0.000 2.279) 4.896 2.164 ( 6.200 0.000 -5.006) 7.969 2.203 ( -1.227 -0.000 3.310) 3.530 2.369 ( -0.058 -0.000 -2.846) 2.847 2.445 ( 1.142 0.000 2.002) 2.305 2.889 ( 16.611 0.000 1.396) 16.669 3.202 ( 7.512 0.000 4.254) 8.633 3.285 ( 1.844 0.000 1.433) 2.336 3.871 ( 3.718 0.000 15.380) 15.823 4.522 ( 7.884 0.000 -1.602) 8.045 4.745 ( 0.420 0.000 -6.535) 6.549 4.786 ( 8.703 0.000 -5.879) 10.503 5.027 ( 0.945 0.000 -0.456) 1.049 5.125 ( 8.100 0.000 -1.304) 8.205 5.519 ( -0.448 -0.000 -13.894) 13.901 5.633 ( -1.190 -0.000 4.347) 4.507 7.004 ( -12.874 -0.000 15.231) 19.943 7.673 ( -6.147 -0.000 -13.834) 15.138 8.803 ( -8.679 -0.000 8.444) 12.109 9.074 ( -4.250 -0.000 -7.347) 8.488 10.001 ( 3.328 0.000 -0.101) 3.329 10.306 ( 4.155 0.000 -0.580) 4.195 10.460 ( 2.143 0.000 3.967) 4.508 10.654 ( 3.065 0.000 -2.197) 3.771 13.168 ( 0.125 0.000 1.428) 1.433 13.274 ( -0.765 -0.000 2.802) 2.905 13.335 ( 0.580 0.000 -3.172) 3.225 13.582 ( 2.813 0.000 -3.050) 4.149 13.924 ( 0.651 0.000 -0.165) 0.672 14.023 ( 0.088 0.000 -0.488) 0.496 ======================= Grid point 151 (74/129) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -6.770 4.484 2.073) 8.381 1.326 ( -8.031 -1.432 -1.318) 8.264 1.535 ( -1.058 3.338 2.475) 4.288 1.613 ( 9.140 0.245 -0.808) 9.179 1.709 ( 0.056 -2.666 -0.976) 2.839 1.944 ( 1.024 -1.620 -2.272) 2.972 2.064 ( -0.791 3.697 2.265) 4.407 2.175 ( 3.628 4.736 -2.948) 6.655 2.262 ( 4.538 -0.073 -0.338) 4.551 2.394 ( 2.421 -2.215 -2.917) 4.390 2.436 ( 6.625 9.921 2.902) 12.277 3.184 ( 8.134 -3.275 -4.087) 9.674 3.256 ( 2.860 -1.123 5.048) 5.910 3.312 ( 0.325 0.406 7.334) 7.352 4.042 ( 10.307 -2.295 9.807) 14.411 4.612 ( 4.179 1.076 -0.114) 4.316 4.702 ( -0.688 2.044 -3.312) 3.952 4.903 ( 6.685 -0.252 -8.367) 10.713 5.082 ( 3.139 -2.146 0.186) 3.807 5.246 ( 6.992 0.072 -1.946) 7.258 5.404 ( -1.803 6.804 -7.035) 9.952 5.641 ( -2.933 -3.670 -0.586) 4.734 6.846 ( -11.844 0.264 15.620) 19.605 7.560 ( -4.063 -2.372 -13.827) 14.606 8.692 ( -9.178 -1.557 8.977) 12.932 9.016 ( -2.090 -2.201 -8.639) 9.156 10.051 ( 4.830 2.144 0.352) 5.296 10.353 ( 1.249 -0.141 3.311) 3.542 10.492 ( 1.860 1.630 0.195) 2.480 10.690 ( 1.580 -0.755 -2.101) 2.735 13.174 ( 0.344 0.197 1.079) 1.149 13.272 ( -0.521 0.156 3.201) 3.247 13.334 ( 0.428 0.025 -3.179) 3.208 13.607 ( 1.964 0.432 -3.647) 4.164 13.940 ( 1.152 -0.177 -0.135) 1.173 14.019 ( -0.158 0.245 -0.363) 0.466 ======================= Grid point 152 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -6.994 2.698 1.426) 7.630 1.199 ( -8.899 -1.504 -2.545) 9.377 1.432 ( -4.632 4.909 5.890) 8.959 1.728 ( 7.067 2.471 -3.754) 8.375 1.748 ( 1.014 -2.071 -0.747) 2.424 1.969 ( -0.516 -1.620 -1.388) 2.195 2.004 ( 0.845 4.085 1.730) 4.516 2.121 ( -0.653 3.868 -2.781) 4.809 2.323 ( 4.980 3.004 0.518) 5.839 2.406 ( 7.522 10.992 3.816) 13.855 2.473 ( 4.483 -1.006 -2.168) 5.080 3.083 ( -4.737 9.510 2.410) 10.894 3.333 ( 2.900 1.641 4.115) 5.295 3.442 ( 2.104 -6.790 1.985) 7.380 4.228 ( 5.652 3.091 5.230) 8.298 4.599 ( -0.702 5.483 -0.107) 5.528 4.654 ( -0.960 1.711 0.064) 1.963 4.907 ( 2.661 5.200 -8.971) 10.705 5.135 ( 2.053 2.115 0.881) 3.076 5.284 ( 2.096 0.160 -2.238) 3.070 5.362 ( 4.473 1.608 -3.223) 5.743 5.628 ( -3.611 -3.556 -4.296) 6.644 6.762 ( -6.899 -4.112 14.612) 16.674 7.544 ( -0.593 -6.512 -13.028) 14.577 8.631 ( -7.827 -4.974 9.204) 13.065 9.019 ( 0.705 -3.973 -9.757) 10.559 10.094 ( 5.459 3.676 1.333) 6.715 10.360 ( -3.355 0.037 6.384) 7.212 10.474 ( 2.812 4.346 -3.062) 6.014 10.705 ( -0.231 -0.495 -2.157) 2.225 13.179 ( 0.301 0.372 1.046) 1.150 13.273 ( -0.428 0.150 3.567) 3.595 13.328 ( 0.350 0.264 -3.204) 3.234 13.609 ( 1.105 0.936 -4.152) 4.397 13.959 ( 0.992 0.077 -0.084) 0.998 14.011 ( -0.237 0.297 -0.517) 0.641 ======================= Grid point 153 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -5.455 1.092 0.778) 5.618 1.091 ( -6.560 -1.676 -2.417) 7.189 1.326 ( -1.402 5.725 7.533) 9.565 1.718 ( 1.595 4.072 -4.927) 6.588 1.799 ( 1.656 -0.581 -1.762) 2.487 1.951 ( 0.128 2.613 2.958) 3.949 2.000 ( -0.381 0.313 -3.314) 3.351 2.078 ( 1.471 0.153 -0.161) 1.488 2.327 ( 2.269 5.366 1.609) 6.044 2.387 ( 9.790 12.408 4.081) 16.324 2.542 ( 1.970 -2.158 -1.476) 3.274 2.857 ( -5.168 11.304 -0.094) 12.430 3.358 ( 1.847 2.198 3.197) 4.296 3.515 ( -1.002 -1.359 1.096) 2.013 4.031 ( -10.443 19.047 11.450) 24.555 4.489 ( -0.794 6.530 -1.256) 6.697 4.606 ( -2.088 3.401 2.139) 4.528 4.896 ( 6.353 3.188 -9.921) 12.205 5.111 ( 0.973 4.894 1.495) 5.209 5.312 ( 0.847 0.048 0.436) 0.954 5.376 ( 2.438 2.701 -5.260) 6.396 5.628 ( -1.641 -5.289 -7.613) 9.414 6.842 ( -1.424 -9.834 12.543) 16.002 7.630 ( 1.642 -9.381 -12.069) 15.374 8.637 ( -6.187 -7.509 8.725) 13.068 9.096 ( 4.206 -6.000 -10.192) 12.553 10.130 ( 5.528 4.266 2.055) 7.279 10.262 ( -7.812 3.359 5.299) 10.020 10.468 ( 4.261 3.780 -1.994) 6.035 10.677 ( -2.071 1.021 -2.136) 3.145 13.178 ( -0.066 0.489 1.340) 1.428 13.274 ( -0.666 0.126 3.795) 3.855 13.323 ( 0.801 0.225 -3.141) 3.250 13.592 ( 0.527 1.440 -4.512) 4.766 13.965 ( 0.361 0.507 0.050) 0.624 14.002 ( -0.115 0.121 -0.867) 0.883 ======================= Grid point 154 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.050 1.178 2.321) 2.604 1.057 ( 1.704 -1.548 -2.469) 3.376 1.251 ( -0.184 8.134 8.236) 11.576 1.672 ( -0.105 2.337 -5.702) 6.163 1.804 ( -0.660 -0.005 1.778) 1.897 1.929 ( 0.719 2.043 2.702) 3.463 1.981 ( -1.119 -1.604 -2.760) 3.382 2.104 ( 1.334 2.848 -2.633) 4.102 2.295 ( 3.516 3.943 5.022) 7.289 2.385 ( 7.660 10.012 3.303) 13.032 2.574 ( -1.108 -0.056 -2.597) 2.824 2.633 ( -1.831 9.039 -2.482) 9.551 3.296 ( -7.620 11.378 2.395) 13.902 3.392 ( -1.429 8.456 2.620) 8.967 3.745 ( -2.629 6.140 15.455) 16.837 4.382 ( 0.161 7.075 -1.689) 7.276 4.510 ( -2.212 5.715 2.104) 6.479 4.897 ( 5.341 5.890 -9.390) 12.303 5.047 ( 0.632 6.070 1.531) 6.292 5.311 ( -0.210 2.412 -2.331) 3.361 5.355 ( 1.248 -0.127 -2.035) 2.391 5.659 ( -0.277 -4.227 -9.526) 10.426 7.021 ( -0.927 -11.424 10.850) 15.783 7.760 ( 1.811 -9.785 -11.829) 15.458 8.691 ( -4.457 -8.394 7.418) 12.056 9.247 ( 6.505 -7.142 -9.905) 13.836 10.074 ( -8.955 4.882 3.767) 10.873 10.167 ( 5.044 4.357 2.682) 7.185 10.473 ( 3.087 3.939 0.026) 5.005 10.608 ( -2.222 2.234 -2.238) 3.865 13.171 ( -0.508 0.475 1.724) 1.859 13.273 ( -0.703 -0.115 3.043) 3.125 13.329 ( 1.171 0.006 -2.296) 2.577 13.561 ( 0.293 1.851 -4.467) 4.845 13.958 ( -0.165 0.735 0.168) 0.772 13.999 ( 0.113 -0.165 -1.220) 1.237 ======================= Grid point 155 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 9.567 0.372 2.072) 9.796 1.123 ( -0.608 9.165 7.574) 11.905 1.173 ( 7.042 -0.478 0.637) 7.087 1.564 ( -7.902 3.673 7.114) 11.249 1.823 ( 1.879 -0.579 0.388) 2.004 1.941 ( 0.427 -0.716 1.338) 1.576 1.975 ( -0.236 2.049 -1.911) 2.812 2.028 ( -0.679 3.003 -2.472) 3.949 2.344 ( 3.806 5.998 -1.420) 7.244 2.372 ( 0.685 -1.478 7.498) 7.673 2.436 ( 1.560 9.594 -5.181) 11.015 2.625 ( 0.722 -3.308 -3.154) 4.627 2.969 ( -0.787 18.391 5.909) 19.333 3.335 ( 0.401 4.030 2.537) 4.779 3.744 ( 0.040 0.492 12.424) 12.434 4.307 ( 3.086 5.480 -3.022) 6.978 4.420 ( 1.154 5.372 1.541) 5.707 4.864 ( 5.809 6.813 -8.152) 12.108 4.987 ( 1.785 5.313 0.995) 5.692 5.234 ( -0.548 4.521 -6.349) 7.813 5.404 ( 0.686 -3.299 2.221) 4.035 5.671 ( 0.359 -1.734 -10.081) 10.235 7.157 ( -4.590 -8.893 10.722) 14.667 7.866 ( -0.104 -7.922 -11.956) 14.343 8.773 ( -2.564 -8.153 6.185) 10.550 9.390 ( 3.533 -3.557 -9.826) 11.031 9.900 ( -6.332 2.088 4.523) 8.057 10.188 ( 3.974 3.946 1.072) 5.702 10.443 ( 0.449 4.588 2.863) 5.426 10.562 ( 1.455 1.899 -2.913) 3.770 13.163 ( -0.623 0.228 1.978) 2.087 13.275 ( -0.629 -0.561 2.107) 2.269 13.340 ( 0.965 0.073 -1.786) 2.031 13.529 ( 0.726 1.760 -3.798) 4.248 13.943 ( -0.340 0.705 0.129) 0.793 14.003 ( 0.327 -0.391 -1.359) 1.451 ======================= Grid point 159 (79/129) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -9.346 -0.000 3.391) 9.942 1.175 ( -8.448 -0.000 -3.159) 9.019 1.493 ( -6.009 -0.000 5.346) 8.043 1.721 ( 2.864 0.000 -2.235) 3.633 1.747 ( 7.216 0.000 -3.679) 8.100 1.937 ( 0.401 0.000 -2.505) 2.537 2.085 ( -0.994 -0.000 4.593) 4.699 2.171 ( -2.670 -0.000 -4.033) 4.836 2.369 ( 6.340 0.000 0.072) 6.340 2.398 ( 1.514 0.000 -1.071) 1.854 2.715 ( 13.993 0.000 -2.028) 14.139 3.223 ( -7.172 -0.000 6.814) 9.893 3.272 ( 8.743 0.000 -2.003) 8.969 3.356 ( 0.308 0.000 6.437) 6.444 4.245 ( 13.435 0.000 5.824) 14.643 4.666 ( 1.435 0.000 0.419) 1.495 4.686 ( -1.107 -0.000 -1.850) 2.156 4.994 ( 5.859 0.000 -8.481) 10.308 5.137 ( 5.659 0.000 0.022) 5.659 5.341 ( 4.119 0.000 -1.747) 4.474 5.426 ( -0.077 -0.000 -9.400) 9.400 5.523 ( -6.251 -0.000 2.614) 6.776 6.705 ( -11.503 -0.000 16.335) 19.979 7.447 ( -1.840 -0.000 -14.131) 14.250 8.554 ( -9.576 -0.000 9.519) 13.502 8.962 ( 0.777 0.000 -9.875) 9.905 10.150 ( 5.316 0.000 0.845) 5.383 10.359 ( -2.247 -0.000 7.301) 7.639 10.543 ( 3.108 0.000 -3.557) 4.723 10.689 ( 0.048 0.000 -2.030) 2.031 13.184 ( 0.379 0.000 0.738) 0.830 13.276 ( -0.431 -0.000 3.694) 3.719 13.332 ( 0.423 0.000 -3.358) 3.384 13.622 ( 1.084 0.000 -4.163) 4.302 13.960 ( 1.475 0.000 -0.274) 1.500 14.015 ( -0.457 -0.000 -0.265) 0.528 ======================= Grid point 160 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -6.770 1.623 2.371) 7.355 1.059 ( -4.854 -0.526 -2.702) 5.580 1.415 ( -4.928 0.956 7.214) 8.789 1.755 ( 1.834 -0.034 -1.681) 2.487 1.812 ( 3.172 0.691 -5.485) 6.374 1.936 ( -0.451 -1.033 -3.296) 3.483 2.071 ( -0.169 2.573 3.327) 4.210 2.112 ( -1.608 1.113 -1.316) 2.357 2.428 ( 2.592 1.082 -0.040) 2.809 2.436 ( 1.017 -1.314 0.757) 1.826 2.825 ( 12.606 12.410 -1.320) 17.739 3.094 ( -7.038 3.741 3.490) 8.701 3.365 ( -1.900 -0.694 6.334) 6.649 3.420 ( 5.595 -3.773 -0.453) 6.763 4.410 ( 6.555 6.407 3.062) 9.664 4.651 ( -0.802 3.456 0.118) 3.550 4.672 ( 0.636 1.281 0.125) 1.436 4.979 ( 0.686 3.265 -7.740) 8.428 5.217 ( 3.453 2.712 0.989) 4.500 5.317 ( -0.581 0.228 -0.623) 0.882 5.428 ( 2.771 0.605 -4.426) 5.256 5.493 ( -2.179 -3.796 -4.530) 6.299 6.624 ( -7.999 -4.657 15.553) 18.099 7.433 ( 1.811 -4.012 -13.417) 14.121 8.472 ( -7.342 -3.494 9.354) 12.394 8.981 ( 3.740 -2.110 -10.456) 11.303 10.219 ( 4.422 1.775 2.125) 5.217 10.319 ( -5.326 0.923 7.483) 9.231 10.562 ( 3.230 2.378 -3.811) 5.533 10.682 ( -0.752 -0.440 -2.473) 2.622 13.189 ( 0.083 0.218 0.714) 0.751 13.280 ( -0.374 0.195 3.991) 4.013 13.326 ( 0.346 0.055 -3.356) 3.374 13.617 ( 0.430 0.417 -4.574) 4.613 13.978 ( 1.066 0.315 -0.272) 1.145 14.005 ( -0.570 0.054 -0.393) 0.694 ======================= Grid point 161 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -1.164 0.965 1.252) 1.963 1.036 ( 2.559 -0.100 -2.178) 3.362 1.369 ( -1.997 1.197 7.582) 7.932 1.755 ( -0.030 1.833 -2.144) 2.821 1.805 ( 0.333 0.933 -5.168) 5.262 1.928 ( -1.729 -1.770 -3.608) 4.375 2.013 ( -1.339 3.546 2.511) 4.546 2.121 ( 2.808 0.128 -0.169) 2.816 2.411 ( -0.332 3.489 1.217) 3.710 2.469 ( -1.138 -2.753 0.927) 3.120 2.774 ( 2.888 11.945 1.801) 12.420 2.955 ( 2.099 10.276 -2.632) 10.813 3.351 ( -3.988 -0.934 5.609) 6.945 3.522 ( 2.778 -0.530 0.437) 2.862 4.205 ( -6.821 20.289 8.719) 23.113 4.572 ( 0.374 5.707 -0.178) 5.722 4.641 ( -0.511 3.539 0.832) 3.671 4.989 ( 4.339 0.183 -9.232) 10.202 5.202 ( 1.362 3.804 1.657) 4.367 5.288 ( -4.551 -1.090 0.965) 4.779 5.414 ( -0.126 1.866 -4.515) 4.887 5.551 ( 4.719 -2.866 -7.848) 9.595 6.690 ( -3.694 -10.854 13.511) 17.720 7.520 ( 4.124 -6.667 -12.321) 14.604 8.476 ( -4.338 -6.180 8.321) 11.236 9.078 ( 6.727 -4.482 -10.277) 13.075 10.197 ( -7.549 3.574 5.062) 9.767 10.262 ( 2.336 2.121 4.136) 5.202 10.568 ( 3.251 2.760 -2.386) 4.887 10.656 ( -1.007 1.013 -2.791) 3.135 13.185 ( -0.430 0.399 1.027) 1.183 13.280 ( -0.538 0.504 3.562) 3.638 13.325 ( 0.594 -0.268 -2.680) 2.758 13.598 ( 0.090 0.812 -4.855) 4.924 13.981 ( 0.362 0.800 -0.040) 0.879 13.995 ( -0.447 -0.112 -0.693) 0.832 ======================= Grid point 162 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 6.504 -0.361 0.339) 6.523 1.126 ( 8.020 -0.498 -1.812) 8.237 1.344 ( -0.880 3.221 7.490) 8.201 1.675 ( -3.469 4.685 -3.586) 6.844 1.793 ( 0.093 -0.784 -0.588) 0.984 1.908 ( -2.409 -1.825 -2.588) 3.979 1.981 ( 0.850 1.620 2.361) 2.987 2.144 ( 0.873 1.832 -3.565) 4.102 2.365 ( -0.725 1.429 4.575) 4.847 2.476 ( -2.664 -2.008 0.390) 3.358 2.631 ( -1.152 8.692 -2.323) 9.071 2.818 ( 1.082 14.438 -0.722) 14.496 3.293 ( -4.770 1.025 3.857) 6.219 3.492 ( -0.530 7.611 1.984) 7.883 3.912 ( 0.282 13.539 11.918) 18.040 4.500 ( 1.951 7.017 -0.988) 7.350 4.575 ( 0.001 5.202 0.882) 5.276 4.984 ( 0.571 1.372 -8.465) 8.594 5.150 ( 0.693 5.790 1.085) 5.931 5.267 ( -3.127 -3.037 0.795) 4.431 5.365 ( -0.442 1.336 -5.013) 5.207 5.631 ( 4.908 -0.551 -7.272) 8.790 6.849 ( -3.266 -12.384 11.682) 17.335 7.649 ( 4.187 -6.876 -11.786) 14.273 8.550 ( -1.395 -7.207 6.700) 9.939 9.242 ( 8.060 -5.774 -9.714) 13.880 10.014 ( -9.015 4.983 4.728) 11.333 10.273 ( 0.810 1.810 3.558) 4.074 10.559 ( 0.892 3.447 0.122) 3.563 10.621 ( 1.556 2.185 -3.483) 4.396 13.172 ( -0.799 0.417 1.445) 1.703 13.274 ( -0.559 0.395 2.482) 2.575 13.335 ( 0.699 -0.456 -1.562) 1.771 13.570 ( 0.090 1.107 -4.744) 4.873 13.970 ( -0.095 1.068 0.240) 1.099 13.991 ( -0.161 -0.398 -0.992) 1.081 ======================= Grid point 163 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 9.599 -1.568 -1.424) 9.830 1.232 ( 1.090 2.703 5.192) 5.954 1.278 ( 1.011 4.539 2.117) 5.109 1.546 ( -2.444 3.337 6.869) 8.018 1.824 ( 1.052 -2.079 -0.702) 2.434 1.900 ( -1.674 -2.332 -1.844) 3.412 1.990 ( 0.931 0.460 1.179) 1.571 2.063 ( -2.471 5.302 -2.882) 6.521 2.341 ( -5.744 2.723 4.714) 7.914 2.423 ( -1.152 1.016 -0.097) 1.539 2.573 ( 3.686 3.319 -5.323) 7.275 2.603 ( -3.186 5.476 -0.577) 6.361 3.240 ( 1.639 3.549 3.131) 5.009 3.385 ( 1.561 8.928 3.970) 9.895 3.865 ( 4.597 6.787 9.254) 12.362 4.443 ( 3.948 6.366 -2.511) 7.901 4.518 ( 1.645 4.336 0.922) 4.728 4.950 ( 0.090 0.419 -7.113) 7.126 5.101 ( 2.506 4.852 0.183) 5.464 5.229 ( -3.089 0.301 -3.788) 4.897 5.357 ( -0.439 -1.618 -1.067) 1.988 5.675 ( 3.799 0.831 -6.033) 7.177 6.970 ( -5.827 -9.707 11.385) 16.056 7.750 ( 2.163 -4.935 -11.779) 12.953 8.666 ( 0.681 -6.963 5.663) 9.001 9.378 ( 3.609 -1.830 -9.820) 10.621 9.851 ( -5.314 1.802 5.469) 7.835 10.258 ( -0.550 1.363 1.118) 1.846 10.511 ( -0.234 3.754 3.035) 4.833 10.624 ( 3.621 2.182 -3.595) 5.550 13.160 ( -0.727 0.163 1.722) 1.877 13.269 ( -0.534 0.027 1.894) 1.968 13.345 ( 0.444 -0.259 -1.373) 1.466 13.547 ( 0.699 0.914 -4.049) 4.209 13.953 ( -0.163 1.052 0.328) 1.114 13.995 ( 0.136 -0.636 -1.100) 1.278 ======================= Grid point 168 (84/129) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -2.417 -0.000 2.017) 3.148 1.037 ( 3.168 -0.000 -1.734) 3.611 1.376 ( -2.988 -0.000 7.427) 8.006 1.779 ( 1.466 -0.000 -1.312) 1.967 1.813 ( -1.514 -0.000 -4.625) 4.867 1.906 ( -0.782 -0.000 -5.902) 5.954 2.100 ( -0.435 -0.000 3.763) 3.788 2.103 ( 0.599 0.000 0.258) 0.653 2.419 ( -0.944 -0.000 1.403) 1.691 2.463 ( -0.635 -0.000 -0.383) 0.742 2.976 ( -9.466 -0.000 3.718) 10.170 3.098 ( 9.056 -0.000 -1.784) 9.231 3.345 ( -2.312 -0.000 4.780) 5.310 3.484 ( 5.506 -0.000 0.404) 5.521 4.556 ( 1.763 -0.000 0.385) 1.805 4.668 ( -0.500 -0.000 -0.594) 0.777 4.707 ( 0.944 -0.000 0.802) 1.239 4.938 ( -4.220 -0.000 -6.846) 8.042 5.208 ( -5.533 -0.000 1.883) 5.844 5.302 ( 1.115 -0.000 0.897) 1.431 5.453 ( -1.345 -0.000 -3.067) 3.349 5.508 ( 9.146 -0.000 -7.338) 11.726 6.517 ( -6.082 -0.000 15.484) 16.635 7.422 ( 5.449 -0.000 -12.890) 13.995 8.384 ( -3.886 -0.000 8.891) 9.703 9.013 ( 6.432 -0.000 -10.575) 12.378 10.254 ( -6.937 -0.000 6.727) 9.663 10.285 ( 1.211 -0.000 3.617) 3.814 10.612 ( 2.418 -0.000 -3.027) 3.874 10.666 ( 0.473 -0.000 -3.239) 3.273 13.191 ( -0.360 -0.000 0.678) 0.767 13.290 ( -0.231 -0.000 4.282) 4.288 13.319 ( 0.073 -0.000 -3.380) 3.381 13.608 ( -0.001 -0.000 -4.832) 4.832 13.994 ( -0.684 -0.002 -0.467) 0.829 13.994 ( 0.589 0.002 -0.225) 0.630 ======================= Grid point 170 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 4.194 0.090 1.315) 4.397 1.127 ( 8.152 0.320 -1.291) 8.260 1.374 ( -0.233 0.054 6.664) 6.668 1.747 ( -3.030 0.703 -3.808) 4.916 1.792 ( -0.822 -0.311 -1.999) 2.184 1.871 ( -1.869 -0.259 -4.035) 4.455 2.064 ( -0.083 3.586 2.701) 4.491 2.151 ( 2.344 -1.096 -0.587) 2.654 2.400 ( -3.709 -0.845 1.332) 4.031 2.420 ( -3.165 0.263 0.375) 3.198 2.820 ( -6.454 3.679 0.565) 7.451 3.145 ( 2.251 6.252 -0.137) 6.646 3.305 ( -3.175 1.675 4.575) 5.816 3.567 ( 3.224 -0.309 0.974) 3.382 4.364 ( -10.380 13.745 5.244) 18.005 4.640 ( -0.114 2.455 -0.567) 2.522 4.693 ( 1.815 2.945 0.132) 3.462 4.909 ( -5.065 -5.926 -7.278) 10.665 5.202 ( 1.703 -0.959 -0.689) 2.072 5.274 ( -1.948 2.349 1.202) 3.279 5.393 ( -3.517 0.828 -3.651) 5.136 5.638 ( 9.220 0.387 -6.620) 11.357 6.550 ( -2.031 -6.925 14.139) 15.874 7.511 ( 7.635 -2.675 -11.872) 14.366 8.403 ( 0.278 -2.849 7.641) 8.159 9.119 ( 8.699 -2.483 -10.175) 13.615 10.132 ( -8.465 2.768 5.283) 10.355 10.289 ( -2.234 -0.287 4.509) 5.040 10.626 ( 1.274 1.266 -1.516) 2.351 10.670 ( 2.060 1.040 -3.520) 4.209 13.182 ( -0.814 0.220 0.977) 1.291 13.292 ( -0.380 0.787 2.466) 2.616 13.317 ( 0.129 -0.766 -1.354) 1.561 13.589 ( -0.194 0.313 -4.945) 4.958 13.983 ( -0.522 -0.167 -0.719) 0.904 13.994 ( 0.014 0.536 0.097) 0.545 ======================= Grid point 171 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 9.371 -1.269 0.875) 9.496 1.229 ( 4.130 0.673 0.971) 4.296 1.399 ( 2.602 1.720 3.216) 4.480 1.657 ( -4.759 2.425 -2.155) 5.760 1.775 ( -0.992 -1.131 -0.901) 1.753 1.837 ( -2.346 -1.330 -1.725) 3.201 2.031 ( 0.782 2.568 1.454) 3.053 2.166 ( -0.046 2.202 -3.169) 3.859 2.347 ( -2.868 -0.924 2.810) 4.120 2.388 ( -4.059 -2.679 0.109) 4.865 2.691 ( -1.727 4.828 -3.750) 6.352 2.958 ( -8.623 13.948 3.442) 16.756 3.234 ( -5.446 0.693 6.559) 8.553 3.580 ( 1.382 2.961 -0.071) 3.268 4.106 ( -3.472 7.175 7.192) 10.736 4.594 ( -0.102 3.231 -0.498) 3.271 4.663 ( 1.654 5.768 -0.834) 6.058 4.871 ( -5.564 -4.665 -6.743) 9.909 5.190 ( -1.727 1.535 1.093) 2.556 5.236 ( -0.776 1.777 -2.012) 2.794 5.332 ( -1.934 -1.339 -3.425) 4.155 5.731 ( 7.412 2.446 -5.746) 9.692 6.692 ( -0.750 -8.958 12.541) 15.430 7.640 ( 7.682 -2.790 -11.349) 13.985 8.506 ( 3.532 -4.046 6.075) 8.108 9.280 ( 9.145 -3.824 -9.752) 13.905 9.956 ( -8.758 4.404 4.923) 10.969 10.260 ( -3.914 -1.003 3.638) 5.437 10.602 ( -0.669 2.474 0.562) 2.624 10.681 ( 3.089 1.670 -3.494) 4.954 13.167 ( -0.966 0.285 1.381) 1.709 13.279 ( -0.427 0.638 0.991) 1.254 13.330 ( 0.116 -0.799 0.124) 0.817 13.566 ( -0.120 0.434 -4.715) 4.736 13.979 ( -0.164 -0.420 -0.975) 1.074 13.982 ( -0.257 0.858 0.422) 0.991 ======================= Grid point 172 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 1.388 1.423 2.866) 3.488 1.282 ( -0.920 2.872 3.739) 4.804 1.333 ( -0.039 1.861 1.229) 2.231 1.606 ( 2.170 1.410 3.464) 4.324 1.791 ( -1.146 -3.579 0.461) 3.787 1.833 ( -0.544 -2.196 -2.020) 3.033 2.020 ( 0.630 1.364 -0.625) 1.627 2.078 ( -3.307 4.517 -0.613) 5.631 2.297 ( -6.821 3.146 4.367) 8.689 2.368 ( -2.623 -2.491 -1.411) 3.883 2.623 ( -0.195 2.953 -4.080) 5.040 2.652 ( -2.879 6.784 -0.876) 7.422 3.175 ( -6.484 -2.848 9.448) 11.807 3.559 ( 2.830 4.443 -0.810) 5.330 4.059 ( 1.943 3.071 5.129) 6.286 4.558 ( 1.592 2.896 -1.298) 3.550 4.585 ( -0.724 4.785 -0.564) 4.872 4.836 ( -4.484 -4.623 -6.427) 9.099 5.163 ( -1.814 0.939 -2.593) 3.301 5.180 ( 0.039 0.358 -0.539) 0.648 5.331 ( -0.723 -1.364 -1.495) 2.149 5.765 ( 4.924 4.069 -4.828) 8.007 6.819 ( -2.064 -6.456 12.034) 13.811 7.739 ( 5.881 -0.569 -11.454) 12.888 8.648 ( 4.590 -3.857 5.480) 8.123 9.393 ( 3.447 0.578 -10.326) 10.901 9.814 ( -4.073 0.968 6.093) 7.393 10.228 ( -2.821 -1.670 1.159) 3.477 10.547 ( -2.222 2.561 2.700) 4.334 10.696 ( 2.871 1.575 -3.253) 4.616 13.156 ( -0.681 0.080 1.645) 1.782 13.269 ( -0.330 0.331 1.049) 1.149 13.339 ( -0.171 -0.539 -0.318) 0.649 13.550 ( 0.442 0.045 -4.041) 4.066 13.967 ( -0.208 0.980 0.556) 1.145 13.985 ( 0.195 -0.705 -1.122) 1.339 ======================= Grid point 178 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 7.838 0.000 1.565) 7.992 1.248 ( 5.465 0.000 1.041) 5.564 1.422 ( 4.525 0.000 2.902) 5.376 1.664 ( -5.676 -0.000 -3.895) 6.884 1.757 ( -3.092 -0.000 -0.461) 3.126 1.831 ( -1.569 -0.000 -3.356) 3.705 2.094 ( -0.919 -0.000 2.949) 3.089 2.189 ( 3.977 0.000 -1.832) 4.379 2.329 ( -4.847 -0.000 1.153) 4.982 2.344 ( -5.935 -0.000 0.118) 5.936 2.749 ( -4.372 -0.000 -1.494) 4.620 3.174 ( -3.157 -0.000 0.977) 3.304 3.293 ( -4.358 -0.000 4.841) 6.514 3.610 ( 1.348 0.000 0.267) 1.374 4.182 ( -23.983 -0.000 10.044) 26.001 4.634 ( -1.878 -0.000 -0.611) 1.975 4.770 ( 4.199 0.000 -1.078) 4.335 4.786 ( -1.596 -0.000 -8.277) 8.430 5.232 ( -4.899 -0.000 1.616) 5.158 5.254 ( 4.163 0.000 -3.278) 5.299 5.308 ( -6.074 -0.000 -3.173) 6.853 5.766 ( 8.617 0.000 -6.213) 10.624 6.552 ( 2.827 0.000 13.818) 14.104 7.600 ( 9.810 0.000 -11.037) 14.766 8.449 ( 4.945 0.000 6.462) 8.138 9.220 ( 10.148 0.000 -9.897) 14.176 10.032 ( -8.764 -0.000 4.515) 9.859 10.234 ( -5.416 -0.000 4.543) 7.069 10.638 ( -0.477 -0.000 -0.508) 0.697 10.706 ( 2.475 0.000 -3.127) 3.988 13.172 ( -1.036 -0.000 1.260) 1.632 13.296 ( -0.147 -0.000 -3.305) 3.309 13.310 ( -0.333 -0.000 4.580) 4.592 13.572 ( -0.366 -0.000 -4.874) 4.888 13.972 ( -0.284 -0.000 -0.958) 0.999 13.996 ( -0.356 -0.000 0.436) 0.562 ======================= Grid point 179 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 8.270 -1.424 1.773) 8.577 1.277 ( -1.137 1.199 5.007) 5.273 1.476 ( -0.854 4.110 -2.211) 4.745 1.585 ( -1.386 -2.959 -1.354) 3.537 1.712 ( -3.268 -1.517 0.305) 3.616 1.805 ( -0.228 -0.008 -2.681) 2.690 2.069 ( -0.977 1.719 1.168) 2.297 2.182 ( -2.654 3.024 -0.926) 4.129 2.278 ( -5.124 -2.397 0.861) 5.722 2.303 ( 1.065 -2.016 -0.690) 2.382 2.698 ( -0.288 0.734 -4.142) 4.216 2.999 ( -10.945 13.810 2.900) 17.858 3.173 ( -8.355 2.420 6.626) 10.935 3.588 ( -4.150 -2.353 -2.299) 5.296 3.925 ( -17.308 -8.372 14.725) 24.217 4.591 ( -2.767 0.228 -0.200) 2.784 4.741 ( 0.450 1.444 -8.849) 8.977 4.793 ( 0.785 3.228 -2.830) 4.364 5.160 ( -3.969 -0.522 -0.111) 4.004 5.199 ( -5.540 -0.088 -1.749) 5.810 5.293 ( 1.384 -0.201 -3.083) 3.385 5.859 ( 6.654 1.701 -5.943) 9.082 6.686 ( 5.172 -2.545 12.778) 14.018 7.729 ( 10.026 -0.227 -10.664) 14.639 8.579 ( 7.605 -1.089 5.256) 9.308 9.364 ( 9.945 -1.337 -9.958) 14.138 9.889 ( -8.043 2.774 4.678) 9.709 10.167 ( -5.995 -2.032 3.793) 7.379 10.605 ( -2.648 1.269 0.727) 3.025 10.724 ( 1.468 0.468 -2.816) 3.210 13.160 ( -0.933 0.121 1.636) 1.887 13.282 ( -0.079 0.414 -1.823) 1.872 13.321 ( -0.464 -0.547 3.089) 3.171 13.551 ( -0.385 -0.008 -4.545) 4.562 13.970 ( 0.151 -0.296 -1.259) 1.302 13.987 ( -0.504 0.425 0.720) 0.976 ======================= Grid point 180 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -3.010 1.420 7.253) 7.980 1.278 ( -10.169 6.462 4.911) 13.011 1.355 ( 3.579 -2.678 -0.567) 4.506 1.621 ( -1.621 -1.282 -1.206) 2.393 1.708 ( -1.783 -2.520 1.582) 3.468 1.825 ( 2.503 -1.703 -1.809) 3.527 2.030 ( -1.198 1.406 -2.041) 2.753 2.098 ( -1.865 3.939 1.943) 4.772 2.233 ( -5.039 -0.444 2.416) 5.606 2.308 ( -3.113 1.678 0.235) 3.544 2.627 ( -7.029 6.624 0.835) 9.694 2.692 ( 2.033 1.682 -5.613) 6.202 3.059 ( -7.296 -1.837 6.799) 10.141 3.577 ( -3.477 -4.665 -1.376) 5.978 3.884 ( -13.473 -11.740 12.949) 22.069 4.557 ( -2.134 -1.371 0.582) 2.602 4.659 ( -0.732 8.153 -7.153) 10.871 4.739 ( -1.585 -1.674 -5.669) 6.120 5.084 ( -5.508 -1.172 -2.057) 5.995 5.187 ( 0.909 -2.416 -1.926) 3.221 5.298 ( -0.204 -0.457 -1.095) 1.204 5.883 ( 3.831 4.131 -5.713) 8.023 6.828 ( 4.690 -0.598 12.032) 12.928 7.834 ( 8.425 2.040 -10.850) 13.888 8.729 ( 7.078 -0.622 5.214) 8.813 9.442 ( 3.276 3.571 -11.143) 12.151 9.788 ( -2.163 -0.264 6.540) 6.894 10.140 ( -3.432 -4.241 1.517) 5.662 10.529 ( -4.669 1.695 2.120) 5.400 10.725 ( 0.258 0.145 -2.671) 2.687 13.152 ( -0.521 0.001 1.864) 1.936 13.273 ( 0.162 0.325 -0.519) 0.633 13.326 ( -0.737 -0.411 1.455) 1.682 13.537 ( -0.002 -0.608 -3.934) 3.981 13.975 ( -0.438 0.591 0.725) 1.033 13.977 ( 0.508 -0.537 -1.416) 1.598 ======================= Grid point 187 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -7.045 -0.000 8.946) 11.387 1.308 ( 5.079 0.000 1.659) 5.343 1.388 ( -11.352 -0.000 2.310) 11.585 1.574 ( 0.984 0.000 -6.358) 6.433 1.693 ( 1.849 0.000 1.277) 2.247 1.799 ( 0.934 0.000 -4.007) 4.115 2.049 ( -2.554 -0.000 0.624) 2.629 2.142 ( -4.051 -0.000 -0.334) 4.065 2.208 ( -1.556 -0.000 2.474) 2.922 2.331 ( 3.295 0.000 -2.565) 4.175 2.700 ( 2.334 0.000 -5.036) 5.551 2.997 ( -7.832 -0.000 -0.427) 7.844 3.075 ( -10.547 -0.000 7.765) 13.097 3.195 ( -29.846 -0.000 5.203) 30.296 3.766 ( -4.102 -0.000 14.635) 15.199 4.529 ( -4.497 -0.000 -0.080) 4.498 4.705 ( -1.855 -0.000 -6.685) 6.937 4.827 ( -1.043 -0.000 -8.851) 8.913 5.081 ( -6.429 -0.000 -1.327) 6.564 5.091 ( -3.032 -0.000 -0.702) 3.112 5.309 ( 0.770 0.000 -1.825) 1.981 5.941 ( 4.468 0.000 -6.603) 7.973 6.826 ( 8.483 0.000 12.221) 14.876 7.861 ( 10.419 0.000 -10.485) 14.782 8.724 ( 9.039 0.000 4.557) 10.122 9.483 ( 9.441 0.000 -11.056) 14.539 9.810 ( -5.923 -0.000 5.196) 7.879 10.061 ( -6.354 -0.000 3.936) 7.474 10.558 ( -4.798 -0.000 1.230) 4.953 10.723 ( -0.786 -0.000 -2.533) 2.652 13.153 ( -0.693 -0.000 1.973) 2.091 13.279 ( 0.407 0.000 -2.978) 3.006 13.320 ( -0.805 -0.000 4.309) 4.384 13.528 ( -0.633 -0.000 -4.223) 4.270 13.969 ( 0.598 0.000 -1.594) 1.703 13.983 ( -0.656 -0.000 0.847) 1.071 ======================= Grid point 188 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -9.853 -1.107 9.802) 13.942 1.189 ( -11.117 1.316 9.820) 14.892 1.354 ( -1.728 -0.067 1.056) 2.027 1.550 ( -3.082 -0.496 -4.391) 5.388 1.706 ( 0.417 1.592 1.429) 2.179 1.829 ( 2.597 -1.827 -3.256) 4.548 2.023 ( -0.407 0.378 -1.034) 1.174 2.106 ( -0.953 -0.862 -1.031) 1.647 2.200 ( -0.122 1.921 3.520) 4.012 2.310 ( -4.885 6.516 2.331) 8.471 2.583 ( -12.848 6.701 3.983) 15.028 2.738 ( 3.883 1.336 -7.062) 8.169 2.934 ( -6.421 -2.845 2.619) 7.495 3.140 ( -17.861 -22.582 5.728) 29.356 3.754 ( -3.014 0.896 13.361) 13.726 4.471 ( -4.873 -2.646 0.469) 5.565 4.647 ( -6.180 0.763 -3.293) 7.044 4.696 ( -3.403 2.581 -12.665) 13.366 4.979 ( -5.051 -0.202 -0.838) 5.124 5.114 ( -0.396 -5.700 -4.073) 7.017 5.311 ( 0.821 0.690 0.384) 1.139 5.951 ( 1.490 2.283 -7.215) 7.713 6.988 ( 8.281 1.759 11.539) 14.311 7.971 ( 8.883 2.136 -10.841) 14.178 8.864 ( 6.927 1.050 4.902) 8.551 9.519 ( 2.467 5.203 -12.101) 13.402 9.788 ( 1.235 -1.132 6.567) 6.777 10.022 ( -3.444 -4.994 2.074) 6.411 10.467 ( -6.272 0.960 2.110) 6.687 10.693 ( -2.510 -0.738 -2.454) 3.587 13.151 ( -0.349 -0.051 2.148) 2.177 13.280 ( 0.858 0.047 -2.151) 2.317 13.318 ( -0.937 0.156 3.305) 3.439 13.511 ( -0.490 -0.809 -3.717) 3.836 13.973 ( -0.680 0.207 0.700) 0.998 13.978 ( 0.884 -0.239 -1.787) 2.008 ======================= Grid point 196 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -11.903 -0.000 16.140) 20.054 1.047 ( -10.199 -0.000 11.743) 15.554 1.285 ( -8.136 -0.000 2.449) 8.497 1.490 ( -3.730 -0.000 -1.119) 3.894 1.721 ( -1.097 -0.000 3.001) 3.195 1.872 ( 6.148 0.000 -4.293) 7.499 2.017 ( -2.404 -0.000 0.551) 2.466 2.078 ( -0.005 -0.000 -2.268) 2.268 2.218 ( -8.908 -0.000 3.070) 9.422 2.331 ( -3.040 -0.000 -0.904) 3.172 2.371 ( -8.580 -0.000 14.256) 16.638 2.717 ( -8.613 -0.000 -0.818) 8.652 2.834 ( 7.805 0.000 -8.485) 11.528 2.863 ( -4.090 -0.000 4.965) 6.433 3.776 ( -1.058 -0.000 13.982) 14.022 4.359 ( -6.085 -0.000 -0.056) 6.085 4.526 ( -12.900 -0.000 -12.877) 18.227 4.562 ( -4.730 -0.000 -2.441) 5.323 4.907 ( -4.267 -0.000 -0.645) 4.316 5.063 ( 1.984 0.000 -5.214) 5.579 5.334 ( 1.280 0.000 1.581) 2.034 5.946 ( -1.113 -0.000 -8.544) 8.616 7.163 ( 7.189 0.000 11.267) 13.365 8.086 ( 7.362 0.000 -11.486) 13.643 8.979 ( 4.048 0.000 4.778) 6.262 9.548 ( 0.388 0.000 -11.538) 11.544 9.849 ( 4.741 0.000 4.685) 6.665 9.943 ( -1.596 -0.000 1.974) 2.539 10.377 ( -6.529 -0.000 2.861) 7.129 10.624 ( -4.064 -0.000 -2.325) 4.682 13.153 ( -0.230 -0.000 2.267) 2.279 13.290 ( 1.289 0.000 -2.441) 2.761 13.319 ( -0.527 -0.000 3.528) 3.567 13.484 ( -0.584 -0.000 -3.325) 3.376 13.965 ( -0.803 -0.000 0.473) 0.932 13.986 ( 1.068 0.000 -2.033) 2.296 ======================= Grid point 197 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -3.872 -0.000 8.986) 9.785 1.104 ( -0.440 -0.000 0.524) 0.685 1.271 ( -3.652 -0.000 14.482) 14.936 1.516 ( 7.189 0.000 -9.184) 11.663 1.859 ( -13.278 -0.000 10.265) 16.783 1.943 ( 5.040 0.000 9.355) 10.626 2.020 ( -1.056 -0.000 -3.159) 3.331 2.032 ( 8.269 0.000 -3.451) 8.960 2.055 ( -0.347 -0.000 -1.484) 1.525 2.102 ( -0.957 -0.000 -6.131) 6.205 2.594 ( -2.417 -0.000 4.458) 5.071 2.614 ( -1.173 -0.000 3.010) 3.230 2.808 ( -3.080 -0.000 -1.420) 3.392 2.850 ( 7.703 0.000 -6.888) 10.333 4.046 ( -1.296 -0.000 9.165) 9.256 4.160 ( -2.304 -0.000 -3.180) 3.927 4.274 ( 4.167 0.000 3.970) 5.755 4.386 ( -0.266 -0.000 -5.644) 5.650 4.853 ( -0.427 -0.000 2.308) 2.347 4.947 ( 1.837 0.000 -7.500) 7.722 5.495 ( 4.433 0.000 4.695) 6.457 5.611 ( -5.063 -0.000 -7.595) 9.127 7.597 ( -0.434 -0.000 13.723) 13.730 7.871 ( 0.235 0.000 -14.206) 14.208 9.140 ( -1.627 -0.000 7.124) 7.307 9.295 ( 0.249 0.000 -8.782) 8.785 9.978 ( 0.284 0.000 1.288) 1.319 9.995 ( 0.771 0.000 -0.403) 0.870 10.378 ( 0.778 0.000 4.824) 4.887 10.460 ( -1.046 -0.000 -3.567) 3.717 13.209 ( -0.575 -0.000 2.875) 2.932 13.266 ( 0.953 0.000 -2.883) 3.036 13.362 ( -1.336 -0.000 2.348) 2.701 13.412 ( 1.285 0.000 -2.793) 3.075 13.947 ( -0.998 -0.000 0.720) 1.231 13.969 ( 1.059 0.000 -1.607) 1.924 ======================= Grid point 198 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 5.216 1.775 5.642) 7.886 1.126 ( 1.340 -1.929 7.058) 7.439 1.302 ( 4.048 1.348 5.697) 7.117 1.576 ( 3.308 0.741 -8.875) 9.500 1.753 ( -6.303 -4.771 7.350) 10.794 1.942 ( -3.782 -0.097 -1.442) 4.048 2.015 ( -1.373 0.257 3.857) 4.102 2.027 ( 0.801 3.099 -1.308) 3.458 2.153 ( 7.203 -4.554 0.537) 8.539 2.203 ( 9.528 1.461 -6.031) 11.371 2.540 ( -3.465 1.958 4.884) 6.300 2.632 ( 1.035 -1.306 0.057) 1.667 2.763 ( -2.826 -2.945 1.927) 4.513 3.043 ( 8.040 -10.935 -6.003) 14.841 4.049 ( 0.050 2.249 12.167) 12.373 4.154 ( 2.649 0.067 -4.204) 4.969 4.352 ( 3.442 -0.702 0.421) 3.538 4.489 ( 6.951 -8.161 -6.464) 12.518 4.890 ( 1.609 -3.024 2.104) 4.020 4.973 ( 1.752 -2.603 -7.171) 7.828 5.501 ( -4.361 1.463 -5.773) 7.381 5.579 ( 4.330 0.515 4.417) 6.207 7.571 ( -4.858 3.976 13.296) 14.703 7.780 ( -2.709 2.951 -13.460) 14.043 9.100 ( -2.748 4.199 8.248) 9.655 9.255 ( -1.364 0.375 -7.563) 7.695 9.961 ( -1.295 1.297 1.045) 2.110 10.049 ( 2.584 -4.074 -1.724) 5.123 10.430 ( 1.951 -1.108 3.415) 4.086 10.466 ( 2.212 -1.398 -2.186) 3.410 13.208 ( -0.731 0.031 2.593) 2.694 13.269 ( 0.695 0.082 -3.088) 3.166 13.350 ( -1.097 -0.222 2.641) 2.868 13.431 ( 1.797 -0.324 -2.947) 3.467 13.936 ( -0.752 -0.272 0.724) 1.079 13.981 ( 1.004 0.060 -1.354) 1.687 ======================= Grid point 199 (96/129) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 6.201 3.186 0.575) 6.995 1.234 ( 4.415 -2.834 4.987) 7.239 1.373 ( 4.956 1.295 4.899) 7.088 1.583 ( 2.244 0.059 -2.934) 3.694 1.803 ( -0.744 -6.313 -1.029) 6.440 1.905 ( -1.548 -1.633 -1.442) 2.672 1.979 ( -0.888 2.626 -1.872) 3.345 1.988 ( -1.447 1.649 4.415) 4.930 2.257 ( 3.141 1.869 -4.508) 5.803 2.323 ( 4.031 -5.100 -0.125) 6.502 2.468 ( -4.919 0.775 2.608) 5.621 2.642 ( 5.844 5.855 -4.634) 9.482 2.904 ( 4.381 -13.523 4.715) 14.977 3.320 ( 6.675 -10.387 0.056) 12.347 4.062 ( -0.145 1.586 14.684) 14.770 4.207 ( 6.040 -1.224 -7.913) 10.030 4.444 ( 4.350 -2.786 1.213) 5.306 4.685 ( 6.062 -6.510 -8.191) 12.092 4.990 ( 2.939 -4.507 2.153) 5.795 5.025 ( 1.439 -3.877 -5.672) 7.019 5.400 ( -3.387 1.810 -4.065) 5.592 5.644 ( 3.712 1.301 3.743) 5.430 7.421 ( -7.666 7.095 9.357) 14.024 7.651 ( -3.372 3.275 -9.515) 10.613 9.000 ( -2.629 6.640 8.258) 10.917 9.204 ( -2.504 -0.843 -7.053) 7.532 9.929 ( -0.780 1.192 1.223) 1.878 10.148 ( 1.964 -4.748 -2.133) 5.564 10.485 ( 3.563 -1.087 -0.767) 3.803 10.536 ( 2.361 -1.898 2.017) 3.639 13.201 ( -0.844 0.128 2.177) 2.339 13.266 ( 0.373 0.266 -2.786) 2.823 13.351 ( -0.715 -0.719 2.912) 3.084 13.457 ( 2.070 -0.198 -3.390) 3.977 13.936 ( -0.399 -0.706 0.721) 1.085 13.989 ( 0.749 0.359 -1.036) 1.328 ======================= Grid point 200 (97/129) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.721 2.494 -0.321) 3.047 1.335 ( 3.296 -0.812 1.336) 3.648 1.449 ( 3.119 0.042 6.193) 6.935 1.624 ( 2.516 -0.699 -0.814) 2.735 1.848 ( -0.948 -1.265 -2.309) 2.798 1.903 ( 0.175 2.105 1.814) 2.784 1.945 ( -0.484 -1.972 -3.918) 4.413 1.971 ( -0.378 -0.526 3.604) 3.661 2.250 ( -0.504 -0.093 -1.350) 1.444 2.374 ( -3.789 1.018 -1.524) 4.209 2.437 ( -1.464 -6.904 2.226) 7.400 2.638 ( 6.954 7.512 -5.007) 11.396 3.222 ( 9.774 -12.272 -2.190) 15.841 3.462 ( -1.210 -1.305 6.597) 6.833 4.101 ( 0.747 -0.705 12.585) 12.627 4.343 ( 8.263 -4.701 -8.014) 12.433 4.548 ( 3.425 -1.858 1.880) 4.327 4.769 ( 0.194 -0.917 -8.393) 8.445 5.071 ( 0.685 -2.323 -2.323) 3.356 5.107 ( 2.898 -3.611 0.099) 4.632 5.334 ( -1.620 0.185 -1.409) 2.155 5.678 ( 2.059 1.363 1.591) 2.938 7.233 ( -6.732 6.204 8.706) 12.633 7.539 ( -1.883 1.838 -8.897) 9.278 8.912 ( -0.502 5.165 7.390) 9.030 9.160 ( -2.912 -2.175 -6.883) 7.784 9.911 ( -0.016 1.134 1.353) 1.766 10.211 ( 0.544 -2.204 -1.505) 2.724 10.566 ( 2.882 -1.663 0.902) 3.447 10.587 ( 1.564 -0.896 0.108) 1.805 13.193 ( -0.657 0.105 1.882) 1.996 13.258 ( 0.206 0.406 -2.387) 2.430 13.362 ( -0.690 -0.849 3.021) 3.213 13.477 ( 1.841 0.217 -3.596) 4.046 13.947 ( -0.092 -1.041 0.665) 1.238 13.988 ( 0.417 0.741 -0.833) 1.190 ======================= Grid point 201 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.064 -1.002 0.344) 1.501 1.366 ( 0.374 0.592 -0.181) 0.723 1.482 ( -0.774 0.927 7.246) 7.346 1.650 ( -1.924 -0.905 1.166) 2.425 1.817 ( -0.953 1.106 -0.082) 1.462 1.886 ( 1.225 2.054 1.252) 2.699 1.948 ( -0.277 0.599 -1.157) 1.332 2.004 ( -0.137 -2.999 -0.564) 3.055 2.248 ( -0.964 -1.056 1.162) 1.843 2.300 ( -3.543 0.141 0.661) 3.606 2.516 ( -1.170 -6.378 0.712) 6.523 2.611 ( 5.995 8.546 -6.209) 12.146 3.359 ( -5.554 5.716 7.484) 10.933 3.496 ( 5.138 -5.863 -3.493) 8.543 4.174 ( 1.403 -2.031 5.364) 5.905 4.455 ( -0.035 1.030 -4.216) 4.341 4.606 ( 1.994 -0.427 2.437) 3.177 4.688 ( -2.772 2.461 -5.661) 6.767 5.079 ( -0.915 0.209 -0.743) 1.197 5.171 ( 1.502 -0.363 -1.337) 2.043 5.323 ( -0.532 0.097 0.028) 0.542 5.698 ( 0.913 -1.555 -1.350) 2.252 7.119 ( -3.032 2.547 11.236) 11.913 7.518 ( 2.790 -2.690 -11.241) 11.890 8.895 ( 2.010 1.935 6.188) 6.789 9.136 ( -2.598 -3.650 -6.805) 8.147 9.904 ( 0.671 1.174 1.514) 2.030 10.223 ( 0.477 1.026 -0.674) 1.317 10.569 ( -3.313 0.094 4.170) 5.327 10.644 ( 2.827 -0.847 -3.596) 4.652 13.191 ( -0.254 -0.035 1.868) 1.886 13.249 ( 0.348 0.439 -2.113) 2.186 13.369 ( -1.038 -0.693 3.160) 3.397 13.484 ( 1.162 0.769 -3.596) 3.857 13.963 ( -0.069 -1.013 0.597) 1.178 13.977 ( 0.233 0.982 -0.875) 1.335 ======================= Grid point 202 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -3.342 -3.495 0.832) 4.907 1.336 ( -3.114 0.223 -0.262) 3.132 1.458 ( -2.841 1.099 7.412) 8.014 1.582 ( -7.151 0.362 2.248) 7.505 1.788 ( -0.423 3.008 4.053) 5.066 1.879 ( 1.191 2.829 1.221) 3.303 1.940 ( 0.239 -1.386 -2.208) 2.618 2.040 ( 0.353 -2.725 -2.259) 3.557 2.224 ( -2.183 0.753 0.213) 2.319 2.292 ( -1.456 -2.022 6.609) 7.063 2.549 ( 3.914 7.377 -7.686) 11.350 2.583 ( -1.245 -4.625 0.438) 4.810 3.166 ( -5.854 9.224 3.816) 11.572 3.553 ( -1.503 3.063 -2.866) 4.456 4.123 ( -8.944 6.961 12.185) 16.641 4.352 ( -1.476 -0.465 -10.732) 10.843 4.595 ( -2.148 3.061 -1.374) 3.984 4.654 ( -0.470 1.279 1.428) 1.974 5.033 ( -2.449 2.627 1.059) 3.745 5.152 ( -0.407 3.140 -3.829) 4.968 5.314 ( 0.724 0.427 0.777) 1.144 5.737 ( -0.544 -3.836 -4.174) 5.695 7.154 ( 2.601 -2.750 12.232) 12.804 7.617 ( 5.857 -5.742 -12.293) 14.778 8.953 ( 3.616 -0.960 5.437) 6.600 9.144 ( -1.463 -5.474 -7.382) 9.306 9.909 ( 1.450 1.147 1.587) 2.436 10.193 ( 0.367 4.356 0.313) 4.383 10.504 ( -5.407 0.431 3.692) 6.562 10.656 ( -0.168 0.653 -3.563) 3.626 13.197 ( 0.002 -0.131 2.182) 2.186 13.245 ( 0.701 0.385 -2.007) 2.160 13.368 ( -1.318 -0.606 3.232) 3.543 13.470 ( 0.414 1.264 -3.553) 3.794 13.965 ( 0.343 0.917 -1.145) 1.507 13.974 ( -0.387 -0.660 0.605) 0.976 ======================= Grid point 203 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -5.869 -3.781 2.305) 7.352 1.264 ( -6.658 -0.553 -0.082) 6.681 1.400 ( -7.262 0.639 11.614) 13.713 1.471 ( -2.971 1.892 -1.205) 3.723 1.775 ( 2.433 1.637 4.292) 5.199 1.860 ( 2.622 3.418 -0.151) 4.310 1.972 ( 0.162 -2.572 -0.815) 2.702 2.071 ( 0.892 -0.907 -3.047) 3.302 2.178 ( -5.109 -1.197 3.293) 6.194 2.304 ( -2.144 0.363 3.311) 3.961 2.493 ( -0.229 0.655 -0.381) 0.792 2.622 ( 0.366 -2.496 -3.241) 4.107 2.977 ( -0.361 10.459 -2.711) 10.810 3.289 ( -11.990 16.379 3.323) 20.568 3.991 ( -4.623 -0.652 13.383) 14.174 4.306 ( -3.916 -1.140 -9.434) 10.278 4.483 ( -3.507 5.754 -0.865) 6.794 4.579 ( -3.507 4.545 0.121) 5.742 4.950 ( -2.639 3.464 2.106) 4.837 5.063 ( -0.939 5.213 -5.361) 7.536 5.348 ( 2.383 -0.886 1.658) 3.035 5.745 ( -2.677 -3.080 -6.333) 7.534 7.324 ( 5.593 -5.325 12.287) 14.512 7.753 ( 5.601 -5.498 -12.918) 15.115 9.047 ( 2.578 -2.017 6.346) 7.140 9.202 ( 0.983 -6.912 -9.569) 11.845 9.929 ( 2.329 0.854 1.336) 2.818 10.112 ( -1.168 6.480 1.516) 6.757 10.429 ( -4.592 0.065 3.364) 5.693 10.603 ( -2.628 1.925 -3.327) 4.656 13.205 ( -0.166 -0.045 2.744) 2.749 13.248 ( 1.082 0.221 -2.222) 2.481 13.367 ( -1.196 -0.738 3.061) 3.369 13.443 ( 0.026 1.480 -3.437) 3.742 13.958 ( 0.638 0.587 -1.466) 1.703 13.972 ( -0.800 -0.244 0.662) 1.067 ======================= Grid point 204 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -6.440 -3.205 4.884) 8.695 1.140 ( -6.991 0.355 1.027) 7.075 1.320 ( -7.915 -0.585 15.958) 17.822 1.451 ( 4.750 1.639 -6.798) 8.453 1.844 ( 4.120 -0.659 5.973) 7.287 1.892 ( 7.935 1.710 -4.728) 9.394 1.992 ( -3.211 -1.434 3.501) 4.962 2.067 ( 0.866 2.372 -2.520) 3.567 2.094 ( -10.003 -2.700 4.515) 11.302 2.210 ( -6.213 1.803 -3.868) 7.537 2.546 ( 1.009 -4.061 5.229) 6.697 2.644 ( 0.048 -0.755 -3.399) 3.482 2.839 ( 2.968 11.199 -2.859) 11.934 2.935 ( -6.019 9.379 3.172) 11.587 4.019 ( -2.147 -3.588 10.010) 10.848 4.213 ( -5.067 -0.683 -4.278) 6.666 4.331 ( -3.683 7.261 2.774) 8.602 4.458 ( -2.396 3.987 -4.328) 6.353 4.881 ( -1.802 2.156 2.270) 3.612 4.973 ( 0.567 3.668 -6.453) 7.444 5.414 ( 3.516 -0.738 3.207) 4.816 5.700 ( -4.321 -1.529 -7.557) 8.838 7.505 ( 3.662 -3.405 13.114) 14.035 7.853 ( 3.788 -3.667 -13.992) 14.952 9.115 ( -0.022 -2.014 6.596) 6.897 9.281 ( 1.898 -4.087 -10.171) 11.125 9.964 ( 2.463 0.342 0.733) 2.592 10.013 ( -1.425 4.041 1.949) 4.708 10.383 ( -2.116 0.610 3.941) 4.515 10.517 ( -3.128 1.672 -3.237) 4.802 13.209 ( -0.446 0.043 2.984) 3.017 13.258 ( 1.165 0.039 -2.512) 2.769 13.369 ( -1.096 -0.675 2.760) 3.045 13.416 ( 0.396 1.104 -3.271) 3.475 13.960 ( 0.710 0.175 -1.388) 1.569 13.961 ( -0.830 0.045 0.443) 0.942 ======================= Grid point 206 (102/129) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 3.600 0.000 10.845) 11.427 1.204 ( 9.409 0.000 1.927) 9.604 1.418 ( 6.446 0.000 -0.746) 6.489 1.561 ( -2.257 -0.000 -0.415) 2.295 1.689 ( 0.275 0.000 -1.468) 1.494 1.864 ( -3.238 -0.000 -3.054) 4.451 2.022 ( 0.038 0.000 2.804) 2.805 2.051 ( -0.195 -0.000 -2.696) 2.703 2.244 ( 5.958 0.000 2.467) 6.448 2.323 ( 3.516 0.000 -3.137) 4.712 2.533 ( -3.775 -0.000 5.480) 6.654 2.595 ( 2.770 0.000 7.179) 7.695 2.851 ( 11.184 0.000 -5.783) 12.590 3.049 ( 7.852 0.000 -5.780) 9.750 4.106 ( -0.626 -0.000 15.352) 15.365 4.213 ( 6.144 0.000 -3.913) 7.284 4.454 ( 6.919 0.000 -7.169) 9.963 4.510 ( 7.836 0.000 -4.163) 8.873 4.916 ( 3.955 0.000 0.830) 4.041 4.966 ( 1.960 0.000 -5.155) 5.515 5.429 ( -3.327 -0.000 -6.010) 6.870 5.663 ( 3.289 0.000 5.885) 6.741 7.542 ( -8.064 -0.000 14.658) 16.729 7.682 ( -5.876 -0.000 -14.409) 15.561 9.114 ( -3.360 -0.000 9.511) 10.087 9.176 ( -5.325 -0.000 -5.588) 7.718 9.962 ( -1.121 -0.000 -0.636) 1.289 10.063 ( 5.222 0.000 -3.670) 6.383 10.481 ( 2.632 0.000 5.292) 5.911 10.495 ( 4.145 0.000 -3.083) 5.166 13.203 ( -0.774 -0.000 2.177) 2.311 13.271 ( 0.633 0.000 -3.433) 3.491 13.341 ( -0.891 -0.000 3.120) 3.245 13.454 ( 2.336 0.000 -3.085) 3.870 13.926 ( -0.530 -0.000 0.690) 0.869 13.994 ( 0.983 0.000 -1.115) 1.486 ======================= Grid point 207 (103/129) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 5.380 3.461 3.883) 7.483 1.324 ( 6.452 0.778 1.726) 6.724 1.464 ( 1.608 1.243 0.199) 2.042 1.572 ( -0.048 -2.833 0.251) 2.844 1.722 ( 0.680 -4.697 -2.797) 5.508 1.840 ( -0.373 -2.220 -3.792) 4.410 2.011 ( 0.558 3.784 -1.139) 3.991 2.041 ( 2.258 1.974 2.749) 4.068 2.287 ( -1.410 0.042 0.136) 1.417 2.331 ( 0.589 -1.243 -2.537) 2.886 2.449 ( -2.001 5.373 5.311) 7.815 2.809 ( 10.124 -5.818 -0.375) 11.683 2.951 ( 13.024 5.501 -1.163) 14.186 3.284 ( 7.706 -10.640 -0.593) 13.151 4.131 ( -0.466 1.610 16.416) 16.502 4.302 ( 8.691 0.913 -8.585) 12.251 4.528 ( 6.958 1.239 -2.039) 7.355 4.656 ( 4.504 -5.737 -7.586) 10.524 5.003 ( 2.433 -1.854 -1.974) 3.640 5.013 ( 5.561 -2.334 -0.161) 6.033 5.361 ( -2.259 1.228 -4.664) 5.325 5.712 ( 1.192 0.570 4.978) 5.150 7.399 ( -9.669 5.000 10.243) 14.947 7.551 ( -6.732 -1.269 -9.928) 12.062 9.031 ( -5.703 3.109 4.196) 7.733 9.099 ( -5.457 -1.973 0.425) 5.819 9.946 ( 0.677 0.873 -1.376) 1.764 10.156 ( 5.904 -1.277 -4.090) 7.295 10.535 ( 2.323 -0.421 4.023) 4.665 10.562 ( 3.645 -0.700 -1.220) 3.907 13.197 ( -0.651 0.110 1.751) 1.871 13.268 ( 0.512 0.235 -3.325) 3.373 13.343 ( -0.567 -0.411 3.628) 3.695 13.481 ( 2.437 0.070 -3.742) 4.466 13.926 ( -0.120 -0.425 0.622) 0.763 14.003 ( 0.709 0.303 -0.855) 1.151 ======================= Grid point 208 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.236 6.398 1.918) 6.684 1.382 ( 0.271 1.367 -1.735) 2.226 1.484 ( 1.301 -1.178 3.717) 4.110 1.601 ( -1.070 -2.323 -0.195) 2.565 1.783 ( -1.629 -3.865 -0.517) 4.226 1.880 ( 1.894 -3.270 -4.802) 6.111 1.960 ( 1.212 4.489 -0.653) 4.696 2.069 ( 4.455 3.784 3.646) 6.889 2.250 ( -1.006 0.754 0.098) 1.261 2.347 ( -1.156 1.991 1.507) 2.752 2.393 ( 1.267 -0.386 1.714) 2.166 2.898 ( 10.598 9.849 -7.166) 16.145 3.223 ( 11.444 -9.990 -1.327) 15.249 3.445 ( -0.608 -1.897 5.950) 6.275 4.166 ( 1.907 1.118 13.203) 13.387 4.427 ( 10.004 -0.896 -9.118) 13.565 4.609 ( 4.278 0.456 0.845) 4.385 4.723 ( 0.056 -1.682 -8.329) 8.498 5.068 ( 2.674 -1.368 -0.572) 3.058 5.133 ( 5.198 -1.872 -0.602) 5.558 5.299 ( -1.993 0.465 -2.047) 2.894 5.712 ( -1.201 1.094 2.735) 3.181 7.213 ( -8.233 4.069 8.697) 12.649 7.450 ( -5.086 -2.433 -8.310) 10.042 8.926 ( -4.834 0.496 1.513) 5.090 9.047 ( -5.405 -2.547 1.976) 6.294 9.949 ( 2.542 1.793 -1.319) 3.379 10.241 ( 5.212 0.284 -3.191) 6.118 10.569 ( -1.197 -0.207 5.152) 5.293 10.621 ( 3.587 -0.576 -2.591) 4.463 13.193 ( -0.272 0.115 1.552) 1.580 13.261 ( 0.486 0.396 -2.925) 2.992 13.352 ( -0.598 -0.468 3.801) 3.876 13.501 ( 1.936 0.447 -4.262) 4.702 13.937 ( 0.279 -0.736 0.496) 0.931 14.002 ( 0.348 0.680 -0.712) 1.044 ======================= Grid point 209 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -2.657 3.848 2.182) 5.160 1.318 ( -6.269 -1.416 -1.867) 6.692 1.503 ( -1.573 1.836 5.523) 6.029 1.593 ( -1.274 0.785 -0.436) 1.558 1.798 ( -0.729 -2.400 0.374) 2.536 1.924 ( 1.348 0.980 -3.582) 3.951 1.936 ( 1.247 0.045 -0.305) 1.285 2.065 ( 1.526 4.399 2.050) 5.087 2.258 ( 2.104 1.028 2.337) 3.309 2.296 ( 0.443 3.946 4.353) 5.892 2.461 ( 2.043 -3.679 -0.922) 4.308 2.863 ( 7.029 12.612 -6.475) 15.824 3.373 ( -3.834 4.043 4.883) 7.409 3.489 ( 5.155 -5.556 -1.375) 7.702 4.227 ( 3.378 1.709 5.491) 6.669 4.489 ( -0.210 5.634 -4.491) 7.208 4.650 ( 1.725 -0.239 1.677) 2.418 4.677 ( 0.326 2.599 -6.043) 6.586 5.095 ( 1.187 1.862 0.787) 2.344 5.205 ( 3.157 0.535 -2.509) 4.068 5.295 ( -0.418 -2.143 0.051) 2.184 5.671 ( -2.768 -0.106 -0.321) 2.788 7.111 ( -4.377 -0.173 11.107) 11.939 7.436 ( -0.478 -6.431 -10.585) 12.395 8.888 ( -2.345 -3.095 -0.377) 3.902 9.017 ( -4.867 -3.873 2.284) 6.626 9.965 ( 3.946 2.794 -1.043) 4.947 10.292 ( 4.643 2.484 -2.176) 5.697 10.531 ( -4.396 1.257 5.017) 6.788 10.662 ( 1.425 -0.221 -2.887) 3.227 13.196 ( 0.108 0.020 1.637) 1.641 13.256 ( 0.656 0.380 -2.626) 2.733 13.357 ( -0.897 -0.222 4.025) 4.129 13.502 ( 1.122 0.937 -4.541) 4.771 13.954 ( 0.305 -0.663 0.388) 0.827 13.992 ( 0.138 0.907 -0.771) 1.198 ======================= Grid point 210 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -5.702 -0.190 0.499) 5.727 1.234 ( -7.798 -2.398 -0.211) 8.161 1.426 ( -5.760 2.589 8.946) 10.950 1.543 ( 0.327 3.858 -2.564) 4.644 1.831 ( 0.822 -0.949 2.521) 2.816 1.916 ( 1.193 1.507 -0.684) 2.040 1.943 ( 0.718 0.927 -0.902) 1.479 2.049 ( 1.294 0.793 -0.920) 1.775 2.242 ( 1.396 5.315 3.334) 6.428 2.310 ( 1.859 0.855 6.398) 6.717 2.536 ( 1.494 -3.258 -2.047) 4.128 2.716 ( -0.412 12.883 -4.350) 13.604 3.259 ( 0.578 8.274 1.016) 8.357 3.551 ( -1.841 1.490 -1.791) 2.969 4.159 ( -6.741 10.620 11.669) 17.158 4.336 ( -0.088 4.747 -9.098) 10.262 4.627 ( 0.982 4.095 -5.544) 6.962 4.666 ( -1.652 1.338 3.884) 4.427 5.068 ( 0.080 4.228 2.387) 4.855 5.198 ( 1.408 4.056 -4.634) 6.317 5.320 ( 0.827 -1.352 0.862) 1.804 5.643 ( -3.263 -3.322 -3.661) 5.924 7.161 ( 0.908 -5.521 11.868) 13.121 7.535 ( 2.183 -9.425 -11.676) 15.163 8.935 ( -0.045 -5.836 0.635) 5.870 9.020 ( -3.209 -5.569 -0.280) 6.433 9.989 ( 4.994 3.429 -0.846) 6.117 10.289 ( 1.606 5.545 -1.037) 5.865 10.448 ( -4.327 1.239 4.828) 6.600 10.648 ( -1.206 1.088 -3.073) 3.475 13.204 ( 0.142 -0.035 2.041) 2.046 13.255 ( 0.860 0.257 -2.567) 2.719 13.356 ( -0.996 -0.048 4.231) 4.346 13.483 ( 0.451 1.351 -4.656) 4.869 13.964 ( -0.071 -0.289 0.423) 0.518 13.979 ( 0.201 0.841 -1.013) 1.332 ======================= Grid point 211 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -3.987 -2.727 1.297) 5.002 1.120 ( -9.320 -1.603 0.235) 9.460 1.339 ( -4.189 3.004 12.079) 13.133 1.505 ( 2.495 2.266 -6.616) 7.425 1.860 ( 2.171 1.038 5.063) 5.605 1.931 ( 0.785 -0.969 1.424) 1.893 1.947 ( 2.101 0.360 -2.029) 2.943 2.048 ( -1.448 0.382 -1.331) 2.004 2.190 ( 1.781 6.468 2.460) 7.145 2.327 ( 0.033 4.394 4.002) 5.944 2.518 ( -2.702 4.716 -0.391) 5.449 2.589 ( 0.449 -2.019 -3.857) 4.376 3.171 ( 5.411 10.977 -3.329) 12.683 3.335 ( -10.405 13.984 2.426) 17.598 3.991 ( -3.427 3.915 14.109) 15.038 4.248 ( -1.713 3.519 -7.583) 8.534 4.539 ( -2.561 6.659 2.256) 7.483 4.599 ( 0.208 4.651 -4.966) 6.806 4.999 ( -0.565 5.710 3.325) 6.631 5.121 ( 0.515 5.940 -6.423) 8.764 5.378 ( 2.909 -1.733 2.604) 4.271 5.623 ( -3.987 -3.689 -6.221) 8.258 7.334 ( 2.822 -8.156 11.953) 14.743 7.665 ( 1.812 -9.267 -12.582) 15.731 9.007 ( -3.681 -5.666 8.682) 11.001 9.101 ( 3.613 -7.718 -9.659) 12.881 10.021 ( 5.570 3.602 -0.843) 6.687 10.168 ( -5.107 6.322 1.588) 8.281 10.419 ( 0.845 1.759 3.383) 3.906 10.580 ( -2.934 2.299 -2.964) 4.762 13.210 ( -0.271 0.048 2.595) 2.610 13.259 ( 0.949 0.075 -2.687) 2.850 13.356 ( -0.737 -0.110 4.058) 4.126 13.454 ( 0.262 1.480 -4.521) 4.764 13.962 ( -0.520 0.103 0.574) 0.782 13.971 ( 0.469 0.521 -1.299) 1.476 ======================= Grid point 212 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -2.836 -1.735 6.633) 7.419 1.076 ( 2.072 -2.348 -2.817) 4.212 1.281 ( -3.574 2.102 14.311) 14.899 1.524 ( 4.998 -0.012 -10.124) 11.291 1.908 ( -2.135 -0.303 6.934) 7.262 1.933 ( -2.190 3.365 5.486) 6.798 1.985 ( -0.666 -2.934 -1.504) 3.363 1.999 ( 3.499 -0.972 -1.212) 3.829 2.153 ( 4.265 5.985 -1.493) 7.499 2.184 ( -1.918 7.888 -4.983) 9.525 2.522 ( -0.335 -2.831 4.841) 5.618 2.612 ( -0.050 -2.469 -3.972) 4.677 2.972 ( -8.521 14.070 7.751) 18.183 3.103 ( 7.213 12.004 -5.650) 15.101 3.991 ( -0.806 -1.278 11.650) 11.748 4.161 ( -0.687 1.893 -5.632) 5.981 4.401 ( -2.833 6.656 4.978) 8.781 4.532 ( 4.337 7.296 -7.764) 11.503 4.927 ( 0.054 4.989 3.078) 5.862 5.029 ( 1.039 5.254 -7.356) 9.099 5.468 ( 3.598 -1.887 4.497) 6.060 5.579 ( -3.981 -2.178 -7.356) 8.643 7.501 ( -0.604 -6.648 12.897) 14.522 7.762 ( 0.623 -7.256 -13.701) 15.516 9.052 ( -3.671 -5.731 8.266) 10.708 9.229 ( 3.505 -4.864 -9.796) 11.485 10.016 ( -5.106 3.175 2.526) 6.522 10.052 ( 4.815 3.740 -1.002) 6.179 10.423 ( 1.904 2.705 3.848) 5.075 10.493 ( -1.957 2.110 -3.227) 4.324 13.210 ( -0.630 0.061 2.785) 2.855 13.265 ( 0.839 -0.059 -2.788) 2.912 13.358 ( -0.790 -0.048 3.349) 3.441 13.430 ( 0.857 1.072 -3.886) 4.121 13.951 ( -0.762 0.306 0.698) 1.078 13.972 ( 0.787 0.155 -1.437) 1.646 ======================= Grid point 215 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -2.072 -0.000 -0.928) 2.271 1.432 ( 6.539 0.000 2.210) 6.903 1.445 ( -2.884 -0.000 0.350) 2.905 1.548 ( 1.192 0.000 -2.526) 2.794 1.686 ( 0.383 0.000 -0.109) 0.398 1.828 ( 2.220 0.000 -5.629) 6.051 2.089 ( 4.011 0.000 -2.792) 4.887 2.113 ( 4.909 0.000 2.482) 5.500 2.251 ( -2.312 -0.000 1.979) 3.043 2.295 ( -0.615 -0.000 -3.587) 3.640 2.517 ( 1.314 0.000 4.519) 4.706 2.931 ( 11.607 0.000 2.530) 11.879 3.266 ( 11.576 0.000 1.967) 11.742 3.271 ( 6.654 0.000 -2.427) 7.083 4.191 ( 0.564 0.000 16.457) 16.466 4.429 ( 10.182 0.000 -10.973) 14.969 4.637 ( 2.295 0.000 -4.292) 4.867 4.649 ( 6.106 0.000 -4.328) 7.484 5.033 ( 3.364 0.000 0.931) 3.490 5.099 ( 7.267 0.000 -1.170) 7.361 5.333 ( -1.015 -0.000 -5.049) 5.150 5.723 ( -2.132 -0.000 4.867) 5.314 7.311 ( -11.955 -0.000 16.089) 20.045 7.382 ( -6.453 -0.000 -15.594) 16.876 8.941 ( -6.119 -0.000 -6.433) 8.879 8.999 ( -8.417 -0.000 11.560) 14.299 9.981 ( 3.722 0.000 -2.153) 4.300 10.243 ( 6.999 0.000 -4.575) 8.361 10.563 ( 0.023 0.000 5.455) 5.455 10.614 ( 3.425 0.000 -1.844) 3.889 13.195 ( -0.314 -0.000 1.434) 1.468 13.268 ( 0.587 0.000 -3.614) 3.662 13.345 ( -0.412 -0.000 4.407) 4.426 13.507 ( 2.242 0.000 -4.526) 5.051 13.926 ( 0.419 0.000 0.449) 0.614 14.012 ( 0.397 0.000 -0.650) 0.761 ======================= Grid point 216 (110/129) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -6.311 1.454 0.247) 6.481 1.305 ( -8.813 2.581 0.076) 9.183 1.552 ( 3.977 1.423 -0.438) 4.246 1.587 ( 4.099 -1.106 -2.456) 4.905 1.709 ( -1.243 -2.959 1.366) 3.488 1.861 ( 2.150 -1.932 -5.712) 6.402 2.072 ( 2.059 6.344 -0.511) 6.689 2.161 ( -0.387 1.700 0.780) 1.910 2.270 ( 4.694 -0.051 0.658) 4.740 2.340 ( 3.239 -3.860 -2.121) 5.467 2.519 ( 4.583 7.490 4.878) 10.045 3.113 ( 8.437 1.043 -3.281) 9.112 3.310 ( 5.963 0.431 0.422) 5.993 3.437 ( 1.550 -1.589 5.554) 5.981 4.266 ( 4.112 0.694 12.611) 13.283 4.555 ( 9.587 0.767 -9.435) 13.473 4.654 ( 0.652 -0.298 -1.548) 1.706 4.715 ( 3.905 0.209 -5.976) 7.142 5.106 ( 3.741 -1.152 2.011) 4.401 5.210 ( 6.222 0.157 -1.676) 6.446 5.288 ( -0.547 2.021 -3.891) 4.419 5.679 ( -5.009 -0.145 3.316) 6.009 7.145 ( -10.037 2.338 11.493) 15.437 7.283 ( -5.348 -4.333 -10.879) 12.874 8.836 ( -4.523 -0.214 -4.681) 6.512 8.913 ( -8.705 -3.102 8.326) 12.439 10.040 ( 5.855 1.844 -1.713) 6.373 10.332 ( 6.270 0.590 -3.695) 7.301 10.560 ( -2.440 0.593 5.111) 5.694 10.651 ( 1.672 -0.309 -1.776) 2.458 13.197 ( 0.051 0.036 1.340) 1.341 13.264 ( 0.607 0.193 -3.390) 3.449 13.354 ( -0.433 -0.069 4.699) 4.720 13.520 ( 1.533 0.352 -5.111) 5.348 13.940 ( 0.868 -0.274 0.214) 0.935 14.011 ( 0.017 0.373 -0.514) 0.635 ======================= Grid point 217 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -8.276 4.022 1.533) 9.328 1.158 ( -8.368 -2.220 -0.757) 8.691 1.532 ( -0.982 3.866 3.759) 5.481 1.640 ( 3.242 1.923 -4.801) 6.104 1.747 ( 0.074 -3.505 0.703) 3.576 1.898 ( 0.379 -2.376 -4.953) 5.506 2.024 ( 2.408 4.922 0.490) 5.501 2.107 ( -1.806 2.447 0.643) 3.108 2.346 ( 4.694 1.310 1.536) 5.109 2.441 ( 3.513 -2.916 -1.449) 4.790 2.498 ( 7.177 10.737 5.431) 14.010 3.079 ( -0.254 11.031 -2.124) 11.236 3.381 ( 0.953 -0.394 0.447) 1.124 3.496 ( 2.230 -2.567 3.102) 4.602 4.350 ( 4.749 3.581 6.140) 8.548 4.569 ( 0.135 7.460 -4.324) 8.623 4.658 ( 0.888 -0.294 -0.114) 0.942 4.733 ( 2.893 2.910 -5.490) 6.854 5.167 ( 2.931 2.292 2.282) 4.365 5.242 ( 2.138 -0.849 -1.867) 2.963 5.298 ( 3.212 1.126 -2.895) 4.469 5.596 ( -6.502 -0.553 0.581) 6.551 7.047 ( -6.176 -2.265 12.722) 14.322 7.280 ( -1.243 -7.936 -12.038) 14.472 8.794 ( -2.729 -3.391 -0.950) 4.455 8.869 ( -6.154 -5.066 2.760) 8.435 10.097 ( 6.829 3.632 -1.131) 7.817 10.397 ( 5.224 2.071 -3.071) 6.404 10.495 ( -5.198 1.960 5.627) 7.908 10.660 ( -0.360 -0.144 -2.325) 2.357 13.203 ( 0.203 -0.017 1.503) 1.517 13.262 ( 0.651 0.178 -3.090) 3.163 13.360 ( -0.556 0.197 4.929) 4.964 13.514 ( 0.781 0.786 -5.416) 5.528 13.958 ( 0.804 -0.148 0.083) 0.822 14.000 ( -0.206 0.605 -0.529) 0.830 ======================= Grid point 218 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -4.405 1.437 0.484) 4.659 1.060 ( -8.009 -2.142 -0.326) 8.297 1.468 ( -0.756 4.938 6.593) 8.272 1.607 ( 1.043 4.441 -5.417) 7.082 1.804 ( 0.361 -3.348 1.414) 3.652 1.908 ( -0.843 -1.978 -4.744) 5.209 2.004 ( 1.743 3.728 1.740) 4.468 2.067 ( 0.162 1.113 -0.639) 1.294 2.387 ( 2.569 1.971 3.732) 4.941 2.477 ( 7.309 10.869 4.511) 13.853 2.512 ( 2.659 -0.725 -1.480) 3.129 2.836 ( -6.449 13.195 -1.611) 14.775 3.392 ( 3.945 4.298 0.108) 5.835 3.526 ( -2.788 0.414 0.028) 2.818 4.267 ( -5.125 12.449 11.764) 17.878 4.422 ( 1.468 8.691 -7.144) 11.346 4.665 ( -2.326 1.727 3.966) 4.911 4.702 ( 4.142 3.628 -7.964) 9.682 5.156 ( 1.388 4.935 3.209) 6.048 5.271 ( 1.726 4.438 -4.559) 6.592 5.323 ( 2.928 -2.084 0.001) 3.594 5.519 ( -5.388 -3.167 -3.061) 6.959 7.098 ( -1.882 -7.910 13.226) 15.525 7.378 ( 1.466 -10.357 -13.024) 16.704 8.821 ( -5.783 -6.843 8.774) 12.540 8.900 ( 2.328 -6.207 -8.563) 10.830 10.145 ( 7.029 4.710 -0.659) 8.487 10.335 ( -5.884 5.280 1.267) 8.007 10.466 ( 2.802 1.407 2.566) 4.052 10.627 ( -2.189 0.911 -2.855) 3.711 13.211 ( -0.061 -0.031 1.954) 1.955 13.261 ( 0.639 0.042 -2.919) 2.988 13.362 ( -0.478 0.423 5.055) 5.095 13.492 ( 0.346 1.150 -5.523) 5.652 13.967 ( 0.337 0.237 0.207) 0.460 13.987 ( -0.162 0.559 -0.714) 0.921 ======================= Grid point 219 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.478 -0.856 2.938) 3.398 1.004 ( 2.104 -1.861 -2.988) 4.101 1.409 ( -0.380 5.772 7.698) 9.629 1.548 ( 1.216 2.810 -6.751) 7.413 1.852 ( -0.718 -2.930 3.051) 4.291 1.914 ( -0.372 -2.266 -3.001) 3.779 1.992 ( 0.945 1.552 2.477) 3.072 2.044 ( -0.366 2.369 -3.005) 3.844 2.392 ( 2.828 6.576 4.826) 8.633 2.453 ( 4.910 7.835 1.315) 9.340 2.522 ( -2.630 3.794 -1.069) 4.738 2.572 ( -2.057 5.622 -3.603) 6.988 3.351 ( -5.743 8.950 2.995) 11.047 3.398 ( 2.901 8.235 -1.474) 8.855 4.069 ( -3.804 8.147 16.140) 18.476 4.306 ( 1.270 8.172 -7.391) 11.091 4.569 ( -3.813 4.925 4.452) 7.656 4.704 ( 5.830 4.680 -9.480) 12.073 5.097 ( 0.268 6.428 3.729) 7.436 5.194 ( 0.369 5.797 -6.228) 8.516 5.400 ( 0.936 -2.764 3.879) 4.854 5.500 ( -0.903 -3.286 -6.619) 7.445 7.252 ( -1.581 -10.488 12.786) 16.613 7.510 ( 1.976 -9.962 -13.485) 16.882 8.854 ( -5.932 -7.781 9.334) 13.522 9.047 ( 6.644 -7.283 -10.363) 14.303 10.144 ( -7.127 5.375 3.202) 9.483 10.186 ( 5.567 5.408 -0.818) 7.804 10.497 ( 3.181 2.259 2.465) 4.615 10.555 ( -2.751 1.976 -3.109) 4.598 13.212 ( -0.608 0.046 2.406) 2.482 13.263 ( 0.572 -0.126 -2.712) 2.774 13.365 ( -0.334 0.483 4.666) 4.703 13.464 ( 0.470 1.221 -5.285) 5.445 13.964 ( -0.144 0.594 0.485) 0.780 13.978 ( 0.123 0.252 -0.960) 1.000 ======================= Grid point 220 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 4.650 -2.092 0.896) 5.177 1.138 ( 8.831 -1.737 -1.079) 9.065 1.344 ( -0.629 5.337 10.053) 11.399 1.543 ( 2.723 -0.813 -7.769) 8.272 1.882 ( -1.555 -1.284 3.923) 4.411 1.921 ( -1.963 -0.617 -1.660) 2.644 1.978 ( -0.454 1.613 -2.013) 2.619 2.003 ( -0.114 0.379 2.320) 2.354 2.278 ( -0.179 8.103 -5.518) 9.805 2.363 ( 4.480 9.821 -1.207) 10.862 2.497 ( -0.735 -0.893 5.369) 5.492 2.560 ( 0.032 -1.993 -3.498) 4.026 3.084 ( -4.271 14.157 5.471) 15.767 3.359 ( 5.715 9.143 -0.061) 10.783 4.021 ( -0.956 1.458 14.584) 14.687 4.210 ( 2.840 5.755 -7.664) 9.996 4.467 ( -0.619 5.407 3.589) 6.520 4.698 ( 6.379 5.877 -8.583) 12.202 5.026 ( 0.954 6.023 3.272) 6.920 5.098 ( 0.428 5.545 -6.702) 8.709 5.428 ( -3.444 -3.575 -1.315) 5.135 5.552 ( 4.401 -1.297 -0.410) 4.606 7.378 ( -5.027 -9.173 11.105) 15.256 7.622 ( 0.775 -7.820 -11.922) 14.279 8.916 ( -3.697 -7.966 8.425) 12.170 9.196 ( 4.221 -4.252 -9.878) 11.553 9.978 ( -5.712 2.884 3.336) 7.216 10.191 ( 3.676 5.508 -0.684) 6.658 10.484 ( -0.088 2.391 -1.940) 3.080 10.521 ( 2.546 2.158 1.865) 3.824 13.207 ( -0.886 -0.003 2.465) 2.619 13.265 ( 0.419 -0.219 -2.553) 2.597 13.363 ( -0.587 0.656 3.550) 3.658 13.448 ( 1.282 0.767 -4.262) 4.516 13.951 ( -0.399 0.759 0.693) 1.102 13.978 ( 0.496 -0.127 -1.090) 1.205 ======================= Grid point 224 (115/129) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -8.637 -0.000 -2.193) 8.911 1.196 ( -9.445 -0.000 2.700) 9.824 1.592 ( -1.025 -0.000 3.759) 3.896 1.655 ( 5.156 0.000 -5.892) 7.829 1.687 ( 1.272 0.000 -0.051) 1.273 1.855 ( 0.821 0.000 -5.083) 5.148 2.132 ( -0.806 -0.000 -0.325) 0.869 2.151 ( -1.369 -0.000 2.053) 2.468 2.366 ( 4.555 0.000 -1.696) 4.861 2.367 ( 5.921 0.000 -0.339) 5.930 2.706 ( 10.044 0.000 0.638) 10.065 3.222 ( 4.901 0.000 -1.683) 5.182 3.334 ( -1.450 -0.000 2.911) 3.252 3.478 ( 0.426 0.000 5.843) 5.859 4.393 ( 6.834 0.000 9.264) 11.512 4.658 ( 0.943 0.000 -0.911) 1.312 4.661 ( 3.748 0.000 -3.174) 4.912 4.778 ( 7.025 0.000 -10.281) 12.452 5.160 ( 3.475 0.000 1.973) 3.996 5.297 ( 1.250 0.000 -4.068) 4.256 5.304 ( 5.117 0.000 -1.970) 5.483 5.580 ( -8.120 -0.000 3.428) 8.814 7.030 ( -11.642 -0.000 16.808) 20.446 7.147 ( -1.287 -0.000 -16.217) 16.268 8.763 ( -10.020 -0.000 11.812) 15.490 8.773 ( -0.764 -0.000 -9.527) 9.557 10.154 ( 7.051 0.000 -0.730) 7.088 10.422 ( 5.758 0.000 -3.080) 6.530 10.530 ( -4.189 -0.000 4.437) 6.102 10.653 ( -0.384 -0.000 -1.528) 1.576 13.203 ( 0.184 0.000 1.303) 1.316 13.264 ( 0.537 0.000 -3.345) 3.388 13.363 ( -0.312 -0.000 5.144) 5.153 13.525 ( 0.871 0.000 -5.629) 5.696 13.956 ( 1.217 0.000 -0.094) 1.221 14.009 ( -0.364 -0.000 -0.321) 0.485 ======================= Grid point 225 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -4.309 -0.224 -1.914) 4.720 1.046 ( -7.571 1.991 2.458) 8.205 1.561 ( -2.897 1.347 7.233) 7.907 1.689 ( 2.620 1.164 -7.199) 7.749 1.732 ( 2.435 -1.300 -0.339) 2.781 1.850 ( -1.158 -1.495 -4.407) 4.795 2.110 ( -0.103 1.435 0.581) 1.552 2.116 ( -0.172 3.274 1.281) 3.521 2.426 ( 2.921 0.400 -0.148) 2.952 2.442 ( 2.083 -1.511 -0.102) 2.576 2.817 ( 11.877 8.878 0.310) 14.832 3.134 ( -7.820 6.547 0.872) 10.236 3.410 ( 5.465 -2.496 -0.812) 6.062 3.482 ( -2.520 -1.277 5.085) 5.817 4.496 ( 4.482 3.734 5.398) 7.948 4.643 ( -0.867 4.164 -1.515) 4.515 4.681 ( 2.121 0.119 0.862) 2.293 4.808 ( 2.446 3.676 -8.165) 9.283 5.242 ( 5.446 -0.373 0.615) 5.493 5.289 ( 2.529 2.312 -1.525) 3.751 5.352 ( 1.554 0.343 -2.528) 2.988 5.463 ( -8.211 -0.920 1.032) 8.327 6.934 ( -8.474 -3.263 15.893) 18.305 7.147 ( 2.517 -5.033 -15.349) 16.348 8.674 ( -7.983 -2.993 11.040) 13.948 8.775 ( 2.714 -2.391 -10.318) 10.934 10.248 ( 6.724 2.128 0.443) 7.066 10.445 ( -6.002 2.216 2.543) 6.885 10.493 ( 4.474 0.597 -0.391) 4.530 10.633 ( -1.745 -0.234 -2.260) 2.865 13.210 ( 0.046 -0.028 1.491) 1.492 13.262 ( 0.409 0.006 -3.079) 3.106 13.373 ( -0.280 0.254 5.396) 5.409 13.514 ( 0.364 0.409 -5.835) 5.860 13.973 ( 1.025 0.146 -0.189) 1.052 13.998 ( -0.596 0.242 -0.253) 0.692 ======================= Grid point 226 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -1.946 1.123 1.872) 2.925 0.991 ( 2.706 0.616 -2.353) 3.638 1.522 ( -1.904 2.040 7.799) 8.283 1.660 ( 0.776 3.561 -6.416) 7.379 1.780 ( 0.414 -1.677 1.636) 2.379 1.844 ( -0.881 -2.549 -4.419) 5.177 2.063 ( -1.012 3.117 2.384) 4.053 2.103 ( 1.615 2.075 -1.628) 3.093 2.443 ( 0.485 0.872 1.808) 2.065 2.470 ( -1.009 -1.502 -0.763) 1.964 2.826 ( 2.573 12.087 3.310) 12.794 2.894 ( -0.613 11.038 -3.510) 11.599 3.448 ( -4.136 -0.139 4.246) 5.929 3.509 ( 3.537 -0.046 -1.896) 4.014 4.401 ( -4.790 12.486 10.385) 16.932 4.545 ( 1.126 7.194 -3.576) 8.113 4.673 ( -2.005 2.696 2.951) 4.472 4.793 ( 4.639 1.711 -9.590) 10.790 5.251 ( 0.719 3.859 3.254) 5.099 5.324 ( -1.544 2.109 -2.306) 3.485 5.329 ( -3.319 -0.648 1.217) 3.594 5.417 ( 4.800 -2.151 -5.835) 7.856 6.966 ( -4.717 -8.909 14.733) 17.852 7.254 ( 4.959 -7.506 -14.670) 17.209 8.659 ( -5.833 -5.487 10.306) 13.052 8.868 ( 6.730 -4.899 -11.015) 13.807 10.284 ( -4.717 4.184 3.664) 7.292 10.319 ( 2.010 3.512 0.708) 4.108 10.544 ( 3.305 1.162 0.694) 3.571 10.592 ( -1.738 0.608 -3.477) 3.935 13.213 ( -0.394 0.006 1.903) 1.944 13.259 ( 0.285 -0.133 -2.810) 2.827 13.380 ( -0.228 0.517 5.448) 5.477 13.492 ( 0.209 0.732 -5.838) 5.887 13.981 ( 0.529 0.541 0.041) 0.757 13.985 ( -0.566 0.213 -0.386) 0.718 ======================= Grid point 227 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 5.059 0.672 0.515) 5.130 1.084 ( 8.726 -1.263 -2.203) 9.089 1.487 ( -0.999 3.016 6.343) 7.094 1.589 ( 0.069 4.123 -4.849) 6.365 1.806 ( -1.046 -2.648 1.850) 3.395 1.866 ( -0.210 -2.340 -1.466) 2.769 2.015 ( -1.124 2.030 0.872) 2.478 2.081 ( 0.711 2.840 -2.415) 3.795 2.438 ( -2.029 -0.649 0.929) 2.324 2.464 ( -0.971 -1.433 0.276) 1.753 2.573 ( -6.573 11.066 -3.914) 13.453 2.812 ( 5.864 14.686 0.524) 15.822 3.361 ( -4.357 3.827 2.962) 6.512 3.520 ( 1.289 3.310 0.731) 3.626 4.185 ( -4.149 10.388 14.886) 18.620 4.446 ( 2.469 9.062 -5.430) 10.849 4.604 ( -1.118 4.120 2.369) 4.882 4.801 ( 2.813 1.482 -9.210) 9.743 5.190 ( -0.804 5.251 2.611) 5.919 5.239 ( -2.206 3.795 -3.710) 5.747 5.315 ( -2.380 -3.975 0.394) 4.650 5.523 ( 6.641 -0.425 -3.315) 7.434 7.089 ( -3.868 -10.886 12.660) 17.139 7.397 ( 4.847 -7.388 -13.410) 16.059 8.703 ( -3.071 -6.594 8.925) 11.513 9.038 ( 8.227 -6.164 -10.855) 14.951 10.101 ( -8.377 5.109 3.748) 10.503 10.326 ( 1.767 3.671 1.686) 4.409 10.543 ( 0.510 1.707 -4.388) 4.736 10.577 ( 2.143 1.759 1.903) 3.363 13.208 ( -0.861 0.093 2.195) 2.359 13.258 ( 0.187 -0.303 -2.445) 2.471 13.383 ( -0.346 0.740 4.872) 4.940 13.469 ( 0.579 0.711 -5.363) 5.441 13.975 ( -0.183 0.233 -0.300) 0.422 13.976 ( 0.008 0.575 0.078) 0.581 ======================= Grid point 228 (119/129) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 7.157 0.229 -1.869) 7.401 1.241 ( 7.293 -2.383 -0.653) 7.700 1.438 ( -0.806 4.572 7.980) 9.232 1.568 ( 3.728 0.125 -3.966) 5.445 1.841 ( -0.483 -3.155 1.768) 3.649 1.878 ( -1.427 -1.508 0.194) 2.085 1.976 ( -0.651 1.205 -2.579) 2.920 2.037 ( -0.437 3.514 0.374) 3.561 2.336 ( -3.819 7.289 -5.081) 9.671 2.409 ( -2.262 -0.986 -2.674) 3.638 2.501 ( 1.399 -2.706 0.246) 3.057 2.635 ( -2.891 12.813 3.355) 13.557 3.265 ( 4.036 9.348 0.261) 10.185 3.486 ( -1.013 2.304 4.824) 5.441 4.094 ( -0.480 4.635 13.426) 14.211 4.356 ( 4.871 8.380 -7.037) 11.978 4.549 ( 0.956 4.065 2.416) 4.824 4.792 ( 1.438 0.767 -8.198) 8.358 5.119 ( -0.354 4.021 0.282) 4.047 5.146 ( -0.621 4.064 -2.426) 4.773 5.339 ( -0.990 -2.528 -0.978) 2.886 5.611 ( 4.650 -0.358 -0.562) 4.698 7.194 ( -5.234 -8.897 10.226) 14.531 7.511 ( 2.249 -5.637 -11.051) 12.607 8.799 ( -0.280 -6.938 7.949) 10.554 9.181 ( 4.124 -2.883 -10.229) 11.400 9.943 ( -4.985 2.543 3.756) 6.740 10.274 ( -1.757 3.604 0.648) 4.061 10.537 ( 3.940 2.334 -3.759) 5.925 10.585 ( 0.918 1.554 2.845) 3.369 13.199 ( -0.930 0.025 2.159) 2.350 13.257 ( 0.092 -0.365 -2.213) 2.245 13.376 ( -0.653 0.966 3.451) 3.642 13.463 ( 1.342 0.235 -4.049) 4.272 13.962 ( -0.135 1.079 0.653) 1.268 13.976 ( 0.155 -0.491 -0.811) 0.960 ======================= Grid point 233 (120/129) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -3.250 -0.000 1.668) 3.653 1.006 ( 3.662 -0.000 -1.496) 3.955 1.542 ( -3.110 -0.000 9.214) 9.725 1.709 ( 1.278 -0.000 -7.101) 7.215 1.764 ( 2.276 -0.000 0.025) 2.276 1.796 ( -2.311 -0.000 -3.894) 4.528 2.122 ( 0.373 -0.000 1.400) 1.449 2.138 ( -0.310 0.000 0.243) 0.394 2.443 ( -0.181 -0.000 0.995) 1.011 2.456 ( -0.429 -0.000 -0.404) 0.589 3.032 ( -11.026 -0.000 2.073) 11.219 3.065 ( 10.715 -0.000 -1.602) 10.834 3.429 ( -4.194 -0.000 3.644) 5.556 3.478 ( 5.724 -0.000 -1.323) 5.875 4.597 ( 2.083 -0.000 3.341) 3.937 4.649 ( -1.226 -0.000 -1.578) 1.999 4.727 ( 1.825 -0.000 1.805) 2.567 4.804 ( -3.279 -0.000 -6.156) 6.975 5.268 ( -7.787 -0.000 4.331) 8.910 5.334 ( 0.959 -0.000 2.201) 2.400 5.375 ( 9.896 -0.000 -6.174) 11.664 5.390 ( -2.013 -0.000 -3.170) 3.755 6.826 ( -6.986 -0.000 16.281) 17.716 7.140 ( 6.862 -0.000 -15.719) 17.152 8.579 ( -5.302 -0.000 10.876) 12.099 8.797 ( 6.285 -0.000 -11.434) 13.047 10.355 ( 3.864 0.000 2.991) 4.887 10.361 ( -7.713 -0.000 3.242) 8.367 10.563 ( 3.902 -0.000 -1.062) 4.044 10.596 ( -1.148 -0.000 -3.581) 3.760 13.213 ( -0.252 -0.000 1.667) 1.686 13.257 ( 0.134 -0.000 -2.853) 2.856 13.388 ( -0.223 -0.000 5.659) 5.663 13.502 ( 0.111 -0.000 -5.898) 5.899 13.988 ( -0.855 -0.000 -0.117) 0.863 13.989 ( 0.811 -0.000 -0.209) 0.838 ======================= Grid point 235 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 4.140 0.175 1.491) 4.403 1.093 ( 8.329 1.215 -2.205) 8.701 1.527 ( -2.135 0.368 8.573) 8.842 1.676 ( -1.966 1.387 -3.806) 4.502 1.760 ( -0.602 -0.438 -2.688) 2.789 1.803 ( 0.390 -1.877 -0.579) 2.003 2.100 ( -0.485 3.331 1.255) 3.593 2.141 ( 1.104 0.910 -0.863) 1.671 2.420 ( -3.557 -0.320 0.626) 3.626 2.433 ( -2.723 -0.949 0.775) 2.986 2.825 ( -9.513 5.519 -0.191) 11.000 3.142 ( 5.589 6.994 -0.188) 8.955 3.376 ( -4.044 -0.363 2.697) 4.875 3.555 ( 3.058 -0.437 -2.288) 3.844 4.504 ( -6.734 9.932 7.534) 14.169 4.617 ( -0.285 2.365 -1.818) 2.996 4.692 ( -0.656 2.265 -0.082) 2.359 4.776 ( -2.989 -3.279 -4.961) 6.656 5.211 ( -2.242 -1.936 1.723) 3.427 5.307 ( -2.668 2.549 1.616) 4.029 5.324 ( -2.908 1.569 -2.823) 4.346 5.524 ( 9.828 0.039 -4.851) 10.960 6.837 ( -3.023 -5.583 15.371) 16.631 7.245 ( 8.962 -3.025 -15.065) 17.788 8.574 ( -1.633 -2.403 9.713) 10.139 8.903 ( 8.959 -2.838 -11.695) 15.003 10.221 ( -8.625 2.782 3.332) 9.655 10.381 ( -1.690 0.470 4.698) 5.015 10.583 ( 2.353 1.042 -5.027) 5.648 10.609 ( 2.279 0.461 -0.148) 2.330 13.211 ( -0.630 0.088 2.021) 2.119 13.250 ( -0.034 -0.188 -2.596) 2.603 13.399 ( -0.321 0.326 5.693) 5.712 13.484 ( 0.105 0.271 -5.753) 5.760 13.973 ( -0.832 -0.027 -0.243) 0.867 13.996 ( 0.396 0.414 0.073) 0.578 ======================= Grid point 236 (122/129) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 9.411 0.165 1.445) 9.522 1.199 ( 7.388 0.938 -3.078) 8.058 1.510 ( -1.715 1.081 6.402) 6.716 1.608 ( -1.872 1.323 -2.362) 3.291 1.766 ( 0.056 -1.784 -0.625) 1.891 1.826 ( -1.431 -2.249 1.398) 3.011 2.035 ( -1.140 3.713 -0.656) 3.939 2.125 ( 0.735 2.836 -1.231) 3.178 2.370 ( -4.031 -1.369 -0.637) 4.304 2.408 ( -3.570 -2.358 1.958) 4.705 2.604 ( -4.870 8.044 -5.166) 10.729 3.024 ( -4.572 12.214 3.272) 13.446 3.343 ( -2.282 -0.885 4.164) 4.830 3.553 ( -0.360 1.925 -2.463) 3.147 4.297 ( -4.658 8.066 10.877) 14.320 4.555 ( -0.345 4.091 -3.787) 5.586 4.649 ( -1.035 2.454 -0.101) 2.666 4.750 ( -3.078 -2.446 -4.763) 6.176 5.208 ( -3.401 2.789 -1.356) 4.602 5.213 ( -2.187 0.285 1.238) 2.529 5.275 ( -0.645 -1.167 -1.374) 1.915 5.638 ( 7.588 1.574 -3.641) 8.562 6.950 ( -1.136 -7.516 13.787) 15.743 7.386 ( 8.511 -3.057 -14.110) 16.759 8.647 ( 1.772 -3.678 8.184) 9.146 9.068 ( 9.176 -4.228 -11.550) 15.345 10.047 ( -8.112 4.020 3.953) 9.880 10.331 ( -4.728 0.568 3.563) 5.947 10.599 ( 3.955 1.863 -4.877) 6.550 10.621 ( 0.319 0.982 1.526) 1.842 13.203 ( -0.860 0.230 2.179) 2.354 13.246 ( -0.049 -0.412 -2.196) 2.234 13.401 ( -0.677 0.738 4.836) 4.938 13.468 ( 0.482 0.090 -4.909) 4.934 13.964 ( -0.487 -0.343 -0.543) 0.806 13.991 ( 0.037 0.819 0.440) 0.930 ======================= Grid point 237 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 2.759 4.747 -2.125) 5.887 1.302 ( 5.588 -2.524 -0.160) 6.134 1.474 ( -2.630 1.064 7.885) 8.380 1.620 ( 3.668 -1.210 -2.057) 4.376 1.804 ( 0.679 -2.270 -0.446) 2.411 1.833 ( -1.831 -2.384 3.514) 4.624 1.974 ( -0.976 1.658 -2.837) 3.427 2.082 ( -0.615 3.745 0.115) 3.797 2.317 ( -4.285 0.277 -2.839) 5.148 2.360 ( -3.383 2.242 0.034) 4.059 2.486 ( 1.499 -0.777 -5.405) 5.663 2.735 ( -8.754 12.409 6.138) 16.380 3.345 ( -4.131 -3.878 6.932) 8.953 3.514 ( 2.321 3.883 -3.324) 5.614 4.200 ( -0.585 5.159 7.918) 9.469 4.486 ( 0.162 3.164 -4.784) 5.738 4.604 ( -0.578 1.806 2.000) 2.756 4.719 ( -3.224 -2.392 -5.019) 6.427 5.120 ( -2.710 1.400 -1.705) 3.495 5.176 ( -0.721 1.065 0.382) 1.341 5.306 ( 0.258 -2.458 -1.001) 2.666 5.693 ( 4.404 2.599 -2.491) 5.688 7.064 ( -1.739 -5.586 12.269) 13.593 7.493 ( 6.232 -0.965 -12.728) 14.205 8.773 ( 3.865 -4.159 7.162) 9.139 9.185 ( 3.887 -0.773 -10.740) 11.448 9.915 ( -3.866 1.719 4.037) 5.847 10.255 ( -4.147 0.654 1.591) 4.490 10.603 ( -1.684 0.851 3.027) 3.567 10.622 ( 3.676 1.590 -4.284) 5.865 13.194 ( -0.682 0.177 2.089) 2.205 13.246 ( 0.050 -0.453 -1.955) 2.008 13.387 ( -0.994 0.955 3.267) 3.546 13.469 ( 0.940 -0.399 -3.507) 3.652 13.965 ( -0.020 -0.749 -0.793) 1.091 13.978 ( -0.146 1.046 0.635) 1.232 ======================= Grid point 243 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 8.312 0.000 1.650) 8.474 1.239 ( 8.865 0.000 -1.699) 9.026 1.525 ( -1.648 -0.000 6.941) 7.134 1.619 ( -4.648 -0.000 -0.833) 4.722 1.749 ( 0.482 0.000 -4.769) 4.794 1.776 ( -2.331 -0.000 2.587) 3.482 2.129 ( -0.541 -0.000 0.643) 0.840 2.171 ( 2.500 0.000 -0.454) 2.541 2.346 ( -5.727 -0.000 0.367) 5.739 2.353 ( -5.609 -0.000 1.128) 5.721 2.725 ( -7.011 -0.000 -1.131) 7.102 3.195 ( -3.981 -0.000 1.177) 4.151 3.350 ( -1.280 -0.000 1.108) 1.692 3.573 ( -0.287 -0.000 -3.698) 3.710 4.435 ( -16.304 -0.000 14.803) 22.022 4.577 ( -2.089 -0.000 -8.028) 8.295 4.659 ( -2.453 -0.000 -1.925) 3.118 4.739 ( 1.358 0.000 -1.602) 2.100 5.204 ( 1.032 0.000 -2.302) 2.523 5.263 ( -4.120 -0.000 -0.653) 4.172 5.266 ( -5.220 -0.000 1.879) 5.548 5.659 ( 8.682 0.000 -4.754) 9.898 6.837 ( 1.677 0.000 15.486) 15.577 7.343 ( 11.194 0.000 -15.038) 18.747 8.597 ( 2.760 0.000 8.514) 8.950 9.000 ( 10.442 0.000 -12.183) 16.046 10.114 ( -8.632 -0.000 3.386) 9.273 10.331 ( -5.822 -0.000 5.219) 7.819 10.628 ( 3.481 0.000 -4.784) 5.916 10.635 ( 0.443 0.000 0.329) 0.552 13.208 ( -0.756 -0.000 2.410) 2.525 13.239 ( -0.133 -0.000 -2.447) 2.451 13.412 ( -0.614 -0.000 5.772) 5.805 13.469 ( 0.046 0.000 -5.564) 5.565 13.959 ( -0.772 -0.000 -0.413) 0.876 14.003 ( 0.083 0.000 0.316) 0.327 ======================= Grid point 244 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 8.360 -1.146 1.879) 8.644 1.326 ( 4.609 3.674 -0.636) 5.929 1.501 ( -3.629 1.129 4.350) 5.776 1.561 ( -2.080 -2.311 -0.549) 3.157 1.748 ( 0.203 -1.424 -0.423) 1.500 1.759 ( -2.975 -2.273 2.015) 4.252 2.072 ( -2.193 4.475 -0.364) 4.997 2.172 ( -0.286 2.901 -0.327) 2.933 2.280 ( -4.148 -1.335 -0.345) 4.371 2.311 ( -2.358 -4.102 1.077) 4.852 2.613 ( -2.625 3.932 -4.665) 6.642 3.054 ( -9.000 7.609 2.880) 12.132 3.277 ( -7.696 1.548 3.677) 8.669 3.528 ( -3.796 -2.852 -3.844) 6.108 4.247 ( -12.910 -1.784 17.372) 21.717 4.514 ( -1.950 0.727 -10.365) 10.572 4.625 ( -1.629 -0.187 -0.020) 1.639 4.725 ( -1.205 1.572 -3.425) 3.956 5.145 ( -5.507 0.303 -1.558) 5.731 5.187 ( -4.937 -0.590 0.453) 4.993 5.255 ( 1.826 0.105 -0.388) 1.870 5.756 ( 6.057 1.081 -4.592) 7.678 6.953 ( 4.228 -1.983 14.700) 15.423 7.480 ( 11.065 -0.212 -14.605) 18.324 8.700 ( 5.863 -1.140 6.981) 9.187 9.140 ( 9.677 -1.538 -12.349) 15.765 9.982 ( -7.112 2.064 4.187) 8.507 10.250 ( -6.572 -0.634 4.481) 7.980 10.623 ( -1.901 0.453 1.161) 2.273 10.654 ( 2.148 0.589 -4.351) 4.888 13.201 ( -0.719 0.274 2.538) 2.652 13.234 ( 0.047 -0.355 -2.082) 2.113 13.412 ( -1.081 0.652 4.720) 4.886 13.456 ( 0.170 -0.416 -4.526) 4.548 13.950 ( -0.357 -0.316 -0.770) 0.906 14.000 ( -0.235 0.436 0.584) 0.766 ======================= Grid point 245 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -2.444 6.155 -0.926) 6.687 1.350 ( 2.043 0.086 0.885) 2.228 1.453 ( -2.398 -0.881 7.473) 7.897 1.607 ( -0.227 -3.999 -0.925) 4.111 1.757 ( -2.723 -3.118 3.385) 5.347 1.803 ( 2.179 -3.088 0.359) 3.796 1.980 ( -1.252 2.943 -2.378) 3.986 2.111 ( -1.974 2.722 -0.659) 3.426 2.248 ( -2.128 -0.676 0.072) 2.234 2.336 ( -1.232 -0.584 1.556) 2.069 2.508 ( 0.683 4.353 -7.970) 9.107 2.755 ( -10.476 9.736 6.947) 15.900 3.170 ( -9.510 -5.571 4.288) 11.826 3.533 ( -1.909 -4.602 -3.252) 5.950 4.162 ( -10.330 -3.933 14.695) 18.388 4.434 ( -1.343 2.074 -11.959) 12.211 4.610 ( -1.834 -0.224 2.893) 3.433 4.660 ( -2.698 -0.398 -3.387) 4.349 5.063 ( -4.558 -0.843 -0.205) 4.640 5.146 ( -2.470 -2.118 -1.824) 3.730 5.285 ( 1.450 -0.770 -0.171) 1.651 5.783 ( 2.659 2.934 -4.449) 5.955 7.081 ( 3.903 -0.177 13.477) 14.032 7.588 ( 9.227 1.900 -13.643) 16.579 8.841 ( 6.654 -1.402 6.082) 9.123 9.219 ( 3.827 1.851 -11.363) 12.132 9.895 ( -2.234 0.595 4.250) 4.838 10.183 ( -4.761 -1.774 2.705) 5.756 10.573 ( -4.141 0.439 2.379) 4.796 10.659 ( 0.877 0.121 -4.047) 4.143 13.196 ( -0.386 0.283 2.359) 2.407 13.237 ( 0.345 -0.443 -1.794) 1.880 13.391 ( -1.333 0.937 3.026) 3.437 13.459 ( 0.289 -0.969 -3.074) 3.236 13.952 ( 0.129 -0.711 -1.060) 1.283 13.988 ( -0.430 0.698 0.688) 1.070 ======================= Grid point 252 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 3.034 0.000 1.365) 3.327 1.403 ( -0.517 -0.000 6.196) 6.218 1.465 ( -4.567 -0.000 4.979) 6.756 1.478 ( -2.732 -0.000 -3.417) 4.375 1.722 ( -0.288 -0.000 -3.403) 3.415 1.729 ( 0.195 0.000 3.389) 3.394 2.056 ( -3.790 -0.000 0.644) 3.844 2.139 ( -4.848 -0.000 -0.330) 4.859 2.246 ( 0.192 0.000 1.801) 1.811 2.288 ( 3.001 0.000 -1.952) 3.580 2.607 ( 0.297 0.000 -4.695) 4.705 2.975 ( -8.858 -0.000 -1.786) 9.036 3.199 ( -9.189 -0.000 4.940) 10.433 3.267 ( -19.189 -0.000 1.982) 19.291 4.107 ( -8.540 -0.000 19.090) 20.913 4.467 ( -1.534 -0.000 -10.142) 10.257 4.592 ( -1.891 -0.000 -0.852) 2.074 4.676 ( -5.168 -0.000 -5.638) 7.648 5.056 ( -5.438 -0.000 -1.299) 5.591 5.085 ( -5.640 -0.000 0.213) 5.644 5.292 ( 2.013 0.000 0.128) 2.017 5.823 ( 3.277 0.000 -5.533) 6.430 7.086 ( 7.329 0.000 14.558) 16.299 7.613 ( 11.158 0.000 -14.648) 18.414 8.824 ( 7.871 0.000 5.639) 9.682 9.240 ( 8.453 0.000 -12.973) 15.484 9.914 ( -4.505 -0.000 4.661) 6.483 10.149 ( -7.038 -0.000 4.921) 8.588 10.583 ( -3.990 -0.000 1.412) 4.232 10.657 ( -0.312 -0.000 -4.186) 4.197 13.202 ( -0.605 -0.000 3.036) 3.095 13.228 ( 0.495 0.000 -2.130) 2.187 13.413 ( -1.487 -0.000 5.044) 5.259 13.438 ( -0.006 -0.000 -4.923) 4.923 13.942 ( 0.088 0.000 -1.143) 1.147 13.999 ( -0.582 -0.000 0.723) 0.928 ======================= Grid point 253 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -6.393 4.375 3.139) 8.359 1.362 ( -3.207 2.497 -0.298) 4.075 1.415 ( -3.225 -1.938 7.273) 8.188 1.505 ( -3.748 -5.074 2.253) 6.698 1.721 ( 1.566 -0.472 -0.657) 1.763 1.784 ( 1.525 -3.129 0.305) 3.494 1.999 ( -0.369 1.983 -0.687) 2.131 2.084 ( -2.123 -0.373 -1.401) 2.571 2.256 ( 0.481 1.983 2.464) 3.199 2.323 ( 0.042 -0.507 -0.542) 0.743 2.574 ( 0.901 6.353 -6.841) 9.379 2.728 ( -11.037 7.659 6.518) 14.932 2.953 ( -10.096 -4.150 -0.377) 10.923 3.241 ( -12.965 -16.683 3.980) 21.501 4.049 ( -5.748 1.298 15.893) 16.951 4.406 ( -1.903 0.522 -10.594) 10.776 4.538 ( -7.779 0.071 -1.678) 7.958 4.577 ( -3.116 -2.855 -1.623) 4.528 4.974 ( -4.604 -0.769 0.531) 4.698 5.043 ( -3.201 -3.901 -2.829) 5.785 5.319 ( 2.101 0.598 0.683) 2.288 5.820 ( -0.002 1.607 -6.168) 6.374 7.235 ( 7.196 2.151 13.651) 15.581 7.723 ( 9.358 1.732 -14.108) 17.018 8.962 ( 7.008 0.091 5.153) 8.699 9.282 ( 3.555 3.277 -11.988) 12.926 9.893 ( 0.172 -0.189 4.127) 4.134 10.080 ( -4.992 -2.846 3.644) 6.804 10.509 ( -5.443 0.503 2.276) 5.921 10.631 ( -1.912 -0.864 -3.881) 4.412 13.202 ( -0.356 0.160 2.934) 2.960 13.235 ( 0.890 -0.245 -1.970) 2.176 13.392 ( -1.434 1.003 2.928) 3.411 13.434 ( -0.141 -1.218 -3.085) 3.320 13.946 ( 0.511 -0.383 -1.415) 1.553 13.987 ( -0.820 0.271 0.744) 1.140 ======================= Grid point 261 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -6.592 -0.000 2.960) 7.226 1.266 ( -10.374 -0.000 6.989) 12.509 1.402 ( 1.553 0.000 -4.776) 5.022 1.405 ( -6.322 -0.000 10.037) 11.862 1.771 ( 6.145 0.000 -5.830) 8.471 1.795 ( 1.909 0.000 4.051) 4.478 2.013 ( 0.372 0.000 0.388) 0.537 2.053 ( -0.751 -0.000 -0.836) 1.123 2.272 ( -4.627 -0.000 2.318) 5.175 2.293 ( -3.627 -0.000 -2.552) 4.434 2.659 ( -11.286 -0.000 9.843) 14.975 2.671 ( 2.957 0.000 -4.344) 5.255 2.693 ( -5.892 -0.000 -2.713) 6.487 2.949 ( -7.130 -0.000 4.508) 8.435 4.053 ( -2.604 -0.000 13.144) 13.399 4.326 ( -4.597 -0.000 -5.441) 7.123 4.379 ( -9.919 -0.000 -2.086) 10.136 4.493 ( -3.665 -0.000 -2.938) 4.697 4.908 ( -3.654 -0.000 1.043) 3.800 4.962 ( -1.098 -0.000 -4.180) 4.322 5.363 ( 2.595 0.000 1.780) 3.147 5.790 ( -2.578 -0.000 -7.285) 7.727 7.407 ( 6.483 0.000 13.637) 15.100 7.829 ( 7.572 0.000 -14.456) 16.319 9.073 ( 4.470 0.000 5.032) 6.730 9.320 ( 2.066 0.000 -11.501) 11.685 9.927 ( 2.619 0.000 3.008) 3.988 9.995 ( -3.432 -0.000 3.245) 4.723 10.435 ( -5.265 -0.000 3.058) 6.089 10.567 ( -3.334 -0.000 -3.615) 4.918 13.206 ( -0.415 -0.000 3.124) 3.151 13.245 ( 1.244 0.000 -2.171) 2.503 13.389 ( -1.538 -0.000 3.529) 3.849 13.411 ( 0.190 0.000 -3.933) 3.938 13.949 ( 0.829 0.000 -1.648) 1.845 13.976 ( -1.070 -0.000 0.745) 1.304 =================== 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 3/16128 10.0 90.925 62.719 133.117 -0.000 -22.008 0.000 3/16128 20.0 26.481 16.101 31.481 -0.000 -6.016 0.000 3/16128 30.0 16.327 9.923 17.801 -0.000 -3.660 0.000 3/16128 40.0 11.918 7.463 12.494 -0.000 -2.669 0.000 3/16128 50.0 9.364 6.029 9.649 -0.000 -2.103 0.000 3/16128 60.0 7.704 5.067 7.898 -0.000 -1.740 0.000 3/16128 70.0 6.549 4.377 6.722 -0.000 -1.489 0.000 3/16128 80.0 5.702 3.856 5.880 -0.000 -1.307 0.000 3/16128 90.0 5.056 3.450 5.245 -0.000 -1.168 0.000 3/16128 100.0 4.547 3.124 4.746 -0.000 -1.058 0.000 3/16128 110.0 4.135 2.856 4.343 -0.000 -0.969 0.000 3/16128 120.0 3.794 2.631 4.008 -0.000 -0.894 0.000 3/16128 130.0 3.507 2.440 3.725 -0.000 -0.831 0.000 3/16128 140.0 3.261 2.276 3.481 -0.000 -0.777 0.000 3/16128 150.0 3.049 2.132 3.269 -0.000 -0.730 0.000 3/16128 160.0 2.863 2.006 3.083 -0.000 -0.688 0.000 3/16128 170.0 2.700 1.894 2.917 -0.000 -0.651 0.000 3/16128 180.0 2.554 1.794 2.769 -0.000 -0.618 0.000 3/16128 190.0 2.423 1.704 2.635 -0.000 -0.589 0.000 3/16128 200.0 2.305 1.623 2.514 -0.000 -0.562 0.000 3/16128 210.0 2.199 1.549 2.404 -0.000 -0.537 0.000 3/16128 220.0 2.101 1.481 2.303 -0.000 -0.514 0.000 3/16128 230.0 2.012 1.420 2.210 -0.000 -0.494 0.000 3/16128 240.0 1.931 1.363 2.124 -0.000 -0.474 0.000 3/16128 250.0 1.856 1.310 2.045 -0.000 -0.457 0.000 3/16128 260.0 1.786 1.262 1.971 -0.000 -0.440 0.000 3/16128 270.0 1.722 1.217 1.903 -0.000 -0.425 0.000 3/16128 280.0 1.661 1.175 1.839 -0.000 -0.411 0.000 3/16128 290.0 1.606 1.135 1.779 -0.000 -0.397 0.000 3/16128 300.0 1.553 1.099 1.723 -0.000 -0.385 0.000 3/16128 310.0 1.504 1.064 1.670 -0.000 -0.373 0.000 3/16128 320.0 1.458 1.032 1.621 -0.000 -0.362 0.000 3/16128 330.0 1.415 1.002 1.574 -0.000 -0.352 0.000 3/16128 340.0 1.374 0.973 1.530 -0.000 -0.342 0.000 3/16128 350.0 1.336 0.946 1.488 -0.000 -0.332 0.000 3/16128 360.0 1.299 0.920 1.449 -0.000 -0.324 0.000 3/16128 370.0 1.265 0.896 1.411 -0.000 -0.315 0.000 3/16128 380.0 1.232 0.873 1.375 -0.000 -0.307 0.000 3/16128 390.0 1.201 0.851 1.342 -0.000 -0.300 0.000 3/16128 400.0 1.172 0.830 1.309 -0.000 -0.292 0.000 3/16128 410.0 1.143 0.810 1.278 -0.000 -0.286 0.000 3/16128 420.0 1.117 0.791 1.249 -0.000 -0.279 0.000 3/16128 430.0 1.091 0.773 1.221 -0.000 -0.273 0.000 3/16128 440.0 1.067 0.756 1.194 -0.000 -0.267 0.000 3/16128 450.0 1.043 0.740 1.168 -0.000 -0.261 0.000 3/16128 460.0 1.021 0.724 1.144 -0.000 -0.256 0.000 3/16128 470.0 1.000 0.709 1.120 -0.000 -0.250 0.000 3/16128 480.0 0.979 0.694 1.098 -0.000 -0.245 0.000 3/16128 490.0 0.959 0.680 1.076 -0.000 -0.240 0.000 3/16128 500.0 0.940 0.667 1.055 -0.000 -0.236 0.000 3/16128 510.0 0.922 0.654 1.035 -0.000 -0.231 0.000 3/16128 520.0 0.905 0.642 1.015 -0.000 -0.227 0.000 3/16128 530.0 0.888 0.630 0.997 -0.000 -0.223 0.000 3/16128 540.0 0.872 0.618 0.979 -0.000 -0.219 0.000 3/16128 550.0 0.856 0.607 0.961 -0.000 -0.215 0.000 3/16128 560.0 0.841 0.597 0.944 -0.000 -0.211 0.000 3/16128 570.0 0.826 0.586 0.928 -0.000 -0.207 0.000 3/16128 580.0 0.812 0.576 0.913 -0.000 -0.204 0.000 3/16128 590.0 0.799 0.567 0.897 -0.000 -0.200 0.000 3/16128 600.0 0.785 0.557 0.883 -0.000 -0.197 0.000 3/16128 610.0 0.773 0.548 0.869 -0.000 -0.194 0.000 3/16128 620.0 0.760 0.540 0.855 -0.000 -0.191 0.000 3/16128 630.0 0.748 0.531 0.842 -0.000 -0.188 0.000 3/16128 640.0 0.737 0.523 0.829 -0.000 -0.185 0.000 3/16128 650.0 0.726 0.515 0.816 -0.000 -0.182 0.000 3/16128 660.0 0.715 0.507 0.804 -0.000 -0.180 0.000 3/16128 670.0 0.704 0.500 0.792 -0.000 -0.177 0.000 3/16128 680.0 0.694 0.492 0.781 -0.000 -0.174 0.000 3/16128 690.0 0.684 0.485 0.770 -0.000 -0.172 0.000 3/16128 700.0 0.674 0.479 0.759 -0.000 -0.170 0.000 3/16128 710.0 0.665 0.472 0.748 -0.000 -0.167 0.000 3/16128 720.0 0.656 0.465 0.738 -0.000 -0.165 0.000 3/16128 730.0 0.647 0.459 0.728 -0.000 -0.163 0.000 3/16128 740.0 0.638 0.453 0.718 -0.000 -0.160 0.000 3/16128 750.0 0.630 0.447 0.709 -0.000 -0.158 0.000 3/16128 760.0 0.621 0.441 0.700 -0.000 -0.156 0.000 3/16128 770.0 0.613 0.436 0.691 -0.000 -0.154 0.000 3/16128 780.0 0.606 0.430 0.682 -0.000 -0.152 0.000 3/16128 790.0 0.598 0.425 0.674 -0.000 -0.150 0.000 3/16128 800.0 0.591 0.419 0.665 -0.000 -0.149 0.000 3/16128 810.0 0.583 0.414 0.657 -0.000 -0.147 0.000 3/16128 820.0 0.576 0.409 0.649 -0.000 -0.145 0.000 3/16128 830.0 0.569 0.404 0.642 -0.000 -0.143 0.000 3/16128 840.0 0.563 0.400 0.634 -0.000 -0.142 0.000 3/16128 850.0 0.556 0.395 0.627 -0.000 -0.140 0.000 3/16128 860.0 0.550 0.390 0.619 -0.000 -0.138 0.000 3/16128 870.0 0.543 0.386 0.612 -0.000 -0.137 0.000 3/16128 880.0 0.537 0.382 0.606 -0.000 -0.135 0.000 3/16128 890.0 0.531 0.377 0.599 -0.000 -0.134 0.000 3/16128 900.0 0.525 0.373 0.592 -0.000 -0.132 0.000 3/16128 910.0 0.520 0.369 0.586 -0.000 -0.131 0.000 3/16128 920.0 0.514 0.365 0.579 -0.000 -0.129 0.000 3/16128 930.0 0.509 0.361 0.573 -0.000 -0.128 0.000 3/16128 940.0 0.503 0.357 0.567 -0.000 -0.127 0.000 3/16128 950.0 0.498 0.354 0.561 -0.000 -0.125 0.000 3/16128 960.0 0.493 0.350 0.556 -0.000 -0.124 0.000 3/16128 970.0 0.488 0.346 0.550 -0.000 -0.123 0.000 3/16128 980.0 0.483 0.343 0.544 -0.000 -0.122 0.000 3/16128 990.0 0.478 0.339 0.539 -0.000 -0.120 0.000 3/16128 1000.0 0.473 0.336 0.534 -0.000 -0.119 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:18:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|