----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:43:49]------------------------- 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: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.936056155000000 -4.696064740000000 0.000000000000000 b 2.936056155000000 4.696064740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.472033320000000 Atomic positions (fractional): *1 O 0.83001070233288 0.73902624721286 0.25000000000000 15.999 2 O 0.16998929766711 0.26097375278713 0.75000000000000 15.999 3 O 0.73902624721286 0.83001070233288 0.75000000000000 15.999 4 O 0.26097375278713 0.16998929766711 0.25000000000000 15.999 *5 O 0.24687489438384 0.75312510561616 0.06429394471960 15.999 6 O 0.75312510561616 0.24687489438384 0.56429394471960 15.999 7 O 0.24687489438384 0.75312510561616 0.43570605528040 15.999 8 O 0.75312510561616 0.24687489438384 0.93570605528040 15.999 *9 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *11 P 0.86104634122707 0.13895365877293 0.75000000000000 30.974 12 P 0.13895365877293 0.86104634122707 0.25000000000000 30.974 *13 Hg 0.19078170296573 0.80921829703427 0.75000000000000 200.590 14 Hg 0.80921829703427 0.19078170296573 0.25000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.872112310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.392129479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.472033320000000 Atomic positions (fractional): *1 O 0.78451847477287 0.95450777243999 0.25000000000000 15.999 > 1 2 O 0.21548152522712 0.04549222756001 0.75000000000000 15.999 > 2 3 O 0.78451847477287 0.04549222756001 0.75000000000000 15.999 > 3 4 O 0.21548152522712 0.95450777243999 0.25000000000000 15.999 > 4 *5 O 0.50000000000000 0.25312510561616 0.06429394471960 15.999 > 5 6 O 0.50000000000000 0.74687489438384 0.56429394471960 15.999 > 6 7 O 0.50000000000000 0.25312510561616 0.43570605528040 15.999 > 7 8 O 0.50000000000000 0.74687489438384 0.93570605528040 15.999 > 8 9 O 0.28451847477288 0.45450777243999 0.25000000000000 15.999 > 1 10 O 0.71548152522713 0.54549222756001 0.75000000000000 15.999 > 2 11 O 0.28451847477288 0.54549222756001 0.75000000000000 15.999 > 3 12 O 0.71548152522713 0.45450777243999 0.25000000000000 15.999 > 4 13 O 0.00000000000000 0.75312510561616 0.06429394471960 15.999 > 5 14 O 0.00000000000000 0.24687489438384 0.56429394471960 15.999 > 6 15 O 0.00000000000000 0.75312510561616 0.43570605528040 15.999 > 7 16 O 0.00000000000000 0.24687489438384 0.93570605528040 15.999 > 8 *17 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 9 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 10 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 9 20 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 10 *21 P 0.50000000000000 0.63895365877293 0.75000000000000 30.974 > 11 22 P 0.50000000000000 0.36104634122707 0.25000000000000 30.974 > 12 23 P 0.00000000000000 0.13895365877293 0.75000000000000 30.974 > 11 24 P 0.00000000000000 0.86104634122707 0.25000000000000 30.974 > 12 *25 Hg 0.50000000000000 0.30921829703427 0.75000000000000 200.590 > 13 26 Hg 0.50000000000000 0.69078170296573 0.25000000000000 200.590 > 14 27 Hg 0.00000000000000 0.80921829703427 0.75000000000000 200.590 > 13 28 Hg 0.00000000000000 0.19078170296573 0.25000000000000 200.590 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.744224620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.392129479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.944066640000001 Atomic positions (fractional): *1 O 0.39225923738644 0.95450777243999 0.12500000000000 15.999 > 1 2 O 0.89225923738644 0.95450777243999 0.12500000000000 15.999 > 1 3 O 0.39225923738644 0.95450777243999 0.62500000000000 15.999 > 1 4 O 0.89225923738644 0.95450777243999 0.62500000000000 15.999 > 1 5 O 0.10774076261356 0.04549222756001 0.37500000000000 15.999 > 2 6 O 0.60774076261356 0.04549222756001 0.37500000000000 15.999 > 2 7 O 0.10774076261356 0.04549222756001 0.87500000000000 15.999 > 2 8 O 0.60774076261356 0.04549222756001 0.87500000000000 15.999 > 2 9 O 0.39225923738644 0.04549222756001 0.37500000000000 15.999 > 3 10 O 0.89225923738644 0.04549222756001 0.37500000000000 15.999 > 3 11 O 0.39225923738644 0.04549222756001 0.87500000000000 15.999 > 3 12 O 0.89225923738644 0.04549222756001 0.87500000000000 15.999 > 3 13 O 0.10774076261356 0.95450777243999 0.12500000000000 15.999 > 4 14 O 0.60774076261356 0.95450777243999 0.12500000000000 15.999 > 4 15 O 0.10774076261356 0.95450777243999 0.62500000000000 15.999 > 4 16 O 0.60774076261356 0.95450777243999 0.62500000000000 15.999 > 4 *17 O 0.25000000000000 0.25312510561616 0.03214697235980 15.999 > 5 18 O 0.75000000000000 0.25312510561616 0.03214697235980 15.999 > 5 19 O 0.25000000000000 0.25312510561616 0.53214697235980 15.999 > 5 20 O 0.75000000000000 0.25312510561616 0.53214697235980 15.999 > 5 21 O 0.25000000000000 0.74687489438384 0.28214697235980 15.999 > 6 22 O 0.75000000000000 0.74687489438384 0.28214697235980 15.999 > 6 23 O 0.25000000000000 0.74687489438384 0.78214697235980 15.999 > 6 24 O 0.75000000000000 0.74687489438384 0.78214697235980 15.999 > 6 25 O 0.25000000000000 0.25312510561616 0.21785302764020 15.999 > 7 26 O 0.75000000000000 0.25312510561616 0.21785302764020 15.999 > 7 27 O 0.25000000000000 0.25312510561616 0.71785302764020 15.999 > 7 28 O 0.75000000000000 0.25312510561616 0.71785302764020 15.999 > 7 29 O 0.25000000000000 0.74687489438384 0.46785302764020 15.999 > 8 30 O 0.75000000000000 0.74687489438384 0.46785302764020 15.999 > 8 31 O 0.25000000000000 0.74687489438384 0.96785302764020 15.999 > 8 32 O 0.75000000000000 0.74687489438384 0.96785302764020 15.999 > 8 33 O 0.14225923738644 0.45450777243999 0.12500000000000 15.999 > 1 34 O 0.64225923738644 0.45450777243999 0.12500000000000 15.999 > 1 35 O 0.14225923738644 0.45450777243999 0.62500000000000 15.999 > 1 36 O 0.64225923738644 0.45450777243999 0.62500000000000 15.999 > 1 37 O 0.35774076261356 0.54549222756001 0.37500000000000 15.999 > 2 38 O 0.85774076261356 0.54549222756001 0.37500000000000 15.999 > 2 39 O 0.35774076261356 0.54549222756001 0.87500000000000 15.999 > 2 40 O 0.85774076261356 0.54549222756001 0.87500000000000 15.999 > 2 41 O 0.14225923738644 0.54549222756001 0.37500000000000 15.999 > 3 42 O 0.64225923738644 0.54549222756001 0.37500000000000 15.999 > 3 43 O 0.14225923738644 0.54549222756001 0.87500000000000 15.999 > 3 44 O 0.64225923738644 0.54549222756001 0.87500000000000 15.999 > 3 45 O 0.35774076261356 0.45450777243999 0.12500000000000 15.999 > 4 46 O 0.85774076261356 0.45450777243999 0.12500000000000 15.999 > 4 47 O 0.35774076261356 0.45450777243999 0.62500000000000 15.999 > 4 48 O 0.85774076261356 0.45450777243999 0.62500000000000 15.999 > 4 49 O 0.00000000000000 0.75312510561616 0.03214697235980 15.999 > 5 50 O 0.50000000000000 0.75312510561616 0.03214697235980 15.999 > 5 51 O 0.00000000000000 0.75312510561616 0.53214697235980 15.999 > 5 52 O 0.50000000000000 0.75312510561616 0.53214697235980 15.999 > 5 53 O 0.00000000000000 0.24687489438384 0.28214697235980 15.999 > 6 54 O 0.50000000000000 0.24687489438384 0.28214697235980 15.999 > 6 55 O 0.00000000000000 0.24687489438384 0.78214697235980 15.999 > 6 56 O 0.50000000000000 0.24687489438384 0.78214697235980 15.999 > 6 57 O 0.00000000000000 0.75312510561616 0.21785302764020 15.999 > 7 58 O 0.50000000000000 0.75312510561616 0.21785302764020 15.999 > 7 59 O 0.00000000000000 0.75312510561616 0.71785302764020 15.999 > 7 60 O 0.50000000000000 0.75312510561616 0.71785302764020 15.999 > 7 61 O 0.00000000000000 0.24687489438384 0.46785302764020 15.999 > 8 62 O 0.50000000000000 0.24687489438384 0.46785302764020 15.999 > 8 63 O 0.00000000000000 0.24687489438384 0.96785302764020 15.999 > 8 64 O 0.50000000000000 0.24687489438384 0.96785302764020 15.999 > 8 *65 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 9 66 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 9 67 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 9 68 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 9 69 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 10 70 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 10 71 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 10 72 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 10 73 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 9 74 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 9 75 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 9 76 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 9 77 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 10 78 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 10 79 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 10 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 10 *81 P 0.25000000000000 0.63895365877293 0.37500000000000 30.974 > 11 82 P 0.75000000000000 0.63895365877293 0.37500000000000 30.974 > 11 83 P 0.25000000000000 0.63895365877293 0.87500000000000 30.974 > 11 84 P 0.75000000000000 0.63895365877293 0.87500000000000 30.974 > 11 85 P 0.25000000000000 0.36104634122707 0.12500000000000 30.974 > 12 86 P 0.75000000000000 0.36104634122707 0.12500000000000 30.974 > 12 87 P 0.25000000000000 0.36104634122707 0.62500000000000 30.974 > 12 88 P 0.75000000000000 0.36104634122707 0.62500000000000 30.974 > 12 89 P 0.00000000000000 0.13895365877293 0.37500000000000 30.974 > 11 90 P 0.50000000000000 0.13895365877293 0.37500000000000 30.974 > 11 91 P 0.00000000000000 0.13895365877293 0.87500000000000 30.974 > 11 92 P 0.50000000000000 0.13895365877293 0.87500000000000 30.974 > 11 93 P 0.00000000000000 0.86104634122707 0.12500000000000 30.974 > 12 94 P 0.50000000000000 0.86104634122707 0.12500000000000 30.974 > 12 95 P 0.00000000000000 0.86104634122707 0.62500000000000 30.974 > 12 96 P 0.50000000000000 0.86104634122707 0.62500000000000 30.974 > 12 *97 Hg 0.25000000000000 0.30921829703427 0.37500000000000 200.590 > 13 98 Hg 0.75000000000000 0.30921829703427 0.37500000000000 200.590 > 13 99 Hg 0.25000000000000 0.30921829703427 0.87500000000000 200.590 > 13 100 Hg 0.75000000000000 0.30921829703427 0.87500000000000 200.590 > 13 101 Hg 0.25000000000000 0.69078170296573 0.12500000000000 200.590 > 14 102 Hg 0.75000000000000 0.69078170296573 0.12500000000000 200.590 > 14 103 Hg 0.25000000000000 0.69078170296573 0.62500000000000 200.590 > 14 104 Hg 0.75000000000000 0.69078170296573 0.62500000000000 200.590 > 14 105 Hg 0.00000000000000 0.80921829703427 0.37500000000000 200.590 > 13 106 Hg 0.50000000000000 0.80921829703427 0.37500000000000 200.590 > 13 107 Hg 0.00000000000000 0.80921829703427 0.87500000000000 200.590 > 13 108 Hg 0.50000000000000 0.80921829703427 0.87500000000000 200.590 > 13 109 Hg 0.00000000000000 0.19078170296573 0.12500000000000 200.590 > 14 110 Hg 0.50000000000000 0.19078170296573 0.12500000000000 200.590 > 14 111 Hg 0.00000000000000 0.19078170296573 0.62500000000000 200.590 > 14 112 Hg 0.50000000000000 0.19078170296573 0.62500000000000 200.590 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1056026 0.0000000 0.0000000 0.0000000 3.5267132 0.0000000 0.0000000 0.0000000 4.4043293 -------------------------- Born effective charges -------------------------- 1 O -1.8150099 0.0193613 0.0000000 0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 2 O -1.8150099 0.0193613 0.0000000 0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 3 O -1.8150099 -0.0193613 0.0000000 -0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 4 O -1.8150099 -0.0193613 0.0000000 -0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 5 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 -0.3487026 0.0000000 -0.8853380 -2.9563991 6 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 0.3487026 0.0000000 0.8853380 -2.9563991 7 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 0.3487026 0.0000000 0.8853380 -2.9563991 8 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 -0.3487026 0.0000000 -0.8853380 -2.9563991 9 Na 1.2765029 0.0000000 0.0000000 0.0000000 1.2644397 -0.0390710 0.0000000 -0.0326458 1.0304631 10 Na 1.2765029 0.0000000 0.0000000 0.0000000 1.2644397 0.0390710 0.0000000 0.0326458 1.0304631 11 P 2.6118430 0.0000000 0.0000000 0.0000000 2.9168208 0.0000000 0.0000000 0.0000000 4.2940106 12 P 2.6118430 0.0000000 0.0000000 0.0000000 2.9168208 0.0000000 0.0000000 0.0000000 4.2940106 13 Hg 1.8041642 0.0000000 0.0000000 0.0000000 2.4866438 0.0000000 0.0000000 0.0000000 2.9696498 14 Hg 1.8041642 0.0000000 0.0000000 0.0000000 2.4866438 0.0000000 0.0000000 0.0000000 2.9696498 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1025 Number of blocks in projector: 1025 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: 213 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 173 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (1025, 1004), data: False |-- (117, 117), data: True |-- (173, 171), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (213, 209), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.038 Solver_block: 200 / 240 - Time: 1.041 Solver_block: 240 / 240 - Time: 0.479 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.583 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1025 Number of blocks in projector: 1025 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: 213 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 173 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (1025, 1004), data: False |-- (117, 117), data: True |-- (173, 171), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (213, 209), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:44:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:44:02]------------------------- 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: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.936056155000000 -4.696064740000000 0.000000000000000 b 2.936056155000000 4.696064740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.472033320000000 Atomic positions (fractional): 1 O 0.83001070233288 0.73902624721286 0.25000000000000 15.999 2 O 0.16998929766711 0.26097375278713 0.75000000000000 15.999 3 O 0.73902624721286 0.83001070233288 0.75000000000000 15.999 4 O 0.26097375278713 0.16998929766711 0.25000000000000 15.999 5 O 0.24687489438384 0.75312510561616 0.06429394471960 15.999 6 O 0.75312510561616 0.24687489438384 0.56429394471960 15.999 7 O 0.24687489438384 0.75312510561616 0.43570605528040 15.999 8 O 0.75312510561616 0.24687489438384 0.93570605528040 15.999 9 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 11 P 0.86104634122707 0.13895365877293 0.75000000000000 30.974 12 P 0.13895365877293 0.86104634122707 0.25000000000000 30.974 13 Hg 0.19078170296573 0.80921829703427 0.75000000000000 200.590 14 Hg 0.80921829703427 0.19078170296573 0.25000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.744224620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.392129479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.944066640000001 Atomic positions (fractional): 1 O 0.39225923738644 0.95450777243999 0.12500000000000 15.999 > 1 2 O 0.89225923738644 0.95450777243999 0.12500000000000 15.999 > 1 3 O 0.39225923738644 0.95450777243999 0.62500000000000 15.999 > 1 4 O 0.89225923738644 0.95450777243999 0.62500000000000 15.999 > 1 5 O 0.10774076261356 0.04549222756001 0.37500000000000 15.999 > 5 6 O 0.60774076261356 0.04549222756001 0.37500000000000 15.999 > 5 7 O 0.10774076261356 0.04549222756001 0.87500000000000 15.999 > 5 8 O 0.60774076261356 0.04549222756001 0.87500000000000 15.999 > 5 9 O 0.39225923738644 0.04549222756001 0.37500000000000 15.999 > 9 10 O 0.89225923738644 0.04549222756001 0.37500000000000 15.999 > 9 11 O 0.39225923738644 0.04549222756001 0.87500000000000 15.999 > 9 12 O 0.89225923738644 0.04549222756001 0.87500000000000 15.999 > 9 13 O 0.10774076261356 0.95450777243999 0.12500000000000 15.999 > 13 14 O 0.60774076261356 0.95450777243999 0.12500000000000 15.999 > 13 15 O 0.10774076261356 0.95450777243999 0.62500000000000 15.999 > 13 16 O 0.60774076261356 0.95450777243999 0.62500000000000 15.999 > 13 17 O 0.25000000000000 0.25312510561616 0.03214697235980 15.999 > 17 18 O 0.75000000000000 0.25312510561616 0.03214697235980 15.999 > 17 19 O 0.25000000000000 0.25312510561616 0.53214697235980 15.999 > 17 20 O 0.75000000000000 0.25312510561616 0.53214697235980 15.999 > 17 21 O 0.25000000000000 0.74687489438384 0.28214697235980 15.999 > 21 22 O 0.75000000000000 0.74687489438384 0.28214697235980 15.999 > 21 23 O 0.25000000000000 0.74687489438384 0.78214697235980 15.999 > 21 24 O 0.75000000000000 0.74687489438384 0.78214697235980 15.999 > 21 25 O 0.25000000000000 0.25312510561616 0.21785302764020 15.999 > 25 26 O 0.75000000000000 0.25312510561616 0.21785302764020 15.999 > 25 27 O 0.25000000000000 0.25312510561616 0.71785302764020 15.999 > 25 28 O 0.75000000000000 0.25312510561616 0.71785302764020 15.999 > 25 29 O 0.25000000000000 0.74687489438384 0.46785302764020 15.999 > 29 30 O 0.75000000000000 0.74687489438384 0.46785302764020 15.999 > 29 31 O 0.25000000000000 0.74687489438384 0.96785302764020 15.999 > 29 32 O 0.75000000000000 0.74687489438384 0.96785302764020 15.999 > 29 33 O 0.14225923738644 0.45450777243999 0.12500000000000 15.999 > 1 34 O 0.64225923738644 0.45450777243999 0.12500000000000 15.999 > 1 35 O 0.14225923738644 0.45450777243999 0.62500000000000 15.999 > 1 36 O 0.64225923738644 0.45450777243999 0.62500000000000 15.999 > 1 37 O 0.35774076261356 0.54549222756001 0.37500000000000 15.999 > 5 38 O 0.85774076261356 0.54549222756001 0.37500000000000 15.999 > 5 39 O 0.35774076261356 0.54549222756001 0.87500000000000 15.999 > 5 40 O 0.85774076261356 0.54549222756001 0.87500000000000 15.999 > 5 41 O 0.14225923738644 0.54549222756001 0.37500000000000 15.999 > 9 42 O 0.64225923738644 0.54549222756001 0.37500000000000 15.999 > 9 43 O 0.14225923738644 0.54549222756001 0.87500000000000 15.999 > 9 44 O 0.64225923738644 0.54549222756001 0.87500000000000 15.999 > 9 45 O 0.35774076261356 0.45450777243999 0.12500000000000 15.999 > 13 46 O 0.85774076261356 0.45450777243999 0.12500000000000 15.999 > 13 47 O 0.35774076261356 0.45450777243999 0.62500000000000 15.999 > 13 48 O 0.85774076261356 0.45450777243999 0.62500000000000 15.999 > 13 49 O 0.00000000000000 0.75312510561616 0.03214697235980 15.999 > 17 50 O 0.50000000000000 0.75312510561616 0.03214697235980 15.999 > 17 51 O 0.00000000000000 0.75312510561616 0.53214697235980 15.999 > 17 52 O 0.50000000000000 0.75312510561616 0.53214697235980 15.999 > 17 53 O 0.00000000000000 0.24687489438384 0.28214697235980 15.999 > 21 54 O 0.50000000000000 0.24687489438384 0.28214697235980 15.999 > 21 55 O 0.00000000000000 0.24687489438384 0.78214697235980 15.999 > 21 56 O 0.50000000000000 0.24687489438384 0.78214697235980 15.999 > 21 57 O 0.00000000000000 0.75312510561616 0.21785302764020 15.999 > 25 58 O 0.50000000000000 0.75312510561616 0.21785302764020 15.999 > 25 59 O 0.00000000000000 0.75312510561616 0.71785302764020 15.999 > 25 60 O 0.50000000000000 0.75312510561616 0.71785302764020 15.999 > 25 61 O 0.00000000000000 0.24687489438384 0.46785302764020 15.999 > 29 62 O 0.50000000000000 0.24687489438384 0.46785302764020 15.999 > 29 63 O 0.00000000000000 0.24687489438384 0.96785302764020 15.999 > 29 64 O 0.50000000000000 0.24687489438384 0.96785302764020 15.999 > 29 65 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 65 67 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 65 68 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 65 69 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 69 71 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 69 72 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 69 73 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 74 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 65 75 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 65 76 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 65 77 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 69 78 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 69 79 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 69 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 69 81 P 0.25000000000000 0.63895365877293 0.37500000000000 30.974 > 81 82 P 0.75000000000000 0.63895365877293 0.37500000000000 30.974 > 81 83 P 0.25000000000000 0.63895365877293 0.87500000000000 30.974 > 81 84 P 0.75000000000000 0.63895365877293 0.87500000000000 30.974 > 81 85 P 0.25000000000000 0.36104634122707 0.12500000000000 30.974 > 85 86 P 0.75000000000000 0.36104634122707 0.12500000000000 30.974 > 85 87 P 0.25000000000000 0.36104634122707 0.62500000000000 30.974 > 85 88 P 0.75000000000000 0.36104634122707 0.62500000000000 30.974 > 85 89 P 0.00000000000000 0.13895365877293 0.37500000000000 30.974 > 81 90 P 0.50000000000000 0.13895365877293 0.37500000000000 30.974 > 81 91 P 0.00000000000000 0.13895365877293 0.87500000000000 30.974 > 81 92 P 0.50000000000000 0.13895365877293 0.87500000000000 30.974 > 81 93 P 0.00000000000000 0.86104634122707 0.12500000000000 30.974 > 85 94 P 0.50000000000000 0.86104634122707 0.12500000000000 30.974 > 85 95 P 0.00000000000000 0.86104634122707 0.62500000000000 30.974 > 85 96 P 0.50000000000000 0.86104634122707 0.62500000000000 30.974 > 85 97 Hg 0.25000000000000 0.30921829703427 0.37500000000000 200.590 > 97 98 Hg 0.75000000000000 0.30921829703427 0.37500000000000 200.590 > 97 99 Hg 0.25000000000000 0.30921829703427 0.87500000000000 200.590 > 97 100 Hg 0.75000000000000 0.30921829703427 0.87500000000000 200.590 > 97 101 Hg 0.25000000000000 0.69078170296573 0.12500000000000 200.590 > 101 102 Hg 0.75000000000000 0.69078170296573 0.12500000000000 200.590 > 101 103 Hg 0.25000000000000 0.69078170296573 0.62500000000000 200.590 > 101 104 Hg 0.75000000000000 0.69078170296573 0.62500000000000 200.590 > 101 105 Hg 0.00000000000000 0.80921829703427 0.37500000000000 200.590 > 97 106 Hg 0.50000000000000 0.80921829703427 0.37500000000000 200.590 > 97 107 Hg 0.00000000000000 0.80921829703427 0.87500000000000 200.590 > 97 108 Hg 0.50000000000000 0.80921829703427 0.87500000000000 200.590 > 97 109 Hg 0.00000000000000 0.19078170296573 0.12500000000000 200.590 > 101 110 Hg 0.50000000000000 0.19078170296573 0.12500000000000 200.590 > 101 111 Hg 0.00000000000000 0.19078170296573 0.62500000000000 200.590 > 101 112 Hg 0.50000000000000 0.19078170296573 0.62500000000000 200.590 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1056026 0.0000000 0.0000000 0.0000000 3.5267132 0.0000000 0.0000000 0.0000000 4.4043293 -------------------------- Born effective charges -------------------------- 1 O -1.8150099 0.0193613 0.0000000 0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 2 O -1.8150099 0.0193613 0.0000000 0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 3 O -1.8150099 -0.0193613 0.0000000 -0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 4 O -1.8150099 -0.0193613 0.0000000 -0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 5 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 -0.3487026 0.0000000 -0.8853380 -2.9563991 6 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 0.3487026 0.0000000 0.8853380 -2.9563991 7 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 0.3487026 0.0000000 0.8853380 -2.9563991 8 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 -0.3487026 0.0000000 -0.8853380 -2.9563991 9 Na 1.2765029 0.0000000 0.0000000 0.0000000 1.2644397 -0.0390710 0.0000000 -0.0326458 1.0304631 10 Na 1.2765029 0.0000000 0.0000000 0.0000000 1.2644397 0.0390710 0.0000000 0.0326458 1.0304631 11 P 2.6118430 0.0000000 0.0000000 0.0000000 2.9168208 0.0000000 0.0000000 0.0000000 4.2940106 12 P 2.6118430 0.0000000 0.0000000 0.0000000 2.9168208 0.0000000 0.0000000 0.0000000 4.2940106 13 Hg 1.8041642 0.0000000 0.0000000 0.0000000 2.4866438 0.0000000 0.0000000 0.0000000 2.9696498 14 Hg 1.8041642 0.0000000 0.0000000 0.0000000 2.4866438 0.0000000 0.0000000 0.0000000 2.9696498 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (zxz) 0.00000006 (zxz) 0.00000006 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 2026-01-07 22:44:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:44:17]------------------------- 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: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.936056155000000 -4.696064740000000 0.000000000000000 b 2.936056155000000 4.696064740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.472033320000000 Atomic positions (fractional): 1 O 0.83001070233288 0.73902624721286 0.25000000000000 15.999 2 O 0.16998929766711 0.26097375278713 0.75000000000000 15.999 3 O 0.73902624721286 0.83001070233288 0.75000000000000 15.999 4 O 0.26097375278713 0.16998929766711 0.25000000000000 15.999 5 O 0.24687489438384 0.75312510561616 0.06429394471960 15.999 6 O 0.75312510561616 0.24687489438384 0.56429394471960 15.999 7 O 0.24687489438384 0.75312510561616 0.43570605528040 15.999 8 O 0.75312510561616 0.24687489438384 0.93570605528040 15.999 9 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 11 P 0.86104634122707 0.13895365877293 0.75000000000000 30.974 12 P 0.13895365877293 0.86104634122707 0.25000000000000 30.974 13 Hg 0.19078170296573 0.80921829703427 0.75000000000000 200.590 14 Hg 0.80921829703427 0.19078170296573 0.25000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.744224620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.392129479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.944066640000001 Atomic positions (fractional): 1 O 0.39225923738644 0.95450777243999 0.12500000000000 15.999 > 1 2 O 0.89225923738644 0.95450777243999 0.12500000000000 15.999 > 1 3 O 0.39225923738644 0.95450777243999 0.62500000000000 15.999 > 1 4 O 0.89225923738644 0.95450777243999 0.62500000000000 15.999 > 1 5 O 0.10774076261356 0.04549222756001 0.37500000000000 15.999 > 5 6 O 0.60774076261356 0.04549222756001 0.37500000000000 15.999 > 5 7 O 0.10774076261356 0.04549222756001 0.87500000000000 15.999 > 5 8 O 0.60774076261356 0.04549222756001 0.87500000000000 15.999 > 5 9 O 0.39225923738644 0.04549222756001 0.37500000000000 15.999 > 9 10 O 0.89225923738644 0.04549222756001 0.37500000000000 15.999 > 9 11 O 0.39225923738644 0.04549222756001 0.87500000000000 15.999 > 9 12 O 0.89225923738644 0.04549222756001 0.87500000000000 15.999 > 9 13 O 0.10774076261356 0.95450777243999 0.12500000000000 15.999 > 13 14 O 0.60774076261356 0.95450777243999 0.12500000000000 15.999 > 13 15 O 0.10774076261356 0.95450777243999 0.62500000000000 15.999 > 13 16 O 0.60774076261356 0.95450777243999 0.62500000000000 15.999 > 13 17 O 0.25000000000000 0.25312510561616 0.03214697235980 15.999 > 17 18 O 0.75000000000000 0.25312510561616 0.03214697235980 15.999 > 17 19 O 0.25000000000000 0.25312510561616 0.53214697235980 15.999 > 17 20 O 0.75000000000000 0.25312510561616 0.53214697235980 15.999 > 17 21 O 0.25000000000000 0.74687489438384 0.28214697235980 15.999 > 21 22 O 0.75000000000000 0.74687489438384 0.28214697235980 15.999 > 21 23 O 0.25000000000000 0.74687489438384 0.78214697235980 15.999 > 21 24 O 0.75000000000000 0.74687489438384 0.78214697235980 15.999 > 21 25 O 0.25000000000000 0.25312510561616 0.21785302764020 15.999 > 25 26 O 0.75000000000000 0.25312510561616 0.21785302764020 15.999 > 25 27 O 0.25000000000000 0.25312510561616 0.71785302764020 15.999 > 25 28 O 0.75000000000000 0.25312510561616 0.71785302764020 15.999 > 25 29 O 0.25000000000000 0.74687489438384 0.46785302764020 15.999 > 29 30 O 0.75000000000000 0.74687489438384 0.46785302764020 15.999 > 29 31 O 0.25000000000000 0.74687489438384 0.96785302764020 15.999 > 29 32 O 0.75000000000000 0.74687489438384 0.96785302764020 15.999 > 29 33 O 0.14225923738644 0.45450777243999 0.12500000000000 15.999 > 1 34 O 0.64225923738644 0.45450777243999 0.12500000000000 15.999 > 1 35 O 0.14225923738644 0.45450777243999 0.62500000000000 15.999 > 1 36 O 0.64225923738644 0.45450777243999 0.62500000000000 15.999 > 1 37 O 0.35774076261356 0.54549222756001 0.37500000000000 15.999 > 5 38 O 0.85774076261356 0.54549222756001 0.37500000000000 15.999 > 5 39 O 0.35774076261356 0.54549222756001 0.87500000000000 15.999 > 5 40 O 0.85774076261356 0.54549222756001 0.87500000000000 15.999 > 5 41 O 0.14225923738644 0.54549222756001 0.37500000000000 15.999 > 9 42 O 0.64225923738644 0.54549222756001 0.37500000000000 15.999 > 9 43 O 0.14225923738644 0.54549222756001 0.87500000000000 15.999 > 9 44 O 0.64225923738644 0.54549222756001 0.87500000000000 15.999 > 9 45 O 0.35774076261356 0.45450777243999 0.12500000000000 15.999 > 13 46 O 0.85774076261356 0.45450777243999 0.12500000000000 15.999 > 13 47 O 0.35774076261356 0.45450777243999 0.62500000000000 15.999 > 13 48 O 0.85774076261356 0.45450777243999 0.62500000000000 15.999 > 13 49 O 0.00000000000000 0.75312510561616 0.03214697235980 15.999 > 17 50 O 0.50000000000000 0.75312510561616 0.03214697235980 15.999 > 17 51 O 0.00000000000000 0.75312510561616 0.53214697235980 15.999 > 17 52 O 0.50000000000000 0.75312510561616 0.53214697235980 15.999 > 17 53 O 0.00000000000000 0.24687489438384 0.28214697235980 15.999 > 21 54 O 0.50000000000000 0.24687489438384 0.28214697235980 15.999 > 21 55 O 0.00000000000000 0.24687489438384 0.78214697235980 15.999 > 21 56 O 0.50000000000000 0.24687489438384 0.78214697235980 15.999 > 21 57 O 0.00000000000000 0.75312510561616 0.21785302764020 15.999 > 25 58 O 0.50000000000000 0.75312510561616 0.21785302764020 15.999 > 25 59 O 0.00000000000000 0.75312510561616 0.71785302764020 15.999 > 25 60 O 0.50000000000000 0.75312510561616 0.71785302764020 15.999 > 25 61 O 0.00000000000000 0.24687489438384 0.46785302764020 15.999 > 29 62 O 0.50000000000000 0.24687489438384 0.46785302764020 15.999 > 29 63 O 0.00000000000000 0.24687489438384 0.96785302764020 15.999 > 29 64 O 0.50000000000000 0.24687489438384 0.96785302764020 15.999 > 29 65 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 65 67 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 65 68 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 65 69 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 69 71 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 69 72 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 69 73 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 74 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 65 75 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 65 76 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 65 77 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 69 78 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 69 79 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 69 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 69 81 P 0.25000000000000 0.63895365877293 0.37500000000000 30.974 > 81 82 P 0.75000000000000 0.63895365877293 0.37500000000000 30.974 > 81 83 P 0.25000000000000 0.63895365877293 0.87500000000000 30.974 > 81 84 P 0.75000000000000 0.63895365877293 0.87500000000000 30.974 > 81 85 P 0.25000000000000 0.36104634122707 0.12500000000000 30.974 > 85 86 P 0.75000000000000 0.36104634122707 0.12500000000000 30.974 > 85 87 P 0.25000000000000 0.36104634122707 0.62500000000000 30.974 > 85 88 P 0.75000000000000 0.36104634122707 0.62500000000000 30.974 > 85 89 P 0.00000000000000 0.13895365877293 0.37500000000000 30.974 > 81 90 P 0.50000000000000 0.13895365877293 0.37500000000000 30.974 > 81 91 P 0.00000000000000 0.13895365877293 0.87500000000000 30.974 > 81 92 P 0.50000000000000 0.13895365877293 0.87500000000000 30.974 > 81 93 P 0.00000000000000 0.86104634122707 0.12500000000000 30.974 > 85 94 P 0.50000000000000 0.86104634122707 0.12500000000000 30.974 > 85 95 P 0.00000000000000 0.86104634122707 0.62500000000000 30.974 > 85 96 P 0.50000000000000 0.86104634122707 0.62500000000000 30.974 > 85 97 Hg 0.25000000000000 0.30921829703427 0.37500000000000 200.590 > 97 98 Hg 0.75000000000000 0.30921829703427 0.37500000000000 200.590 > 97 99 Hg 0.25000000000000 0.30921829703427 0.87500000000000 200.590 > 97 100 Hg 0.75000000000000 0.30921829703427 0.87500000000000 200.590 > 97 101 Hg 0.25000000000000 0.69078170296573 0.12500000000000 200.590 > 101 102 Hg 0.75000000000000 0.69078170296573 0.12500000000000 200.590 > 101 103 Hg 0.25000000000000 0.69078170296573 0.62500000000000 200.590 > 101 104 Hg 0.75000000000000 0.69078170296573 0.62500000000000 200.590 > 101 105 Hg 0.00000000000000 0.80921829703427 0.37500000000000 200.590 > 97 106 Hg 0.50000000000000 0.80921829703427 0.37500000000000 200.590 > 97 107 Hg 0.00000000000000 0.80921829703427 0.87500000000000 200.590 > 97 108 Hg 0.50000000000000 0.80921829703427 0.87500000000000 200.590 > 97 109 Hg 0.00000000000000 0.19078170296573 0.12500000000000 200.590 > 101 110 Hg 0.50000000000000 0.19078170296573 0.12500000000000 200.590 > 101 111 Hg 0.00000000000000 0.19078170296573 0.62500000000000 200.590 > 101 112 Hg 0.50000000000000 0.19078170296573 0.62500000000000 200.590 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1056026 0.0000000 0.0000000 0.0000000 3.5267132 0.0000000 0.0000000 0.0000000 4.4043293 -------------------------- Born effective charges -------------------------- 1 O -1.8150099 0.0193613 0.0000000 0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 2 O -1.8150099 0.0193613 0.0000000 0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 3 O -1.8150099 -0.0193613 0.0000000 -0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 4 O -1.8150099 -0.0193613 0.0000000 -0.2025217 -1.9234740 0.0000000 0.0000000 0.0000000 -1.1906626 5 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 -0.3487026 0.0000000 -0.8853380 -2.9563991 6 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 0.3487026 0.0000000 0.8853380 -2.9563991 7 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 0.3487026 0.0000000 0.8853380 -2.9563991 8 O -1.0312452 0.0000000 0.0000000 0.0000000 -1.4104781 -0.3487026 0.0000000 -0.8853380 -2.9563991 9 Na 1.2765029 0.0000000 0.0000000 0.0000000 1.2644397 -0.0390710 0.0000000 -0.0326458 1.0304631 10 Na 1.2765029 0.0000000 0.0000000 0.0000000 1.2644397 0.0390710 0.0000000 0.0326458 1.0304631 11 P 2.6118430 0.0000000 0.0000000 0.0000000 2.9168208 0.0000000 0.0000000 0.0000000 4.2940106 12 P 2.6118430 0.0000000 0.0000000 0.0000000 2.9168208 0.0000000 0.0000000 0.0000000 4.2940106 13 Hg 1.8041642 0.0000000 0.0000000 0.0000000 2.4866438 0.0000000 0.0000000 0.0000000 2.9696498 14 Hg 1.8041642 0.0000000 0.0000000 0.0000000 2.4866438 0.0000000 0.0000000 0.0000000 2.9696498 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (zxz) 0.00000006 (zxz) 0.00000006 (zzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 8 ] 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: 0.74, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 155 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 1.164 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 6.307 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 10.683 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 14.485 ( 0.000 0.000 0.000) 0.000 15.292 ( 0.000 0.000 0.000) 0.000 15.766 ( 0.000 0.000 0.000) 0.000 17.074 ( 0.000 0.000 0.000) 0.000 17.490 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 27.211 ( 0.000 0.000 0.000) 0.000 27.230 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 29.720 ( 0.000 0.000 0.000) 0.000 30.342 ( 0.000 0.000 0.000) 0.000 30.771 ( 0.000 0.000 0.000) 0.000 30.934 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 16.156 -10.211 0.000) 19.112 0.465 ( 12.857 -21.046 0.000) 24.663 0.725 ( 30.315 -12.028 0.000) 32.614 1.144 ( -0.972 1.912 0.000) 2.145 1.352 ( 0.263 -0.684 0.000) 0.733 1.834 ( -0.554 1.186 0.000) 1.309 2.645 ( 31.193 28.571 0.000) 42.300 2.731 ( 1.394 -3.895 0.000) 4.137 3.185 ( 9.988 -1.191 0.000) 10.059 3.716 ( 6.001 -6.864 0.000) 9.117 3.815 ( 9.514 3.341 0.000) 10.083 3.938 ( -13.215 -31.441 0.000) 34.105 4.798 ( -8.658 5.280 0.000) 10.141 5.262 ( -5.131 -1.895 0.000) 5.470 5.305 ( 2.457 6.380 0.000) 6.837 5.385 ( -1.567 4.570 0.000) 4.832 5.554 ( -12.189 -7.216 0.000) 14.165 5.913 ( -9.338 -21.113 0.000) 23.086 6.359 ( 6.058 4.328 0.000) 7.445 6.506 ( 1.115 -5.552 0.000) 5.663 7.188 ( 10.230 14.652 0.000) 17.870 8.082 ( -7.540 6.130 0.000) 9.717 10.658 ( 1.890 6.827 0.000) 7.084 10.916 ( -1.297 -6.352 0.000) 6.483 12.274 ( 0.491 0.493 0.000) 0.695 12.344 ( 0.572 0.585 0.000) 0.818 12.419 ( -0.346 -0.567 0.000) 0.664 13.465 ( -4.490 -6.874 0.000) 8.211 14.497 ( 1.294 0.036 0.000) 1.295 14.704 ( 14.598 19.918 0.000) 24.694 15.292 ( -0.003 -0.015 0.000) 0.015 15.763 ( -0.431 -0.114 0.000) 0.445 17.308 ( -18.216 -26.197 0.000) 31.908 17.510 ( -0.462 -4.062 0.000) 4.088 26.607 ( 1.572 -0.268 0.000) 1.595 27.204 ( -0.097 1.124 0.000) 1.128 27.233 ( -0.350 -1.021 0.000) 1.080 27.316 ( -2.248 0.443 0.000) 2.291 29.717 ( -1.625 -2.053 0.000) 2.618 30.346 ( -0.308 -1.373 0.000) 1.407 30.875 ( 5.170 9.077 0.000) 10.446 32.239 ( -4.839 -6.608 0.000) 8.190 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 11.469 -7.424 0.000) 13.662 0.865 ( 10.839 -15.371 0.000) 18.809 1.097 ( -0.985 3.344 0.000) 3.486 1.217 ( 13.182 -7.448 0.000) 15.140 1.389 ( 3.214 -3.506 0.000) 4.756 1.808 ( -0.841 1.335 0.000) 1.578 2.811 ( 1.835 -4.872 0.000) 5.206 2.978 ( 29.873 9.219 0.000) 31.263 3.430 ( 16.291 -1.657 0.000) 16.375 3.956 ( 13.459 -6.666 0.000) 15.019 3.999 ( 16.586 4.532 0.000) 17.194 4.110 ( 3.940 -15.585 0.000) 16.075 4.540 ( -12.120 7.150 0.000) 14.072 5.163 ( -9.069 -2.664 0.000) 9.453 5.246 ( -0.161 8.669 0.000) 8.671 5.298 ( -2.009 5.114 0.000) 5.494 5.435 ( -11.949 -10.199 0.000) 15.710 5.989 ( -3.399 -12.886 0.000) 13.327 6.374 ( 1.602 4.404 0.000) 4.687 6.615 ( 3.399 -5.318 0.000) 6.311 7.207 ( 6.232 8.995 0.000) 10.943 7.805 ( -16.762 5.973 0.000) 17.795 10.617 ( 2.786 7.893 0.000) 8.370 10.965 ( -1.691 -7.189 0.000) 7.385 12.279 ( 0.799 0.662 0.000) 1.037 12.349 ( 0.939 0.954 0.000) 1.338 12.419 ( -0.558 -0.954 0.000) 1.106 13.460 ( -2.257 -2.859 0.000) 3.642 14.524 ( 1.957 0.217 0.000) 1.969 14.756 ( 7.368 5.843 0.000) 9.403 15.292 ( -0.008 -0.018 0.000) 0.020 15.754 ( -0.697 -0.184 0.000) 0.721 17.272 ( -8.324 -9.865 0.000) 12.908 17.552 ( -0.162 -4.326 0.000) 4.329 26.652 ( 3.086 -0.533 0.000) 3.132 27.186 ( -0.432 1.294 0.000) 1.364 27.239 ( -0.237 -1.022 0.000) 1.049 27.254 ( -4.169 0.807 0.000) 4.247 29.708 ( -2.799 -3.257 0.000) 4.294 30.364 ( -0.302 -2.982 0.000) 2.997 30.861 ( 3.470 7.602 0.000) 8.357 32.222 ( -1.706 -0.852 0.000) 1.907 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 5.886 -4.928 0.000) 7.677 1.048 ( 0.069 3.999 0.000) 4.000 1.150 ( 8.129 -7.758 0.000) 11.237 1.345 ( 1.272 -2.043 0.000) 2.406 1.555 ( 4.804 -8.498 0.000) 9.761 1.777 ( -1.158 1.466 0.000) 1.868 2.873 ( 0.709 -1.652 0.000) 1.798 3.362 ( 20.332 3.171 0.000) 20.577 3.756 ( 18.966 -1.269 0.000) 19.008 4.191 ( 1.926 5.840 0.000) 6.150 4.313 ( 21.098 -2.163 0.000) 21.208 4.365 ( 7.581 0.513 0.000) 7.598 4.389 ( 10.403 -14.438 0.000) 17.796 5.026 ( -8.275 -0.818 0.000) 8.316 5.130 ( -2.977 6.895 0.000) 7.511 5.220 ( -3.211 0.538 0.000) 3.256 5.353 ( -9.147 -6.757 0.000) 11.372 6.060 ( -1.669 -8.215 0.000) 8.383 6.332 ( -1.715 2.844 0.000) 3.321 6.708 ( 2.282 -2.927 0.000) 3.711 7.155 ( -4.153 11.662 0.000) 12.380 7.449 ( -14.734 2.243 0.000) 14.904 10.590 ( 2.806 6.233 0.000) 6.836 11.006 ( -1.553 -5.608 0.000) 5.819 12.287 ( 0.854 0.472 0.000) 0.975 12.355 ( 0.948 0.958 0.000) 1.348 12.420 ( -0.551 -0.995 0.000) 1.137 13.450 ( -1.493 -1.273 0.000) 1.962 14.555 ( 1.805 0.268 0.000) 1.825 14.823 ( 4.629 1.153 0.000) 4.771 15.292 ( -0.012 -0.010 0.000) 0.015 15.744 ( -0.698 -0.184 0.000) 0.721 17.239 ( -4.677 -4.736 0.000) 6.656 17.592 ( 0.095 -3.206 0.000) 3.207 26.723 ( 4.448 -0.780 0.000) 4.516 27.160 ( -5.520 1.044 0.000) 5.618 27.164 ( -0.537 1.074 0.000) 1.201 27.246 ( -0.117 -0.753 0.000) 0.763 29.692 ( -2.971 -3.143 0.000) 4.325 30.400 ( -0.107 -4.435 0.000) 4.437 30.831 ( 2.503 7.433 0.000) 7.844 32.201 ( -0.579 1.005 0.000) 1.160 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.363 1.400 0.000) 1.446 1.070 ( 2.883 -1.189 0.000) 3.119 1.315 ( 4.897 -2.776 0.000) 5.630 1.373 ( 0.363 -1.026 0.000) 1.088 1.685 ( 0.332 -6.609 0.000) 6.618 1.742 ( -0.277 1.709 0.000) 1.731 2.869 ( -0.733 1.324 0.000) 1.514 3.587 ( 9.397 1.289 0.000) 9.485 4.045 ( 12.922 -0.265 0.000) 12.925 4.084 ( -3.563 1.820 0.000) 4.001 4.578 ( 6.446 -2.960 0.000) 7.093 4.633 ( 13.900 -4.192 0.000) 14.519 4.729 ( 8.394 -5.120 0.000) 9.832 4.961 ( 2.527 2.794 0.000) 3.768 5.025 ( 1.719 9.452 0.000) 9.607 5.248 ( -10.969 -5.371 0.000) 12.214 5.248 ( 6.337 -9.557 0.000) 11.467 6.101 ( -0.995 -3.220 0.000) 3.371 6.269 ( -2.514 1.410 0.000) 2.883 6.757 ( 0.993 -1.159 0.000) 1.526 6.759 ( -21.217 11.313 0.000) 24.045 7.346 ( -0.625 0.432 0.000) 0.760 10.578 ( 1.792 3.371 0.000) 3.818 11.030 ( -0.944 -3.022 0.000) 3.166 12.297 ( 0.581 0.183 0.000) 0.609 12.360 ( 0.586 0.590 0.000) 0.832 12.421 ( -0.333 -0.631 0.000) 0.714 13.438 ( -0.840 -0.438 0.000) 0.948 14.577 ( 1.053 0.154 0.000) 1.064 14.879 ( 2.396 -0.131 0.000) 2.400 15.292 ( -0.009 -0.002 0.000) 0.009 15.736 ( -0.432 -0.114 0.000) 0.446 17.216 ( -2.215 -2.047 0.000) 3.016 17.620 ( 0.123 -1.676 0.000) 1.681 26.818 ( 5.519 -0.984 0.000) 5.606 27.048 ( -6.176 1.142 0.000) 6.281 27.147 ( -0.352 0.609 0.000) 0.703 27.251 ( -0.048 -0.391 0.000) 0.394 29.676 ( -1.903 -1.876 0.000) 2.672 30.448 ( -0.008 -4.109 0.000) 4.109 30.792 ( 1.352 5.570 0.000) 5.732 32.184 ( -0.134 1.005 0.000) 1.014 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.000 0.000 0.000) 0.000 1.101 ( 0.000 -0.000 0.000) 0.000 1.368 ( -0.000 -0.000 0.000) 0.000 1.387 ( 0.000 -0.000 0.000) 0.000 1.699 ( 0.000 -0.000 0.000) 0.000 1.750 ( 0.000 -0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 -0.000 0.000) 0.000 4.048 ( 0.000 -0.000 0.000) 0.000 4.167 ( 0.000 -0.000 0.000) 0.000 4.614 ( -0.000 -0.000 0.000) 0.000 4.802 ( 0.000 -0.000 0.000) 0.000 4.833 ( 0.000 -0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 -0.000 0.000) 0.000 5.139 ( 0.000 -0.000 0.000) 0.000 5.492 ( 0.000 -0.000 0.000) 0.000 6.093 ( 0.000 -0.000 0.000) 0.000 6.236 ( 0.000 -0.000 0.000) 0.000 6.442 ( 0.000 -0.000 0.000) 0.000 6.771 ( 0.000 -0.000 0.000) 0.000 7.342 ( 0.000 -0.000 0.000) 0.000 10.576 ( 0.000 -0.000 0.000) 0.000 11.038 ( 0.000 -0.000 0.000) 0.000 12.301 ( 0.000 -0.000 0.000) 0.000 12.362 ( 0.000 -0.000 0.000) 0.000 12.422 ( 0.000 -0.000 0.000) 0.000 13.433 ( 0.000 -0.000 0.000) 0.000 14.586 ( 0.000 -0.000 0.000) 0.000 14.901 ( 0.000 -0.000 0.000) 0.000 15.292 ( 0.000 -0.000 0.000) 0.000 15.733 ( 0.000 -0.000 0.000) 0.000 17.208 ( 0.000 -0.000 0.000) 0.000 17.631 ( 0.000 -0.000 0.000) 0.000 26.924 ( -0.000 0.000 0.000) 0.000 26.935 ( 0.000 -0.000 0.000) 0.000 27.141 ( 0.000 -0.000 0.000) 0.000 27.253 ( 0.000 -0.000 0.000) 0.000 29.670 ( 0.000 -0.000 0.000) 0.000 30.473 ( 0.000 -0.000 0.000) 0.000 30.771 ( 0.000 -0.000 0.000) 0.000 32.177 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 16.877 0.000 0.000) 16.877 0.657 ( 15.363 0.000 0.000) 15.363 1.136 ( -0.975 -0.000 0.000) 0.975 1.165 ( 21.751 0.000 0.000) 21.751 1.347 ( -0.080 -0.000 0.000) 0.080 1.846 ( 0.296 0.000 0.000) 0.296 2.752 ( 3.221 0.000 0.000) 3.221 3.331 ( 26.181 0.000 0.000) 26.181 3.343 ( 10.714 0.000 0.000) 10.714 3.605 ( 11.061 0.000 0.000) 11.061 3.989 ( 16.242 0.000 0.000) 16.242 4.052 ( 15.788 0.000 0.000) 15.788 4.643 ( -12.652 -0.000 0.000) 12.652 5.133 ( -8.513 -0.000 0.000) 8.513 5.256 ( -16.163 -0.000 0.000) 16.163 5.389 ( 2.899 0.000 0.000) 2.899 5.441 ( 0.857 0.000 0.000) 0.857 5.756 ( -0.327 -0.000 0.000) 0.327 6.447 ( -2.086 -0.000 0.000) 2.086 6.527 ( 7.428 0.000 0.000) 7.428 7.316 ( 1.982 0.000 0.000) 1.982 7.879 ( -18.658 -0.000 0.000) 18.658 10.757 ( 4.149 0.000 0.000) 4.149 10.833 ( -3.200 -0.000 0.000) 3.200 12.304 ( 1.531 0.000 0.000) 1.531 12.362 ( 1.065 0.000 0.000) 1.065 12.406 ( -0.710 -0.000 0.000) 0.710 13.419 ( 0.229 0.000 0.000) 0.229 14.527 ( 2.253 0.000 0.000) 2.253 14.862 ( -0.786 -0.000 0.000) 0.786 15.292 ( 0.084 0.000 0.000) 0.084 15.752 ( -0.756 -0.000 0.000) 0.756 17.076 ( 0.328 0.000 0.000) 0.328 17.509 ( 1.051 0.000 0.000) 1.051 26.646 ( 3.067 0.000 0.000) 3.067 27.213 ( -0.911 -0.000 0.000) 0.911 27.215 ( 0.231 0.000 0.000) 0.231 27.262 ( -4.191 -0.000 0.000) 4.191 29.676 ( -2.038 -0.000 0.000) 2.038 30.328 ( -0.432 -0.000 0.000) 0.432 30.984 ( 2.376 0.000 0.000) 2.376 32.173 ( -0.604 -0.000 0.000) 0.604 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 8.529 -2.176 0.000) 8.802 0.929 ( 13.693 -8.882 0.000) 16.322 1.116 ( -0.060 1.879 0.000) 1.880 1.335 ( 1.343 1.186 0.000) 1.792 1.439 ( 7.184 -3.327 0.000) 7.917 1.840 ( 0.994 3.000 0.000) 3.160 2.824 ( 3.236 -1.815 0.000) 3.710 3.471 ( 13.235 5.960 0.000) 14.515 3.766 ( 22.485 3.551 0.000) 22.764 4.004 ( 20.530 -17.471 0.000) 26.958 4.302 ( 18.941 -0.761 0.000) 18.956 4.324 ( 13.914 3.549 0.000) 14.360 4.399 ( -9.122 3.108 0.000) 9.637 4.986 ( -8.840 -1.606 0.000) 8.985 5.037 ( -13.093 -7.075 0.000) 14.882 5.382 ( 0.448 11.139 0.000) 11.148 5.406 ( 1.577 4.407 0.000) 4.681 5.826 ( -0.787 -11.912 0.000) 11.938 6.386 ( -3.367 1.778 0.000) 3.808 6.641 ( 3.724 -2.484 0.000) 4.477 7.325 ( 0.301 3.952 0.000) 3.964 7.491 ( -23.793 1.416 0.000) 23.835 10.723 ( -0.892 5.924 0.000) 5.990 10.882 ( 1.882 -5.667 0.000) 5.972 12.320 ( 1.620 1.721 0.000) 2.363 12.375 ( 0.838 0.925 0.000) 1.248 12.399 ( -0.484 -0.947 0.000) 1.064 13.428 ( 0.074 -0.652 0.000) 0.656 14.566 ( 2.521 0.568 0.000) 2.585 14.842 ( 0.037 0.584 0.000) 0.585 15.294 ( 0.225 0.133 0.000) 0.262 15.739 ( -0.855 -0.210 0.000) 0.880 17.116 ( -0.348 -4.901 0.000) 4.913 17.538 ( 1.343 -1.400 0.000) 1.940 26.711 ( 4.404 -0.297 0.000) 4.414 27.176 ( -5.572 0.408 0.000) 5.587 27.189 ( -0.880 1.063 0.000) 1.380 27.226 ( 0.095 -0.962 0.000) 0.967 29.650 ( -1.399 -0.882 0.000) 1.654 30.337 ( 0.572 -1.512 0.000) 1.617 30.989 ( 2.076 5.626 0.000) 5.996 32.167 ( -2.203 -2.624 0.000) 3.426 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 1.335 -1.875 0.000) 2.302 1.105 ( 1.915 2.439 0.000) 3.101 1.215 ( 9.408 -6.495 0.000) 11.432 1.347 ( 0.440 -0.841 0.000) 0.949 1.548 ( 1.746 -4.729 0.000) 5.041 1.820 ( 1.738 4.792 0.000) 5.098 2.869 ( -0.320 -0.923 0.000) 0.977 3.618 ( 7.445 1.167 0.000) 7.536 4.041 ( 11.727 0.056 0.000) 11.727 4.162 ( -6.168 5.071 0.000) 7.985 4.500 ( 16.190 -4.226 0.000) 16.732 4.561 ( 6.529 -3.036 0.000) 7.201 4.642 ( 18.606 -2.619 0.000) 18.790 4.942 ( 4.059 -6.410 0.000) 7.588 4.993 ( 0.421 -6.502 0.000) 6.515 5.249 ( -0.985 11.659 0.000) 11.701 5.336 ( -2.461 7.970 0.000) 8.341 5.946 ( 0.009 -11.146 0.000) 11.146 6.307 ( -3.047 1.939 0.000) 3.612 6.705 ( 0.534 -3.078 0.000) 3.124 6.956 ( -26.990 6.708 0.000) 27.811 7.351 ( -0.646 0.130 0.000) 0.659 10.646 ( -2.732 2.691 0.000) 3.835 10.970 ( 3.293 -2.401 0.000) 4.075 12.325 ( 1.428 2.105 0.000) 2.543 12.370 ( -0.472 0.294 0.000) 0.556 12.410 ( 0.693 -0.363 0.000) 0.783 13.434 ( 0.196 -0.065 0.000) 0.207 14.594 ( 1.755 1.283 0.000) 2.174 14.854 ( 0.085 -1.982 0.000) 1.984 15.297 ( 0.365 0.364 0.000) 0.515 15.729 ( -0.685 -0.438 0.000) 0.814 17.157 ( 0.250 -3.067 0.000) 3.077 17.579 ( 1.298 -1.801 0.000) 2.220 26.800 ( 5.457 -0.602 0.000) 5.490 27.068 ( -6.257 0.722 0.000) 6.299 27.163 ( -0.805 0.843 0.000) 1.166 27.237 ( 0.137 -0.772 0.000) 0.784 29.649 ( 0.353 -0.708 0.000) 0.791 30.380 ( 2.206 -2.124 0.000) 3.062 30.940 ( 0.286 7.274 0.000) 7.280 32.149 ( -3.645 -3.516 0.000) 5.064 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -2.266 -1.070 0.000) 2.506 1.124 ( 2.256 1.763 0.000) 2.863 1.350 ( 0.433 -1.725 0.000) 1.778 1.378 ( 2.838 -0.551 0.000) 2.891 1.630 ( 1.307 -6.244 0.000) 6.379 1.804 ( 2.882 5.213 0.000) 5.957 2.839 ( -3.351 -0.937 0.000) 3.480 3.672 ( -0.631 0.575 0.000) 0.854 4.073 ( -0.192 2.471 0.000) 2.478 4.137 ( -2.077 -2.234 0.000) 3.050 4.646 ( -2.517 -10.074 0.000) 10.384 4.673 ( 10.130 5.226 0.000) 11.398 4.823 ( 1.261 -0.437 0.000) 1.334 5.076 ( 2.555 11.326 0.000) 11.611 5.095 ( -5.829 3.635 0.000) 6.869 5.204 ( 8.359 5.660 0.000) 10.095 5.349 ( 14.316 -10.975 0.000) 18.038 6.053 ( 1.003 -6.167 0.000) 6.248 6.258 ( -0.034 1.985 0.000) 1.985 6.470 ( -18.384 3.165 0.000) 18.654 6.732 ( -1.200 -3.373 0.000) 3.580 7.339 ( -0.980 -0.284 0.000) 1.021 10.574 ( -4.128 -0.179 0.000) 4.132 11.042 ( 3.819 0.319 0.000) 3.833 12.325 ( 1.088 2.023 0.000) 2.297 12.358 ( -0.911 -0.326 0.000) 0.968 12.425 ( 0.902 0.239 0.000) 0.933 13.439 ( 0.815 0.492 0.000) 0.952 14.599 ( 0.549 1.274 0.000) 1.387 14.872 ( -1.190 -2.563 0.000) 2.826 15.299 ( 0.450 0.589 0.000) 0.741 15.725 ( -0.310 -0.591 0.000) 0.668 17.194 ( 1.677 -1.113 0.000) 2.013 17.616 ( 1.077 -1.181 0.000) 1.598 26.907 ( 5.952 -0.851 0.000) 6.012 26.952 ( -6.120 0.886 0.000) 6.184 27.145 ( -0.495 0.402 0.000) 0.638 27.247 ( 0.147 -0.495 0.000) 0.517 29.677 ( 2.761 0.587 0.000) 2.823 30.453 ( 3.903 -1.417 0.000) 4.152 30.848 ( -2.321 6.342 0.000) 6.754 32.122 ( -4.585 -4.778 0.000) 6.622 ======================= Grid point 16 (11/155) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -2.496 -2.422 0.000) 3.478 1.127 ( 0.779 3.046 0.000) 3.144 1.345 ( -2.316 -0.086 0.000) 2.318 1.387 ( -0.963 0.686 0.000) 1.182 1.715 ( 3.113 -2.137 0.000) 3.776 1.805 ( 3.059 5.171 0.000) 6.008 2.813 ( -1.820 -3.565 0.000) 4.003 3.578 ( -9.731 0.312 0.000) 9.736 4.043 ( -10.206 -0.631 0.000) 10.225 4.080 ( 3.041 1.182 0.000) 3.263 4.635 ( -13.071 2.799 0.000) 13.368 4.709 ( -6.615 -5.572 0.000) 8.649 4.806 ( -12.961 -0.090 0.000) 12.961 4.846 ( 8.887 5.907 0.000) 10.671 5.007 ( -1.306 7.583 0.000) 7.695 5.389 ( 14.267 5.297 0.000) 15.219 5.430 ( -5.545 5.265 0.000) 7.647 6.105 ( 2.377 -1.901 0.000) 3.043 6.261 ( 1.851 1.047 0.000) 2.127 6.497 ( 11.775 -12.663 0.000) 17.292 6.742 ( -1.276 -2.592 0.000) 2.890 7.332 ( 0.116 -0.803 0.000) 0.811 10.511 ( -5.064 -2.825 0.000) 5.798 11.092 ( 3.815 2.631 0.000) 4.634 12.319 ( 0.802 2.068 0.000) 2.218 12.346 ( -1.100 -0.686 0.000) 1.297 12.435 ( 0.841 0.632 0.000) 1.052 13.453 ( 1.827 0.960 0.000) 2.064 14.586 ( -0.639 0.960 0.000) 1.153 14.858 ( -3.477 -2.008 0.000) 4.015 15.299 ( 0.451 0.714 0.000) 0.845 15.730 ( 0.127 -0.607 0.000) 0.620 17.240 ( 3.274 0.361 0.000) 3.293 17.639 ( 0.890 0.027 0.000) 0.891 26.840 ( -5.607 1.000 0.000) 5.695 27.023 ( 6.093 -1.113 0.000) 6.194 27.139 ( -0.068 -0.141 0.000) 0.157 27.253 ( 0.159 -0.176 0.000) 0.237 29.727 ( 4.994 2.708 0.000) 5.681 30.529 ( 4.842 2.224 0.000) 5.329 30.739 ( -4.619 1.764 0.000) 4.944 32.101 ( -4.721 -6.470 0.000) 8.009 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -1.671 -3.822 0.000) 4.171 1.079 ( -1.202 5.468 0.000) 5.598 1.251 ( -6.454 3.027 0.000) 7.128 1.370 ( -0.662 0.148 0.000) 0.678 1.756 ( 0.397 6.248 0.000) 6.260 1.793 ( 4.375 4.056 0.000) 5.966 2.852 ( 1.075 -3.905 0.000) 4.050 3.333 ( -19.118 0.251 0.000) 19.119 3.801 ( -16.733 2.695 0.000) 16.949 4.139 ( 2.126 0.647 0.000) 2.222 4.320 ( -20.377 -0.743 0.000) 20.391 4.379 ( -16.879 2.477 0.000) 17.060 4.679 ( -10.466 13.171 0.000) 16.823 4.873 ( -1.145 -13.620 0.000) 13.668 5.057 ( 11.177 3.400 0.000) 11.683 5.330 ( 3.051 8.153 0.000) 8.705 5.552 ( 13.464 8.310 0.000) 15.822 6.160 ( 3.180 1.347 0.000) 3.453 6.282 ( 0.005 -1.324 0.000) 1.324 6.742 ( -0.594 -0.035 0.000) 0.595 6.853 ( 6.156 -16.068 0.000) 17.207 7.401 ( 8.098 -2.194 0.000) 8.390 10.466 ( -5.076 -5.233 0.000) 7.290 11.115 ( 3.332 4.557 0.000) 5.645 12.310 ( 0.886 2.296 0.000) 2.461 12.335 ( -1.123 -0.887 0.000) 1.432 12.440 ( 0.700 0.878 0.000) 1.123 13.481 ( 2.978 1.640 0.000) 3.400 14.558 ( -1.696 0.542 0.000) 1.781 14.794 ( -6.178 -1.501 0.000) 6.358 15.299 ( 0.369 0.703 0.000) 0.794 15.742 ( 0.455 -0.483 0.000) 0.664 17.299 ( 4.769 1.335 0.000) 4.952 17.647 ( 1.083 1.521 0.000) 1.867 26.742 ( -4.525 0.971 0.000) 4.628 27.135 ( 5.449 -1.245 0.000) 5.590 27.146 ( 0.293 -0.647 0.000) 0.710 27.256 ( 0.190 0.167 0.000) 0.253 29.782 ( 6.100 5.099 0.000) 7.951 30.526 ( 0.458 7.368 0.000) 7.383 30.700 ( -1.599 -4.919 0.000) 5.172 32.104 ( -3.786 -7.865 0.000) 8.729 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -4.731 6.322 0.000) 7.896 1.025 ( 0.533 -1.463 0.000) 1.557 1.064 ( -10.452 5.706 0.000) 11.908 1.354 ( -0.387 1.537 0.000) 1.585 1.608 ( -3.462 15.806 0.000) 16.181 1.833 ( 3.919 3.203 0.000) 5.062 2.901 ( 2.422 1.750 0.000) 2.988 2.909 ( -28.708 0.986 0.000) 28.725 3.474 ( -16.299 2.466 0.000) 16.484 3.915 ( -19.417 -1.344 0.000) 19.464 4.011 ( -15.383 0.698 0.000) 15.399 4.399 ( -5.389 11.870 0.000) 13.036 4.403 ( 9.441 -5.414 0.000) 10.883 4.990 ( -2.489 -13.643 0.000) 13.868 5.213 ( 10.051 1.813 0.000) 10.213 5.324 ( 4.605 6.440 0.000) 7.917 5.677 ( 13.112 10.438 0.000) 16.759 6.188 ( 4.855 5.645 0.000) 7.445 6.281 ( -3.393 -3.925 0.000) 5.188 6.713 ( -0.819 3.553 0.000) 3.646 6.977 ( -7.403 -12.181 0.000) 14.255 7.661 ( 13.782 -6.981 0.000) 15.449 10.454 ( -3.963 -7.217 0.000) 8.233 11.107 ( 2.440 6.094 0.000) 6.565 12.303 ( 1.414 2.576 0.000) 2.938 12.327 ( -0.940 -1.000 0.000) 1.372 12.441 ( 0.519 0.997 0.000) 1.124 13.520 ( 4.395 2.738 0.000) 5.178 14.517 ( -3.163 -0.445 0.000) 3.194 14.683 ( -8.505 -1.299 0.000) 8.603 15.297 ( 0.233 0.573 0.000) 0.618 15.755 ( 0.548 -0.273 0.000) 0.612 17.375 ( 5.771 1.489 0.000) 5.960 17.649 ( 2.536 3.268 0.000) 4.137 26.667 ( -3.137 0.863 0.000) 3.253 27.161 ( 0.413 -0.998 0.000) 1.080 27.231 ( 4.120 -1.258 0.000) 4.307 27.256 ( 0.239 0.504 0.000) 0.558 29.818 ( 5.382 6.910 0.000) 8.759 30.441 ( -2.299 4.008 0.000) 4.620 30.742 ( 0.392 -3.401 0.000) 3.423 32.141 ( -1.815 -8.137 0.000) 8.337 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -6.195 14.488 0.000) 15.757 0.751 ( -16.736 10.098 0.000) 19.547 1.076 ( 0.962 -3.925 0.000) 4.041 1.247 ( -3.772 24.966 0.000) 25.249 1.376 ( -2.678 3.726 0.000) 4.589 1.860 ( 3.650 3.433 0.000) 5.011 2.430 ( -24.571 -0.323 0.000) 24.574 2.876 ( 1.128 8.589 0.000) 8.663 3.223 ( -9.876 2.212 0.000) 10.120 3.687 ( -11.878 -7.791 0.000) 14.205 3.785 ( -8.805 2.555 0.000) 9.168 4.267 ( 2.080 7.136 0.000) 7.433 4.647 ( 9.183 -7.445 0.000) 11.822 5.080 ( -3.391 -13.372 0.000) 13.796 5.335 ( 3.488 4.877 0.000) 5.996 5.355 ( 7.510 0.275 0.000) 7.515 5.772 ( 11.028 11.301 0.000) 15.790 6.234 ( 11.250 8.781 0.000) 14.272 6.253 ( -5.446 -5.428 0.000) 7.689 6.640 ( -1.199 6.266 0.000) 6.380 6.910 ( -14.595 -10.435 0.000) 17.942 7.933 ( 7.449 -7.904 0.000) 10.861 10.486 ( -2.061 -8.392 0.000) 8.641 11.068 ( 1.269 7.125 0.000) 7.237 12.303 ( 1.849 2.737 0.000) 3.303 12.325 ( -0.541 -1.023 0.000) 1.158 12.437 ( 0.290 0.994 0.000) 1.035 13.577 ( 6.686 3.803 0.000) 7.691 14.439 ( -10.125 -3.724 0.000) 10.788 14.555 ( -5.041 1.116 0.000) 5.163 15.295 ( 0.091 0.371 0.000) 0.382 15.765 ( 0.373 -0.055 0.000) 0.377 17.454 ( 3.900 0.141 0.000) 3.903 17.686 ( 7.620 4.368 0.000) 8.783 26.618 ( -1.593 0.701 0.000) 1.740 27.178 ( 0.251 -1.146 0.000) 1.173 27.253 ( 0.252 0.766 0.000) 0.807 27.298 ( 2.226 -1.124 0.000) 2.494 29.815 ( 3.065 7.048 0.000) 7.686 30.375 ( -1.997 1.292 0.000) 2.379 30.773 ( -0.075 -1.659 0.000) 1.661 32.215 ( 0.844 -7.325 0.000) 7.374 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 17.097 0.000) 17.097 0.445 ( 0.000 19.818 0.000) 19.818 0.842 ( 0.000 37.043 0.000) 37.043 1.125 ( -0.000 -3.331 0.000) 3.331 1.351 ( 0.000 0.315 0.000) 0.315 1.876 ( 0.000 2.713 0.000) 2.713 2.157 ( 0.000 1.965 0.000) 1.965 2.786 ( 0.000 8.088 0.000) 8.088 3.112 ( 0.000 1.931 0.000) 1.931 3.673 ( -0.000 -7.233 0.000) 7.233 3.677 ( 0.000 2.836 0.000) 2.836 4.285 ( -0.000 -0.237 0.000) 0.237 4.812 ( -0.000 -6.991 0.000) 6.991 5.181 ( -0.000 -11.486 0.000) 11.486 5.325 ( 0.000 2.888 0.000) 2.888 5.432 ( 0.000 0.142 0.000) 0.142 5.765 ( 0.000 10.282 0.000) 10.282 6.248 ( -0.000 -4.780 0.000) 4.780 6.410 ( 0.000 1.264 0.000) 1.264 6.559 ( 0.000 6.400 0.000) 6.400 6.720 ( -0.000 -2.247 0.000) 2.247 8.064 ( -0.000 -5.591 0.000) 5.591 10.559 ( -0.000 -8.375 0.000) 8.375 11.001 ( 0.000 7.381 0.000) 7.381 12.298 ( 0.000 2.197 0.000) 2.197 12.331 ( -0.000 -0.902 0.000) 0.902 12.430 ( 0.000 0.862 0.000) 0.862 13.645 ( 0.000 1.449 0.000) 1.449 14.296 ( 0.000 0.021 0.000) 0.021 14.504 ( 0.000 1.682 0.000) 1.682 15.293 ( 0.000 0.160 0.000) 0.160 15.768 ( 0.000 0.092 0.000) 0.092 17.487 ( -0.000 -0.342 0.000) 0.342 17.793 ( -0.000 -1.230 0.000) 1.230 26.598 ( 0.000 0.501 0.000) 0.501 27.193 ( -0.000 -1.147 0.000) 1.147 27.247 ( 0.000 0.893 0.000) 0.893 27.328 ( -0.000 -0.841 0.000) 0.841 29.775 ( 0.000 5.189 0.000) 5.189 30.347 ( 0.000 0.445 0.000) 0.445 30.773 ( 0.000 0.187 0.000) 0.187 32.314 ( -0.000 -6.674 0.000) 6.674 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 2.507 0.000 0.000) 2.507 1.123 ( 13.254 0.000 0.000) 13.254 1.134 ( 1.047 0.000 0.000) 1.047 1.341 ( -0.101 -0.000 0.000) 0.101 1.498 ( 1.415 0.000 0.000) 1.415 1.885 ( 2.199 0.000 0.000) 2.199 2.854 ( 0.497 0.000 0.000) 0.497 3.630 ( 5.230 0.000 0.000) 5.230 4.044 ( 8.914 0.000 0.000) 8.914 4.239 ( -7.904 -0.000 0.000) 7.904 4.441 ( 33.055 0.000 0.000) 33.055 4.514 ( -0.363 -0.000 0.000) 0.363 4.617 ( 17.561 0.000 0.000) 17.561 4.859 ( -3.384 -0.000 0.000) 3.384 4.914 ( 7.313 0.000 0.000) 7.313 5.430 ( -2.477 -0.000 0.000) 2.477 5.490 ( 2.175 0.000 0.000) 2.175 5.724 ( -1.503 -0.000 0.000) 1.503 6.333 ( -2.941 -0.000 0.000) 2.941 6.663 ( 0.212 0.000 0.000) 0.212 7.029 ( -28.945 -0.000 0.000) 28.945 7.352 ( -0.468 -0.000 0.000) 0.468 10.678 ( -5.803 -0.000 0.000) 5.803 10.941 ( 6.264 0.000 0.000) 6.264 12.355 ( 1.303 0.000 0.000) 1.303 12.373 ( -1.225 -0.000 0.000) 1.225 12.407 ( 1.427 0.000 0.000) 1.427 13.433 ( 0.701 0.000 0.000) 0.701 14.614 ( 2.346 0.000 0.000) 2.346 14.823 ( -1.478 -0.000 0.000) 1.478 15.302 ( 0.520 0.000 0.000) 0.520 15.723 ( -0.793 -0.000 0.000) 0.793 17.117 ( 2.324 0.000 0.000) 2.324 17.558 ( 1.740 0.000 0.000) 1.740 26.794 ( 5.435 0.000 0.000) 5.435 27.076 ( -6.291 -0.000 0.000) 6.291 27.175 ( -1.194 -0.000 0.000) 1.194 27.226 ( 0.421 0.000 0.000) 0.421 29.642 ( 1.122 0.000 0.000) 1.122 30.358 ( 2.804 0.000 0.000) 2.804 31.035 ( -0.273 -0.000 0.000) 0.273 32.095 ( -4.547 -0.000 0.000) 4.547 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -2.238 -0.490 0.000) 2.291 1.157 ( 2.200 0.924 0.000) 2.386 1.308 ( 3.171 -1.551 0.000) 3.530 1.371 ( 6.084 -0.131 0.000) 6.086 1.508 ( -0.965 -3.662 0.000) 3.787 1.914 ( 3.484 3.546 0.000) 4.972 2.819 ( -4.798 -0.623 0.000) 4.838 3.672 ( -1.004 -0.329 0.000) 1.056 4.099 ( -2.686 -0.990 0.000) 2.863 4.145 ( -0.768 3.458 0.000) 3.542 4.454 ( -6.390 -6.506 0.000) 9.120 4.808 ( 10.763 2.479 0.000) 11.045 4.833 ( 7.836 6.020 0.000) 9.881 5.071 ( 20.949 -11.330 0.000) 23.816 5.145 ( 13.880 1.236 0.000) 13.935 5.307 ( -8.416 2.838 0.000) 8.882 5.412 ( 1.900 16.079 0.000) 16.191 5.815 ( 0.562 -14.512 0.000) 14.523 6.310 ( 1.600 2.123 0.000) 2.658 6.543 ( -24.268 2.395 0.000) 24.386 6.654 ( -2.734 -2.929 0.000) 4.006 7.332 ( -1.701 -0.207 0.000) 1.713 10.570 ( -6.554 -0.108 0.000) 6.555 11.049 ( 6.058 0.195 0.000) 6.061 12.352 ( -1.296 -0.180 0.000) 1.308 12.368 ( 1.184 1.401 0.000) 1.834 12.429 ( 1.277 0.125 0.000) 1.283 13.449 ( 1.334 0.296 0.000) 1.367 14.634 ( 0.864 1.563 0.000) 1.785 14.810 ( -1.719 -2.464 0.000) 3.004 15.311 ( 0.757 0.386 0.000) 0.849 15.713 ( -0.531 -0.388 0.000) 0.658 17.171 ( 3.269 -0.751 0.000) 3.354 17.593 ( 1.750 -0.711 0.000) 1.889 26.894 ( 6.025 -0.327 0.000) 6.034 26.966 ( -6.298 0.349 0.000) 6.308 27.154 ( -0.923 0.323 0.000) 0.977 27.236 ( 0.375 -0.382 0.000) 0.535 29.689 ( 4.454 0.362 0.000) 4.469 30.428 ( 4.885 -0.675 0.000) 4.932 30.984 ( -2.584 4.618 0.000) 5.292 32.014 ( -7.272 -3.836 0.000) 8.222 ======================= Grid point 25 (18/155) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -3.530 -1.185 0.000) 3.724 1.183 ( 2.438 1.993 0.000) 3.149 1.326 ( -0.877 -1.176 0.000) 1.467 1.408 ( -1.193 1.342 0.000) 1.796 1.615 ( 5.449 -6.066 0.000) 8.154 1.933 ( 4.755 5.887 0.000) 7.568 2.739 ( -5.338 -2.819 0.000) 6.037 3.585 ( -9.540 0.049 0.000) 9.540 4.021 ( -6.950 -1.139 0.000) 7.043 4.128 ( 2.740 3.337 0.000) 4.318 4.475 ( -2.517 -10.689 0.000) 10.981 4.695 ( -17.148 2.368 0.000) 17.311 4.960 ( -17.389 8.348 0.000) 19.289 4.980 ( 12.598 6.244 0.000) 14.060 5.264 ( 1.190 15.878 0.000) 15.923 5.437 ( 13.325 -0.624 0.000) 13.339 5.438 ( 7.994 -3.572 0.000) 8.756 5.993 ( 2.573 -11.318 0.000) 11.607 6.290 ( -1.404 -4.096 0.000) 4.330 6.324 ( 3.421 4.697 0.000) 5.811 6.653 ( -1.937 -5.374 0.000) 5.713 7.314 ( -0.467 -0.778 0.000) 0.907 10.463 ( -6.976 -1.582 0.000) 7.153 11.137 ( 5.370 1.543 0.000) 5.587 12.333 ( -1.278 -0.469 0.000) 1.361 12.369 ( 1.317 2.191 0.000) 2.557 12.447 ( 1.035 0.384 0.000) 1.104 13.474 ( 2.487 0.860 0.000) 2.632 14.615 ( -0.856 1.647 0.000) 1.856 14.803 ( -2.953 -2.862 0.000) 4.112 15.318 ( 0.837 0.859 0.000) 1.200 15.714 ( -0.157 -0.798 0.000) 0.814 17.239 ( 3.981 -0.279 0.000) 3.991 17.628 ( 1.477 -0.722 0.000) 1.644 26.858 ( -5.692 0.630 0.000) 5.727 27.003 ( 6.045 -0.676 0.000) 6.083 27.140 ( -0.436 0.155 0.000) 0.463 27.246 ( 0.305 -0.394 0.000) 0.498 29.781 ( 7.665 2.080 0.000) 7.942 30.529 ( 5.482 -1.088 0.000) 5.589 30.859 ( -4.135 7.374 0.000) 8.454 31.936 ( -8.893 -7.886 0.000) 11.886 ======================= Grid point 26 (19/155) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.765 -2.333 0.000) 2.926 1.185 ( 1.411 4.272 0.000) 4.499 1.294 ( -4.013 0.998 0.000) 4.135 1.367 ( -1.582 -0.126 0.000) 1.587 1.757 ( 4.897 -3.130 0.000) 5.812 1.949 ( 5.262 7.504 0.000) 9.165 2.733 ( -0.645 -6.187 0.000) 6.221 3.356 ( -16.379 1.343 0.000) 16.434 3.862 ( -12.711 2.813 0.000) 13.018 4.171 ( 5.557 1.665 0.000) 5.801 4.290 ( -25.098 -1.757 0.000) 25.160 4.461 ( -19.604 1.328 0.000) 19.649 4.634 ( -3.775 -4.822 0.000) 6.124 4.983 ( -4.785 14.477 0.000) 15.247 5.166 ( 8.129 7.323 0.000) 10.941 5.500 ( 4.733 6.854 0.000) 8.330 5.645 ( 10.728 0.148 0.000) 10.729 6.126 ( 3.958 -4.950 0.000) 6.338 6.307 ( 0.192 4.101 0.000) 4.106 6.505 ( 6.583 -15.207 0.000) 16.571 6.704 ( 1.741 -3.480 0.000) 3.891 7.358 ( 4.872 -1.765 0.000) 5.181 10.372 ( -6.676 -3.487 0.000) 7.532 11.196 ( 4.362 3.026 0.000) 5.308 12.318 ( -1.173 -0.675 0.000) 1.354 12.368 ( 1.664 2.757 0.000) 3.220 12.457 ( 0.773 0.615 0.000) 0.988 13.517 ( 4.026 1.605 0.000) 4.334 14.573 ( -2.574 0.785 0.000) 2.691 14.761 ( -4.813 -1.584 0.000) 5.067 15.320 ( 0.736 1.205 0.000) 1.412 15.724 ( 0.185 -1.047 0.000) 1.063 17.312 ( 4.383 0.076 0.000) 4.384 17.657 ( 1.252 -0.297 0.000) 1.287 26.762 ( -4.609 0.793 0.000) 4.677 27.110 ( 5.395 -0.973 0.000) 5.482 27.137 ( 0.052 -0.185 0.000) 0.193 27.254 ( 0.277 -0.260 0.000) 0.380 29.894 ( 9.636 4.988 0.000) 10.850 30.615 ( -0.254 -3.135 0.000) 3.145 30.711 ( -0.203 9.741 0.000) 9.743 31.890 ( -8.405 -11.494 0.000) 14.239 ======================= Grid point 27 (20/155) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.578 -2.778 0.000) 2.838 1.134 ( -0.188 7.262 0.000) 7.265 1.168 ( -7.246 4.170 0.000) 8.361 1.357 ( -0.537 -0.612 0.000) 0.814 1.833 ( 2.632 2.511 0.000) 3.638 1.947 ( 4.953 8.689 0.000) 10.001 2.844 ( 5.149 -6.464 0.000) 8.264 2.979 ( -24.164 4.966 0.000) 24.670 3.530 ( -18.430 2.761 0.000) 18.635 3.988 ( -23.297 7.101 0.000) 24.355 3.990 ( -14.122 -2.719 0.000) 14.381 4.307 ( 7.484 -3.444 0.000) 8.239 4.701 ( -5.732 17.206 0.000) 18.135 4.717 ( -1.436 -10.959 0.000) 11.053 5.249 ( 6.122 1.563 0.000) 6.319 5.499 ( 5.081 8.937 0.000) 10.280 5.805 ( 8.447 0.118 0.000) 8.448 6.239 ( 5.617 -0.894 0.000) 5.688 6.253 ( -2.215 2.536 0.000) 3.367 6.696 ( -3.231 -13.792 0.000) 14.165 6.758 ( 2.276 0.702 0.000) 2.381 7.529 ( 10.109 -5.094 0.000) 11.320 10.317 ( -5.212 -5.524 0.000) 7.595 11.220 ( 3.065 4.426 0.000) 5.384 12.308 ( -0.940 -0.805 0.000) 1.237 12.368 ( 2.115 3.161 0.000) 3.803 12.460 ( 0.521 0.789 0.000) 0.946 13.577 ( 5.616 2.566 0.000) 6.174 14.506 ( -5.541 -0.593 0.000) 5.573 14.679 ( -5.032 0.508 0.000) 5.058 15.317 ( 0.503 1.297 0.000) 1.391 15.740 ( 0.354 -1.035 0.000) 1.093 17.385 ( 4.100 -0.090 0.000) 4.101 17.681 ( 1.552 0.093 0.000) 1.555 26.686 ( -3.203 0.867 0.000) 3.318 27.144 ( 0.325 -0.538 0.000) 0.629 27.204 ( 4.072 -1.200 0.000) 4.245 27.261 ( 0.275 -0.039 0.000) 0.278 29.987 ( 9.155 8.477 0.000) 12.476 30.516 ( -6.692 2.271 0.000) 7.067 30.724 ( 4.514 2.439 0.000) 5.131 31.902 ( -5.740 -13.656 0.000) 14.813 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.555 2.402 0.000) 2.465 0.956 ( -9.512 8.825 0.000) 12.975 1.040 ( -0.655 5.809 0.000) 5.846 1.356 ( -0.138 -0.200 0.000) 0.243 1.755 ( -0.271 15.552 0.000) 15.554 1.953 ( 4.066 5.173 0.000) 6.580 2.501 ( -21.103 6.340 0.000) 22.035 3.010 ( 9.090 1.024 0.000) 9.148 3.265 ( -10.038 1.331 0.000) 10.126 3.566 ( -19.873 -0.831 0.000) 19.891 3.818 ( -7.771 0.279 0.000) 7.776 4.464 ( -2.376 13.340 0.000) 13.550 4.506 ( 9.028 -5.729 0.000) 10.692 4.792 ( -4.087 -12.374 0.000) 13.032 5.342 ( 4.631 -1.536 0.000) 4.879 5.478 ( 2.843 7.939 0.000) 8.432 5.939 ( 7.880 0.448 0.000) 7.892 6.176 ( -4.391 1.690 0.000) 4.705 6.345 ( 8.117 2.218 0.000) 8.414 6.705 ( -9.451 -9.555 0.000) 13.439 6.755 ( 0.574 4.358 0.000) 4.396 7.758 ( 7.092 -7.958 0.000) 10.659 10.317 ( -2.718 -7.275 0.000) 7.766 11.206 ( 1.551 5.658 0.000) 5.867 12.304 ( -0.536 -0.914 0.000) 1.060 12.371 ( 1.990 3.254 0.000) 3.815 12.458 ( 0.270 0.907 0.000) 0.947 13.650 ( 6.322 3.232 0.000) 7.100 14.391 ( -8.772 -1.315 0.000) 8.870 14.598 ( -2.304 2.370 0.000) 3.305 15.311 ( 0.226 1.133 0.000) 1.155 15.756 ( 0.280 -0.790 0.000) 0.839 17.447 ( 2.509 -0.594 0.000) 2.578 17.715 ( 2.415 -0.429 0.000) 2.452 26.635 ( -1.627 0.867 0.000) 1.843 27.157 ( 0.271 -0.813 0.000) 0.857 27.264 ( 0.219 0.222 0.000) 0.312 27.271 ( 2.199 -1.322 0.000) 2.565 30.009 ( 5.297 10.918 0.000) 12.135 30.403 ( -3.860 1.352 0.000) 4.090 30.764 ( 2.073 0.573 0.000) 2.151 31.982 ( -2.303 -13.871 0.000) 14.061 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 14.393 0.000) 14.393 0.823 ( 0.000 15.063 0.000) 15.063 1.044 ( -0.000 -3.415 0.000) 3.415 1.356 ( 0.000 0.037 0.000) 0.037 1.522 ( 0.000 25.597 0.000) 25.597 1.951 ( 0.000 3.966 0.000) 3.966 2.234 ( 0.000 5.540 0.000) 5.540 3.017 ( 0.000 12.836 0.000) 12.836 3.159 ( 0.000 2.127 0.000) 2.127 3.459 ( -0.000 -12.223 0.000) 12.223 3.735 ( 0.000 2.027 0.000) 2.027 4.341 ( 0.000 6.873 0.000) 6.873 4.667 ( -0.000 -6.003 0.000) 6.003 4.885 ( -0.000 -14.854 0.000) 14.854 5.414 ( -0.000 -2.091 0.000) 2.091 5.424 ( 0.000 6.361 0.000) 6.361 6.008 ( 0.000 11.539 0.000) 11.539 6.112 ( -0.000 -8.016 0.000) 8.016 6.445 ( 0.000 1.879 0.000) 1.879 6.641 ( -0.000 -5.361 0.000) 5.361 6.699 ( 0.000 6.208 0.000) 6.208 7.908 ( -0.000 -8.369 0.000) 8.369 10.378 ( -0.000 -8.277 0.000) 8.277 11.153 ( 0.000 6.606 0.000) 6.606 12.310 ( -0.000 -1.004 0.000) 1.004 12.357 ( 0.000 3.110 0.000) 3.110 12.450 ( 0.000 0.977 0.000) 0.977 13.689 ( 0.000 2.625 0.000) 2.625 14.296 ( -0.000 -0.039 0.000) 0.039 14.552 ( 0.000 2.641 0.000) 2.641 15.302 ( 0.000 0.788 0.000) 0.788 15.765 ( -0.000 -0.420 0.000) 0.420 17.476 ( -0.000 -0.689 0.000) 0.689 17.759 ( -0.000 -1.851 0.000) 1.851 26.613 ( 0.000 0.810 0.000) 0.810 27.169 ( -0.000 -0.996 0.000) 0.996 27.262 ( 0.000 0.481 0.000) 0.481 27.304 ( -0.000 -1.302 0.000) 1.302 29.939 ( 0.000 10.081 0.000) 10.081 30.360 ( 0.000 0.744 0.000) 0.744 30.778 ( 0.000 0.318 0.000) 0.318 32.108 ( -0.000 -12.449 0.000) 12.449 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -3.807 -0.000 0.000) 3.807 1.205 ( 2.959 0.000 0.000) 2.959 1.311 ( -0.391 -0.000 0.000) 0.391 1.436 ( -3.648 -0.000 0.000) 3.648 1.527 ( 9.049 0.000 0.000) 9.049 2.005 ( 4.824 0.000 0.000) 4.824 2.708 ( -6.839 -0.000 0.000) 6.839 3.583 ( -9.206 -0.000 0.000) 9.206 4.007 ( -5.886 -0.000 0.000) 5.886 4.196 ( 3.103 0.000 0.000) 3.103 4.325 ( -3.164 -0.000 0.000) 3.164 4.722 ( -17.934 -0.000 0.000) 17.934 5.066 ( 9.257 0.000 0.000) 9.257 5.070 ( -18.273 -0.000 0.000) 18.273 5.369 ( 18.365 0.000 0.000) 18.365 5.411 ( 13.317 0.000 0.000) 13.317 5.618 ( 4.972 0.000 0.000) 4.972 5.678 ( -0.498 -0.000 0.000) 0.498 6.271 ( -7.183 -0.000 0.000) 7.183 6.407 ( 7.525 0.000 0.000) 7.525 6.564 ( -5.054 -0.000 0.000) 5.054 7.305 ( -0.705 -0.000 0.000) 0.705 10.446 ( -7.606 -0.000 0.000) 7.606 11.154 ( 5.856 0.000 0.000) 5.856 12.328 ( -1.318 -0.000 0.000) 1.318 12.395 ( 1.254 0.000 0.000) 1.254 12.451 ( 1.085 0.000 0.000) 1.085 13.484 ( 2.715 0.000 0.000) 2.715 14.640 ( -1.490 -0.000 0.000) 1.490 14.763 ( -1.986 -0.000 0.000) 1.986 15.328 ( 1.005 0.000 0.000) 1.005 15.704 ( -0.289 -0.000 0.000) 0.289 17.235 ( 4.325 0.000 0.000) 4.325 17.619 ( 1.686 0.000 0.000) 1.686 26.865 ( -5.731 -0.000 0.000) 5.731 26.996 ( 6.034 0.000 0.000) 6.034 27.142 ( -0.611 -0.000 0.000) 0.611 27.241 ( 0.402 0.000 0.000) 0.402 29.805 ( 8.733 0.000 0.000) 8.733 30.515 ( 4.965 0.000 0.000) 4.965 30.957 ( -2.925 -0.000 0.000) 2.925 31.835 ( -10.869 -0.000 0.000) 10.869 ======================= Grid point 35 (24/155) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -1.866 -0.726 0.000) 2.002 1.251 ( 3.047 1.655 0.000) 3.467 1.300 ( -1.252 -0.056 0.000) 1.253 1.369 ( -3.493 0.222 0.000) 3.500 1.679 ( 6.644 -2.750 0.000) 7.190 2.076 ( 5.752 3.568 0.000) 6.768 2.630 ( -2.912 -2.782 0.000) 4.027 3.375 ( -14.308 0.396 0.000) 14.313 3.908 ( -6.343 1.199 0.000) 6.455 4.213 ( 1.487 2.337 0.000) 2.770 4.258 ( -32.737 -0.929 0.000) 32.750 4.349 ( -1.563 -5.908 0.000) 6.112 4.712 ( -18.033 4.779 0.000) 18.656 5.156 ( 2.479 2.594 0.000) 3.588 5.472 ( 1.400 19.622 0.000) 19.672 5.599 ( 9.411 2.296 0.000) 9.687 5.601 ( 7.243 -2.457 0.000) 7.649 5.887 ( 2.702 -17.418 0.000) 17.626 6.300 ( 6.238 -3.549 0.000) 7.177 6.433 ( -0.440 6.463 0.000) 6.478 6.602 ( 5.620 -5.507 0.000) 7.868 7.330 ( 3.705 -0.725 0.000) 3.775 10.321 ( -7.529 -1.224 0.000) 7.628 11.241 ( 4.822 1.070 0.000) 4.939 12.308 ( -1.159 -0.260 0.000) 1.188 12.413 ( 1.589 1.198 0.000) 1.990 12.466 ( 0.799 0.223 0.000) 0.829 13.543 ( 4.561 0.688 0.000) 4.613 14.587 ( -4.172 0.402 0.000) 4.191 14.734 ( -2.405 -0.774 0.000) 2.526 15.343 ( 0.999 0.661 0.000) 1.198 15.704 ( -0.028 -0.606 0.000) 0.606 17.310 ( 4.315 -0.082 0.000) 4.316 17.647 ( 1.294 -0.381 0.000) 1.349 26.774 ( -4.665 0.305 0.000) 4.675 27.096 ( 5.370 -0.364 0.000) 5.382 27.136 ( -0.121 0.016 0.000) 0.122 27.248 ( 0.358 -0.198 0.000) 0.409 29.974 ( 12.090 2.142 0.000) 12.278 30.567 ( -0.478 -1.245 0.000) 1.334 30.905 ( 1.442 6.654 0.000) 6.808 31.666 ( -12.707 -7.446 0.000) 14.728 ======================= Grid point 36 (25/155) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 1.079 -1.371 0.000) 1.745 1.242 ( -4.021 2.830 0.000) 4.917 1.263 ( 2.038 4.464 0.000) 4.907 1.335 ( -1.206 -1.325 0.000) 1.791 1.805 ( 4.362 -3.017 0.000) 5.304 2.120 ( 5.524 6.435 0.000) 8.481 2.691 ( 4.505 -6.382 0.000) 7.811 3.088 ( -17.479 4.340 0.000) 18.010 3.594 ( -25.482 3.214 0.000) 25.684 3.905 ( -10.906 -4.744 0.000) 11.893 4.084 ( -22.635 -0.317 0.000) 22.637 4.312 ( 5.017 4.328 0.000) 6.626 4.558 ( -0.410 -3.468 0.000) 3.492 5.068 ( -3.485 12.365 0.000) 12.846 5.329 ( 1.687 10.028 0.000) 10.169 5.667 ( 4.796 6.147 0.000) 7.797 5.717 ( 1.580 -6.014 0.000) 6.218 6.103 ( 3.556 -13.343 0.000) 13.808 6.361 ( 0.021 5.707 0.000) 5.707 6.457 ( 3.626 -6.490 0.000) 7.434 6.748 ( 6.164 -1.351 0.000) 6.311 7.449 ( 7.721 -2.469 0.000) 8.106 10.225 ( -6.135 -3.009 0.000) 6.833 11.293 ( 3.402 2.344 0.000) 4.131 12.294 ( -0.891 -0.459 0.000) 1.002 12.425 ( 1.831 1.960 0.000) 2.682 12.473 ( 0.519 0.438 0.000) 0.679 13.624 ( 6.340 1.680 0.000) 6.559 14.494 ( -6.840 -0.475 0.000) 6.856 14.692 ( -2.406 0.602 0.000) 2.480 15.347 ( 0.746 1.285 0.000) 1.486 15.715 ( 0.156 -1.144 0.000) 1.155 17.380 ( 3.566 -0.244 0.000) 3.574 17.671 ( 0.940 -0.644 0.000) 1.140 26.701 ( -3.259 0.539 0.000) 3.304 27.138 ( 0.224 -0.141 0.000) 0.265 27.183 ( 4.044 -0.714 0.000) 4.107 27.257 ( 0.309 -0.256 0.000) 0.401 30.151 ( 13.137 6.235 0.000) 14.542 30.522 ( -5.374 -1.019 0.000) 5.470 30.859 ( 2.644 9.411 0.000) 9.775 31.589 ( -9.752 -14.852 0.000) 17.767 ======================= Grid point 37 (26/155) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 1.622 -1.856 0.000) 2.465 1.117 ( -4.601 6.307 0.000) 7.807 1.222 ( 0.768 7.656 0.000) 7.694 1.339 ( -0.368 -1.376 0.000) 1.424 1.884 ( 2.127 -0.914 0.000) 2.315 2.119 ( 3.562 8.729 0.000) 9.428 2.682 ( -18.007 10.050 0.000) 20.621 2.905 ( 10.977 -7.972 0.000) 13.566 3.259 ( -12.409 -2.314 0.000) 12.623 3.645 ( -22.533 4.853 0.000) 23.050 3.802 ( -5.679 -1.307 0.000) 5.828 4.418 ( 7.630 -1.562 0.000) 7.788 4.597 ( -2.337 -5.730 0.000) 6.188 4.834 ( -2.387 19.374 0.000) 19.521 5.306 ( 1.029 -0.282 0.000) 1.067 5.650 ( 1.945 7.474 0.000) 7.723 5.803 ( -0.519 -9.450 0.000) 9.464 6.294 ( 4.740 -9.402 0.000) 10.529 6.306 ( 1.058 6.988 0.000) 7.068 6.529 ( -2.361 -4.719 0.000) 5.277 6.824 ( 2.986 2.108 0.000) 3.655 7.616 ( 6.139 -5.063 0.000) 7.957 10.185 ( -3.361 -4.960 0.000) 5.992 11.305 ( 1.744 3.607 0.000) 4.006 12.288 ( -0.505 -0.607 0.000) 0.790 12.432 ( 1.499 2.323 0.000) 2.764 12.474 ( 0.259 0.621 0.000) 0.673 13.714 ( 6.422 2.625 0.000) 6.938 14.371 ( -7.684 -0.658 0.000) 7.712 14.645 ( -1.357 1.941 0.000) 2.369 15.341 ( 0.365 1.594 0.000) 1.635 15.732 ( 0.171 -1.361 0.000) 1.372 17.433 ( 2.083 -0.583 0.000) 2.163 17.695 ( 0.785 -1.131 0.000) 1.376 26.653 ( -1.662 0.703 0.000) 1.805 27.145 ( 0.244 -0.365 0.000) 0.439 27.246 ( 2.178 -1.017 0.000) 2.404 27.264 ( 0.208 -0.201 0.000) 0.289 30.258 ( 9.450 11.472 0.000) 14.863 30.432 ( -4.403 1.397 0.000) 4.619 30.802 ( -0.317 3.482 0.000) 3.496 31.647 ( -4.081 -17.153 0.000) 17.632 ======================= Grid point 38 (27/155) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.000 -2.090 0.000) 2.090 0.977 ( 0.000 10.139 0.000) 10.139 1.131 ( 0.000 10.146 0.000) 10.146 1.348 ( -0.000 -0.891 0.000) 0.891 1.879 ( 0.000 6.284 0.000) 6.284 2.058 ( 0.000 7.819 0.000) 7.819 2.399 ( 0.000 9.898 0.000) 9.898 3.178 ( -0.000 -1.000 0.000) 1.000 3.186 ( -0.000 -12.518 0.000) 12.518 3.288 ( 0.000 11.229 0.000) 11.229 3.755 ( 0.000 0.060 0.000) 0.060 4.564 ( -0.000 -3.706 0.000) 3.706 4.608 ( -0.000 -9.728 0.000) 9.728 4.610 ( 0.000 17.894 0.000) 17.894 5.346 ( -0.000 -3.754 0.000) 3.754 5.582 ( 0.000 7.955 0.000) 7.955 5.910 ( -0.000 -10.697 0.000) 10.697 6.231 ( 0.000 9.078 0.000) 9.078 6.475 ( -0.000 -10.747 0.000) 10.747 6.485 ( 0.000 1.725 0.000) 1.725 6.811 ( 0.000 4.233 0.000) 4.233 7.737 ( -0.000 -7.091 0.000) 7.091 10.218 ( -0.000 -6.518 0.000) 6.518 11.275 ( 0.000 4.759 0.000) 4.759 12.291 ( -0.000 -0.762 0.000) 0.762 12.420 ( 0.000 2.636 0.000) 2.636 12.469 ( 0.000 0.777 0.000) 0.777 13.751 ( 0.000 2.954 0.000) 2.954 14.294 ( -0.000 -0.170 0.000) 0.170 14.609 ( 0.000 2.570 0.000) 2.570 15.327 ( 0.000 1.518 0.000) 1.518 15.748 ( -0.000 -1.207 0.000) 1.207 17.459 ( -0.000 -0.788 0.000) 0.788 17.719 ( -0.000 -1.756 0.000) 1.756 26.630 ( 0.000 0.811 0.000) 0.811 27.152 ( -0.000 -0.597 0.000) 0.597 27.267 ( -0.000 -0.038 0.000) 0.038 27.276 ( -0.000 -1.232 0.000) 1.232 30.199 ( 0.000 14.190 0.000) 14.190 30.377 ( 0.000 0.771 0.000) 0.771 30.786 ( 0.000 0.339 0.000) 0.339 31.795 ( -0.000 -16.522 0.000) 16.522 ======================= Grid point 45 (28/155) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 1.244 0.000 0.000) 1.244 1.283 ( -1.129 -0.000 0.000) 1.129 1.310 ( -3.152 -0.000 0.000) 3.152 1.313 ( 2.836 0.000 0.000) 2.836 1.764 ( 4.804 0.000 0.000) 4.804 2.193 ( 5.505 0.000 0.000) 5.505 2.617 ( 3.934 0.000 0.000) 3.934 3.137 ( -13.351 -0.000 0.000) 13.351 3.643 ( -35.139 -0.000 0.000) 35.139 3.835 ( -4.199 -0.000 0.000) 4.199 4.062 ( -19.052 -0.000 0.000) 19.052 4.367 ( 4.549 0.000 0.000) 4.549 4.544 ( -3.450 -0.000 0.000) 3.450 5.157 ( -3.011 -0.000 0.000) 3.011 5.638 ( -0.506 -0.000 0.000) 0.506 5.687 ( 0.037 0.000 0.000) 0.037 5.736 ( 4.665 0.000 0.000) 4.665 5.741 ( 2.551 0.000 0.000) 2.551 6.401 ( 6.793 0.000 0.000) 6.793 6.433 ( -1.196 -0.000 0.000) 1.196 6.726 ( 9.044 0.000 0.000) 9.044 7.423 ( 7.070 0.000 0.000) 7.070 10.192 ( -6.477 -0.000 0.000) 6.477 11.318 ( 3.499 0.000 0.000) 3.499 12.289 ( -0.859 -0.000 0.000) 0.859 12.447 ( 1.591 0.000 0.000) 1.591 12.478 ( 0.516 0.000 0.000) 0.516 13.643 ( 6.582 0.000 0.000) 6.582 14.488 ( -7.157 -0.000 0.000) 7.157 14.699 ( -1.529 -0.000 0.000) 1.529 15.363 ( 0.859 0.000 0.000) 0.859 15.701 ( 0.057 0.000 0.000) 0.057 17.377 ( 3.443 0.000 0.000) 3.443 17.663 ( 0.821 0.000 0.000) 0.821 26.707 ( -3.282 -0.000 0.000) 3.282 27.136 ( 0.178 0.000 0.000) 0.178 27.175 ( 4.036 0.000 0.000) 4.036 27.253 ( 0.324 0.000 0.000) 0.324 30.223 ( 15.223 0.000 0.000) 15.223 30.505 ( -4.802 -0.000 0.000) 4.802 31.021 ( 5.891 0.000 0.000) 5.891 31.370 ( -15.911 -0.000 0.000) 15.911 ======================= Grid point 47 (29/155) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 1.779 -0.538 0.000) 1.859 1.227 ( -2.042 4.090 0.000) 4.571 1.297 ( -0.877 -2.570 0.000) 2.716 1.337 ( 1.568 2.830 0.000) 3.236 1.837 ( 2.483 -1.894 0.000) 3.123 2.254 ( 3.563 3.457 0.000) 4.965 2.766 ( 10.327 -3.854 0.000) 11.023 2.894 ( -12.062 8.476 0.000) 14.742 3.167 ( -19.033 -5.434 0.000) 19.793 3.692 ( -21.418 0.168 0.000) 21.418 3.779 ( -3.115 -0.664 0.000) 3.185 4.439 ( 4.982 1.636 0.000) 5.243 4.536 ( 0.103 -0.376 0.000) 0.390 5.087 ( -2.972 2.518 0.000) 3.895 5.499 ( 0.059 19.342 0.000) 19.342 5.626 ( -2.907 -5.447 0.000) 6.174 5.767 ( 1.417 3.025 0.000) 3.340 5.960 ( 1.228 -19.713 0.000) 19.751 6.415 ( 0.654 2.790 0.000) 2.865 6.494 ( 3.330 -0.210 0.000) 3.337 6.850 ( 5.067 0.515 0.000) 5.093 7.546 ( 5.584 -1.573 0.000) 5.801 10.112 ( -3.758 -1.767 0.000) 4.153 11.357 ( 1.821 1.239 0.000) 2.202 12.279 ( -0.464 -0.212 0.000) 0.511 12.466 ( 1.103 0.819 0.000) 1.374 12.483 ( 0.251 0.221 0.000) 0.334 13.755 ( 6.569 1.037 0.000) 6.651 14.361 ( -7.209 -0.234 0.000) 7.213 14.675 ( -0.906 0.738 0.000) 1.169 15.370 ( 0.470 0.847 0.000) 0.969 15.707 ( 0.079 -0.770 0.000) 0.774 17.425 ( 1.916 -0.225 0.000) 1.929 17.676 ( 0.404 -0.518 0.000) 0.657 26.663 ( -1.685 0.270 0.000) 1.706 27.141 ( 0.216 -0.067 0.000) 0.226 27.230 ( 2.169 -0.376 0.000) 2.202 27.259 ( 0.203 -0.169 0.000) 0.264 30.419 ( -0.085 2.228 0.000) 2.230 30.480 ( 12.179 3.054 0.000) 12.556 30.954 ( -6.582 11.572 0.000) 13.313 31.275 ( -5.198 -17.148 0.000) 17.918 ======================= Grid point 48 (30/155) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.000 -1.104 0.000) 1.104 1.149 ( 0.000 6.265 0.000) 6.265 1.304 ( 0.000 5.713 0.000) 5.713 1.316 ( -0.000 -2.154 0.000) 2.154 1.883 ( -0.000 -2.460 0.000) 2.460 2.233 ( 0.000 6.488 0.000) 6.488 2.641 ( 0.000 12.272 0.000) 12.272 2.961 ( -0.000 -7.879 0.000) 7.879 3.097 ( -0.000 -6.726 0.000) 6.726 3.445 ( 0.000 3.298 0.000) 3.298 3.752 ( -0.000 -0.105 0.000) 0.105 4.506 ( -0.000 -1.763 0.000) 1.763 4.514 ( 0.000 0.530 0.000) 0.530 4.992 ( 0.000 12.088 0.000) 12.088 5.341 ( 0.000 8.372 0.000) 8.372 5.682 ( -0.000 -9.658 0.000) 9.658 5.732 ( 0.000 5.443 0.000) 5.443 6.172 ( -0.000 -17.596 0.000) 17.596 6.383 ( 0.000 4.943 0.000) 4.943 6.515 ( 0.000 1.024 0.000) 1.024 6.878 ( 0.000 2.075 0.000) 2.075 7.623 ( -0.000 -3.460 0.000) 3.460 10.108 ( -0.000 -3.615 0.000) 3.615 11.353 ( 0.000 2.478 0.000) 2.478 12.278 ( -0.000 -0.399 0.000) 0.399 12.464 ( 0.000 1.424 0.000) 1.424 12.482 ( 0.000 0.427 0.000) 0.427 13.806 ( 0.000 1.982 0.000) 1.982 14.289 ( -0.000 -0.185 0.000) 0.185 14.654 ( 0.000 1.561 0.000) 1.561 15.361 ( 0.000 1.454 0.000) 1.454 15.719 ( -0.000 -1.293 0.000) 1.293 17.445 ( -0.000 -0.494 0.000) 0.494 17.688 ( -0.000 -1.086 0.000) 1.086 26.645 ( 0.000 0.503 0.000) 0.503 27.144 ( -0.000 -0.195 0.000) 0.195 27.255 ( -0.000 -0.728 0.000) 0.728 27.263 ( -0.000 -0.254 0.000) 0.254 30.391 ( 0.000 0.489 0.000) 0.489 30.530 ( 0.000 16.282 0.000) 16.282 30.792 ( 0.000 0.222 0.000) 0.222 31.423 ( -0.000 -17.706 0.000) 17.706 ======================= Grid point 58 (31/155) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.000 -0.000 0.000) 0.000 1.251 ( -0.000 -0.000 0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.366 ( -0.000 -0.000 0.000) 0.000 1.848 ( -0.000 -0.000 0.000) 0.000 2.305 ( -0.000 -0.000 0.000) 0.000 2.874 ( -0.000 -0.000 0.000) 0.000 2.876 ( -0.000 -0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.468 ( -0.000 -0.000 0.000) 0.000 3.751 ( -0.000 -0.000 0.000) 0.000 4.488 ( -0.000 -0.000 0.000) 0.000 4.544 ( -0.000 -0.000 0.000) 0.000 5.067 ( -0.000 -0.000 0.000) 0.000 5.563 ( -0.000 -0.000 0.000) 0.000 5.681 ( -0.000 -0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.793 ( -0.000 -0.000 0.000) 0.000 6.436 ( -0.000 -0.000 0.000) 0.000 6.526 ( -0.000 -0.000 0.000) 0.000 6.900 ( -0.000 -0.000 0.000) 0.000 7.588 ( -0.000 -0.000 0.000) 0.000 10.069 ( -0.000 -0.000 0.000) 0.000 11.380 ( -0.000 -0.000 0.000) 0.000 12.274 ( -0.000 -0.000 0.000) 0.000 12.479 ( -0.000 -0.000 0.000) 0.000 12.487 ( -0.000 -0.000 0.000) 0.000 13.828 ( -0.000 -0.000 0.000) 0.000 14.287 ( -0.000 -0.000 0.000) 0.000 14.672 ( -0.000 -0.000 0.000) 0.000 15.379 ( -0.000 -0.000 0.000) 0.000 15.703 ( -0.000 -0.000 0.000) 0.000 17.440 ( -0.000 -0.000 0.000) 0.000 17.676 ( -0.000 -0.000 0.000) 0.000 26.650 ( -0.000 -0.000 0.000) 0.000 27.142 ( -0.000 -0.000 0.000) 0.000 27.247 ( -0.000 -0.000 0.000) 0.000 27.260 ( -0.000 -0.000 0.000) 0.000 30.396 ( -0.000 -0.000 0.000) 0.000 30.789 ( -0.000 -0.000 0.000) 0.000 30.794 ( -0.000 -0.000 0.000) 0.000 31.149 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/155) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 0.000 0.000 20.117) 20.117 0.393 ( 0.000 0.000 19.862) 19.862 1.304 ( 0.000 0.000 65.561) 65.561 1.340 ( 0.000 0.000 -0.683) 0.683 1.748 ( 0.000 0.000 48.104) 48.104 1.821 ( 0.000 0.000 -2.522) 2.522 2.165 ( 0.000 0.000 3.002) 3.002 2.907 ( 0.000 0.000 13.520) 13.520 3.030 ( 0.000 0.000 -5.065) 5.065 3.471 ( 0.000 0.000 4.531) 4.531 3.579 ( 0.000 0.000 -6.294) 6.294 3.778 ( 0.000 0.000 0.753) 0.753 4.929 ( 0.000 0.000 2.195) 2.195 4.983 ( 0.000 0.000 -19.439) 19.439 5.287 ( 0.000 0.000 -7.966) 7.966 5.508 ( 0.000 0.000 4.072) 4.072 5.712 ( 0.000 0.000 -4.989) 4.989 5.932 ( 0.000 0.000 18.758) 18.758 6.222 ( 0.000 0.000 -8.128) 8.128 6.398 ( 0.000 0.000 0.301) 0.301 7.130 ( 0.000 0.000 3.559) 3.559 7.306 ( 0.000 0.000 3.094) 3.094 10.695 ( 0.000 0.000 1.318) 1.318 10.893 ( 0.000 0.000 0.406) 0.406 11.943 ( 0.000 0.000 -29.909) 29.909 12.020 ( 0.000 0.000 -30.771) 30.771 12.830 ( 0.000 0.000 4.938) 4.938 13.402 ( 0.000 0.000 -1.847) 1.847 14.298 ( 0.000 0.000 0.275) 0.275 14.474 ( 0.000 0.000 -1.152) 1.152 15.724 ( 0.000 0.000 2.670) 2.670 15.793 ( 0.000 0.000 2.676) 2.676 17.227 ( 0.000 0.000 14.279) 14.279 17.594 ( 0.000 0.000 9.693) 9.693 27.163 ( 0.000 0.000 -2.755) 2.755 27.215 ( 0.000 0.000 0.370) 0.370 27.515 ( 0.000 0.000 13.890) 13.890 29.567 ( 0.000 0.000 -13.090) 13.090 30.226 ( 0.000 0.000 8.151) 8.151 30.355 ( 0.000 0.000 1.359) 1.359 30.751 ( 0.000 0.000 -1.980) 1.980 30.900 ( 0.000 0.000 -3.319) 3.319 ======================= Grid point 106 (33/155) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 8.788 -16.112 12.338) 22.115 0.712 ( 21.591 -6.509 9.254) 24.376 1.338 ( 0.053 0.024 3.743) 3.744 1.401 ( 6.490 -5.713 53.626) 54.318 1.711 ( -1.086 3.981 39.692) 39.906 1.829 ( -1.127 -2.252 5.669) 6.203 2.488 ( 26.300 5.216 -6.144) 27.508 2.925 ( 5.451 1.918 14.966) 16.043 3.124 ( 9.909 -1.412 -5.023) 11.198 3.648 ( 3.751 -12.071 -4.854) 13.540 3.711 ( 5.924 -11.286 -9.022) 15.616 3.859 ( 9.628 -1.728 0.269) 9.785 4.804 ( -7.081 7.946 -2.597) 10.955 4.991 ( -6.511 -7.423 -12.422) 15.869 5.270 ( 2.586 7.234 -8.402) 11.385 5.410 ( 1.824 10.252 7.297) 12.715 5.803 ( -8.314 -10.720 3.766) 14.080 5.878 ( -5.238 -9.008 6.414) 12.236 6.321 ( 6.140 -0.946 -4.339) 7.578 6.510 ( 4.959 -4.714 -1.058) 6.924 7.168 ( 9.395 13.080 -3.082) 16.397 7.457 ( 3.102 -12.361 -19.163) 23.014 10.681 ( 2.425 5.743 1.974) 6.540 10.932 ( 0.079 -5.076 0.413) 5.094 11.838 ( -6.201 2.931 -28.383) 29.200 12.038 ( -0.270 -2.220 -30.112) 30.195 12.795 ( -0.143 3.434 11.300) 11.811 13.428 ( -0.864 -3.956 -3.125) 5.115 14.408 ( 9.667 1.396 -8.626) 13.032 14.491 ( 1.722 -1.212 -1.717) 2.717 15.589 ( -5.555 7.277 11.458) 14.666 15.791 ( -0.642 -0.244 2.692) 2.778 17.322 ( -2.691 -15.276 7.865) 17.391 17.575 ( -1.215 0.006 9.214) 9.294 27.156 ( -0.673 0.298 -2.490) 2.596 27.216 ( 0.078 -0.043 0.286) 0.299 27.489 ( -2.311 1.351 13.783) 14.041 28.248 ( -59.243 41.746 75.646) 104.761 29.717 ( -3.528 -2.288 1.873) 4.603 30.358 ( -0.609 -1.508 1.135) 1.983 30.850 ( 5.192 8.453 -2.468) 10.222 31.765 ( 18.117 -18.660 -31.376) 40.754 ======================= Grid point 107 (34/155) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 9.004 -14.190 6.188) 17.909 1.086 ( 13.740 -5.790 9.189) 17.514 1.338 ( 0.025 0.041 3.430) 3.431 1.585 ( 5.342 -7.006 38.616) 39.608 1.650 ( -0.257 4.565 37.146) 37.426 1.828 ( -1.254 -1.602 8.812) 9.044 2.819 ( 13.216 -1.284 0.200) 13.280 3.096 ( 18.605 3.009 12.683) 22.717 3.378 ( 17.315 -2.108 -4.227) 17.947 3.857 ( 8.637 -6.604 -7.625) 13.279 3.941 ( 15.862 -1.288 -6.496) 17.189 4.101 ( 10.222 -8.071 -1.955) 13.170 4.572 ( -9.658 5.802 3.073) 11.678 4.924 ( -8.934 -5.856 -11.463) 15.669 5.223 ( -0.078 5.442 -5.474) 7.719 5.348 ( 3.527 11.610 7.009) 14.013 5.682 ( -11.953 -5.676 14.812) 19.862 5.949 ( -2.990 -12.245 -4.139) 13.267 6.399 ( 3.842 2.909 -0.085) 4.820 6.612 ( 1.182 -5.527 1.092) 5.757 7.161 ( 3.842 9.886 -6.588) 12.486 7.482 ( -8.424 -2.177 -21.329) 23.035 10.662 ( 3.435 7.129 3.828) 8.790 10.981 ( -1.182 -5.814 0.821) 5.990 11.732 ( -3.483 1.318 -32.533) 32.746 12.056 ( -0.003 -1.693 -30.400) 30.447 12.770 ( 0.575 2.265 14.044) 14.238 13.443 ( -1.297 -2.522 -2.173) 3.573 14.495 ( 3.159 1.056 -3.766) 5.028 14.590 ( 6.879 -1.061 -9.125) 11.476 15.462 ( -2.992 3.112 11.588) 12.366 15.779 ( -0.915 -0.083 2.362) 2.534 17.388 ( -5.266 -9.952 10.691) 15.527 17.584 ( 1.051 -2.085 5.696) 6.156 27.128 ( -2.065 1.665 0.275) 2.666 27.217 ( -0.038 0.036 0.538) 0.541 27.336 ( -11.938 11.486 39.448) 42.786 27.467 ( -8.871 2.650 25.453) 27.084 29.698 ( -3.078 -3.661 -0.338) 4.795 30.368 ( -0.910 -3.024 0.360) 3.178 30.844 ( 3.977 7.294 -1.451) 8.434 32.020 ( 4.225 -3.484 -18.195) 19.001 ======================= Grid point 108 (35/155) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 6.369 -7.037 3.052) 9.970 1.319 ( 5.819 -5.605 8.291) 11.576 1.342 ( 1.604 -0.476 10.520) 10.653 1.606 ( 1.321 4.458 36.195) 36.493 1.704 ( 0.020 -5.334 20.700) 21.376 1.828 ( -0.682 -1.842 14.717) 14.848 2.971 ( 3.961 -1.953 8.649) 9.712 3.399 ( 16.781 2.018 4.559) 17.507 3.734 ( 19.894 -1.517 -1.599) 20.015 4.093 ( 12.475 0.928 -8.869) 15.335 4.226 ( 9.589 -3.261 -9.509) 13.892 4.324 ( 10.903 -4.755 -1.400) 11.977 4.476 ( 4.204 -3.620 5.325) 7.690 4.847 ( -4.249 -3.392 -7.716) 9.439 5.162 ( -2.510 0.871 -2.957) 3.975 5.267 ( 2.216 12.960 8.413) 15.610 5.542 ( -11.932 -6.232 12.698) 18.505 6.018 ( -1.685 -8.182 -4.100) 9.306 6.392 ( -1.035 2.357 4.358) 5.061 6.672 ( 0.577 -2.142 -2.965) 3.703 7.032 ( -8.611 9.721 -12.865) 18.280 7.336 ( -6.434 -0.505 -8.330) 10.538 10.647 ( 3.022 6.043 5.257) 8.560 11.015 ( -1.447 -4.755 0.409) 4.987 11.682 ( -1.418 0.658 -36.330) 36.364 12.072 ( 0.097 -1.084 -31.154) 31.173 12.762 ( 0.556 1.255 14.877) 14.940 13.442 ( -1.128 -1.258 -1.404) 2.197 14.532 ( 2.116 0.298 -2.362) 3.185 14.707 ( 5.250 -1.107 -8.875) 10.371 15.405 ( -1.474 1.092 9.203) 9.384 15.764 ( -0.862 -0.029 1.904) 2.090 17.382 ( -3.820 -4.675 13.230) 14.542 17.634 ( 1.080 -3.044 4.951) 5.912 27.033 ( -2.772 4.405 16.643) 17.438 27.162 ( -2.553 1.084 12.961) 13.254 27.221 ( 0.109 0.581 1.843) 1.936 27.361 ( -4.737 0.586 12.472) 13.354 29.685 ( -2.979 -3.448 -0.402) 4.575 30.391 ( -0.877 -4.018 -1.142) 4.268 30.830 ( 3.241 6.890 0.205) 7.616 32.078 ( 1.661 0.241 -11.941) 12.059 ======================= Grid point 109 (36/155) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 2.261 -1.634 4.175) 5.021 1.351 ( 1.271 -0.719 1.745) 2.275 1.463 ( 2.451 -3.905 22.956) 23.414 1.605 ( 3.125 2.872 36.152) 36.400 1.717 ( -1.885 -2.023 4.477) 5.262 1.837 ( -1.276 -2.268 19.331) 19.505 3.017 ( 1.166 0.620 14.241) 14.302 3.600 ( 8.789 0.980 1.581) 8.984 4.012 ( 10.869 -0.543 -3.020) 11.293 4.115 ( -1.625 1.023 2.371) 3.051 4.429 ( 1.989 -6.313 -10.898) 12.750 4.623 ( 16.994 -2.212 -2.415) 17.306 4.649 ( 9.011 -2.754 -7.145) 11.825 4.902 ( 6.514 0.700 -4.132) 7.746 5.155 ( 1.941 12.635 7.142) 14.643 5.166 ( 0.404 -7.908 1.181) 8.006 5.405 ( -10.624 -4.607 8.347) 14.275 6.062 ( -0.637 -3.419 -3.775) 5.133 6.332 ( -3.025 1.205 5.721) 6.583 6.591 ( -11.798 5.981 -11.488) 17.519 6.796 ( -4.129 1.413 -0.560) 4.400 7.286 ( -0.964 0.101 -5.800) 5.881 10.638 ( 1.788 3.375 5.662) 6.830 11.034 ( -0.940 -2.592 -0.211) 2.765 11.663 ( -0.434 0.258 -38.071) 38.075 12.082 ( 0.059 -0.497 -31.819) 31.823 12.760 ( 0.341 0.519 15.248) 15.260 13.434 ( -0.699 -0.462 -1.015) 1.316 14.559 ( 1.199 0.052 -1.804) 2.167 14.787 ( 2.811 -0.825 -7.896) 8.422 15.381 ( -0.646 0.346 7.735) 7.770 15.752 ( -0.513 -0.011 1.553) 1.636 17.368 ( -1.863 -1.987 14.068) 14.330 17.676 ( 0.575 -1.812 5.620) 5.933 26.986 ( 0.547 1.835 10.703) 10.873 27.123 ( -1.807 0.013 10.861) 11.010 27.212 ( -0.335 0.835 4.610) 4.697 27.292 ( -2.609 0.035 6.909) 7.385 29.672 ( -1.863 -2.057 -0.186) 2.782 30.419 ( -0.580 -3.235 -3.054) 4.487 30.811 ( 1.919 4.684 2.172) 5.508 32.090 ( 0.745 0.755 -9.242) 9.302 ======================= Grid point 110 (37/155) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 -0.000 4.600) 4.600 1.372 ( 0.000 -0.000 2.532) 2.532 1.502 ( 0.000 -0.000 27.230) 27.230 1.620 ( 0.000 -0.000 34.032) 34.032 1.713 ( 0.000 -0.000 1.476) 1.476 1.835 ( 0.000 -0.000 17.506) 17.506 3.020 ( 0.000 -0.000 16.560) 16.560 3.672 ( 0.000 -0.000 1.147) 1.147 4.084 ( 0.000 -0.000 0.166) 0.166 4.123 ( 0.000 -0.000 -0.436) 0.436 4.451 ( 0.000 -0.000 -11.288) 11.288 4.765 ( -0.000 -0.000 -6.519) 6.519 4.811 ( 0.000 0.000 -2.993) 2.993 4.970 ( 0.000 -0.000 3.456) 3.456 5.057 ( 0.000 -0.000 4.127) 4.127 5.258 ( -0.000 0.000 10.114) 10.114 5.355 ( 0.000 -0.000 -12.263) 12.263 6.066 ( 0.000 -0.000 -2.924) 2.924 6.294 ( 0.000 -0.000 5.551) 5.551 6.392 ( 0.000 -0.000 -4.778) 4.778 6.776 ( 0.000 -0.000 0.143) 0.143 7.279 ( 0.000 -0.000 -6.139) 6.139 10.635 ( 0.000 -0.000 5.692) 5.692 11.039 ( 0.000 -0.000 -0.491) 0.491 11.658 ( 0.000 -0.000 -38.529) 38.529 12.085 ( 0.000 -0.000 -32.080) 32.080 12.761 ( 0.000 -0.000 15.358) 15.358 13.431 ( 0.000 -0.000 -0.896) 0.896 14.569 ( 0.000 -0.000 -1.598) 1.598 14.816 ( 0.000 -0.000 -7.532) 7.532 15.373 ( 0.000 -0.000 7.267) 7.267 15.748 ( 0.000 -0.000 1.426) 1.426 17.363 ( 0.000 -0.000 14.314) 14.314 17.690 ( 0.000 -0.000 5.937) 5.937 26.987 ( 0.000 -0.000 5.445) 5.445 27.104 ( 0.000 -0.000 14.585) 14.585 27.201 ( 0.000 -0.000 6.662) 6.662 27.272 ( 0.000 -0.000 3.138) 3.138 29.667 ( 0.000 -0.000 -0.074) 0.074 30.433 ( 0.000 -0.000 -4.060) 4.060 30.801 ( 0.000 -0.000 3.184) 3.184 32.092 ( 0.000 -0.000 -8.453) 8.453 ======================= Grid point 117 (38/155) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 13.164 0.000 9.080) 15.992 1.043 ( 17.311 0.000 7.754) 18.968 1.340 ( -0.062 -0.000 0.041) 0.074 1.503 ( 7.520 0.000 46.095) 46.705 1.705 ( -1.453 -0.000 46.230) 46.252 1.823 ( 0.710 0.000 -2.149) 2.263 2.800 ( 8.318 0.000 2.427) 8.664 3.274 ( 27.922 0.000 1.732) 27.976 3.303 ( 11.924 0.000 -3.286) 12.369 3.610 ( 9.347 0.000 0.968) 9.397 3.920 ( 17.038 0.000 -6.434) 18.212 4.071 ( 14.666 0.000 -1.048) 14.703 4.708 ( -11.638 -0.000 4.855) 12.610 4.787 ( -9.342 -0.000 -15.445) 18.051 5.367 ( 2.293 0.000 -6.076) 6.495 5.492 ( 1.556 0.000 8.434) 8.576 5.584 ( -10.768 -0.000 12.687) 16.641 5.754 ( -2.328 -0.000 2.743) 3.598 6.468 ( 8.576 0.000 -5.786) 10.345 6.508 ( -1.101 -0.000 4.383) 4.519 7.304 ( -0.254 -0.000 -1.219) 1.245 7.421 ( -3.824 -0.000 -30.918) 31.153 10.773 ( 4.258 0.000 1.680) 4.578 10.886 ( -2.070 -0.000 3.125) 3.749 11.747 ( -4.620 -0.000 -30.672) 31.018 12.036 ( 0.874 0.000 -31.105) 31.117 12.810 ( -0.062 -0.000 12.942) 12.942 13.409 ( 0.395 0.000 -1.559) 1.609 14.512 ( 2.107 0.000 -1.404) 2.532 14.576 ( 7.406 0.000 -15.160) 16.872 15.510 ( -6.160 -0.000 11.554) 13.094 15.776 ( -0.944 -0.000 2.338) 2.522 17.230 ( 0.415 0.000 14.406) 14.412 17.567 ( 0.458 0.000 7.380) 7.394 27.142 ( -1.255 -0.000 -2.246) 2.573 27.217 ( 0.041 0.000 0.546) 0.547 27.442 ( -3.977 -0.000 13.040) 13.633 27.564 ( -32.771 -0.000 64.401) 72.260 29.660 ( -2.160 -0.000 -0.826) 2.313 30.332 ( -0.844 -0.000 0.309) 0.898 30.961 ( 2.855 0.000 -2.130) 3.562 31.936 ( 8.853 0.000 -20.040) 21.908 ======================= Grid point 118 (39/155) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 11.199 -7.907 4.883) 14.553 1.268 ( 9.197 -0.180 9.662) 13.341 1.340 ( 0.149 -0.181 2.226) 2.239 1.609 ( 2.685 -2.655 32.918) 33.134 1.681 ( 0.082 1.877 43.933) 43.973 1.834 ( 1.369 1.393 1.261) 2.325 2.921 ( 5.367 -1.784 8.607) 10.299 3.467 ( 12.194 3.559 0.114) 12.703 3.741 ( 23.089 3.305 -1.460) 23.370 3.924 ( 17.946 -12.569 -5.170) 22.512 4.241 ( 19.411 0.204 -5.918) 20.294 4.308 ( 11.147 3.393 -8.214) 14.257 4.474 ( -6.305 3.205 7.046) 9.983 4.697 ( -7.163 -8.529 -5.624) 12.478 5.315 ( -0.904 9.812 -1.912) 10.037 5.413 ( -9.772 -1.522 14.849) 17.841 5.499 ( 1.463 4.228 8.420) 9.534 5.796 ( -0.998 -10.612 -2.824) 11.027 6.447 ( -2.839 2.376 5.040) 6.253 6.609 ( 4.264 -2.840 -2.974) 5.924 7.193 ( -14.248 5.010 -19.785) 24.890 7.310 ( -3.871 -1.767 -7.665) 8.767 10.778 ( 0.436 6.066 4.473) 7.549 10.906 ( 0.742 -5.422 2.210) 5.902 11.691 ( -2.098 0.198 -36.023) 36.084 12.056 ( 0.999 -0.422 -31.362) 31.380 12.803 ( 0.401 1.724 14.523) 14.631 13.421 ( 0.294 -0.617 -1.311) 1.478 14.547 ( 2.422 0.881 -1.992) 3.258 14.678 ( 4.226 -1.234 -11.826) 12.620 15.426 ( -3.081 0.632 9.692) 10.189 15.759 ( -1.095 -0.236 1.996) 2.289 17.268 ( 0.106 -4.266 14.110) 14.741 17.592 ( 1.703 -0.921 6.246) 6.539 27.106 ( -2.606 1.741 2.195) 3.827 27.186 ( -6.565 0.732 24.027) 24.918 27.241 ( -2.364 1.250 13.493) 13.755 27.366 ( -4.971 -0.067 12.418) 13.376 29.636 ( -1.312 -1.099 -0.974) 1.970 30.333 ( 0.161 -1.380 -0.546) 1.493 30.976 ( 2.483 5.189 -1.011) 5.841 32.033 ( 1.225 -2.828 -12.651) 13.021 ======================= Grid point 119 (40/155) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 6.617 -6.128 3.403) 9.640 1.341 ( 0.680 -0.227 0.933) 1.177 1.391 ( 3.867 -1.691 15.459) 16.025 1.650 ( -1.352 -2.634 25.805) 25.974 1.679 ( 2.692 1.793 38.749) 38.884 1.837 ( 1.266 2.385 5.174) 5.836 3.003 ( 1.612 -1.433 12.861) 13.040 3.620 ( 7.586 0.666 0.515) 7.632 3.995 ( 8.645 -0.744 -4.355) 9.708 4.189 ( -2.592 4.396 1.673) 5.370 4.329 ( 11.872 -1.087 -11.715) 16.714 4.589 ( 11.661 -1.272 -5.242) 12.848 4.599 ( 16.464 -1.836 -3.696) 16.973 4.788 ( 7.141 -12.389 1.541) 14.382 5.178 ( -2.593 9.231 -0.034) 9.588 5.300 ( -3.804 -0.639 11.219) 11.864 5.431 ( -1.893 8.567 8.468) 12.193 5.907 ( 0.135 -10.859 -3.777) 11.498 6.366 ( -3.583 1.790 5.485) 6.792 6.658 ( -3.042 0.412 -6.343) 7.047 6.832 ( -17.885 1.966 -9.787) 20.482 7.286 ( -0.826 -0.040 -6.357) 6.410 10.708 ( -2.551 2.930 5.747) 6.936 10.981 ( 2.845 -2.181 0.839) 3.682 11.664 ( -1.123 -0.064 -38.756) 38.772 12.075 ( 0.898 -0.159 -31.735) 31.748 12.791 ( 0.579 1.943 15.275) 15.409 13.430 ( 0.347 -0.073 -1.026) 1.086 14.573 ( 1.771 1.206 -2.092) 2.994 14.752 ( 2.199 -2.264 -8.563) 9.126 15.386 ( -1.320 0.143 7.653) 7.767 15.745 ( -0.911 -0.464 1.622) 1.917 17.311 ( 0.457 -2.946 14.265) 14.574 17.637 ( 1.919 -1.453 6.129) 6.585 27.033 ( -1.560 2.458 10.581) 10.974 27.117 ( -2.495 -0.747 14.247) 14.483 27.230 ( 0.008 0.836 3.741) 3.833 27.289 ( -3.613 -0.253 8.724) 9.446 29.640 ( 0.453 -0.966 -0.664) 1.256 30.367 ( 1.851 -1.612 -1.610) 2.936 30.939 ( 0.545 6.452 0.314) 6.482 32.055 ( -2.200 -3.413 -9.294) 10.142 ======================= Grid point 120 (41/155) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.923 -1.124 3.596) 3.879 1.364 ( 1.476 -0.434 2.968) 3.343 1.454 ( 0.392 -3.115 22.020) 22.242 1.633 ( -2.147 -0.571 28.320) 28.407 1.735 ( 4.494 0.633 21.728) 22.197 1.833 ( 1.638 2.102 8.816) 9.210 3.003 ( -2.627 -1.335 16.056) 16.324 3.680 ( -0.573 0.422 0.903) 1.150 4.064 ( 0.107 -1.881 -4.388) 4.776 4.133 ( -1.145 1.748 3.882) 4.408 4.488 ( 9.673 2.811 -11.097) 14.987 4.738 ( 1.205 -3.936 -0.703) 4.176 4.772 ( 1.805 -2.948 -1.265) 3.680 5.021 ( -0.670 10.384 -4.158) 11.205 5.116 ( 3.861 -2.858 -0.506) 4.830 5.270 ( -0.342 1.406 -2.224) 2.653 5.338 ( 5.907 2.127 7.742) 9.968 6.015 ( 0.950 -6.419 -3.860) 7.550 6.303 ( -1.749 0.911 3.445) 3.970 6.411 ( -10.541 2.562 -4.139) 11.611 6.743 ( -1.687 -3.054 0.443) 3.517 7.277 ( -0.418 -0.185 -6.044) 6.061 10.635 ( -4.055 0.012 5.896) 7.156 11.044 ( 3.416 0.413 -0.225) 3.449 11.652 ( -0.704 -0.516 -39.549) 39.558 12.089 ( 0.755 0.281 -32.018) 32.028 12.781 ( 0.574 1.722 15.621) 15.726 13.437 ( 0.859 0.499 -0.882) 1.328 14.581 ( 0.584 1.092 -1.799) 2.184 14.794 ( -0.103 -1.969 -7.042) 7.312 15.372 ( -0.380 -0.099 6.678) 6.690 15.739 ( -0.486 -0.673 1.338) 1.574 17.349 ( 1.585 -1.136 14.302) 14.435 17.680 ( 1.507 -0.814 6.382) 6.608 26.996 ( -1.606 0.762 5.333) 5.622 27.100 ( 0.059 -0.378 14.957) 14.962 27.207 ( -1.252 0.494 6.720) 6.853 27.267 ( 0.099 -0.425 3.354) 3.382 29.671 ( 2.809 0.363 -0.334) 2.851 30.427 ( 3.655 -0.480 -2.920) 4.702 30.861 ( -2.241 5.130 1.721) 5.856 32.041 ( -4.125 -4.466 -8.094) 10.123 ======================= Grid point 121 (42/155) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.059 -0.016 5.336) 5.440 1.369 ( -1.278 0.774 0.697) 1.648 1.477 ( -0.513 -2.303 28.551) 28.648 1.591 ( -3.074 0.674 29.433) 29.601 1.784 ( 4.636 4.344 5.006) 8.089 1.868 ( 3.242 0.295 18.543) 18.826 2.974 ( -2.950 -3.108 15.617) 16.194 3.590 ( -9.320 0.020 1.429) 9.429 4.016 ( -8.767 0.010 -1.877) 8.966 4.128 ( 3.267 1.370 4.272) 5.550 4.557 ( -3.334 5.011 -7.297) 9.459 4.674 ( -5.385 1.877 -6.723) 8.816 4.754 ( -11.868 7.709 -4.722) 14.919 4.859 ( -4.397 -11.026 4.319) 12.632 4.982 ( -3.554 7.786 -2.384) 8.885 5.327 ( -1.527 3.980 -6.239) 7.556 5.483 ( 13.250 1.904 5.006) 14.292 6.073 ( 2.050 -1.802 -3.319) 4.297 6.323 ( 2.644 0.212 4.944) 5.610 6.429 ( 8.039 -7.942 -4.980) 12.349 6.755 ( -0.334 -2.798 0.555) 2.872 7.281 ( 0.810 -0.409 -5.015) 5.097 10.572 ( -4.906 -2.650 5.960) 8.161 11.088 ( 3.426 2.410 -1.010) 4.309 11.650 ( -0.338 -0.898 -39.220) 39.232 12.096 ( 0.688 0.709 -31.914) 31.930 12.773 ( 0.469 1.549 15.730) 15.813 13.450 ( 1.720 1.001 -0.963) 2.211 14.568 ( -0.768 0.906 -1.731) 2.099 14.785 ( -2.790 -0.934 -6.554) 7.184 15.373 ( 0.200 -0.306 6.730) 6.740 15.743 ( 0.020 -0.792 1.246) 1.477 17.391 ( 2.872 0.298 13.948) 14.244 17.703 ( 0.977 0.618 6.271) 6.377 26.958 ( -2.332 -0.761 9.189) 9.511 27.121 ( 1.579 -0.107 9.427) 9.559 27.196 ( -0.066 -0.621 5.247) 5.284 27.288 ( 1.952 -0.322 5.743) 6.074 29.723 ( 4.967 2.587 -0.156) 5.602 30.490 ( 4.689 2.728 -4.061) 6.776 30.765 ( -4.631 0.978 2.869) 5.535 32.016 ( -5.032 -5.925 -8.425) 11.464 ======================= Grid point 122 (43/155) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -4.616 2.115 3.185) 5.994 1.331 ( -1.190 -0.216 4.099) 4.274 1.476 ( -1.207 4.886 22.956) 23.501 1.521 ( -2.964 -2.323 32.857) 33.072 1.816 ( 4.770 5.545 5.473) 9.135 1.898 ( 2.100 3.110 21.638) 21.962 2.969 ( -1.954 -2.501 10.632) 11.096 3.373 ( -16.561 -0.590 4.904) 17.281 3.783 ( -17.074 2.795 -1.231) 17.345 4.094 ( -9.693 2.778 -5.232) 11.360 4.302 ( -17.910 3.979 -3.726) 18.721 4.381 ( -6.032 0.509 1.734) 6.297 4.650 ( -4.802 11.277 -3.107) 12.645 4.881 ( 4.501 -0.064 -5.514) 7.118 4.970 ( -1.733 -11.081 1.082) 11.268 5.264 ( 2.142 7.308 -3.526) 8.393 5.662 ( 11.348 3.736 6.416) 13.561 6.122 ( 3.402 1.751 -3.609) 5.260 6.357 ( 0.690 -0.645 5.575) 5.655 6.661 ( 5.228 -5.187 -6.857) 10.063 6.818 ( 2.200 -7.934 -3.391) 8.904 7.333 ( 5.548 -0.637 -5.981) 8.183 10.528 ( -4.973 -4.984 5.963) 9.226 11.108 ( 2.964 3.997 -1.248) 5.130 11.661 ( 0.362 -1.304 -38.145) 38.169 12.097 ( 0.720 1.171 -31.274) 31.305 12.764 ( 0.362 1.402 15.627) 15.694 13.473 ( 2.589 1.698 -1.381) 3.390 14.536 ( -2.161 0.570 -2.219) 3.150 14.720 ( -5.161 0.188 -6.247) 8.105 15.385 ( 0.574 -0.723 7.678) 7.734 15.756 ( 0.439 -0.791 1.416) 1.680 17.442 ( 4.077 1.274 13.141) 13.818 17.700 ( 0.677 2.488 5.420) 6.002 26.950 ( -0.484 -3.058 16.194) 16.488 27.146 ( 1.062 -0.416 5.735) 5.847 27.208 ( 0.275 -0.700 2.147) 2.275 27.344 ( 3.800 -0.911 10.743) 11.432 29.778 ( 6.038 5.096 -0.153) 7.902 30.504 ( 2.191 6.495 -2.546) 7.312 30.710 ( -3.386 -4.311 1.447) 5.670 31.999 ( -4.930 -6.901 -10.297) 13.340 ======================= Grid point 123 (44/155) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -9.429 4.797 2.851) 10.956 1.321 ( -3.650 8.139 21.372) 23.159 1.338 ( -0.363 3.183 1.782) 3.666 1.544 ( -0.245 -4.396 33.207) 33.498 1.781 ( -0.152 10.008 22.370) 24.507 1.898 ( 3.380 4.385 14.731) 15.737 2.858 ( -17.355 2.654 0.146) 17.557 3.100 ( -9.429 -0.043 14.511) 17.305 3.433 ( -17.322 3.149 -3.326) 17.917 3.855 ( -12.988 -0.617 -7.318) 14.921 3.960 ( -17.678 0.938 -4.100) 18.171 4.353 ( -2.537 10.928 -3.538) 11.764 4.502 ( 4.172 -0.463 8.534) 9.510 5.000 ( 8.720 2.286 -13.900) 16.567 5.053 ( -4.600 -14.638 3.284) 15.691 5.241 ( 3.072 5.919 -5.196) 8.454 5.798 ( 10.038 4.334 7.381) 13.192 6.148 ( 4.354 5.948 -4.495) 8.633 6.354 ( -1.929 -1.185 4.656) 5.178 6.709 ( 1.327 3.269 1.154) 3.712 6.919 ( -5.546 -12.497 -6.921) 15.324 7.487 ( 9.780 -1.357 -13.337) 16.594 10.511 ( -4.246 -6.736 5.380) 9.609 11.102 ( 2.031 5.336 -1.068) 5.808 11.695 ( 1.566 -2.098 -36.217) 36.312 12.095 ( 0.873 1.734 -30.176) 30.239 12.756 ( 0.216 1.043 15.272) 15.309 13.500 ( 3.281 2.776 -2.456) 4.950 14.480 ( -4.466 -0.337 -3.574) 5.730 14.616 ( -5.519 1.377 -4.712) 7.386 15.409 ( 0.857 -1.724 9.494) 9.688 15.773 ( 0.622 -0.666 1.847) 2.059 17.503 ( 4.897 1.590 11.893) 12.959 17.674 ( 0.989 4.887 3.462) 6.071 27.025 ( 3.092 -7.272 22.264) 23.624 27.175 ( 1.307 -2.314 10.099) 10.442 27.216 ( 0.052 -0.286 0.319) 0.431 27.428 ( 4.262 -1.683 14.679) 15.378 29.813 ( 5.444 6.923 -0.088) 8.808 30.447 ( -1.319 4.105 0.480) 4.338 30.726 ( -0.500 -3.614 -1.355) 3.892 31.993 ( -4.170 -5.975 -14.255) 16.009 ======================= Grid point 124 (45/155) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -14.064 8.378 6.367) 17.565 1.082 ( -4.374 19.179 15.023) 24.752 1.343 ( 0.410 0.228 1.017) 1.120 1.594 ( -0.431 -2.117 34.099) 34.167 1.621 ( -2.526 10.354 39.021) 40.450 1.913 ( 4.093 4.985 13.220) 14.710 2.441 ( -22.645 1.301 2.045) 22.775 3.009 ( -0.477 7.050 12.550) 14.402 3.164 ( -10.393 2.464 -4.526) 11.600 3.699 ( -10.045 -5.728 -0.708) 11.585 3.715 ( -8.050 0.943 -6.955) 10.680 4.170 ( -1.073 13.420 -7.512) 15.417 4.663 ( 7.500 -4.921 1.660) 9.122 5.088 ( 1.387 -3.230 -15.911) 16.294 5.145 ( 0.033 -9.245 3.081) 9.745 5.226 ( 0.984 4.095 -7.317) 8.442 5.917 ( 9.269 4.537 9.166) 13.803 6.132 ( 1.979 8.115 -7.894) 11.493 6.342 ( 1.720 1.047 3.562) 4.091 6.648 ( -3.213 6.422 -1.015) 7.252 6.907 ( -9.733 -11.795 0.598) 15.304 7.619 ( 4.717 2.656 -19.940) 20.662 10.528 ( -2.683 -7.597 3.931) 8.965 11.063 ( 0.788 6.411 -0.856) 6.516 11.761 ( 2.445 -3.724 -33.641) 33.935 12.091 ( 1.074 2.257 -28.991) 29.098 12.751 ( -0.052 0.112 14.646) 14.647 13.521 ( 3.287 4.156 -5.053) 7.322 14.381 ( -7.575 -0.898 -3.667) 8.463 14.529 ( -2.164 2.162 -1.887) 3.594 15.456 ( 1.082 -4.129 12.084) 12.815 15.789 ( 0.480 -0.448 2.415) 2.503 17.568 ( 3.304 0.381 10.526) 11.039 17.631 ( 2.718 9.138 -0.728) 9.562 27.138 ( 1.364 -2.227 0.800) 2.731 27.217 ( -0.016 -0.009 -0.132) 0.133 27.337 ( 6.131 -17.452 37.120) 41.474 27.547 ( 6.579 -9.721 31.329) 33.456 29.815 ( 3.533 6.860 0.704) 7.749 30.389 ( -1.877 1.334 1.406) 2.698 30.752 ( -0.067 -1.650 -2.084) 2.659 31.967 ( -3.629 -0.397 -21.953) 22.254 ======================= Grid point 125 (46/155) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 10.992 13.490) 17.401 0.797 ( 0.000 25.188 12.015) 27.907 1.344 ( 0.000 0.306 -0.694) 0.759 1.435 ( 0.000 11.920 55.856) 57.114 1.663 ( -0.000 -5.785 32.438) 32.950 1.909 ( 0.000 5.780 14.041) 15.184 2.184 ( 0.000 1.959 2.993) 3.577 2.924 ( 0.000 6.345 13.212) 14.657 3.050 ( 0.000 1.620 -5.187) 5.434 3.606 ( 0.000 1.895 -6.420) 6.694 3.706 ( -0.000 -6.344 0.639) 6.376 4.003 ( 0.000 20.388 -17.180) 26.661 4.795 ( -0.000 -6.036 -2.594) 6.570 5.141 ( 0.000 8.427 -10.483) 13.450 5.162 ( -0.000 -6.961 -14.808) 16.362 5.264 ( -0.000 -11.325 5.203) 12.463 5.977 ( 0.000 4.061 14.799) 15.346 6.044 ( 0.000 9.643 -14.246) 17.203 6.415 ( 0.000 1.477 0.606) 1.597 6.433 ( 0.000 13.976 -9.251) 16.761 6.918 ( -0.000 -10.826 11.410) 15.729 7.574 ( 0.000 11.409 -19.024) 22.183 10.585 ( -0.000 -7.515 2.610) 7.955 10.996 ( 0.000 6.859 -0.527) 6.879 11.840 ( -0.000 -5.665 -31.780) 32.281 12.078 ( 0.000 2.652 -28.765) 28.887 12.759 ( -0.000 -2.291 13.323) 13.519 13.503 ( 0.000 5.602 -7.845) 9.640 14.299 ( 0.000 0.091 0.353) 0.365 14.492 ( 0.000 1.615 -1.227) 2.029 15.536 ( -0.000 -8.572 13.573) 16.053 15.797 ( -0.000 -0.178 2.842) 2.848 17.536 ( 0.000 13.602 -3.777) 14.117 17.599 ( 0.000 1.559 8.693) 8.832 27.158 ( -0.000 -0.550 -2.161) 2.230 27.216 ( 0.000 0.071 0.010) 0.072 27.485 ( -0.000 -3.733 14.803) 15.266 28.098 ( -0.000 -67.253 73.718) 99.786 29.791 ( 0.000 3.694 3.269) 4.933 30.360 ( 0.000 0.446 1.359) 1.431 30.754 ( 0.000 0.205 -1.960) 1.971 31.845 ( 0.000 17.235 -33.221) 37.426 ======================= Grid point 128 (47/155) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 10.103 0.000 3.149) 10.583 1.341 ( 0.435 0.000 0.565) 0.713 1.377 ( 3.662 0.000 11.829) 12.383 1.609 ( -1.019 -0.000 29.922) 29.939 1.705 ( 1.769 0.000 44.171) 44.206 1.876 ( 2.279 0.000 -0.316) 2.301 2.983 ( 2.313 0.000 12.246) 12.462 3.626 ( 6.202 0.000 0.014) 6.202 3.987 ( 6.525 0.000 -5.304) 8.409 4.210 ( 5.943 0.000 -2.870) 6.599 4.459 ( 14.890 0.000 1.247) 14.942 4.488 ( 3.967 0.000 -18.992) 19.402 4.582 ( 19.465 0.000 -2.223) 19.592 4.612 ( 3.781 0.000 8.031) 8.877 5.230 ( -3.928 -0.000 14.963) 15.470 5.430 ( 1.587 0.000 -4.869) 5.121 5.535 ( -1.278 -0.000 9.246) 9.334 5.702 ( -1.574 -0.000 -2.203) 2.708 6.391 ( -3.871 -0.000 5.399) 6.643 6.651 ( 1.303 0.000 -1.438) 1.941 6.858 ( -23.439 -0.000 -15.911) 28.330 7.286 ( -0.731 -0.000 -6.549) 6.590 10.744 ( -5.816 -0.000 6.011) 8.364 10.954 ( 5.875 0.000 1.165) 5.989 11.663 ( -1.413 -0.000 -39.477) 39.503 12.074 ( 1.247 0.000 -31.698) 31.722 12.817 ( 0.320 0.000 15.349) 15.352 13.429 ( 0.852 0.000 -1.025) 1.332 14.594 ( 2.138 0.000 -2.006) 2.932 14.717 ( 1.680 0.000 -8.971) 9.127 15.387 ( -1.608 -0.000 7.390) 7.563 15.739 ( -1.053 -0.000 1.566) 1.887 17.273 ( 2.300 0.000 14.522) 14.703 17.621 ( 2.272 0.000 6.627) 7.006 27.074 ( -2.879 -0.000 0.773) 2.981 27.096 ( -2.590 -0.000 25.308) 25.440 27.241 ( 0.522 0.000 3.320) 3.361 27.285 ( -4.404 -0.000 9.898) 10.834 29.630 ( 1.263 0.000 -0.953) 1.582 30.350 ( 2.600 0.000 -1.066) 2.810 31.024 ( -0.157 -0.000 -0.729) 0.745 32.003 ( -2.865 -0.000 -9.014) 9.458 ======================= Grid point 129 (48/155) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 4.478 -1.751 2.932) 5.632 1.363 ( 2.583 0.211 1.702) 3.101 1.408 ( -0.053 -0.944 14.077) 14.109 1.583 ( -3.057 -2.374 27.908) 28.176 1.747 ( 3.752 0.602 40.962) 41.137 1.908 ( 3.247 2.832 -0.332) 4.322 2.976 ( -3.647 -0.857 15.249) 15.703 3.681 ( -0.741 -0.225 0.950) 1.226 4.028 ( -0.528 -1.003 -5.575) 5.689 4.191 ( -0.248 2.648 4.105) 4.892 4.505 ( -1.111 -1.954 1.949) 2.975 4.689 ( 8.207 2.460 -8.111) 11.799 4.752 ( 6.035 -0.703 -6.795) 9.115 4.958 ( 20.215 -7.287 -6.939) 22.581 5.256 ( 3.114 4.571 4.569) 7.174 5.357 ( -0.338 7.846 -0.151) 7.855 5.432 ( -5.296 6.809 6.798) 10.983 5.783 ( 0.568 -13.688 -3.146) 14.056 6.331 ( -3.711 1.160 0.204) 3.894 6.487 ( -12.664 3.413 -2.914) 13.436 6.663 ( -2.548 -3.577 0.369) 4.407 7.273 ( -0.749 -0.128 -5.860) 5.909 10.635 ( -6.525 0.010 6.230) 9.022 11.052 ( 5.512 0.249 0.218) 5.522 11.642 ( -1.201 -0.286 -41.202) 41.220 12.094 ( 1.156 0.159 -31.932) 31.953 12.817 ( 0.552 1.179 15.990) 16.043 13.447 ( 1.410 0.302 -0.858) 1.678 14.611 ( 0.789 1.419 -2.223) 2.753 14.744 ( 0.052 -2.082 -6.112) 6.457 15.371 ( -0.427 -0.014 5.717) 5.733 15.725 ( -0.793 -0.454 1.166) 1.481 17.326 ( 3.107 -0.745 14.341) 14.692 17.664 ( 2.303 -0.479 7.096) 7.476 27.013 ( -3.371 0.639 4.537) 5.688 27.090 ( 0.825 -0.406 16.148) 16.175 27.218 ( -2.605 0.459 6.919) 7.407 27.256 ( 0.700 -0.413 3.626) 3.716 29.678 ( 4.512 0.222 -0.755) 4.581 30.418 ( 4.970 -0.272 -1.481) 5.194 30.975 ( -2.921 3.943 -0.450) 4.927 31.940 ( -6.503 -3.539 -7.308) 10.404 ======================= Grid point 130 (49/155) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.211 -0.090 3.414) 3.421 1.385 ( -1.233 0.511 0.930) 1.627 1.425 ( 1.114 -1.390 26.034) 26.095 1.569 ( -2.025 -3.092 23.661) 23.948 1.821 ( 4.887 -0.243 32.259) 32.628 1.932 ( 4.694 4.987 0.621) 6.877 2.907 ( -5.500 -2.697 16.255) 17.371 3.592 ( -9.505 -0.021 0.860) 9.544 4.012 ( -4.338 -0.449 -0.357) 4.376 4.172 ( 2.888 3.257 4.335) 6.143 4.525 ( -2.882 -10.247 4.634) 11.610 4.652 ( -15.386 2.150 -4.011) 16.045 4.831 ( 10.639 5.119 -13.118) 17.648 4.970 ( -19.031 10.451 -0.680) 21.723 5.235 ( 1.511 14.403 -2.980) 14.786 5.316 ( 8.163 -3.196 -10.088) 13.365 5.475 ( 8.970 -2.511 2.318) 9.599 5.951 ( 2.349 -11.326 -4.292) 12.337 6.262 ( 0.720 -2.539 -1.302) 2.942 6.410 ( 3.223 4.251 6.716) 8.577 6.673 ( -1.052 -4.819 1.549) 5.170 7.271 ( 0.449 -0.467 -4.274) 4.323 10.528 ( -6.794 -1.418 6.375) 9.424 11.131 ( 4.828 1.555 -0.964) 5.163 11.630 ( -0.938 -0.876 -41.544) 41.564 12.109 ( 1.009 0.487 -32.005) 32.024 12.813 ( 0.897 1.850 16.432) 16.560 13.472 ( 2.425 0.897 -0.883) 2.733 14.594 ( -0.907 1.414 -2.025) 2.631 14.752 ( -1.914 -1.945 -4.855) 5.569 15.370 ( 0.225 0.005 5.098) 5.103 15.723 ( -0.394 -0.960 0.875) 1.357 17.389 ( 3.616 -0.290 13.921) 14.386 17.705 ( 1.872 -0.240 7.364) 7.602 26.950 ( -3.479 -0.103 8.098) 8.814 27.120 ( 1.991 -0.015 9.369) 9.578 27.186 ( -1.020 -0.310 4.970) 5.083 27.280 ( 1.680 -0.343 5.474) 5.736 29.773 ( 7.595 1.833 -0.607) 7.837 30.517 ( 6.235 0.078 -1.828) 6.498 30.851 ( -5.216 5.761 -0.214) 7.774 31.865 ( -8.764 -7.227 -7.099) 13.395 ======================= Grid point 131 (50/155) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -1.655 0.901 4.833) 5.188 1.334 ( -3.128 0.371 3.418) 4.648 1.451 ( -0.226 -1.992 30.792) 30.857 1.564 ( -0.424 1.045 22.172) 22.201 1.906 ( 4.662 0.040 22.417) 22.897 1.963 ( 5.407 5.838 3.943) 8.880 2.878 ( -2.292 -5.098 13.909) 14.991 3.375 ( -15.536 0.577 2.379) 15.728 3.849 ( -13.273 3.312 -0.679) 13.697 4.168 ( -12.007 3.222 -2.219) 12.629 4.318 ( -7.138 -2.349 4.422) 8.719 4.470 ( -20.282 5.784 -0.364) 21.093 4.661 ( -1.622 -8.386 2.981) 9.046 4.898 ( 1.884 8.848 -10.656) 13.978 5.067 ( 1.392 12.813 -5.746) 14.112 5.405 ( 4.665 5.285 -6.779) 9.780 5.669 ( 8.629 -2.966 -0.055) 9.125 6.089 ( 3.557 -5.711 -4.132) 7.895 6.367 ( 2.647 -0.409 1.311) 2.982 6.467 ( 4.948 -6.861 0.987) 8.517 6.727 ( 1.866 -3.038 1.638) 3.923 7.314 ( 4.248 -1.004 -4.147) 6.021 10.439 ( -6.402 -3.239 6.608) 9.754 11.183 ( 3.934 2.876 -1.932) 5.242 11.630 ( -0.474 -1.503 -40.948) 40.978 12.119 ( 0.944 0.780 -31.698) 31.722 12.809 ( 1.156 2.368 16.677) 16.883 13.511 ( 3.702 1.696 -1.242) 4.257 14.551 ( -2.870 0.774 -2.140) 3.663 14.716 ( -3.692 -0.479 -4.123) 5.556 15.376 ( 0.492 -0.071 5.453) 5.476 15.732 ( 0.010 -1.338 0.781) 1.549 17.454 ( 3.819 0.117 13.161) 13.704 17.731 ( 1.405 0.549 7.116) 7.274 26.905 ( -2.382 -1.270 12.734) 13.017 27.144 ( 0.885 0.202 4.042) 4.143 27.190 ( 0.480 -0.894 3.097) 3.259 27.325 ( 2.949 -0.798 9.138) 9.635 29.887 ( 9.452 4.692 -0.569) 10.568 30.617 ( 4.690 -0.589 -1.330) 4.910 30.689 ( -5.326 6.675 -0.639) 8.563 31.806 ( -8.910 -10.470 -8.273) 16.046 ======================= Grid point 132 (51/155) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -6.300 3.813 1.704) 7.558 1.317 ( 0.455 -0.823 6.967) 7.030 1.461 ( -1.407 -2.078 31.548) 31.647 1.524 ( 0.185 5.538 23.788) 24.424 1.964 ( 1.948 2.797 19.820) 20.111 1.983 ( 6.096 6.838 6.079) 10.995 2.909 ( -4.364 -0.280 4.657) 6.388 3.052 ( -17.185 -1.526 8.671) 19.309 3.506 ( -18.217 3.417 -1.640) 18.607 3.881 ( -13.056 0.205 -8.084) 15.358 4.021 ( -21.121 6.639 1.256) 22.175 4.414 ( 6.886 -2.226 8.881) 11.456 4.693 ( -5.751 15.056 -0.760) 16.135 4.756 ( -2.073 -11.158 3.589) 11.903 5.066 ( 5.047 3.480 -15.102) 16.299 5.408 ( 4.923 8.798 -6.747) 12.131 5.826 ( 7.117 -2.222 0.773) 7.496 6.194 ( 3.723 -1.856 -4.866) 6.402 6.365 ( 0.206 2.329 7.379) 7.740 6.624 ( -1.603 -12.376 -5.282) 13.551 6.774 ( 1.787 0.895 0.996) 2.233 7.443 ( 8.186 -2.449 -7.454) 11.339 10.384 ( -5.126 -5.054 6.582) 9.754 11.203 ( 2.803 4.095 -2.198) 5.427 11.647 ( 0.210 -2.250 -39.894) 39.958 12.125 ( 0.934 1.029 -30.927) 30.958 12.801 ( 1.178 2.770 16.631) 16.901 13.560 ( 4.724 2.760 -2.247) 5.914 14.476 ( -5.582 -0.095 -2.606) 6.161 14.646 ( -3.583 1.346 -2.928) 4.819 15.387 ( 0.491 -0.413 6.597) 6.628 15.750 ( 0.272 -1.476 0.966) 1.785 17.515 ( 3.432 0.058 12.074) 12.552 17.743 ( 1.379 1.581 6.082) 6.433 26.905 ( -0.494 -3.728 18.880) 19.250 27.155 ( 0.532 -0.257 3.057) 3.114 27.207 ( 0.386 -0.538 0.557) 0.865 27.393 ( 3.308 -1.550 12.083) 12.624 29.979 ( 8.900 8.161 -0.609) 12.091 30.528 ( -6.533 2.734 1.196) 7.182 30.696 ( 4.504 1.533 -2.661) 5.451 31.792 ( -6.833 -12.132 -10.871) 17.665 ======================= Grid point 133 (52/155) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -8.322 7.741 3.495) 11.891 1.339 ( 0.884 -0.090 4.027) 4.124 1.398 ( -1.484 9.360 23.926) 25.735 1.507 ( 0.205 -2.169 32.307) 32.380 1.902 ( 0.320 11.095 20.456) 23.274 2.019 ( 4.505 4.662 11.419) 13.131 2.526 ( -20.510 6.367 2.864) 21.666 3.071 ( 2.057 -3.218 2.716) 4.687 3.256 ( -5.715 4.910 3.466) 8.293 3.618 ( -16.140 1.357 3.023) 16.476 3.729 ( -8.294 -0.449 -7.927) 11.481 4.442 ( -2.373 14.512 -1.701) 14.803 4.579 ( 6.696 -3.593 6.704) 10.134 4.819 ( -5.150 -12.426 1.055) 13.492 5.124 ( 3.447 -0.078 -15.410) 15.791 5.386 ( 3.507 9.154 -6.961) 12.022 5.975 ( 8.697 -0.659 1.937) 8.934 6.222 ( -1.790 1.854 -2.347) 3.485 6.371 ( 4.276 1.129 4.428) 6.258 6.647 ( -9.840 -10.453 -6.283) 15.671 6.773 ( 1.489 3.734 3.042) 5.041 7.606 ( 6.202 -2.882 -12.160) 13.951 10.376 ( -2.960 -6.462 5.799) 9.173 11.189 ( 1.398 5.278 -1.890) 5.778 11.686 ( 0.734 -3.319 -38.414) 38.564 12.128 ( 0.787 1.246 -29.863) 29.899 12.788 ( 0.762 2.867 16.183) 16.452 13.606 ( 4.357 3.817 -4.521) 7.348 14.369 ( -6.638 -0.350 -1.547) 6.825 14.579 ( -1.714 2.454 -1.801) 3.493 15.403 ( 0.339 -1.212 8.374) 8.468 15.770 ( 0.280 -1.340 1.431) 1.981 17.564 ( 1.955 -0.299 10.843) 11.022 17.748 ( 1.796 2.522 3.854) 4.943 26.976 ( 1.270 -8.527 26.208) 27.589 27.169 ( 0.379 -1.117 4.583) 4.732 27.215 ( 0.126 -0.200 -0.422) 0.483 27.463 ( 2.275 -2.354 14.573) 14.936 30.002 ( 5.168 10.392 -0.419) 11.614 30.417 ( -3.831 1.274 1.397) 4.273 30.743 ( 2.297 0.517 -2.162) 3.196 31.829 ( -3.601 -11.095 -14.840) 18.876 ======================= Grid point 134 (53/155) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 11.759 6.860) 13.614 1.241 ( 0.000 15.949 21.956) 27.138 1.349 ( 0.000 0.047 -0.694) 0.695 1.547 ( -0.000 -4.484 33.353) 33.653 1.755 ( 0.000 15.516 30.673) 34.374 2.023 ( 0.000 4.688 13.628) 14.412 2.260 ( 0.000 5.422 2.882) 6.141 3.080 ( 0.000 0.384 -6.011) 6.023 3.139 ( 0.000 12.679 11.763) 17.295 3.514 ( -0.000 -9.253 3.029) 9.737 3.655 ( 0.000 0.913 -7.889) 7.941 4.285 ( 0.000 11.293 -4.768) 12.259 4.698 ( -0.000 -3.280 2.924) 4.394 4.899 ( -0.000 -15.028 -1.989) 15.159 5.165 ( -0.000 -1.139 -14.081) 14.127 5.323 ( 0.000 8.790 -7.788) 11.744 6.094 ( 0.000 6.512 6.667) 9.320 6.128 ( -0.000 -0.893 -3.878) 3.980 6.453 ( 0.000 1.904 0.870) 2.093 6.576 ( -0.000 -3.961 -8.673) 9.535 6.758 ( -0.000 -0.237 7.790) 7.794 7.679 ( -0.000 -0.256 -16.278) 16.280 10.424 ( -0.000 -7.288 4.598) 8.617 11.139 ( 0.000 6.230 -1.506) 6.410 11.735 ( -0.000 -4.294 -36.350) 36.602 12.122 ( 0.000 1.525 -28.988) 29.028 12.766 ( 0.000 2.271 15.453) 15.619 13.605 ( 0.000 4.311 -7.118) 8.322 14.301 ( 0.000 0.077 0.560) 0.565 14.538 ( 0.000 2.538 -1.418) 2.907 15.426 ( -0.000 -2.648 10.541) 10.868 15.786 ( -0.000 -0.970 2.015) 2.237 17.584 ( -0.000 -0.261 9.873) 9.876 17.736 ( 0.000 4.055 0.450) 4.080 27.104 ( -0.000 -9.093 16.450) 18.796 27.211 ( -0.000 -6.939 17.297) 18.637 27.218 ( -0.000 -2.587 5.814) 6.363 27.518 ( -0.000 -4.362 19.422) 19.906 29.937 ( 0.000 9.416 0.415) 9.426 30.373 ( 0.000 0.743 1.359) 1.549 30.760 ( 0.000 0.346 -1.908) 1.939 31.896 ( -0.000 -6.872 -19.625) 20.793 ======================= Grid point 139 (54/155) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.836 0.000 1.482) 1.701 1.380 ( -2.331 -0.000 12.888) 13.097 1.439 ( 5.093 0.000 5.100) 7.208 1.506 ( -3.847 -0.000 30.688) 30.928 1.820 ( 4.416 0.000 37.453) 37.712 1.994 ( 4.891 0.000 -0.926) 4.978 2.876 ( -6.575 -0.000 16.367) 17.638 3.590 ( -9.376 -0.000 0.811) 9.411 4.004 ( -2.014 -0.000 0.326) 2.040 4.246 ( 3.542 0.000 5.003) 6.130 4.368 ( -5.955 -0.000 4.261) 7.323 4.678 ( -16.488 -0.000 -4.146) 17.001 4.907 ( 10.261 0.000 -14.393) 17.677 5.111 ( -20.921 -0.000 1.505) 20.975 5.242 ( 17.096 0.000 -10.021) 19.817 5.414 ( 7.629 0.000 -1.036) 7.699 5.568 ( 4.086 0.000 -4.915) 6.391 5.667 ( 0.080 0.000 -1.260) 1.262 6.249 ( -1.958 -0.000 -0.969) 2.185 6.493 ( 6.270 0.000 7.087) 9.463 6.586 ( -3.690 -0.000 1.787) 4.100 7.265 ( 0.270 0.000 -3.942) 3.952 10.513 ( -7.432 -0.000 6.565) 9.916 11.149 ( 5.296 0.000 -0.706) 5.343 11.619 ( -1.186 -0.000 -42.790) 42.806 12.114 ( 1.074 0.000 -32.041) 32.059 12.836 ( 0.905 0.000 16.736) 16.760 13.483 ( 2.675 0.000 -0.841) 2.804 14.615 ( -1.495 -0.000 -2.410) 2.836 14.724 ( -0.914 -0.000 -3.868) 3.974 15.371 ( 0.325 0.000 4.301) 4.313 15.711 ( -0.561 -0.000 0.702) 0.899 17.385 ( 3.988 0.000 13.946) 14.505 17.701 ( 2.143 0.000 7.863) 8.149 26.950 ( -3.908 -0.000 7.764) 8.693 27.120 ( 2.353 0.000 9.608) 9.892 27.183 ( -1.583 -0.000 4.570) 4.836 27.276 ( 1.634 0.000 5.543) 5.779 29.793 ( 8.623 0.000 -0.905) 8.671 30.515 ( 5.930 0.000 -0.564) 5.957 30.930 ( -4.348 -0.000 -2.153) 4.852 31.772 ( -10.490 -0.000 -6.203) 12.186 ======================= Grid point 140 (55/155) ======================= q-point: (-0.60 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.400 0.515 2.075) 2.175 1.335 ( -3.065 -0.242 8.448) 8.990 1.440 ( -1.382 0.983 30.917) 30.964 1.538 ( 3.022 -2.455 13.497) 14.047 1.896 ( 4.181 -0.247 31.519) 31.796 2.071 ( 5.986 3.071 -0.077) 6.729 2.791 ( -3.864 -2.376 15.624) 16.270 3.385 ( -13.958 0.255 1.270) 14.018 3.913 ( -8.317 2.148 0.931) 8.640 4.222 ( -27.790 1.162 -2.596) 27.935 4.276 ( -1.834 -0.001 5.177) 5.492 4.387 ( -1.264 -6.547 3.720) 7.635 4.730 ( -16.713 6.162 1.120) 17.847 5.003 ( 2.207 1.832 -14.438) 14.721 5.429 ( 1.305 18.282 -3.979) 18.756 5.482 ( 10.397 2.361 -9.579) 14.333 5.579 ( 7.239 -3.405 -3.598) 8.772 5.841 ( 1.994 -16.635 -4.467) 17.339 6.293 ( 4.884 -1.956 -0.229) 5.266 6.498 ( -1.357 3.771 5.068) 6.461 6.655 ( 6.637 -3.286 4.948) 8.907 7.297 ( 3.535 -0.476 -3.242) 4.820 10.393 ( -7.164 -1.118 7.032) 10.101 11.226 ( 4.373 1.099 -1.685) 4.814 11.605 ( -0.900 -0.697 -43.339) 43.354 12.130 ( 0.911 0.263 -32.009) 32.023 12.849 ( 1.342 1.119 17.384) 17.471 13.538 ( 4.304 0.733 -1.103) 4.503 14.564 ( -4.014 0.374 -2.157) 4.572 14.705 ( -1.775 -0.376 -2.838) 3.368 15.379 ( 0.644 0.149 3.774) 3.831 15.708 ( -0.277 -0.725 0.351) 0.852 17.454 ( 3.867 -0.041 13.307) 13.858 17.734 ( 1.601 -0.072 8.234) 8.389 26.890 ( -3.109 -0.295 10.887) 11.326 27.153 ( 1.138 0.628 3.802) 4.018 27.171 ( 0.269 -0.850 3.448) 3.562 27.313 ( 2.492 -0.328 8.369) 8.738 29.961 ( 11.791 1.928 -1.200) 12.008 30.587 ( 0.698 -0.929 1.743) 2.095 30.852 ( -0.189 5.776 -5.021) 7.656 31.604 ( -12.678 -6.649 -6.197) 15.599 ======================= Grid point 141 (56/155) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -3.584 2.571 0.719) 4.469 1.302 ( -0.193 -0.592 7.311) 7.337 1.425 ( -0.677 -0.887 33.004) 33.023 1.595 ( 2.323 0.823 18.691) 18.852 1.964 ( 3.074 -0.712 24.832) 25.032 2.129 ( 5.919 5.341 1.605) 8.133 2.813 ( 1.549 -5.426 11.486) 12.797 3.105 ( -17.627 3.777 2.019) 18.140 3.579 ( -24.338 3.521 -0.916) 24.609 3.841 ( -12.908 -3.014 -5.429) 14.324 4.142 ( -21.323 0.994 5.197) 21.969 4.401 ( 6.518 2.665 8.206) 10.813 4.591 ( 0.262 -2.944 2.646) 3.967 4.958 ( -3.159 4.506 -11.400) 12.659 5.242 ( 0.438 16.606 -5.446) 17.482 5.577 ( 6.618 6.263 -7.863) 12.035 5.727 ( 4.178 -5.618 -0.744) 7.041 6.039 ( 2.276 -13.391 -6.294) 14.970 6.413 ( 4.295 -3.023 -2.650) 5.883 6.435 ( -2.929 0.484 4.488) 5.382 6.785 ( 5.918 0.044 3.559) 6.906 7.397 ( 6.539 -1.636 -4.845) 8.301 10.301 ( -5.756 -2.689 7.505) 9.833 11.272 ( 3.142 2.305 -2.430) 4.592 11.605 ( -0.448 -1.554 -42.971) 43.002 12.140 ( 0.761 0.437 -31.682) 31.694 12.856 ( 1.458 2.064 17.764) 17.943 13.611 ( 5.671 1.847 -1.903) 6.260 14.474 ( -6.283 -0.100 -1.730) 6.518 14.670 ( -1.973 0.825 -2.263) 3.113 15.387 ( 0.595 0.261 4.113) 4.164 15.717 ( -0.024 -1.419 0.216) 1.435 17.514 ( 3.096 -0.079 12.471) 12.849 17.756 ( 1.085 0.058 8.063) 8.136 26.855 ( -1.804 -1.252 14.372) 14.539 27.156 ( 0.299 0.253 2.451) 2.482 27.194 ( 0.812 -0.611 0.851) 1.326 27.365 ( 2.748 -0.963 10.611) 11.003 30.135 ( 12.762 5.814 -1.515) 14.105 30.542 ( -5.993 -0.738 2.039) 6.373 30.811 ( 3.350 8.310 -4.843) 10.185 31.509 ( -10.386 -13.421 -7.895) 18.717 ======================= Grid point 142 (57/155) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -4.310 5.585 1.548) 7.222 1.322 ( 0.868 -1.166 2.858) 3.206 1.429 ( -0.250 -1.277 35.083) 35.107 1.594 ( 1.096 4.935 24.160) 24.683 2.009 ( 1.527 0.115 19.665) 19.724 2.150 ( 4.051 6.912 4.384) 9.133 2.697 ( -18.760 8.934 1.712) 20.849 2.936 ( 3.377 -7.137 1.969) 8.138 3.292 ( -6.646 -1.325 4.541) 8.158 3.704 ( -6.773 -1.416 -8.620) 11.053 3.735 ( -19.241 6.111 8.000) 21.716 4.502 ( 5.110 -1.834 6.726) 8.644 4.634 ( -0.945 -4.074 2.937) 5.111 4.802 ( -2.466 14.640 -2.704) 15.090 5.138 ( 0.513 4.159 -11.520) 12.258 5.580 ( 3.148 8.324 -6.347) 10.931 5.866 ( 3.856 -8.299 2.844) 9.583 6.200 ( 3.032 -8.010 -7.830) 11.605 6.364 ( -4.212 0.308 2.527) 4.921 6.490 ( 0.125 -2.777 -3.111) 4.172 6.845 ( 2.757 2.646 2.371) 4.497 7.533 ( 5.460 -3.330 -7.413) 9.791 10.260 ( -3.240 -4.278 7.452) 9.183 11.283 ( 1.668 3.441 -2.470) 4.552 11.623 ( -0.026 -2.482 -42.158) 42.231 12.146 ( 0.525 0.536 -31.048) 31.057 12.852 ( 1.000 2.774 17.674) 17.918 13.681 ( 5.140 3.115 -3.667) 7.040 14.363 ( -6.287 -0.212 -0.516) 6.312 14.627 ( -1.188 1.923 -1.852) 2.922 15.393 ( 0.327 0.113 5.153) 5.165 15.735 ( 0.092 -1.806 0.387) 1.849 17.558 ( 1.742 -0.252 11.556) 11.689 17.771 ( 0.780 0.159 7.231) 7.274 26.858 ( -0.505 -3.147 18.748) 19.017 27.160 ( 0.276 -0.064 2.235) 2.253 27.209 ( 0.332 -0.355 -0.426) 0.647 27.420 ( 1.814 -1.665 12.036) 12.285 30.239 ( 8.992 11.158 -1.782) 14.441 30.442 ( -4.626 1.031 1.128) 4.872 30.777 ( 0.367 3.089 -2.537) 4.014 31.538 ( -4.784 -15.481 -10.776) 19.459 ======================= Grid point 143 (58/155) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.000 8.758 3.016) 9.263 1.342 ( -0.000 -0.831 -0.607) 1.029 1.439 ( -0.000 -0.253 36.161) 36.161 1.534 ( 0.000 6.758 26.882) 27.718 1.998 ( 0.000 5.171 17.956) 18.686 2.119 ( 0.000 5.716 8.754) 10.455 2.418 ( 0.000 9.140 2.027) 9.363 3.027 ( -0.000 -5.587 -6.526) 8.591 3.347 ( -0.000 -5.866 7.138) 9.239 3.412 ( 0.000 11.617 12.132) 16.797 3.655 ( -0.000 -0.706 -9.313) 9.340 4.581 ( 0.000 10.558 -3.089) 11.000 4.635 ( -0.000 -2.404 1.882) 3.053 4.644 ( -0.000 -1.967 7.402) 7.659 5.137 ( -0.000 -1.194 -13.894) 13.945 5.515 ( 0.000 8.966 -6.091) 10.839 6.013 ( -0.000 -9.321 4.816) 10.491 6.236 ( 0.000 6.439 0.183) 6.442 6.378 ( -0.000 -11.601 -9.880) 15.237 6.487 ( 0.000 1.083 0.078) 1.086 6.830 ( 0.000 3.967 2.480) 4.679 7.624 ( -0.000 -3.874 -9.639) 10.388 10.285 ( -0.000 -5.571 6.661) 8.684 11.255 ( 0.000 4.526 -2.169) 5.019 11.654 ( -0.000 -3.300 -40.702) 40.835 12.145 ( 0.000 0.717 -30.317) 30.325 12.829 ( 0.000 3.170 17.062) 17.354 13.693 ( 0.000 3.925 -5.599) 6.838 14.301 ( -0.000 -0.048 0.825) 0.826 14.593 ( 0.000 2.470 -1.645) 2.967 15.397 ( -0.000 -0.406 6.681) 6.693 15.756 ( -0.000 -1.768 0.852) 1.963 17.576 ( -0.000 -0.354 10.851) 10.857 17.776 ( 0.000 0.466 5.659) 5.678 26.904 ( -0.000 -6.070 23.633) 24.400 27.165 ( -0.000 -0.381 2.530) 2.559 27.214 ( -0.000 -0.212 -0.727) 0.757 27.457 ( -0.000 -2.201 13.349) 13.529 30.181 ( 0.000 13.230 -1.512) 13.316 30.390 ( 0.000 0.769 1.355) 1.558 30.768 ( 0.000 0.365 -1.848) 1.884 31.659 ( -0.000 -14.244 -13.422) 19.572 ======================= Grid point 150 (59/155) ======================= q-point: ( 0.40 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.815 -0.000 0.429) 0.921 1.290 ( -2.292 -0.000 4.875) 5.387 1.420 ( -0.646 -0.000 38.163) 38.168 1.591 ( 3.539 0.000 12.393) 12.888 1.957 ( 3.129 0.000 28.881) 29.050 2.189 ( 5.687 0.000 0.138) 5.689 2.750 ( 0.705 0.000 12.495) 12.515 3.150 ( -13.258 -0.000 1.512) 13.343 3.632 ( -33.453 -0.000 -0.809) 33.463 3.793 ( -7.651 -0.000 -3.646) 8.475 4.124 ( -17.498 -0.000 5.999) 18.498 4.437 ( 6.869 0.000 6.529) 9.477 4.597 ( -2.531 -0.000 5.257) 5.835 4.977 ( -4.410 -0.000 -16.225) 16.813 5.624 ( 3.043 0.000 -4.753) 5.643 5.655 ( 6.376 0.000 -7.833) 10.100 5.671 ( 0.170 0.000 0.451) 0.482 5.682 ( 2.767 0.000 -5.788) 6.416 6.370 ( 5.088 0.000 -2.429) 5.638 6.464 ( -2.882 -0.000 2.504) 3.818 6.783 ( 7.792 0.000 5.111) 9.319 7.379 ( 5.953 0.000 -4.218) 7.296 10.272 ( -5.984 -0.000 7.868) 9.885 11.298 ( 3.206 0.000 -2.211) 3.895 11.587 ( -0.623 -0.000 -44.396) 44.401 12.145 ( 0.678 0.000 -31.971) 31.978 12.880 ( 1.453 0.000 18.200) 18.258 13.632 ( 6.001 0.000 -1.738) 6.248 14.473 ( -6.497 -0.000 -1.370) 6.640 14.679 ( -1.355 -0.000 -2.104) 2.503 15.392 ( 0.677 0.000 3.101) 3.174 15.700 ( -0.148 -0.000 -0.060) 0.160 17.513 ( 3.041 0.000 12.672) 13.032 17.756 ( 1.009 0.000 8.729) 8.787 26.843 ( -2.114 -0.000 12.960) 13.131 27.160 ( -0.018 -0.000 2.596) 2.596 27.186 ( 1.202 0.000 0.786) 1.436 27.355 ( 2.547 0.000 10.120) 10.435 30.201 ( 14.696 0.000 -2.099) 14.845 30.529 ( -5.241 -0.000 2.435) 5.779 30.950 ( 5.748 0.000 -7.084) 9.122 31.316 ( -15.664 -0.000 -5.341) 16.550 ======================= Grid point 152 (60/155) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -1.972 3.549 0.590) 4.103 1.289 ( -0.205 -2.052 1.151) 2.362 1.420 ( 0.439 0.240 39.747) 39.751 1.640 ( 1.984 0.058 16.248) 16.369 2.000 ( 1.687 -0.197 25.439) 25.496 2.257 ( 3.747 2.670 0.832) 4.675 2.777 ( -3.568 -2.153 0.545) 4.203 2.923 ( -7.857 5.983 2.647) 10.224 3.221 ( -12.189 -4.173 6.078) 14.245 3.684 ( -5.172 -0.294 -8.231) 9.725 3.795 ( -18.575 0.197 9.819) 21.012 4.536 ( 5.155 2.659 8.545) 10.328 4.591 ( 0.875 0.109 5.190) 5.264 4.908 ( -3.412 -1.204 -15.051) 15.479 5.448 ( 0.008 20.833 -3.700) 21.159 5.701 ( 1.056 -3.848 2.126) 4.521 5.713 ( 1.804 2.112 -3.961) 4.838 5.892 ( 0.950 -18.420 -6.329) 19.500 6.410 ( -0.961 2.575 -1.241) 3.015 6.458 ( 2.640 -1.457 -2.756) 4.085 6.883 ( 4.094 0.919 3.158) 5.251 7.481 ( 4.653 -1.314 -6.142) 7.817 10.198 ( -3.419 -1.493 8.487) 9.271 11.333 ( 1.697 1.210 -2.572) 3.311 11.585 ( -0.271 -0.957 -44.471) 44.482 12.153 ( 0.392 0.143 -31.769) 31.772 12.895 ( 0.976 1.093 18.608) 18.665 13.730 ( 5.603 1.234 -3.055) 6.500 14.360 ( -6.167 -0.089 -0.013) 6.168 14.656 ( -0.862 0.724 -1.915) 2.221 15.399 ( 0.400 0.285 3.170) 3.208 15.703 ( -0.034 -0.925 -0.228) 0.954 17.554 ( 1.664 -0.084 12.086) 12.200 17.769 ( 0.483 -0.151 8.735) 8.750 26.820 ( -0.973 -0.748 14.971) 15.022 27.161 ( 0.165 0.094 2.288) 2.296 27.202 ( 0.525 -0.222 -0.464) 0.736 27.395 ( 1.614 -0.633 10.935) 11.072 30.422 ( 7.775 4.545 -0.769) 9.039 30.459 ( 3.205 0.730 -0.774) 3.377 30.910 ( -5.244 10.232 -4.360) 12.296 31.198 ( -6.016 -15.690 -7.532) 18.414 ======================= Grid point 153 (61/155) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 5.589 0.953) 5.670 1.312 ( -0.000 -2.017 -0.376) 2.052 1.422 ( -0.000 -0.026 39.210) 39.210 1.647 ( 0.000 2.334 21.492) 21.618 2.018 ( -0.000 -0.576 21.606) 21.613 2.250 ( 0.000 4.974 2.420) 5.532 2.621 ( 0.000 8.637 -1.730) 8.809 2.900 ( -0.000 -4.232 -2.451) 4.891 3.229 ( -0.000 -6.037 9.114) 10.932 3.579 ( 0.000 3.662 13.260) 13.756 3.642 ( -0.000 -0.302 -9.953) 9.957 4.543 ( 0.000 2.123 1.589) 2.652 4.611 ( -0.000 -1.093 9.541) 9.603 4.880 ( 0.000 3.184 -9.811) 10.314 5.242 ( 0.000 15.899 -5.339) 16.771 5.681 ( 0.000 5.951 -5.037) 7.797 5.789 ( -0.000 -9.900 6.155) 11.657 6.087 ( -0.000 -16.161 -8.408) 18.217 6.357 ( 0.000 4.796 -2.566) 5.440 6.493 ( -0.000 -0.599 -2.096) 2.180 6.899 ( 0.000 2.374 2.185) 3.227 7.547 ( -0.000 -2.845 -7.137) 7.684 10.192 ( -0.000 -3.004 8.310) 8.837 11.329 ( 0.000 2.368 -2.542) 3.474 11.598 ( -0.000 -1.901 -43.797) 43.839 12.155 ( 0.000 0.255 -31.410) 31.411 12.887 ( 0.000 2.040 18.413) 18.525 13.765 ( 0.000 2.524 -4.432) 5.100 14.300 ( -0.000 -0.105 1.052) 1.057 14.636 ( 0.000 1.500 -1.826) 2.363 15.399 ( 0.000 0.382 3.912) 3.931 15.717 ( -0.000 -1.618 -0.071) 1.620 17.570 ( -0.000 -0.199 11.647) 11.649 17.776 ( -0.000 -0.278 8.220) 8.225 26.826 ( -0.000 -1.898 17.051) 17.157 27.162 ( 0.000 0.035 2.154) 2.154 27.209 ( -0.000 -0.266 -0.752) 0.797 27.419 ( -0.000 -1.282 11.525) 11.596 30.404 ( 0.000 0.487 1.350) 1.435 30.488 ( 0.000 15.027 -3.987) 15.547 30.774 ( 0.000 0.236 -1.803) 1.819 31.326 ( -0.000 -16.136 -9.719) 18.836 ======================= Grid point 163 (62/155) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.000 -0.000 -0.325) 0.325 1.260 ( 0.000 0.000 0.376) 0.376 1.429 ( -0.000 -0.000 42.024) 42.024 1.657 ( -0.000 -0.000 14.804) 14.804 2.014 ( -0.000 -0.000 25.956) 25.956 2.305 ( -0.000 -0.000 0.401) 0.401 2.710 ( -0.000 -0.000 -7.452) 7.452 2.888 ( -0.000 -0.000 1.200) 1.200 3.132 ( 0.000 0.000 11.873) 11.873 3.606 ( -0.000 -0.000 13.674) 13.674 3.640 ( -0.000 -0.000 -9.929) 9.929 4.599 ( -0.000 -0.000 10.102) 10.102 4.605 ( -0.000 -0.000 6.153) 6.153 4.864 ( -0.000 -0.000 -17.001) 17.001 5.636 ( -0.000 -0.000 -3.658) 3.658 5.669 ( -0.000 -0.000 6.281) 6.281 5.726 ( 0.000 0.000 -6.056) 6.056 5.747 ( -0.000 -0.000 -4.593) 4.593 6.423 ( -0.000 -0.000 -1.429) 1.429 6.473 ( -0.000 -0.000 -5.044) 5.044 6.925 ( -0.000 -0.000 2.487) 2.487 7.515 ( -0.000 -0.000 -6.926) 6.926 10.160 ( -0.000 -0.000 8.955) 8.955 11.354 ( -0.000 -0.000 -2.662) 2.662 11.577 ( -0.000 -0.000 -44.943) 44.943 12.157 ( -0.000 -0.000 -31.816) 31.816 12.910 ( -0.000 -0.000 18.932) 18.932 13.793 ( -0.000 -0.000 -3.970) 3.970 14.298 ( -0.000 -0.000 1.142) 1.142 14.653 ( -0.000 -0.000 -1.894) 1.894 15.405 ( -0.000 -0.000 2.833) 2.833 15.698 ( -0.000 -0.000 -0.393) 0.393 17.568 ( -0.000 -0.000 11.969) 11.969 17.772 ( -0.000 -0.000 8.971) 8.971 26.808 ( -0.000 -0.000 15.108) 15.108 27.163 ( -0.000 -0.000 2.266) 2.266 27.205 ( -0.000 -0.000 -0.798) 0.798 27.405 ( -0.000 -0.000 10.955) 10.955 30.409 ( -0.000 -0.000 1.347) 1.347 30.724 ( -0.000 -0.000 -6.314) 6.314 30.777 ( -0.000 -0.000 -1.787) 1.787 31.077 ( -0.000 -0.000 -7.162) 7.162 ======================= Grid point 210 (63/155) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 0.000 17.090) 17.090 0.774 ( 0.000 0.000 19.945) 19.945 1.321 ( 0.000 0.000 -1.356) 1.356 1.751 ( 0.000 0.000 -4.797) 4.797 2.266 ( 0.000 0.000 7.830) 7.830 2.484 ( 0.000 0.000 54.734) 54.734 2.659 ( 0.000 0.000 39.617) 39.617 2.939 ( 0.000 0.000 -3.435) 3.435 3.241 ( 0.000 0.000 19.996) 19.996 3.413 ( 0.000 0.000 -10.401) 10.401 3.665 ( 0.000 0.000 18.144) 18.144 3.673 ( 0.000 0.000 -13.531) 13.531 4.733 ( 0.000 0.000 -4.604) 4.604 4.971 ( 0.000 0.000 1.510) 1.510 5.129 ( 0.000 0.000 -7.583) 7.583 5.540 ( 0.000 0.000 -13.538) 13.538 5.587 ( 0.000 0.000 4.210) 4.210 6.040 ( 0.000 0.000 -9.378) 9.378 6.243 ( 0.000 0.000 12.809) 12.809 6.412 ( 0.000 0.000 1.254) 1.254 7.220 ( 0.000 0.000 5.430) 5.430 7.373 ( 0.000 0.000 3.423) 3.423 10.733 ( 0.000 0.000 2.526) 2.526 10.899 ( 0.000 0.000 -0.030) 0.030 11.245 ( 0.000 0.000 -39.568) 39.568 11.286 ( 0.000 0.000 -41.728) 41.728 12.918 ( 0.000 0.000 4.330) 4.330 13.337 ( 0.000 0.000 -4.743) 4.743 14.307 ( 0.000 0.000 0.727) 0.727 14.443 ( 0.000 0.000 -1.969) 1.969 15.793 ( 0.000 0.000 4.139) 4.139 15.857 ( 0.000 0.000 3.469) 3.469 17.546 ( 0.000 0.000 16.899) 16.899 17.806 ( 0.000 0.000 10.646) 10.646 27.145 ( 0.000 0.000 0.566) 0.566 27.222 ( 0.000 0.000 0.315) 0.315 27.829 ( 0.000 0.000 18.163) 18.163 29.274 ( 0.000 0.000 -16.660) 16.660 30.381 ( 0.000 0.000 7.443) 7.443 30.394 ( 0.000 0.000 2.644) 2.644 30.697 ( 0.000 0.000 -3.523) 3.523 30.816 ( 0.000 0.000 -5.148) 5.148 ======================= Grid point 211 (64/155) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 6.660 -6.337 14.744) 17.376 0.918 ( 10.091 -8.756 12.611) 18.372 1.327 ( 0.531 -0.320 -1.121) 1.281 1.750 ( -0.266 -0.527 -3.923) 3.967 2.364 ( 6.987 -1.923 21.512) 22.700 2.559 ( 7.372 3.557 34.890) 35.838 2.660 ( 1.957 -3.312 36.928) 37.128 3.042 ( 10.528 -1.254 -2.299) 10.849 3.285 ( 6.505 1.103 21.797) 22.774 3.516 ( 10.940 -0.885 -9.789) 14.707 3.652 ( 1.008 -1.716 -4.069) 4.529 3.808 ( 6.236 -7.646 2.241) 10.118 4.719 ( -1.225 0.019 0.132) 1.232 4.911 ( -6.488 0.291 -1.772) 6.732 5.137 ( 5.484 6.608 -4.290) 9.599 5.542 ( 2.717 8.887 6.194) 11.168 5.630 ( 0.896 -10.523 -14.003) 17.539 6.049 ( -4.922 -2.786 -0.737) 5.704 6.272 ( 3.201 -3.543 3.610) 5.986 6.460 ( 4.394 -1.754 -2.439) 5.323 7.156 ( -3.893 4.850 3.252) 7.018 7.356 ( -3.767 -1.777 0.394) 4.184 10.732 ( 2.756 3.968 3.258) 5.827 10.918 ( -0.744 -3.474 -3.430) 4.938 11.184 ( -1.633 4.899 -35.552) 35.926 11.314 ( -0.816 -3.532 -41.220) 41.379 12.923 ( 0.561 -0.047 4.551) 4.585 13.349 ( 0.232 -1.682 -5.034) 5.313 14.335 ( 2.967 -0.194 -0.905) 3.107 14.456 ( 1.034 -0.808 -2.111) 2.485 15.743 ( -3.165 2.807 6.115) 7.436 15.853 ( -0.916 -0.346 3.278) 3.421 17.574 ( -0.078 -4.872 15.221) 15.982 17.789 ( -1.702 -0.117 11.040) 11.171 27.142 ( -0.361 0.008 0.722) 0.807 27.223 ( 0.089 0.025 0.317) 0.330 27.796 ( -2.885 1.494 17.632) 17.929 28.921 ( -27.126 20.705 4.677) 34.443 29.889 ( -16.323 3.667 15.072) 22.518 30.386 ( -2.178 -2.009 1.546) 3.342 30.792 ( 6.009 7.166 -3.094) 9.851 31.282 ( 20.269 -14.582 -19.052) 31.408 ======================= Grid point 212 (65/155) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 7.249 -6.819 8.525) 13.105 1.197 ( 8.560 -10.411 6.134) 14.808 1.350 ( 1.412 -1.597 -0.188) 2.140 1.754 ( 0.077 -0.311 -1.717) 1.747 2.457 ( 0.319 -1.300 40.401) 40.423 2.574 ( 1.327 1.017 36.819) 36.857 2.862 ( 14.371 -1.714 7.578) 16.337 3.293 ( 14.290 -3.723 -0.618) 14.780 3.452 ( 14.854 1.556 19.213) 24.335 3.718 ( 9.506 2.712 -9.364) 13.616 3.786 ( 14.970 -2.642 -7.242) 16.838 4.009 ( 5.204 -11.399 -1.774) 12.656 4.690 ( -3.129 1.381 8.214) 8.898 4.805 ( -2.898 -0.406 -1.540) 3.306 5.152 ( 2.140 3.487 -0.881) 4.185 5.490 ( 5.147 12.977 6.692) 15.481 5.759 ( -0.834 -11.033 -9.851) 14.814 5.934 ( -8.273 -0.212 4.425) 9.384 6.362 ( 2.548 -1.617 -1.517) 3.378 6.590 ( 5.151 -5.179 -7.395) 10.394 6.987 ( -9.298 6.172 -2.859) 11.521 7.282 ( -5.837 -0.766 -3.554) 6.877 10.747 ( 4.245 4.818 4.587) 7.891 10.918 ( -2.456 -0.837 -16.442) 16.645 11.121 ( -1.361 1.071 -20.851) 20.923 11.326 ( -1.208 -2.181 -41.720) 41.795 12.936 ( 0.850 0.034 5.258) 5.326 13.372 ( -0.036 -1.857 -4.989) 5.324 14.402 ( 4.231 -0.319 -3.384) 5.427 14.496 ( 2.194 -1.712 -2.955) 4.059 15.654 ( -3.484 2.319 8.259) 9.259 15.833 ( -1.396 0.081 2.865) 3.188 17.632 ( -0.855 -6.550 13.356) 14.900 17.766 ( -0.738 -0.263 10.968) 10.996 27.132 ( -0.683 0.121 1.283) 1.459 27.225 ( 0.211 0.019 0.342) 0.402 27.703 ( -5.094 2.929 16.455) 17.473 28.223 ( -24.026 17.920 27.418) 40.622 29.740 ( -5.639 -3.282 5.983) 8.852 30.365 ( -3.255 -3.018 -1.171) 4.591 30.823 ( 6.089 6.380 -0.036) 8.820 31.632 ( 10.541 -4.578 -19.989) 23.057 ======================= Grid point 213 (66/155) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 5.498 -3.452 3.852) 7.549 1.336 ( 1.175 -1.520 0.400) 1.963 1.476 ( 4.563 -10.645 4.324) 12.362 1.758 ( 0.350 0.369 0.690) 0.857 2.426 ( -1.521 2.541 38.011) 38.126 2.592 ( -0.292 -1.204 42.239) 42.258 3.128 ( 13.116 -2.547 6.601) 14.903 3.540 ( 9.124 -3.508 7.267) 12.180 3.743 ( 17.460 -0.629 4.467) 18.034 3.893 ( 14.577 1.615 -11.755) 18.796 4.034 ( 7.708 -5.957 -7.770) 12.461 4.269 ( 14.703 -5.851 -0.366) 15.829 4.574 ( -6.714 0.812 2.918) 7.365 4.830 ( 3.322 1.609 5.791) 6.868 5.147 ( -0.163 -0.977 1.970) 2.205 5.435 ( 5.199 14.610 7.896) 17.402 5.722 ( -11.061 -1.900 4.391) 12.052 5.897 ( -1.068 -7.069 -8.426) 11.051 6.395 ( 1.262 1.442 -4.347) 4.751 6.685 ( -5.665 -1.862 5.100) 7.847 6.736 ( -6.196 3.167 -14.505) 16.088 7.198 ( -4.571 -0.693 -6.126) 7.674 10.765 ( 3.618 4.583 6.451) 8.701 10.864 ( -2.536 1.559 -28.813) 28.966 11.111 ( -1.080 -2.249 -8.714) 9.064 11.324 ( -0.875 -1.042 -42.922) 42.943 12.950 ( 0.767 0.066 6.134) 6.182 13.384 ( -0.357 -1.171 -4.413) 4.580 14.471 ( 3.206 -0.296 -3.284) 4.599 14.565 ( 3.188 -2.067 -5.293) 6.516 15.584 ( -2.477 1.227 8.664) 9.094 15.808 ( -1.289 0.261 2.279) 2.631 17.667 ( -1.877 -4.354 14.367) 15.129 17.781 ( 1.189 -1.528 9.228) 9.429 27.116 ( -0.871 0.307 2.453) 2.621 27.230 ( 0.348 -0.039 0.474) 0.589 27.567 ( -5.847 4.417 16.168) 17.751 27.780 ( -12.214 8.212 25.629) 29.555 29.703 ( -3.567 -3.647 3.238) 6.042 30.343 ( -2.991 -2.829 -4.241) 5.911 30.859 ( 5.311 5.269 3.390) 8.214 31.788 ( 5.526 -0.520 -16.852) 17.742 ======================= Grid point 214 (67/155) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 2.247 -1.126 1.736) 3.055 1.358 ( 0.992 -0.463 0.062) 1.097 1.637 ( 1.899 -8.114 3.939) 9.217 1.756 ( 0.480 1.180 2.272) 2.605 2.379 ( -0.649 2.346 37.087) 37.166 2.588 ( -0.989 -0.565 42.445) 42.461 3.338 ( 8.757 -1.223 15.915) 18.206 3.673 ( 4.246 -0.168 6.889) 8.094 3.956 ( 4.781 -2.343 -1.680) 5.583 4.103 ( 7.740 -3.379 -4.717) 9.673 4.270 ( 7.661 -6.061 -5.389) 11.156 4.473 ( 4.101 -1.573 -8.372) 9.454 4.606 ( 14.807 1.115 2.562) 15.069 4.837 ( 1.494 2.163 -1.698) 3.129 5.185 ( 0.346 -4.079 2.379) 4.734 5.325 ( -0.873 15.472 6.490) 16.800 5.538 ( -11.142 -2.249 4.748) 12.319 5.948 ( -0.090 -3.498 -8.464) 9.159 6.358 ( -3.481 2.791 -7.865) 9.042 6.476 ( -7.433 0.445 5.818) 9.450 6.754 ( 0.451 -1.028 -3.222) 3.412 7.145 ( -2.482 -0.735 -8.106) 8.510 10.771 ( 1.907 2.952 7.351) 8.148 10.815 ( -1.384 1.063 -32.784) 32.831 11.120 ( -0.666 -1.938 -5.777) 6.130 11.320 ( -0.417 -0.305 -43.651) 43.654 12.960 ( 0.449 0.024 6.735) 6.750 13.386 ( -0.349 -0.477 -3.900) 3.945 14.516 ( 1.664 -0.276 -2.342) 2.886 14.633 ( 2.286 -1.299 -7.052) 7.526 15.543 ( -1.253 0.487 8.403) 8.510 15.787 ( -0.753 0.197 1.787) 1.950 17.672 ( -1.105 -1.825 15.367) 15.514 17.819 ( 0.965 -1.503 8.408) 8.595 27.099 ( -0.690 0.336 4.042) 4.114 27.237 ( 0.295 -0.078 0.873) 0.925 27.442 ( -3.126 3.269 15.107) 15.769 27.586 ( -5.345 2.530 19.671) 20.541 29.688 ( -1.956 -2.238 2.512) 3.891 30.326 ( -1.742 -1.692 -6.589) 7.022 30.888 ( 3.096 3.011 5.985) 7.381 31.854 ( 2.533 0.407 -14.467) 14.692 ======================= Grid point 215 (68/155) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 -0.000 1.307) 1.307 1.376 ( 0.000 -0.000 -0.220) 0.220 1.700 ( 0.000 -0.000 3.894) 3.894 1.752 ( 0.000 -0.000 2.477) 2.477 2.360 ( 0.000 -0.000 36.908) 36.908 2.581 ( 0.000 -0.000 42.709) 42.709 3.427 ( 0.000 -0.000 23.642) 23.642 3.703 ( 0.000 -0.000 2.116) 2.116 3.994 ( 0.000 -0.000 -3.928) 3.928 4.249 ( -0.000 -0.000 9.399) 9.399 4.262 ( 0.000 -0.000 -7.750) 7.750 4.599 ( 0.000 -0.000 -10.349) 10.349 4.731 ( 0.000 -0.000 -4.191) 4.191 5.001 ( 0.000 -0.000 -1.088) 1.088 5.025 ( -0.000 -0.000 -9.734) 9.734 5.240 ( 0.000 -0.000 5.391) 5.391 5.454 ( 0.000 -0.000 8.185) 8.185 5.964 ( 0.000 -0.000 -8.162) 8.162 6.295 ( 0.000 -0.000 -3.557) 3.557 6.424 ( 0.000 0.000 6.991) 6.991 6.761 ( 0.000 -0.000 -1.720) 1.720 7.128 ( 0.000 -0.000 -8.782) 8.782 10.772 ( 0.000 0.000 7.765) 7.765 10.797 ( 0.000 -0.000 -33.922) 33.922 11.125 ( 0.000 -0.000 -5.320) 5.320 11.318 ( 0.000 -0.000 -43.906) 43.906 12.963 ( 0.000 -0.000 6.931) 6.931 13.386 ( 0.000 -0.000 -3.712) 3.712 14.532 ( 0.000 -0.000 -2.002) 2.002 14.661 ( 0.000 -0.000 -7.534) 7.534 15.530 ( 0.000 -0.000 8.249) 8.249 15.779 ( 0.000 -0.000 1.598) 1.598 17.672 ( 0.000 -0.000 15.663) 15.663 17.837 ( 0.000 0.000 8.304) 8.304 27.090 ( 0.000 -0.000 4.838) 4.838 27.240 ( 0.000 -0.000 1.297) 1.297 27.400 ( 0.000 -0.000 13.000) 13.000 27.526 ( 0.000 -0.000 18.369) 18.369 29.683 ( 0.000 -0.000 2.374) 2.374 30.320 ( 0.000 -0.000 -7.466) 7.466 30.898 ( 0.000 -0.000 6.947) 6.947 31.872 ( 0.000 -0.000 -13.634) 13.634 ======================= Grid point 222 (69/155) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 7.797 0.000 14.384) 16.362 1.120 ( 12.865 0.000 3.648) 13.372 1.335 ( 0.596 0.000 -0.515) 0.788 1.753 ( 0.863 0.000 -4.438) 4.521 2.433 ( 3.176 0.000 40.116) 40.242 2.597 ( -1.727 -0.000 40.028) 40.066 2.842 ( 14.599 0.000 6.309) 15.904 3.252 ( 14.080 0.000 -1.256) 14.136 3.506 ( 17.282 0.000 17.411) 24.532 3.676 ( 5.347 0.000 5.469) 7.649 3.778 ( 19.928 0.000 -5.228) 20.602 3.892 ( 5.954 0.000 -13.982) 15.196 4.718 ( 1.587 0.000 7.242) 7.414 4.778 ( -9.021 -0.000 1.469) 9.140 5.262 ( 3.563 0.000 -3.447) 4.958 5.569 ( 0.383 0.000 -8.279) 8.287 5.651 ( 3.373 0.000 7.050) 7.815 5.932 ( -8.858 -0.000 7.458) 11.580 6.341 ( 7.617 0.000 -5.233) 9.242 6.518 ( 3.225 0.000 -4.455) 5.500 7.057 ( -10.730 -0.000 -5.430) 12.026 7.273 ( -5.033 -0.000 -1.898) 5.379 10.818 ( 4.318 0.000 2.751) 5.119 10.886 ( -0.807 -0.000 -7.649) 7.691 11.145 ( -5.308 -0.000 -26.807) 27.327 11.294 ( 0.517 0.000 -42.179) 42.182 12.942 ( 1.423 0.000 3.709) 3.972 13.350 ( 0.712 0.000 -4.486) 4.542 14.400 ( 4.547 0.000 -4.198) 6.189 14.476 ( 1.788 0.000 -2.282) 2.899 15.683 ( -4.903 -0.000 7.190) 8.702 15.831 ( -1.407 -0.000 2.945) 3.264 17.551 ( 0.453 0.000 16.807) 16.813 17.763 ( -0.881 -0.000 10.987) 11.022 27.134 ( -0.595 -0.000 1.046) 1.204 27.225 ( 0.173 0.000 0.310) 0.355 27.734 ( -5.193 -0.000 16.724) 17.511 28.450 ( -33.949 -0.000 23.848) 41.488 29.705 ( -6.180 -0.000 7.264) 9.537 30.329 ( -2.571 -0.000 -1.045) 2.775 30.921 ( 4.694 0.000 -1.364) 4.888 31.546 ( 15.209 0.000 -18.497) 23.947 ======================= Grid point 223 (70/155) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 7.885 -6.068 9.843) 13.996 1.300 ( 6.753 -0.606 0.242) 6.784 1.355 ( 1.522 -1.979 0.062) 2.497 1.774 ( 1.859 0.727 -3.002) 3.605 2.459 ( -0.186 0.605 41.621) 41.626 2.580 ( -0.114 -0.068 41.717) 41.717 3.078 ( 12.628 -1.557 6.368) 14.229 3.486 ( 11.655 -1.125 1.555) 11.812 3.765 ( 13.682 3.029 4.295) 14.657 3.880 ( 13.737 -5.769 -0.246) 14.901 3.970 ( 5.922 1.723 -18.955) 19.933 4.180 ( 23.266 -2.217 1.794) 23.441 4.607 ( -8.100 1.763 4.537) 9.450 4.798 ( 4.630 -3.135 11.928) 13.174 5.248 ( 1.070 8.301 -2.182) 8.649 5.605 ( -5.025 -7.237 -1.138) 8.883 5.679 ( 3.949 5.529 9.302) 11.520 5.772 ( -8.218 -2.726 3.663) 9.401 6.452 ( 5.442 3.928 -5.951) 8.970 6.588 ( 1.923 -5.476 -2.025) 6.147 6.805 ( -16.654 1.891 -11.612) 20.391 7.187 ( -4.780 -0.274 -6.227) 7.855 10.852 ( 1.202 2.827 -2.663) 4.066 10.891 ( 1.005 0.870 -11.263) 11.341 11.057 ( -4.892 -2.230 -16.599) 17.448 11.308 ( 0.631 -0.424 -42.302) 42.309 12.964 ( 1.582 0.786 4.454) 4.791 13.366 ( 0.754 -0.480 -4.228) 4.321 14.475 ( 4.057 0.631 -5.114) 6.558 14.521 ( 2.707 -1.751 -3.794) 4.979 15.601 ( -3.992 0.399 8.169) 9.101 15.805 ( -1.664 -0.254 2.403) 2.934 17.579 ( 0.743 -2.724 16.231) 16.475 17.765 ( 0.958 -0.253 10.255) 10.303 27.122 ( -0.730 0.144 1.791) 1.939 27.229 ( 0.207 -0.047 0.377) 0.433 27.626 ( -6.369 1.305 15.308) 16.631 27.941 ( -20.761 4.956 28.904) 35.930 29.648 ( -2.156 -1.371 3.442) 4.286 30.301 ( -1.362 -1.015 -3.252) 3.669 30.971 ( 3.940 3.960 1.191) 5.712 31.740 ( 6.081 -2.521 -16.205) 17.491 ======================= Grid point 224 (71/155) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 4.816 -3.790 4.947) 7.875 1.349 ( 1.144 -0.181 0.300) 1.196 1.459 ( 3.564 -6.562 1.215) 7.565 1.797 ( 2.581 2.088 -0.710) 3.395 2.426 ( -1.765 1.678 39.307) 39.382 2.583 ( 0.373 0.149 42.865) 42.867 3.292 ( 8.729 -2.638 14.579) 17.196 3.656 ( 6.606 -0.794 3.490) 7.513 3.906 ( 3.558 -1.989 -3.243) 5.209 4.091 ( 11.315 1.677 -11.205) 16.013 4.173 ( 11.915 -2.979 -5.461) 13.441 4.464 ( 2.177 0.196 -1.844) 2.860 4.605 ( 16.135 -0.287 3.509) 16.515 4.904 ( 2.939 -1.689 7.490) 8.221 5.156 ( -1.566 6.303 0.603) 6.523 5.483 ( -11.771 -2.210 5.399) 13.138 5.616 ( -0.890 10.075 8.166) 12.999 5.809 ( 0.556 -8.784 -5.275) 10.261 6.431 ( -6.298 4.302 -12.365) 14.528 6.493 ( -8.299 0.981 5.458) 9.982 6.695 ( 0.741 -4.477 -4.948) 6.714 7.131 ( -2.075 -0.538 -8.956) 9.209 10.824 ( -1.528 1.338 -5.476) 5.841 10.858 ( -1.281 3.517 -19.331) 19.690 11.052 ( -0.468 -4.126 -7.074) 8.202 11.321 ( 0.770 0.222 -42.094) 42.101 12.978 ( 1.333 1.328 5.709) 6.011 13.382 ( 0.679 -0.053 -3.885) 3.944 14.520 ( 2.265 0.717 -3.096) 3.903 14.595 ( 2.837 -2.159 -6.557) 7.464 15.545 ( -2.479 -0.206 8.154) 8.525 15.782 ( -1.442 -0.510 1.854) 2.403 17.622 ( 0.900 -2.387 15.962) 16.165 17.798 ( 2.070 -0.573 9.354) 9.598 27.106 ( -0.707 0.333 3.111) 3.207 27.233 ( 0.063 -0.217 0.676) 0.713 27.501 ( -5.756 1.991 14.267) 15.513 27.648 ( -9.330 2.882 23.853) 25.775 29.648 ( 0.281 -1.376 2.412) 2.791 30.304 ( 0.647 -0.525 -5.270) 5.335 30.973 ( 1.473 4.387 3.680) 5.912 31.822 ( 0.538 -2.813 -13.948) 14.239 ======================= Grid point 225 (72/155) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.192 -0.857 1.626) 1.848 1.374 ( 1.046 -0.069 0.064) 1.050 1.590 ( 2.408 -7.253 3.373) 8.354 1.817 ( 3.128 3.582 1.028) 4.865 2.376 ( -2.041 1.100 38.230) 38.301 2.590 ( 1.150 0.853 42.748) 42.772 3.396 ( -0.273 -2.512 22.619) 22.759 3.707 ( -0.798 0.250 1.935) 2.108 3.980 ( 3.670 -1.380 -2.243) 4.518 4.255 ( 0.478 1.020 7.841) 7.922 4.273 ( 9.344 1.617 -10.194) 13.923 4.580 ( 5.986 -1.159 -11.457) 12.979 4.831 ( 5.825 -0.809 3.599) 6.894 4.890 ( -0.416 3.832 -8.344) 9.191 5.117 ( -0.981 -4.159 1.823) 4.646 5.222 ( -16.809 7.123 -1.401) 18.310 5.520 ( 1.193 3.911 7.581) 8.614 5.900 ( 0.204 -6.367 -8.062) 10.275 6.277 ( -3.897 -1.033 -2.928) 4.983 6.453 ( 1.544 2.594 6.019) 6.733 6.733 ( -0.559 -2.666 -1.419) 3.071 7.127 ( 1.034 -0.067 -8.756) 8.817 10.774 ( -3.310 0.222 6.074) 6.921 10.809 ( -1.156 1.012 -33.546) 33.581 11.096 ( 1.145 -2.317 -6.182) 6.700 11.329 ( 0.895 0.827 -41.870) 41.888 12.982 ( 1.049 1.568 6.595) 6.860 13.392 ( 0.914 0.526 -3.699) 3.846 14.539 ( 0.723 0.643 -2.286) 2.482 14.647 ( 0.923 -1.213 -7.138) 7.299 15.520 ( -1.114 -0.810 7.952) 8.071 15.769 ( -0.866 -0.852 1.475) 1.911 17.660 ( 1.442 -0.995 15.833) 15.930 17.837 ( 1.867 -0.006 8.820) 9.015 27.094 ( -0.303 0.275 4.603) 4.622 27.234 ( -0.271 -0.424 1.288) 1.383 27.408 ( -3.300 0.623 12.924) 13.353 27.535 ( -2.209 0.721 19.010) 19.151 29.683 ( 2.716 -0.065 2.159) 3.470 30.332 ( 2.831 0.933 -6.943) 7.555 30.930 ( -1.868 2.802 5.670) 6.595 31.831 ( -3.137 -3.555 -12.945) 13.786 ======================= Grid point 226 (73/155) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -1.024 -0.283 1.239) 1.632 1.367 ( -1.332 0.447 -0.247) 1.427 1.680 ( 1.417 -3.275 4.604) 5.825 1.819 ( 2.427 5.594 1.768) 6.349 2.345 ( -0.878 -0.615 37.838) 37.853 2.606 ( 1.830 1.105 41.768) 41.823 3.339 ( -7.894 -1.057 19.228) 20.812 3.656 ( -5.350 -1.342 6.594) 8.597 4.002 ( -3.810 2.091 1.476) 4.589 4.200 ( -1.505 4.245 0.339) 4.517 4.404 ( 5.533 5.280 -5.533) 9.440 4.539 ( -8.018 1.972 -6.254) 10.358 4.607 ( -17.745 6.430 -8.845) 20.844 4.912 ( -3.619 6.380 -1.737) 7.538 4.992 ( -3.742 -13.055 5.691) 14.725 5.222 ( 5.400 -1.208 -3.931) 6.788 5.562 ( 5.763 -0.649 2.236) 6.215 5.959 ( 1.352 -2.495 -9.343) 9.764 6.299 ( 2.525 -2.673 -2.551) 4.476 6.485 ( 5.130 1.538 6.788) 8.646 6.748 ( -0.049 -1.373 -0.966) 1.680 7.159 ( 2.776 0.474 -7.077) 7.616 10.717 ( -4.287 -2.034 8.302) 9.562 10.798 ( 0.100 -0.596 -36.152) 36.157 11.133 ( 1.215 -0.508 -6.196) 6.334 11.336 ( 1.149 1.055 -42.122) 42.151 12.980 ( 0.818 1.811 7.033) 7.309 13.403 ( 1.411 1.066 -3.861) 4.247 14.528 ( -1.082 0.809 -2.166) 2.553 14.649 ( -1.377 0.167 -6.683) 6.825 15.523 ( 0.051 -1.343 8.057) 8.168 15.772 ( -0.147 -1.206 1.415) 1.865 17.693 ( 2.085 0.307 15.329) 15.473 17.854 ( 1.032 1.500 8.473) 8.667 27.094 ( 0.471 -0.110 5.048) 5.071 27.233 ( -0.417 -0.434 1.283) 1.417 27.380 ( -0.632 -2.200 14.278) 14.460 27.546 ( 2.754 -1.274 16.873) 17.143 29.737 ( 4.826 2.188 2.152) 5.719 30.376 ( 4.482 2.801 -7.662) 9.308 30.855 ( -4.896 0.048 6.535) 8.166 31.798 ( -5.670 -4.606 -13.496) 15.346 ======================= Grid point 227 (74/155) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -4.542 1.542 1.706) 5.091 1.347 ( -0.615 -0.093 0.054) 0.625 1.692 ( -0.085 5.398 5.834) 7.949 1.783 ( 1.117 4.614 2.689) 5.456 2.367 ( 1.532 -2.403 36.362) 36.474 2.623 ( 1.455 1.456 41.013) 41.065 3.173 ( -11.205 1.606 9.170) 14.568 3.558 ( -8.483 -2.740 13.158) 15.893 3.786 ( -18.551 3.339 2.474) 19.011 3.945 ( -18.630 6.403 -9.203) 21.743 4.170 ( -12.039 7.671 -7.685) 16.212 4.399 ( -2.051 5.104 -2.348) 5.981 4.584 ( 6.977 1.712 -0.242) 7.188 4.814 ( -1.436 3.071 2.085) 3.980 5.083 ( -4.282 -15.836 6.981) 17.828 5.238 ( -0.897 3.748 0.773) 3.931 5.716 ( 8.446 -2.656 -1.371) 8.960 5.995 ( 2.001 1.487 -10.617) 10.906 6.371 ( 2.215 -1.385 -3.696) 4.526 6.609 ( 7.227 -4.419 0.459) 8.483 6.752 ( 0.431 1.325 -0.566) 1.504 7.213 ( 4.419 0.604 -5.887) 7.386 10.673 ( -4.655 -3.892 8.463) 10.413 10.826 ( 1.589 -1.976 -35.574) 35.664 11.145 ( 0.561 1.027 -6.541) 6.645 11.348 ( 1.515 1.048 -42.252) 42.293 12.972 ( 0.664 2.098 7.142) 7.473 13.416 ( 1.743 1.764 -4.449) 5.094 14.485 ( -2.921 0.874 -2.553) 3.977 14.603 ( -2.690 1.446 -5.303) 6.120 15.549 ( 0.982 -1.952 8.539) 8.814 15.789 ( 0.505 -1.456 1.737) 2.322 17.725 ( 2.702 1.243 14.314) 14.620 17.839 ( 0.194 3.350 8.116) 8.783 27.110 ( 0.984 -0.317 3.780) 3.919 27.229 ( -0.454 -0.197 0.741) 0.891 27.445 ( 3.093 -6.197 18.165) 19.441 27.647 ( 5.792 -4.231 18.423) 19.770 29.794 ( 6.018 4.638 2.475) 7.991 30.419 ( 4.866 4.276 -6.225) 8.984 30.772 ( -6.307 -2.799 5.210) 8.646 31.739 ( -7.251 -4.994 -15.705) 18.004 ======================= Grid point 228 (75/155) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -7.395 3.166 3.990) 8.979 1.337 ( -0.409 0.603 -0.386) 0.825 1.550 ( -2.662 14.948 7.538) 16.952 1.776 ( 1.270 1.815 2.354) 3.232 2.437 ( 3.010 -2.611 35.847) 36.067 2.604 ( -1.970 3.090 38.240) 38.415 2.914 ( -15.212 3.301 7.067) 17.095 3.368 ( -21.889 -0.169 1.971) 21.979 3.444 ( -6.044 1.495 14.193) 15.499 3.671 ( -10.919 0.869 -9.809) 14.704 3.857 ( -15.630 4.517 -5.231) 17.090 4.288 ( -0.456 13.524 -0.987) 13.568 4.670 ( 3.873 -0.318 2.331) 4.532 4.794 ( 0.146 -0.302 1.587) 1.622 5.168 ( -4.483 -6.925 2.780) 8.705 5.187 ( 0.566 -3.596 3.563) 5.094 5.869 ( 6.251 -1.126 -1.490) 6.524 5.992 ( 2.349 4.630 -10.934) 12.103 6.399 ( 1.393 1.592 0.661) 2.216 6.657 ( -6.816 -1.339 -13.267) 14.975 6.844 ( 8.074 -4.522 6.953) 11.575 7.300 ( 6.554 0.749 -5.645) 8.682 10.641 ( -4.536 -4.833 7.528) 10.030 10.893 ( 3.162 -2.823 -32.794) 33.067 11.130 ( -0.697 1.679 -8.700) 8.888 11.364 ( 1.687 1.222 -41.887) 41.939 12.959 ( 0.502 2.253 6.990) 7.361 13.421 ( 1.536 2.695 -5.448) 6.269 14.414 ( -4.120 0.724 -2.365) 4.806 14.539 ( -2.305 2.101 -3.487) 4.678 15.597 ( 1.607 -2.863 9.092) 9.666 15.817 ( 0.867 -1.466 2.357) 2.908 17.759 ( 3.330 2.291 12.758) 13.383 17.793 ( -0.480 4.453 8.126) 9.278 27.129 ( 0.881 -0.177 2.074) 2.260 27.224 ( -0.272 -0.103 0.474) 0.555 27.598 ( 4.883 -7.486 18.377) 20.435 27.859 ( 9.851 -13.127 25.206) 30.078 29.841 ( 6.162 5.979 3.832) 9.402 30.443 ( 2.882 4.074 -1.658) 5.259 30.712 ( -4.633 -3.884 0.800) 6.099 31.652 ( -8.250 -3.050 -19.436) 21.334 ======================= Grid point 229 (76/155) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -8.797 5.040 8.770) 13.405 1.287 ( -1.169 16.424 8.055) 18.330 1.345 ( -2.032 4.451 1.411) 5.092 1.776 ( 0.962 1.862 0.354) 2.125 2.434 ( -11.262 4.138 13.994) 18.433 2.504 ( 1.268 -1.344 38.875) 38.919 2.713 ( -3.971 1.484 35.964) 36.213 3.078 ( -11.443 1.394 -1.611) 11.639 3.331 ( -3.148 5.513 18.414) 19.478 3.528 ( -7.949 -1.136 -11.932) 14.383 3.613 ( -7.722 -1.301 -7.941) 11.153 4.104 ( -2.139 15.921 3.825) 16.513 4.725 ( 2.224 -0.013 4.982) 5.456 4.827 ( 0.724 -5.276 -8.408) 9.953 5.122 ( -1.085 4.284 -2.278) 4.972 5.281 ( -1.757 -12.507 7.500) 14.688 5.863 ( -0.659 8.405 -14.436) 16.717 6.076 ( 8.933 0.041 0.715) 8.962 6.376 ( -1.812 4.200 -0.289) 4.583 6.513 ( -7.402 1.863 -8.676) 11.555 7.005 ( 2.858 -7.715 8.351) 11.724 7.398 ( 5.365 1.659 -4.587) 7.251 10.627 ( -3.043 -5.187 6.086) 8.556 10.979 ( 3.881 -0.343 -21.448) 21.799 11.094 ( -2.191 -1.011 -19.860) 20.006 11.374 ( 1.244 1.813 -41.775) 41.833 12.942 ( 0.212 2.006 6.610) 6.911 13.408 ( 0.726 3.473 -6.400) 7.317 14.342 ( -3.097 0.483 -0.458) 3.168 14.487 ( -1.162 1.961 -2.438) 3.337 15.663 ( 1.575 -4.084 8.911) 9.929 15.846 ( 0.741 -1.133 3.023) 3.312 17.722 ( 0.203 7.310 8.720) 11.381 17.795 ( 2.056 0.647 11.440) 11.641 27.142 ( 0.463 -0.009 1.080) 1.175 27.222 ( -0.103 -0.077 0.380) 0.401 27.731 ( 2.845 -4.802 17.165) 18.050 28.294 ( 13.332 -29.974 26.075) 41.906 29.888 ( 6.060 3.789 7.973) 10.707 30.428 ( -0.869 1.656 2.425) 3.062 30.698 ( -0.914 -1.908 -3.171) 3.812 31.508 ( -8.543 4.092 -23.543) 25.377 ======================= Grid point 230 (77/155) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 5.223 14.467) 15.381 1.047 ( 0.000 20.800 14.217) 25.194 1.325 ( 0.000 0.300 -1.354) 1.387 1.767 ( 0.000 1.493 -2.184) 2.646 2.284 ( 0.000 1.865 7.719) 7.941 2.502 ( 0.000 1.615 49.577) 49.603 2.681 ( 0.000 1.241 40.394) 40.413 2.960 ( 0.000 1.631 -3.246) 3.633 3.248 ( 0.000 3.382 19.902) 20.187 3.436 ( 0.000 1.749 -10.661) 10.804 3.610 ( -0.000 -5.334 -11.966) 13.101 3.903 ( 0.000 16.818 8.456) 18.824 4.737 ( 0.000 0.860 -0.602) 1.050 4.937 ( -0.000 -11.542 -8.246) 14.185 5.044 ( 0.000 6.051 -1.342) 6.198 5.396 ( -0.000 -12.403 7.143) 14.313 5.745 ( 0.000 11.539 -16.911) 20.472 6.208 ( 0.000 9.974 -13.188) 16.535 6.223 ( -0.000 -1.286 10.036) 10.118 6.438 ( 0.000 1.900 1.780) 2.604 7.112 ( -0.000 -7.936 8.977) 11.982 7.421 ( 0.000 2.838 -1.533) 3.226 10.656 ( -0.000 -5.245 4.584) 6.966 10.977 ( 0.000 5.408 -1.574) 5.632 11.126 ( -0.000 -6.835 -39.412) 40.001 11.361 ( 0.000 2.947 -41.888) 41.992 12.926 ( 0.000 1.131 5.877) 5.985 13.376 ( 0.000 3.253 -6.170) 6.975 14.310 ( 0.000 0.284 0.865) 0.911 14.459 ( 0.000 1.431 -2.102) 2.543 15.727 ( -0.000 -4.632 7.329) 8.670 15.862 ( -0.000 -0.389 3.348) 3.370 17.644 ( 0.000 7.470 11.259) 13.512 17.809 ( 0.000 0.398 10.747) 10.754 27.145 ( 0.000 0.035 0.708) 0.708 27.222 ( -0.000 -0.055 0.344) 0.348 27.797 ( -0.000 -3.029 17.628) 17.886 28.825 ( -0.000 -38.054 9.076) 39.122 29.979 ( -0.000 -8.075 15.709) 17.663 30.399 ( 0.000 0.443 2.639) 2.676 30.700 ( 0.000 0.255 -3.488) 3.497 31.294 ( 0.000 17.679 -23.486) 29.396 ======================= Grid point 233 (78/155) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 7.890 0.000 7.738) 11.051 1.353 ( 0.849 0.000 0.776) 1.151 1.389 ( 3.105 0.000 -1.552) 3.471 1.824 ( 3.253 0.000 -2.839) 4.318 2.443 ( -2.232 -0.000 41.500) 41.560 2.587 ( 1.118 0.000 42.313) 42.328 3.257 ( 8.789 0.000 13.962) 16.498 3.648 ( 7.493 0.000 2.289) 7.835 3.883 ( 2.772 0.000 -3.578) 4.527 4.125 ( 13.877 0.000 -6.747) 15.430 4.140 ( 12.572 0.000 -15.550) 19.997 4.467 ( 2.465 0.000 2.386) 3.431 4.606 ( 15.715 0.000 3.819) 16.172 4.842 ( 0.465 0.000 14.525) 14.532 5.326 ( 0.839 0.000 -4.859) 4.931 5.435 ( -8.311 -0.000 5.221) 9.815 5.646 ( -3.164 -0.000 -2.984) 4.349 5.747 ( -0.732 -0.000 11.154) 11.178 6.489 ( -18.467 -0.000 -8.025) 20.135 6.541 ( -1.019 -0.000 -2.037) 2.278 6.597 ( 4.333 0.000 -4.387) 6.166 7.125 ( -1.867 -0.000 -9.296) 9.481 10.838 ( -2.238 -0.000 -12.018) 12.224 10.932 ( -6.516 -0.000 -19.835) 20.878 10.973 ( 4.271 0.000 -0.521) 4.303 11.324 ( 1.228 0.000 -41.311) 41.330 12.996 ( 1.496 0.000 5.001) 5.220 13.381 ( 1.149 0.000 -3.859) 4.027 14.544 ( 1.767 0.000 -2.898) 3.394 14.553 ( 3.783 0.000 -6.761) 7.747 15.542 ( -2.973 -0.000 7.948) 8.486 15.775 ( -1.658 -0.000 1.818) 2.460 17.593 ( 2.161 0.000 16.590) 16.730 17.792 ( 2.259 0.000 9.805) 10.062 27.110 ( -0.675 -0.000 2.724) 2.806 27.230 ( -0.066 -0.000 0.635) 0.639 27.522 ( -6.408 -0.000 13.917) 15.321 27.683 ( -11.707 -0.000 25.554) 28.108 29.633 ( 1.112 0.000 2.273) 2.530 30.299 ( 1.603 0.000 -4.697) 4.963 31.031 ( 0.554 0.000 2.107) 2.178 31.780 ( 0.182 0.000 -13.175) 13.176 ======================= Grid point 234 (79/155) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 1.562 -0.898 2.997) 3.497 1.384 ( 2.532 1.335 0.889) 2.997 1.449 ( 2.960 -4.970 1.552) 5.990 1.879 ( 4.185 1.774 -1.792) 4.886 2.392 ( -3.140 0.361 40.881) 41.003 2.610 ( 1.873 0.726 42.476) 42.523 3.346 ( 0.012 -1.597 20.993) 21.054 3.710 ( -0.948 0.015 1.936) 2.156 3.949 ( 5.198 -1.016 -0.846) 5.364 4.272 ( 4.439 0.478 1.366) 4.669 4.350 ( 13.416 3.863 -11.487) 18.079 4.563 ( 7.916 -0.028 -9.772) 12.576 4.758 ( -7.515 -3.143 9.324) 12.381 4.857 ( 4.675 -4.865 -2.483) 7.190 5.249 ( -0.315 11.838 -2.923) 12.198 5.347 ( -3.748 2.800 -1.859) 5.035 5.584 ( -11.515 2.240 5.112) 12.796 5.705 ( -1.227 -10.302 -4.073) 11.146 6.266 ( -5.244 -0.116 -3.518) 6.316 6.527 ( 2.426 3.842 4.978) 6.740 6.656 ( -0.176 -3.994 -1.030) 4.128 7.126 ( 1.588 -0.041 -8.708) 8.851 10.779 ( -4.914 0.170 5.516) 7.389 10.832 ( -3.506 0.794 -36.433) 36.610 11.050 ( 3.269 -1.504 -4.738) 5.949 11.344 ( 1.223 0.387 -40.103) 40.124 13.015 ( 1.411 1.037 5.988) 6.239 13.402 ( 1.506 0.319 -3.676) 3.985 14.558 ( 0.832 1.047 -2.948) 3.237 14.615 ( 1.917 -1.468 -6.221) 6.673 15.505 ( -1.652 -0.470 7.456) 7.652 15.752 ( -1.357 -0.573 1.285) 1.955 17.640 ( 2.766 -0.587 16.239) 16.484 17.836 ( 2.699 -0.025 9.534) 9.908 27.099 ( -0.462 0.187 4.216) 4.245 27.226 ( -0.527 -0.258 1.270) 1.399 27.419 ( -5.092 0.344 12.835) 13.813 27.550 ( -3.910 0.465 20.022) 20.405 29.681 ( 4.354 -0.040 1.817) 4.718 30.350 ( 4.497 0.530 -5.980) 7.501 30.995 ( -3.133 2.312 3.159) 5.013 31.752 ( -4.879 -2.720 -11.517) 12.800 ======================= Grid point 235 (80/155) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.520 -0.551 1.324) 1.526 1.379 ( -1.211 0.750 -0.516) 1.515 1.580 ( 4.550 -5.065 4.438) 8.127 1.922 ( 4.115 3.797 -0.444) 5.617 2.342 ( -2.071 0.022 40.171) 40.225 2.634 ( 2.147 1.352 41.781) 41.858 3.302 ( -6.558 -1.984 22.437) 23.459 3.632 ( -7.758 -0.757 3.977) 8.751 4.039 ( 1.306 1.060 4.052) 4.387 4.277 ( 0.596 4.069 5.112) 6.561 4.509 ( 10.434 4.951 -10.503) 15.611 4.562 ( -10.914 0.961 -5.552) 12.283 4.680 ( -7.468 -12.006 4.000) 14.694 4.822 ( -14.274 8.499 -13.807) 21.602 5.161 ( 0.844 7.179 -3.833) 8.182 5.191 ( 4.837 6.345 -2.531) 8.370 5.491 ( -1.855 -5.980 -1.071) 6.352 5.827 ( 1.357 -9.871 -8.579) 13.148 6.264 ( 2.516 -0.410 2.222) 3.382 6.541 ( 3.497 3.440 5.544) 7.403 6.701 ( 1.672 -2.913 1.880) 3.849 7.165 ( 2.800 0.124 -6.253) 6.852 10.685 ( -5.996 -1.008 9.066) 10.916 10.789 ( -1.531 -0.268 -39.545) 39.575 11.114 ( 2.722 -0.913 -7.316) 7.860 11.357 ( 1.081 0.754 -39.597) 39.619 13.024 ( 1.547 1.904 6.759) 7.190 13.427 ( 2.185 0.968 -3.791) 4.481 14.548 ( -0.951 0.933 -2.493) 2.827 14.642 ( -0.149 -0.653 -5.725) 5.764 15.494 ( -0.556 -1.111 7.175) 7.282 15.743 ( -0.844 -1.290 0.956) 1.814 17.693 ( 2.916 -0.129 15.636) 15.906 17.877 ( 2.270 0.616 9.314) 9.607 27.094 ( 0.089 0.078 5.714) 5.715 27.221 ( -0.566 -0.611 1.651) 1.849 27.351 ( -2.949 -0.667 12.742) 13.096 27.528 ( 1.040 -0.435 16.064) 16.104 29.775 ( 7.185 1.290 1.492) 7.451 30.432 ( 6.531 2.123 -7.212) 9.958 30.885 ( -6.397 2.351 4.331) 8.075 31.681 ( -8.406 -5.525 -11.414) 15.214 ======================= Grid point 236 (81/155) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -2.592 0.562 1.051) 2.853 1.344 ( -1.470 0.027 -0.007) 1.470 1.692 ( 3.528 -2.678 5.153) 6.796 1.926 ( 2.294 6.173 2.581) 7.074 2.335 ( 1.014 -0.765 36.998) 37.020 2.654 ( 1.919 1.513 40.694) 40.767 3.188 ( -8.118 -0.400 15.438) 17.447 3.481 ( -12.262 -3.165 9.528) 15.848 3.869 ( -15.610 4.422 3.653) 16.631 4.080 ( -24.032 4.886 -6.129) 25.278 4.378 ( -9.296 8.880 -8.767) 15.560 4.445 ( 1.721 2.023 5.833) 6.410 4.650 ( 4.175 3.451 -9.409) 10.857 4.756 ( -1.180 -12.672 6.325) 14.212 5.009 ( -0.576 13.831 -1.329) 13.907 5.301 ( 3.496 1.530 -3.317) 5.056 5.605 ( 6.260 -7.381 -6.684) 11.762 5.943 ( 1.682 -6.658 -11.222) 13.157 6.329 ( 3.448 -1.875 -0.821) 4.009 6.561 ( 0.459 -0.277 3.351) 3.393 6.770 ( 4.510 0.458 3.941) 6.006 7.220 ( 3.966 0.050 -5.137) 6.490 10.605 ( -5.557 -2.474 9.699) 11.448 10.784 ( -0.267 -1.809 -39.454) 39.496 11.159 ( 2.004 0.295 -7.769) 8.029 11.367 ( 1.045 0.710 -40.343) 40.362 13.027 ( 1.695 2.706 7.240) 7.913 13.456 ( 2.929 1.839 -4.358) 5.564 14.504 ( -3.015 0.870 -2.269) 3.872 14.626 ( -1.618 0.682 -4.750) 5.064 15.508 ( 0.215 -1.791 7.418) 7.634 15.751 ( -0.265 -1.971 0.951) 2.204 17.740 ( 2.737 0.407 14.659) 14.917 17.896 ( 1.524 1.873 8.920) 9.240 27.103 ( 0.816 -0.313 5.775) 5.841 27.220 ( -0.376 -0.634 1.213) 1.420 27.341 ( -0.358 -3.215 15.499) 15.833 27.583 ( 3.543 -2.078 15.008) 15.560 29.888 ( 8.824 3.805 1.243) 9.689 30.516 ( 6.869 4.308 -8.058) 11.431 30.743 ( -8.039 0.233 5.406) 9.690 31.594 ( -9.952 -7.946 -12.995) 18.195 ======================= Grid point 237 (82/155) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -5.209 2.627 2.301) 6.271 1.335 ( -0.451 -0.509 -0.235) 0.719 1.751 ( 2.323 1.677 5.959) 6.612 1.870 ( 0.609 8.165 6.037) 10.173 2.389 ( 3.378 -1.538 32.522) 32.733 2.661 ( 0.834 2.071 39.844) 39.907 3.004 ( -13.199 4.752 6.008) 15.261 3.262 ( -19.340 -6.595 9.846) 22.682 3.516 ( -12.745 3.630 3.549) 13.719 3.722 ( -13.875 1.812 -7.347) 15.804 4.021 ( -14.527 11.048 -0.556) 18.260 4.535 ( 5.552 7.181 -1.463) 9.194 4.653 ( -2.616 -3.055 -0.774) 4.096 4.821 ( -1.472 1.802 4.858) 5.387 4.937 ( 3.759 -1.830 5.237) 6.702 5.300 ( 2.505 6.077 -3.745) 7.565 5.793 ( 6.866 -5.663 -4.751) 10.088 6.020 ( 1.366 -2.794 -13.430) 13.786 6.409 ( 3.286 -1.375 -2.263) 4.220 6.544 ( -6.371 -4.974 -3.598) 8.847 6.840 ( 5.179 1.849 6.619) 8.605 7.305 ( 5.918 -0.339 -5.891) 8.357 10.550 ( -4.651 -3.587 9.861) 11.478 10.820 ( 1.048 -3.628 -39.026) 39.208 11.172 ( 0.922 1.959 -6.677) 7.019 11.379 ( 1.053 0.331 -41.821) 41.835 13.023 ( 1.574 3.405 7.484) 8.371 13.483 ( 3.064 2.977 -5.494) 6.960 14.430 ( -4.366 0.748 -1.606) 4.712 14.581 ( -1.814 1.779 -3.591) 4.399 15.538 ( 0.622 -2.549 8.167) 8.578 15.774 ( 0.197 -2.435 1.325) 2.780 17.777 ( 2.148 0.567 13.306) 13.491 17.890 ( 1.090 3.432 8.246) 8.998 27.124 ( 1.020 -0.367 3.888) 4.036 27.220 ( -0.243 -0.334 0.726) 0.835 27.415 ( 2.241 -7.741 20.406) 21.939 27.687 ( 4.357 -4.689 16.750) 17.931 29.981 ( 8.349 6.758 1.482) 10.843 30.538 ( -0.173 4.818 -2.272) 5.330 30.653 ( -1.571 -1.733 0.378) 2.370 31.518 ( -9.275 -8.861 -16.364) 20.792 ======================= Grid point 238 (83/155) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -5.837 5.080 5.329) 9.396 1.333 ( -0.277 -0.180 -0.938) 0.994 1.688 ( -0.109 14.033 8.453) 16.383 1.822 ( 0.974 2.711 5.040) 5.805 2.459 ( 1.170 -1.031 26.898) 26.943 2.568 ( -8.537 6.411 21.639) 24.129 2.731 ( -6.080 0.617 31.927) 32.507 3.064 ( -10.216 -3.317 0.003) 10.741 3.406 ( -0.442 -0.033 3.628) 3.655 3.526 ( -7.080 1.454 -7.548) 10.451 3.684 ( -11.849 8.813 3.277) 15.126 4.437 ( -0.949 14.705 3.077) 15.054 4.652 ( -1.959 -5.377 -5.194) 7.729 4.795 ( 0.064 1.089 6.445) 6.536 5.054 ( 2.933 -6.396 6.247) 9.410 5.270 ( 2.245 7.654 -4.285) 9.055 5.943 ( 4.224 -0.944 -7.380) 8.556 6.073 ( 5.258 -0.980 -10.582) 11.857 6.419 ( -7.076 -1.024 -2.945) 7.733 6.479 ( -2.930 -3.628 -6.525) 8.020 6.905 ( 2.808 -1.032 9.351) 9.818 7.413 ( 5.392 -0.375 -6.808) 8.692 10.525 ( -2.957 -4.230 9.168) 10.521 10.893 ( 1.700 -5.400 -38.804) 39.215 11.147 ( -0.265 3.671 -5.315) 6.464 11.393 ( 0.806 0.158 -42.750) 42.758 13.006 ( 0.943 3.757 7.494) 8.436 13.490 ( 1.939 4.090 -6.984) 8.323 14.354 ( -3.382 0.526 0.143) 3.425 14.533 ( -1.089 2.269 -2.809) 3.771 15.581 ( 0.629 -3.448 9.073) 9.726 15.806 ( 0.335 -2.511 1.991) 3.222 17.797 ( 0.781 0.756 11.615) 11.666 17.865 ( 1.272 4.596 7.709) 9.064 27.141 ( 0.599 -0.119 2.079) 2.167 27.219 ( -0.098 -0.168 0.527) 0.562 27.566 ( 2.686 -10.795 21.619) 24.313 27.841 ( 4.157 -11.712 22.283) 25.515 30.020 ( 5.365 7.994 3.201) 10.146 30.458 ( -3.652 1.241 2.828) 4.783 30.684 ( 2.605 0.241 -3.818) 4.628 31.468 ( -6.393 -6.728 -21.004) 22.963 ======================= Grid point 239 (84/155) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 6.855 9.284) 11.541 1.330 ( 0.000 0.121 -1.286) 1.291 1.499 ( 0.000 19.584 9.948) 21.966 1.809 ( 0.000 2.149 2.864) 3.581 2.354 ( 0.000 4.824 7.098) 8.582 2.527 ( 0.000 0.105 38.402) 38.403 2.695 ( 0.000 0.320 42.485) 42.486 2.986 ( 0.000 0.123 -2.875) 2.878 3.415 ( 0.000 11.598 15.547) 19.397 3.444 ( -0.000 -2.676 -12.917) 13.191 3.503 ( -0.000 -2.305 -5.503) 5.966 4.257 ( 0.000 16.126 5.749) 17.120 4.719 ( -0.000 -9.101 -9.595) 13.225 4.774 ( 0.000 2.227 5.061) 5.530 5.159 ( -0.000 -8.685 7.629) 11.560 5.201 ( 0.000 8.348 -4.357) 9.417 5.932 ( 0.000 5.649 -14.791) 15.833 6.210 ( 0.000 0.262 5.120) 5.127 6.303 ( -0.000 -2.845 -17.980) 18.203 6.473 ( 0.000 1.051 0.731) 1.280 6.959 ( -0.000 -4.793 11.204) 12.186 7.463 ( 0.000 0.778 -6.168) 6.216 10.546 ( -0.000 -4.780 7.789) 9.139 10.979 ( -0.000 -6.767 -39.616) 40.189 11.093 ( 0.000 5.142 -3.396) 6.162 11.397 ( 0.000 0.650 -42.728) 42.733 12.975 ( 0.000 3.417 7.271) 8.034 13.460 ( 0.000 4.409 -7.552) 8.745 14.318 ( 0.000 0.395 1.227) 1.289 14.499 ( 0.000 2.250 -2.441) 3.320 15.629 ( -0.000 -4.249 9.457) 10.367 15.834 ( -0.000 -2.083 2.683) 3.396 17.781 ( 0.000 3.505 9.073) 9.726 17.837 ( 0.000 3.182 9.119) 9.658 27.146 ( 0.000 0.027 1.257) 1.257 27.220 ( -0.000 -0.109 0.442) 0.455 27.691 ( -0.000 -7.603 18.344) 19.857 28.086 ( -0.000 -25.663 27.480) 37.600 29.993 ( 0.000 5.869 6.551) 8.796 30.412 ( 0.000 0.735 2.624) 2.725 30.707 ( 0.000 0.422 -3.399) 3.425 31.451 ( -0.000 -1.094 -24.530) 24.555 ======================= Grid point 244 (85/155) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.240 -0.000 1.483) 1.503 1.393 ( -1.974 -0.000 -0.950) 2.191 1.514 ( 6.752 0.000 4.615) 8.178 1.965 ( 4.494 0.000 -1.819) 4.848 2.342 ( -2.504 -0.000 41.514) 41.589 2.651 ( 2.215 0.000 41.905) 41.964 3.277 ( -6.070 -0.000 23.194) 23.975 3.624 ( -8.509 -0.000 3.172) 9.081 4.048 ( 4.984 0.000 4.778) 6.904 4.372 ( 5.388 0.000 7.263) 9.043 4.483 ( -13.507 -0.000 7.252) 15.330 4.577 ( -12.642 -0.000 -5.922) 13.960 4.590 ( 9.566 0.000 -16.292) 18.893 4.886 ( -0.223 -0.000 -17.397) 17.399 5.254 ( -8.723 -0.000 5.004) 10.056 5.339 ( 0.908 0.000 -7.012) 7.071 5.440 ( 0.218 0.000 -7.952) 7.955 5.624 ( 0.343 0.000 -3.401) 3.418 6.265 ( 2.678 0.000 3.042) 4.053 6.607 ( -1.701 -0.000 -0.105) 1.704 6.642 ( 7.169 0.000 7.875) 10.650 7.166 ( 2.754 0.000 -5.939) 6.547 10.674 ( -6.633 -0.000 9.092) 11.255 10.786 ( -2.319 -0.000 -40.710) 40.776 11.103 ( 3.517 0.000 -7.550) 8.329 11.365 ( 0.990 0.000 -38.737) 38.750 13.047 ( 1.685 0.000 6.540) 6.754 13.438 ( 2.468 0.000 -3.753) 4.492 14.560 ( -1.286 -0.000 -2.886) 3.160 14.632 ( 0.775 0.000 -5.009) 5.069 15.482 ( -0.689 -0.000 6.673) 6.709 15.727 ( -1.093 -0.000 0.762) 1.332 17.691 ( 3.323 0.000 15.851) 16.195 17.883 ( 2.618 0.000 9.749) 10.094 27.095 ( -0.119 -0.000 5.933) 5.934 27.213 ( -0.666 -0.000 1.684) 1.810 27.345 ( -3.597 -0.000 12.196) 12.715 27.524 ( 0.376 0.000 15.976) 15.980 29.789 ( 8.079 0.000 1.156) 8.162 30.456 ( 7.168 0.000 -6.365) 9.586 30.920 ( -6.777 -0.000 2.208) 7.128 31.611 ( -9.568 -0.000 -10.014) 13.850 ======================= Grid point 245 (86/155) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.894 -0.029 0.942) 1.299 1.349 ( -2.644 0.268 -0.267) 2.671 1.633 ( 5.519 -1.910 4.748) 7.527 2.019 ( 2.920 2.306 1.729) 4.103 2.324 ( 0.536 -0.342 37.945) 37.950 2.683 ( 2.036 0.907 41.066) 41.126 3.167 ( -6.993 -0.926 21.150) 22.295 3.441 ( -12.916 -0.731 5.220) 13.950 3.964 ( -13.686 3.555 4.931) 14.975 4.147 ( -29.892 1.425 -4.609) 30.279 4.393 ( 5.741 0.191 3.810) 6.893 4.483 ( -4.274 -7.669 6.132) 10.709 4.648 ( -2.643 6.468 -11.810) 13.722 4.757 ( -1.708 3.202 -5.344) 6.460 5.300 ( 8.274 2.131 -7.942) 11.666 5.343 ( 1.954 11.265 -4.031) 12.124 5.452 ( 5.910 -3.976 -9.697) 12.032 5.725 ( 0.793 -12.584 -7.435) 14.638 6.311 ( 2.404 -0.104 2.416) 3.410 6.567 ( -2.654 0.308 1.339) 2.989 6.776 ( 7.505 0.119 7.079) 10.317 7.218 ( 3.486 -0.092 -4.548) 5.731 10.569 ( -6.030 -0.843 10.143) 11.830 10.756 ( -1.590 -0.745 -40.975) 41.013 11.161 ( 3.166 0.031 -9.543) 10.055 11.377 ( 0.613 0.260 -38.765) 38.771 13.072 ( 2.024 1.211 7.060) 7.444 13.486 ( 3.617 0.810 -4.255) 5.643 14.518 ( -3.320 0.373 -2.197) 3.998 14.634 ( -0.575 0.139 -4.200) 4.242 15.480 ( 0.002 -0.681 6.241) 6.278 15.716 ( -0.713 -0.967 0.432) 1.277 17.746 ( 3.009 0.138 15.127) 15.424 17.920 ( 1.958 0.482 9.801) 10.007 27.098 ( 0.384 -0.158 7.528) 7.539 27.207 ( -0.304 -0.402 1.445) 1.530 27.303 ( -1.712 -0.708 12.539) 12.676 27.554 ( 2.538 -0.661 13.976) 14.220 29.945 ( 10.743 1.437 0.232) 10.841 30.577 ( 7.348 1.278 -5.637) 9.348 30.778 ( -8.067 2.072 0.594) 8.350 31.444 ( -12.419 -4.716 -9.858) 16.543 ======================= Grid point 246 (87/155) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -3.227 1.858 1.126) 3.890 1.320 ( -0.944 -0.841 0.036) 1.265 1.733 ( 3.820 -1.732 5.308) 6.765 2.016 ( 1.419 4.722 7.835) 9.257 2.366 ( 3.275 -0.829 30.575) 30.761 2.700 ( 1.570 1.609 40.235) 40.298 3.060 ( -6.943 -1.160 12.283) 14.157 3.181 ( -20.070 0.680 6.163) 21.006 3.589 ( -19.332 3.146 2.545) 19.751 3.733 ( -16.688 -0.322 -5.102) 17.454 4.245 ( -15.308 6.459 4.302) 17.163 4.543 ( -2.776 -1.792 -9.982) 10.515 4.595 ( 8.526 0.318 11.249) 14.118 4.803 ( 3.438 -1.904 1.379) 4.165 5.177 ( 0.641 16.999 -1.557) 17.082 5.416 ( 6.684 4.470 -7.616) 11.075 5.645 ( 7.138 -7.290 -8.135) 13.048 5.869 ( 0.930 -10.875 -11.030) 15.517 6.357 ( 1.824 -2.035 -1.800) 3.273 6.502 ( -5.133 -0.387 1.000) 5.244 6.878 ( 5.293 1.461 5.895) 8.056 7.290 ( 4.501 -0.814 -5.481) 7.139 10.492 ( -4.665 -1.838 11.369) 12.425 10.753 ( -0.605 -2.401 -41.198) 41.273 11.205 ( 2.388 1.011 -8.711) 9.089 11.383 ( 0.338 0.094 -40.693) 40.694 13.088 ( 1.982 2.368 7.455) 8.070 13.539 ( 4.215 2.081 -5.362) 7.131 14.444 ( -4.672 0.453 -1.037) 4.807 14.611 ( -1.187 1.004 -3.583) 3.906 15.495 ( 0.320 -1.434 6.453) 6.618 15.724 ( -0.306 -2.000 0.405) 2.063 17.788 ( 2.210 0.414 14.137) 14.314 17.938 ( 1.218 1.269 9.493) 9.655 27.112 ( 0.815 -0.632 7.289) 7.361 27.210 ( -0.069 -0.538 1.023) 1.158 27.305 ( -0.028 -2.728 15.472) 15.711 27.618 ( 3.067 -2.047 13.881) 14.362 30.107 ( 11.412 4.589 -0.702) 12.320 30.603 ( -7.841 -0.048 4.306) 8.946 30.678 ( 5.512 5.237 -8.646) 11.514 31.310 ( -11.760 -9.709 -11.974) 19.389 ======================= Grid point 247 (88/155) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -3.472 3.855 2.688) 5.843 1.320 ( -0.328 -0.957 -0.546) 1.149 1.795 ( 1.943 -0.476 6.158) 6.474 1.970 ( 0.905 7.889 9.928) 12.713 2.438 ( 3.613 -1.073 26.381) 26.649 2.693 ( -1.700 3.766 34.921) 35.164 2.769 ( -17.379 3.591 11.254) 21.014 2.968 ( -6.637 -3.767 2.581) 8.056 3.408 ( -3.077 -0.101 4.211) 5.217 3.519 ( -9.086 -1.234 -8.433) 12.458 3.922 ( -10.767 10.518 9.934) 18.034 4.486 ( -4.797 -3.525 -7.841) 9.845 4.730 ( 6.578 3.826 8.248) 11.222 4.843 ( -0.391 2.112 7.344) 7.652 5.040 ( 1.828 9.113 2.407) 9.601 5.443 ( 4.092 7.829 -7.025) 11.287 5.841 ( 6.690 -8.088 -5.990) 12.085 5.980 ( 0.589 -7.789 -14.402) 16.383 6.356 ( -7.644 -1.723 -3.012) 8.395 6.448 ( 0.938 -0.955 -1.522) 2.027 6.923 ( 2.270 1.855 5.740) 6.446 7.384 ( 4.160 -2.089 -6.997) 8.405 10.452 ( -2.715 -2.616 11.694) 12.287 10.786 ( 0.189 -4.336 -41.078) 41.307 11.216 ( 1.104 2.566 -6.063) 6.675 11.389 ( 0.246 -0.380 -43.399) 43.401 13.086 ( 1.254 3.333 7.661) 8.448 13.574 ( 3.042 3.597 -7.001) 8.439 14.363 ( -3.734 0.363 0.709) 3.818 14.578 ( -0.878 1.762 -3.132) 3.700 15.520 ( 0.300 -2.242 7.268) 7.612 15.747 ( -0.013 -2.761 0.733) 2.857 17.811 ( 1.115 0.608 13.031) 13.093 17.936 ( 0.699 2.117 8.762) 9.041 27.133 ( 0.645 -0.655 4.878) 4.964 27.214 ( -0.024 -0.370 0.717) 0.807 27.363 ( 0.914 -6.679 20.610) 21.685 27.696 ( 2.194 -3.963 15.234) 15.893 30.207 ( 7.769 8.984 -0.808) 11.905 30.480 ( -4.983 0.810 2.844) 5.794 30.707 ( 2.264 2.095 -4.659) 5.588 31.264 ( -6.827 -11.551 -16.516) 21.279 ======================= Grid point 248 (89/155) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 5.667 4.851) 7.459 1.326 ( -0.000 -0.580 -1.009) 1.163 1.800 ( 0.000 4.243 6.737) 7.962 1.881 ( 0.000 8.535 9.115) 12.488 2.482 ( 0.000 6.711 4.816) 8.260 2.509 ( -0.000 -1.470 30.194) 30.230 2.704 ( 0.000 0.738 42.310) 42.317 2.944 ( -0.000 -3.622 -1.932) 4.105 3.392 ( -0.000 -0.724 -7.164) 7.200 3.469 ( -0.000 -2.283 -4.851) 5.361 3.692 ( 0.000 13.080 14.265) 19.353 4.482 ( -0.000 -3.062 -4.844) 5.731 4.671 ( 0.000 12.805 3.367) 13.240 4.814 ( 0.000 1.272 9.531) 9.616 5.040 ( -0.000 -2.220 4.772) 5.263 5.388 ( 0.000 8.942 -6.243) 10.906 5.975 ( -0.000 -2.143 -9.114) 9.363 6.110 ( -0.000 -12.687 -16.871) 21.109 6.237 ( 0.000 2.182 0.237) 2.195 6.476 ( -0.000 -0.841 -1.575) 1.785 6.926 ( 0.000 0.888 7.318) 7.371 7.448 ( -0.000 -2.005 -7.475) 7.739 10.459 ( -0.000 -3.340 10.844) 11.347 10.844 ( -0.000 -5.743 -40.723) 41.126 11.189 ( 0.000 3.841 -4.673) 6.049 11.397 ( -0.000 -0.484 -43.935) 43.938 13.058 ( 0.000 3.921 7.658) 8.604 13.557 ( 0.000 4.530 -7.936) 9.137 14.326 ( 0.000 0.288 1.691) 1.715 14.548 ( 0.000 2.188 -2.852) 3.594 15.551 ( -0.000 -3.032 8.335) 8.869 15.778 ( -0.000 -2.976 1.342) 3.265 17.813 ( 0.000 0.800 12.077) 12.103 17.916 ( 0.000 3.006 7.894) 8.447 27.144 ( -0.000 -0.300 2.840) 2.856 27.217 ( -0.000 -0.228 0.594) 0.636 27.468 ( -0.000 -10.735 23.479) 25.816 27.773 ( -0.000 -6.977 18.065) 19.365 30.168 ( 0.000 10.002 1.158) 10.069 30.428 ( 0.000 0.756 2.599) 2.707 30.717 ( 0.000 0.436 -3.293) 3.322 31.320 ( -0.000 -9.876 -20.407) 22.671 ======================= Grid point 255 (90/155) ======================= q-point: ( 0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.962 -0.000 0.668) 1.171 1.302 ( -2.751 -0.000 0.185) 2.757 1.711 ( 4.493 0.000 4.734) 6.526 2.066 ( 1.480 0.000 9.392) 9.508 2.355 ( 3.003 0.000 29.296) 29.450 2.720 ( 1.771 0.000 40.439) 40.478 3.030 ( -9.845 -0.000 14.636) 17.639 3.207 ( -13.496 -0.000 5.101) 14.427 3.630 ( -26.286 -0.000 0.910) 26.302 3.725 ( -15.028 -0.000 -2.694) 15.268 4.272 ( -13.471 -0.000 8.888) 16.139 4.545 ( 6.257 0.000 -4.689) 7.819 4.669 ( 0.193 0.000 -4.562) 4.566 4.734 ( 1.102 0.000 8.505) 8.576 5.470 ( 8.047 0.000 -10.340) 13.102 5.492 ( 4.445 0.000 -8.477) 9.572 5.536 ( 3.827 0.000 -8.645) 9.454 5.640 ( 2.514 0.000 -4.237) 4.927 6.337 ( 1.059 0.000 -0.453) 1.152 6.498 ( -4.911 -0.000 0.526) 4.939 6.895 ( 5.673 0.000 6.009) 8.264 7.280 ( 3.731 0.000 -5.377) 6.545 10.472 ( -4.654 -0.000 11.879) 12.758 10.726 ( -1.197 -0.000 -41.818) 41.835 11.215 ( 2.907 0.000 -10.148) 10.556 11.384 ( 0.062 0.000 -39.784) 39.784 13.114 ( 2.042 0.000 7.396) 7.673 13.563 ( 4.645 0.000 -5.279) 7.032 14.449 ( -4.800 -0.000 -0.804) 4.867 14.622 ( -0.904 -0.000 -3.572) 3.684 15.479 ( 0.276 0.000 5.599) 5.606 15.700 ( -0.489 -0.000 0.072) 0.494 17.793 ( 2.276 0.000 14.510) 14.687 17.950 ( 1.245 0.000 10.091) 10.167 27.104 ( 0.525 0.000 9.240) 9.255 27.203 ( 0.038 0.000 0.974) 0.975 27.280 ( -0.523 -0.000 12.745) 12.756 27.596 ( 2.697 0.000 13.193) 13.466 30.159 ( 12.969 0.000 -1.657) 13.075 30.598 ( -6.327 -0.000 4.653) 7.853 30.762 ( 5.333 0.000 -11.839) 12.985 31.180 ( -14.759 -0.000 -8.298) 16.931 ======================= Grid point 257 (91/155) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -1.982 2.579 0.998) 3.403 1.292 ( -0.730 -1.669 0.103) 1.824 1.776 ( 2.455 -0.694 5.126) 5.726 2.079 ( 1.614 2.430 13.297) 13.613 2.412 ( 2.857 -0.955 23.919) 24.108 2.742 ( 1.486 1.286 40.205) 40.253 2.793 ( -17.485 -1.068 2.417) 17.684 2.984 ( -8.605 3.347 4.424) 10.239 3.375 ( -5.471 -2.156 7.947) 9.886 3.511 ( -9.271 0.299 -8.484) 12.571 4.045 ( -11.050 1.402 15.098) 18.762 4.512 ( -2.814 4.493 -14.538) 15.474 4.747 ( 6.568 0.402 11.225) 13.011 4.800 ( 1.730 -4.032 8.451) 9.522 5.376 ( 0.765 17.182 -3.312) 17.515 5.570 ( 4.639 3.248 -8.418) 10.146 5.662 ( 2.736 -7.565 -8.618) 11.789 5.770 ( 2.148 -10.430 -5.753) 12.104 6.349 ( -0.805 0.359 -3.796) 3.897 6.423 ( -2.862 -1.042 -1.643) 3.460 6.960 ( 2.563 1.127 4.516) 5.314 7.343 ( 2.742 -1.304 -7.222) 7.835 10.415 ( -2.548 -0.865 13.127) 13.400 10.720 ( -0.503 -1.669 -42.160) 42.196 11.253 ( 1.812 0.858 -7.643) 7.902 11.383 ( -0.198 -0.172 -43.064) 43.065 13.137 ( 1.315 1.295 7.665) 7.884 13.631 ( 3.724 1.469 -6.865) 7.947 14.368 ( -3.991 0.125 1.066) 4.133 14.604 ( -0.713 0.660 -3.327) 3.466 15.488 ( 0.237 -0.744 5.590) 5.645 15.701 ( -0.212 -1.253 -0.015) 1.271 17.821 ( 1.187 0.271 13.862) 13.916 17.963 ( 0.574 0.551 10.000) 10.032 27.116 ( 0.454 -0.658 9.264) 9.298 27.206 ( 0.099 -0.250 0.732) 0.780 27.284 ( 0.113 -1.388 14.591) 14.658 27.642 ( 1.768 -1.245 13.341) 13.515 30.363 ( 12.610 4.541 -3.688) 13.900 30.491 ( -4.998 0.161 2.976) 5.819 30.793 ( -0.523 6.401 -7.738) 10.056 31.011 ( -8.956 -11.206 -10.846) 17.984 ======================= Grid point 258 (92/155) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 3.905 2.050) 4.410 1.304 ( -0.000 -1.511 -0.419) 1.568 1.805 ( -0.000 -0.834 5.997) 6.055 2.055 ( 0.000 5.552 12.123) 13.334 2.465 ( -0.000 -2.391 25.990) 26.100 2.597 ( 0.000 2.924 -0.087) 2.926 2.738 ( 0.000 2.237 42.208) 42.267 2.892 ( 0.000 0.063 0.954) 0.956 3.375 ( -0.000 -2.699 4.701) 5.421 3.426 ( -0.000 -0.203 -10.668) 10.670 3.906 ( 0.000 5.628 18.274) 19.120 4.443 ( 0.000 2.521 -10.831) 11.121 4.827 ( -0.000 -1.690 6.129) 6.357 4.827 ( 0.000 0.153 12.043) 12.044 5.196 ( 0.000 16.893 0.838) 16.914 5.557 ( 0.000 6.228 -7.182) 9.506 5.794 ( -0.000 -11.621 -8.354) 14.312 5.894 ( -0.000 -8.985 -9.068) 12.766 6.296 ( 0.000 3.186 -3.262) 4.560 6.438 ( -0.000 -2.624 -3.604) 4.458 6.963 ( 0.000 1.969 4.368) 4.791 7.392 ( -0.000 -2.741 -7.824) 8.291 10.406 ( -0.000 -1.656 13.061) 13.166 10.744 ( -0.000 -3.445 -41.942) 42.083 11.253 ( 0.000 2.045 -5.398) 5.772 11.385 ( -0.000 -0.537 -45.090) 45.093 13.128 ( 0.000 2.469 7.747) 8.131 13.641 ( 0.000 3.034 -7.886) 8.450 14.330 ( 0.000 0.114 2.087) 2.090 14.587 ( 0.000 1.327 -3.181) 3.447 15.502 ( -0.000 -1.523 6.244) 6.427 15.719 ( -0.000 -2.310 0.222) 2.320 17.827 ( 0.000 0.516 13.309) 13.319 17.959 ( 0.000 1.165 9.482) 9.553 27.130 ( -0.000 -0.978 7.161) 7.228 27.210 ( -0.000 -0.344 0.695) 0.775 27.313 ( -0.000 -3.858 18.063) 18.471 27.679 ( -0.000 -2.680 14.084) 14.337 30.401 ( 0.000 11.392 -4.017) 12.079 30.442 ( 0.000 0.478 2.575) 2.619 30.725 ( 0.000 0.278 -3.212) 3.224 31.074 ( -0.000 -12.237 -15.476) 19.730 ======================= Grid point 268 (93/155) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 -0.000 0.437) 0.437 1.270 ( 0.000 0.000 0.557) 0.557 1.794 ( -0.000 -0.000 4.864) 4.864 2.112 ( -0.000 -0.000 15.276) 15.276 2.434 ( -0.000 -0.000 23.223) 23.223 2.616 ( -0.000 -0.000 -2.127) 2.127 2.768 ( -0.000 -0.000 42.573) 42.573 2.915 ( -0.000 -0.000 0.981) 0.981 3.328 ( -0.000 -0.000 7.647) 7.647 3.432 ( -0.000 -0.000 -10.082) 10.082 3.951 ( -0.000 -0.000 20.270) 20.270 4.516 ( -0.000 -0.000 -17.099) 17.099 4.773 ( -0.000 -0.000 10.959) 10.959 4.828 ( -0.000 -0.000 12.767) 12.767 5.527 ( -0.000 -0.000 -6.895) 6.895 5.585 ( 0.000 0.000 -7.594) 7.594 5.628 ( -0.000 -0.000 -7.371) 7.371 5.737 ( -0.000 -0.000 -0.767) 0.767 6.359 ( -0.000 -0.000 -5.986) 5.986 6.380 ( -0.000 -0.000 -2.966) 2.966 6.988 ( -0.000 -0.000 3.803) 3.803 7.358 ( -0.000 -0.000 -8.249) 8.249 10.388 ( -0.000 -0.000 13.875) 13.875 10.706 ( -0.000 -0.000 -42.476) 42.476 11.275 ( -0.000 -0.000 -5.630) 5.630 11.378 ( -0.000 -0.000 -45.565) 45.565 13.156 ( -0.000 -0.000 7.764) 7.764 13.675 ( -0.000 -0.000 -7.812) 7.812 14.331 ( -0.000 -0.000 2.244) 2.244 14.601 ( -0.000 -0.000 -3.308) 3.308 15.486 ( -0.000 -0.000 5.249) 5.249 15.692 ( -0.000 -0.000 -0.169) 0.169 17.833 ( -0.000 -0.000 13.778) 13.778 17.970 ( -0.000 -0.000 10.207) 10.207 27.116 ( -0.000 -0.000 10.193) 10.193 27.206 ( -0.000 -0.000 0.593) 0.593 27.278 ( -0.000 -0.000 14.086) 14.086 27.650 ( -0.000 -0.000 13.191) 13.191 30.447 ( -0.000 -0.000 2.565) 2.565 30.575 ( -0.000 -0.000 -7.992) 7.992 30.728 ( -0.000 -0.000 -3.183) 3.183 30.890 ( -0.000 -0.000 -11.596) 11.596 ======================= Grid point 315 (94/155) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.000 0.000 11.674) 11.674 1.139 ( 0.000 0.000 17.391) 17.391 1.284 ( 0.000 0.000 -2.711) 2.711 1.629 ( 0.000 0.000 -8.038) 8.038 2.484 ( 0.000 0.000 15.079) 15.079 2.921 ( 0.000 0.000 1.761) 1.761 3.158 ( 0.000 0.000 14.693) 14.693 3.201 ( 0.000 0.000 -10.867) 10.867 3.244 ( 0.000 0.000 18.561) 18.561 3.295 ( 0.000 0.000 -23.104) 23.104 3.730 ( 0.000 0.000 33.434) 33.434 4.168 ( 0.000 0.000 27.352) 27.352 4.767 ( 0.000 0.000 5.738) 5.738 4.968 ( 0.000 0.000 -2.128) 2.128 5.021 ( 0.000 0.000 -3.732) 3.732 5.194 ( 0.000 0.000 -20.533) 20.533 5.673 ( 0.000 0.000 4.763) 4.763 5.886 ( 0.000 0.000 -6.692) 6.692 6.419 ( 0.000 0.000 5.509) 5.509 6.445 ( 0.000 0.000 1.902) 1.902 7.327 ( 0.000 0.000 5.375) 5.375 7.423 ( 0.000 0.000 1.336) 1.336 10.538 ( 0.000 0.000 -29.991) 29.991 10.547 ( 0.000 0.000 -31.032) 31.032 10.789 ( 0.000 0.000 3.142) 3.142 10.887 ( 0.000 0.000 -1.330) 1.330 13.007 ( 0.000 0.000 4.994) 4.994 13.230 ( 0.000 0.000 -6.058) 6.058 14.327 ( 0.000 0.000 1.365) 1.365 14.401 ( 0.000 0.000 -2.243) 2.243 15.871 ( 0.000 0.000 3.588) 3.588 15.911 ( 0.000 0.000 1.837) 1.837 17.828 ( 0.000 0.000 11.548) 11.548 17.961 ( 0.000 0.000 4.781) 4.781 27.172 ( 0.000 0.000 1.842) 1.842 27.223 ( 0.000 0.000 -0.390) 0.390 28.198 ( 0.000 0.000 19.588) 19.588 28.936 ( 0.000 0.000 -18.199) 18.199 30.456 ( 0.000 0.000 3.716) 3.716 30.508 ( 0.000 0.000 5.850) 5.850 30.620 ( 0.000 0.000 -4.337) 4.337 30.713 ( 0.000 0.000 -5.323) 5.323 ======================= Grid point 316 (95/155) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 5.250 -0.808 9.014) 10.463 1.208 ( 2.136 -8.768 15.269) 17.736 1.295 ( 1.171 -0.409 -2.281) 2.596 1.646 ( 0.075 -3.109 -7.054) 7.709 2.590 ( 11.305 -1.067 12.874) 17.166 2.999 ( 7.125 -0.099 4.325) 8.335 3.144 ( 0.914 1.331 10.016) 10.146 3.207 ( -0.331 -1.132 12.685) 12.740 3.307 ( 7.633 1.482 -9.305) 12.126 3.350 ( 6.739 -0.641 -15.888) 17.270 3.827 ( 10.223 -0.364 32.812) 34.369 4.164 ( -3.132 -5.254 23.967) 24.735 4.822 ( 4.859 -1.311 7.052) 8.664 4.853 ( -6.139 2.835 -2.796) 7.317 5.088 ( 7.354 4.861 -3.023) 9.319 5.306 ( 4.713 -8.862 -17.274) 19.979 5.655 ( 2.182 5.692 5.805) 8.418 5.923 ( 0.964 -3.182 -8.329) 8.968 6.385 ( -1.878 1.205 4.870) 5.357 6.445 ( -1.129 -0.748 0.445) 1.425 7.250 ( -7.121 2.419 5.399) 9.258 7.367 ( -6.104 0.434 -0.026) 6.119 10.472 ( -3.030 3.953 -27.599) 28.045 10.561 ( -1.281 -2.232 -31.886) 31.990 10.805 ( 3.054 1.749 3.749) 5.142 10.932 ( 3.127 -1.920 -2.687) 4.548 13.013 ( 0.166 -0.847 5.011) 5.085 13.239 ( 0.374 -1.051 -6.173) 6.273 14.339 ( 1.222 -0.338 1.061) 1.654 14.412 ( 0.853 -0.632 -2.336) 2.566 15.844 ( -2.069 1.189 4.316) 4.932 15.902 ( -1.182 -0.064 1.527) 1.932 17.836 ( -0.077 -1.637 10.917) 11.039 17.953 ( -1.060 -0.274 5.170) 5.285 27.171 ( -0.133 -0.068 1.923) 1.929 27.223 ( 0.066 -0.017 -0.396) 0.402 28.151 ( -3.973 2.254 18.611) 19.164 28.796 ( -10.774 8.064 -12.858) 18.613 30.164 ( -17.093 3.186 11.800) 21.013 30.400 ( -6.877 -2.362 -0.772) 7.312 30.756 ( 9.595 5.355 0.167) 10.990 30.992 ( 16.639 -6.443 -11.658) 21.314 ======================= Grid point 317 (96/155) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 5.719 -1.073 5.118) 7.749 1.312 ( 1.439 -1.223 0.643) 1.995 1.391 ( 3.606 -11.954 8.465) 15.085 1.695 ( 0.593 -4.457 -4.596) 6.430 2.870 ( 17.685 -3.715 9.353) 20.348 3.035 ( 0.507 4.017 16.090) 16.592 3.171 ( 0.844 0.902 10.980) 11.050 3.319 ( 11.257 -3.890 3.263) 12.349 3.442 ( 11.015 0.595 -14.373) 18.118 3.546 ( 12.688 -2.285 -9.035) 15.743 4.013 ( 8.718 1.231 27.356) 28.738 4.225 ( 4.419 -8.267 19.819) 21.924 4.710 ( -5.932 3.749 -2.230) 7.363 4.942 ( 5.765 -1.015 8.334) 10.184 5.165 ( 5.674 1.804 1.003) 6.038 5.455 ( 3.428 -2.772 -12.523) 13.276 5.653 ( 4.798 4.640 4.383) 7.984 5.919 ( -3.448 2.320 -6.013) 7.310 6.367 ( -1.400 -2.390 1.135) 2.993 6.430 ( 0.169 -0.406 -5.161) 5.180 7.053 ( -12.223 2.398 5.971) 13.814 7.228 ( -8.793 0.243 -2.776) 9.224 10.371 ( -3.639 3.763 -25.067) 25.607 10.555 ( -1.472 -1.210 -33.400) 33.454 10.848 ( 4.280 2.469 4.824) 6.905 11.004 ( 2.433 -2.010 -2.977) 4.339 13.029 ( 0.495 -1.158 5.064) 5.218 13.261 ( 0.458 -1.427 -6.269) 6.446 14.376 ( 2.351 -0.752 0.214) 2.477 14.443 ( 1.562 -1.204 -2.620) 3.279 15.787 ( -2.868 1.249 5.471) 6.303 15.874 ( -1.868 0.314 0.990) 2.138 17.861 ( 0.048 -2.946 9.504) 9.950 17.939 ( -0.861 -0.534 5.913) 5.999 27.169 ( -0.170 -0.117 2.192) 2.202 27.226 ( 0.196 -0.060 -0.402) 0.452 28.024 ( -6.676 3.806 16.233) 17.960 28.451 ( -15.404 11.287 -0.805) 19.114 29.931 ( -9.632 -1.144 12.225) 15.605 30.304 ( -6.892 -2.312 -5.478) 9.103 30.869 ( 9.400 4.388 5.174) 11.592 31.283 ( 12.242 -2.114 -15.849) 20.138 ======================= Grid point 318 (97/155) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 4.050 -0.799 2.339) 4.745 1.341 ( 1.181 -0.332 -0.050) 1.228 1.579 ( 2.748 -11.691 6.157) 13.496 1.752 ( 0.828 -3.569 -1.540) 3.974 2.991 ( 0.237 4.444 19.572) 20.072 3.168 ( 1.152 -0.127 15.352) 15.396 3.240 ( 17.302 -4.687 5.887) 18.868 3.584 ( 14.271 -5.850 -4.116) 15.963 3.677 ( 13.377 -2.624 -6.393) 15.057 3.791 ( 12.634 -2.471 -5.511) 14.003 4.089 ( 1.016 -3.724 17.225) 17.653 4.471 ( 14.427 -1.071 19.718) 24.456 4.574 ( -5.189 1.862 -2.033) 5.876 4.990 ( 0.522 4.124 6.522) 7.734 5.226 ( 1.313 -1.206 5.451) 5.735 5.470 ( 2.470 7.607 -7.676) 11.086 5.695 ( -0.237 2.447 -1.568) 2.916 5.777 ( -4.891 3.771 -4.141) 7.436 6.334 ( -3.212 -0.648 -0.484) 3.312 6.497 ( 3.186 -2.816 -9.058) 10.006 6.830 ( -10.819 -0.391 7.804) 13.346 7.087 ( -7.788 -0.923 -5.646) 9.664 10.278 ( -2.899 2.934 -23.584) 23.942 10.539 ( -1.366 -0.396 -34.921) 34.950 10.889 ( 3.491 2.599 5.907) 7.337 11.053 ( 1.022 -1.670 -2.364) 3.070 13.051 ( 0.628 -0.917 5.165) 5.284 13.281 ( 0.249 -1.085 -6.062) 6.163 14.431 ( 2.748 -0.942 -0.699) 2.988 14.487 ( 1.822 -1.450 -3.129) 3.900 15.728 ( -2.466 0.868 6.129) 6.663 15.837 ( -1.766 0.486 0.455) 1.887 17.894 ( -0.236 -3.046 8.632) 9.157 17.940 ( 0.346 -0.776 6.123) 6.182 27.168 ( -0.071 -0.155 2.677) 2.683 27.232 ( 0.394 -0.158 -0.392) 0.578 27.859 ( -7.147 4.241 13.817) 16.124 28.098 ( -12.213 8.690 6.533) 16.351 29.830 ( -5.291 -2.513 9.541) 11.195 30.222 ( -5.098 -1.704 -8.155) 9.767 30.973 ( 7.395 3.285 8.413) 11.673 31.463 ( 7.900 0.044 -16.125) 17.957 ======================= Grid point 319 (98/155) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.822 -0.222 0.756) 1.986 1.360 ( 0.744 -0.186 0.110) 0.774 1.717 ( 1.132 -7.668 4.197) 8.815 1.791 ( 0.680 -1.123 0.964) 1.629 2.957 ( 0.319 2.676 21.821) 21.987 3.173 ( 0.166 0.061 14.876) 14.877 3.564 ( 15.256 -2.612 8.879) 17.844 3.836 ( 4.212 -3.999 6.931) 9.043 3.934 ( 8.643 -5.733 -6.532) 12.257 4.017 ( 9.353 -4.974 -3.003) 11.011 4.199 ( 9.972 -5.316 5.780) 12.693 4.438 ( -3.331 3.368 3.767) 6.053 4.745 ( 12.116 0.069 10.501) 16.033 4.863 ( -7.392 6.151 4.302) 10.535 5.190 ( -7.986 3.237 -2.514) 8.977 5.399 ( 3.819 11.689 -1.457) 12.383 5.536 ( -8.988 -1.333 -3.136) 9.612 5.777 ( 1.891 1.042 -7.076) 7.398 6.306 ( -1.202 -1.378 2.962) 3.481 6.530 ( -1.475 -0.822 -2.751) 3.228 6.739 ( -2.000 -2.003 3.743) 4.693 6.993 ( -4.534 -1.444 -7.478) 8.863 10.215 ( -1.556 1.578 -22.848) 22.956 10.521 ( -0.880 0.028 -35.769) 35.779 10.911 ( 1.812 1.658 6.530) 6.976 11.077 ( 0.261 -0.954 -2.029) 2.257 13.068 ( 0.411 -0.465 5.254) 5.290 13.291 ( 0.037 -0.502 -5.704) 5.727 14.480 ( 1.844 -0.644 -1.061) 2.223 14.529 ( 1.288 -1.028 -3.807) 4.148 15.688 ( -1.379 0.428 6.309) 6.472 15.808 ( -1.044 0.347 0.055) 1.101 17.913 ( -0.328 -1.524 8.932) 9.067 17.962 ( 0.743 -0.964 5.526) 5.659 27.170 ( 0.058 -0.152 3.264) 3.269 27.242 ( 0.436 -0.210 -0.365) 0.606 27.713 ( -4.765 3.065 12.433) 13.663 27.871 ( -6.296 4.219 7.994) 11.015 29.788 ( -2.513 -1.738 7.862) 8.435 30.169 ( -2.665 -0.892 -9.430) 9.840 31.045 ( 4.070 1.778 10.221) 11.144 31.560 ( 3.935 0.468 -15.379) 15.882 ======================= Grid point 320 (99/155) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 -0.000 0.598) 0.598 1.372 ( 0.000 0.000 -0.200) 0.200 1.773 ( 0.000 -0.000 3.403) 3.403 1.798 ( 0.000 -0.000 2.004) 2.004 2.946 ( 0.000 -0.000 22.658) 22.658 3.174 ( 0.000 -0.000 15.275) 15.275 3.769 ( 0.000 -0.000 5.212) 5.212 3.842 ( -0.000 -0.000 16.379) 16.379 4.002 ( 0.000 -0.000 3.045) 3.045 4.142 ( -0.000 -0.000 -5.178) 5.178 4.384 ( 0.000 -0.000 -2.645) 2.645 4.491 ( -0.000 -0.000 10.736) 10.736 4.646 ( 0.000 -0.000 -5.818) 5.818 4.939 ( -0.000 0.000 -4.717) 4.717 4.950 ( 0.000 -0.000 4.474) 4.474 5.401 ( -0.000 -0.000 10.087) 10.087 5.457 ( 0.000 -0.000 -10.466) 10.466 5.786 ( 0.000 -0.000 -8.267) 8.267 6.307 ( 0.000 -0.000 4.882) 4.882 6.515 ( 0.000 -0.000 0.523) 0.523 6.741 ( 0.000 -0.000 1.325) 1.325 6.963 ( 0.000 -0.000 -7.948) 7.948 10.193 ( 0.000 -0.000 -22.641) 22.641 10.512 ( 0.000 -0.000 -35.979) 35.979 10.917 ( 0.000 -0.000 6.671) 6.671 11.084 ( 0.000 -0.000 -1.961) 1.961 13.074 ( 0.000 -0.000 5.280) 5.280 13.294 ( 0.000 -0.000 -5.535) 5.535 14.500 ( 0.000 -0.000 -1.061) 1.061 14.546 ( 0.000 -0.000 -4.157) 4.157 15.674 ( 0.000 -0.000 6.324) 6.324 15.797 ( 0.000 -0.000 -0.094) 0.094 17.918 ( 0.000 -0.000 9.151) 9.151 17.975 ( 0.000 0.000 5.257) 5.257 27.172 ( 0.000 -0.000 3.563) 3.563 27.247 ( 0.000 -0.000 -0.347) 0.347 27.653 ( 0.000 -0.000 11.961) 11.961 27.795 ( 0.000 -0.000 7.881) 7.881 29.776 ( 0.000 -0.000 7.346) 7.346 30.151 ( 0.000 -0.000 -9.798) 9.798 31.070 ( 0.000 -0.000 10.802) 10.802 31.591 ( 0.000 -0.000 -15.006) 15.006 ======================= Grid point 327 (100/155) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 6.921 0.000 4.329) 8.164 1.214 ( 4.278 0.000 14.555) 15.171 1.317 ( 1.556 0.000 -1.412) 2.101 1.642 ( 1.458 0.000 -7.235) 7.381 2.826 ( 16.491 0.000 10.217) 19.400 3.103 ( 2.648 0.000 13.339) 13.600 3.177 ( -1.714 -0.000 17.487) 17.571 3.260 ( 12.542 0.000 0.795) 12.567 3.464 ( 8.384 0.000 -16.747) 18.728 3.509 ( 13.378 0.000 -9.669) 16.506 4.070 ( -3.715 -0.000 22.177) 22.486 4.090 ( 19.137 0.000 27.920) 33.850 4.753 ( -6.719 -0.000 -3.105) 7.402 4.926 ( 7.334 0.000 10.341) 12.677 5.249 ( 4.872 0.000 0.999) 4.974 5.333 ( 5.534 0.000 -14.899) 15.894 5.753 ( 5.105 0.000 3.843) 6.390 5.928 ( 0.295 0.000 -5.394) 5.402 6.335 ( -2.570 -0.000 3.094) 4.022 6.423 ( -1.518 -0.000 -3.307) 3.639 7.083 ( -13.358 -0.000 4.556) 14.114 7.231 ( -9.534 -0.000 -2.533) 9.865 10.420 ( -4.936 -0.000 -25.797) 26.265 10.533 ( -0.731 -0.000 -32.208) 32.216 10.882 ( 4.539 0.000 2.972) 5.425 10.976 ( 2.600 0.000 -1.821) 3.174 13.018 ( 1.005 0.000 4.703) 4.809 13.245 ( 0.901 0.000 -6.099) 6.165 14.368 ( 2.311 0.000 0.114) 2.314 14.429 ( 1.542 0.000 -2.400) 2.853 15.800 ( -3.529 -0.000 4.928) 6.061 15.874 ( -1.988 -0.000 1.217) 2.331 17.828 ( 0.219 0.000 11.110) 11.112 17.933 ( -0.799 -0.000 5.666) 5.722 27.168 ( -0.147 -0.000 2.139) 2.144 27.225 ( 0.167 0.000 -0.445) 0.476 28.067 ( -7.057 -0.000 17.165) 18.559 28.582 ( -18.060 -0.000 -5.296) 18.821 29.922 ( -11.343 -0.000 12.810) 17.110 30.276 ( -5.945 -0.000 -4.780) 7.628 30.932 ( 8.014 0.000 2.963) 8.544 31.242 ( 14.372 0.000 -13.018) 19.391 ======================= Grid point 328 (101/155) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 4.881 0.449 4.799) 6.860 1.330 ( 2.426 -1.324 2.841) 3.964 1.368 ( 4.170 -5.896 4.627) 8.577 1.690 ( 2.714 -1.725 -5.819) 6.649 3.082 ( 2.326 2.922 21.317) 21.642 3.145 ( 9.556 -1.096 14.292) 17.227 3.184 ( 7.476 -0.980 7.714) 10.787 3.499 ( 12.352 -2.252 -1.380) 12.632 3.636 ( 11.891 -0.734 -12.664) 17.387 3.751 ( 13.153 -1.245 -8.519) 15.720 4.034 ( -0.645 -1.346 19.225) 19.282 4.440 ( 19.292 -0.927 17.955) 26.371 4.632 ( -5.931 1.885 0.917) 6.290 5.044 ( 5.755 0.667 9.848) 11.426 5.257 ( 0.868 4.355 2.607) 5.150 5.446 ( 1.614 -5.702 -11.352) 12.806 5.822 ( 6.187 5.562 4.679) 9.545 5.843 ( -9.861 1.811 1.552) 10.146 6.338 ( -0.356 1.545 -3.896) 4.206 6.414 ( 1.249 -4.439 -8.586) 9.746 6.833 ( -13.752 0.377 6.415) 15.179 7.070 ( -8.767 -0.497 -5.845) 10.549 10.329 ( -4.444 1.511 -24.403) 24.851 10.523 ( -1.007 -0.711 -33.409) 33.432 10.945 ( 3.722 2.373 2.916) 5.291 11.013 ( 0.849 -1.898 -0.162) 2.085 13.042 ( 1.628 -0.055 4.512) 4.797 13.265 ( 1.131 -0.357 -5.978) 6.095 14.416 ( 3.039 -0.349 -1.016) 3.224 14.463 ( 1.910 -0.675 -2.589) 3.287 15.737 ( -3.508 0.101 5.787) 6.768 15.838 ( -2.305 -0.191 0.612) 2.393 17.844 ( 0.838 -1.297 10.483) 10.596 17.931 ( 0.480 -0.189 5.866) 5.888 27.166 ( -0.034 -0.034 2.510) 2.510 27.229 ( 0.283 -0.070 -0.446) 0.533 27.923 ( -8.254 1.627 14.793) 17.017 28.246 ( -16.941 4.118 3.759) 17.835 29.792 ( -4.934 -0.919 10.788) 11.898 30.197 ( -3.714 -0.622 -7.571) 8.456 31.040 ( 6.058 2.265 6.016) 8.833 31.442 ( 8.025 -1.255 -14.222) 16.378 ======================= Grid point 329 (102/155) ======================= q-point: ( 0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 2.333 0.097 1.692) 2.884 1.355 ( 0.879 -0.141 0.411) 0.980 1.531 ( 4.281 -8.525 6.351) 11.461 1.760 ( 3.169 -1.453 -3.346) 4.833 3.035 ( -0.835 3.985 22.396) 22.763 3.185 ( 1.333 0.614 16.989) 17.052 3.505 ( 17.440 -2.910 7.923) 19.375 3.713 ( 7.490 -4.598 0.873) 8.832 3.862 ( 11.371 -2.687 -6.515) 13.378 3.951 ( 8.289 -0.979 -5.435) 9.960 4.103 ( 7.025 -3.694 9.324) 12.245 4.516 ( -3.486 3.247 1.827) 5.103 4.729 ( 12.054 -0.402 11.291) 16.521 5.042 ( -1.981 7.822 6.081) 10.104 5.221 ( -1.670 1.169 4.257) 4.720 5.470 ( -6.339 -3.133 -9.132) 11.550 5.614 ( -9.895 4.095 -0.254) 10.711 5.815 ( -1.464 4.236 0.841) 4.560 6.281 ( -2.242 -0.729 -0.793) 2.488 6.507 ( 2.133 -1.492 -5.837) 6.391 6.692 ( -2.513 -2.042 5.666) 6.526 6.966 ( -3.951 -0.999 -7.877) 8.869 10.246 ( -3.374 1.214 -23.426) 23.699 10.513 ( -0.947 -0.592 -34.834) 34.852 10.951 ( 0.088 1.976 4.837) 5.226 11.052 ( 1.366 -1.385 -0.687) 2.063 13.069 ( 1.571 0.407 4.673) 4.947 13.287 ( 1.036 -0.027 -5.716) 5.809 14.470 ( 2.623 -0.243 -1.556) 3.060 14.505 ( 1.790 -1.084 -3.153) 3.784 15.686 ( -2.586 -0.429 6.185) 6.717 15.804 ( -1.983 -0.526 0.089) 2.053 17.878 ( 1.225 -1.392 9.893) 10.065 17.952 ( 1.612 -0.173 5.656) 5.884 27.168 ( 0.152 -0.052 3.014) 3.018 27.236 ( 0.313 -0.237 -0.374) 0.542 27.769 ( -7.077 2.002 12.800) 14.762 27.962 ( -10.852 3.723 7.565) 13.742 29.756 ( -0.908 -1.108 8.754) 8.871 30.161 ( -0.891 -0.007 -9.257) 9.300 31.090 ( 2.592 2.189 8.370) 9.031 31.545 ( 2.465 -1.515 -14.180) 14.472 ======================= Grid point 330 (103/155) ======================= q-point: ( 0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.217 -0.300 0.818) 0.898 1.373 ( 0.400 0.177 -0.121) 0.454 1.676 ( 3.116 -6.484 5.347) 8.964 1.820 ( 3.060 0.396 -0.913) 3.217 2.981 ( -1.102 2.878 23.281) 23.484 3.194 ( 1.159 1.608 16.576) 16.694 3.763 ( 3.975 -0.592 5.189) 6.563 3.789 ( 0.499 -4.060 14.913) 15.464 4.016 ( 6.272 1.357 2.829) 7.013 4.106 ( 7.372 -2.791 -6.635) 10.304 4.354 ( 12.128 -5.680 -4.039) 13.988 4.450 ( 0.764 3.074 8.468) 9.041 4.761 ( -11.039 3.908 -4.356) 12.494 4.928 ( 3.193 4.817 5.566) 8.024 5.095 ( -8.641 8.068 -2.708) 12.128 5.277 ( -14.059 -6.564 4.529) 16.163 5.534 ( 1.246 2.678 -5.650) 6.376 5.744 ( -4.880 -3.745 -6.923) 9.261 6.300 ( 2.244 -0.505 5.434) 5.901 6.528 ( 1.667 1.158 -0.464) 2.082 6.724 ( 1.763 -1.494 2.357) 3.301 6.962 ( 2.339 -0.083 -7.987) 8.322 10.193 ( -1.955 0.001 -22.841) 22.925 10.506 ( -0.419 -0.486 -35.759) 35.765 10.920 ( -2.002 0.268 6.597) 6.899 11.082 ( 1.080 -0.208 -2.005) 2.287 13.085 ( 1.228 0.968 4.956) 5.196 13.301 ( 0.976 0.541 -5.523) 5.635 14.502 ( 0.904 0.175 -1.286) 1.581 14.540 ( 0.993 -0.583 -3.864) 4.032 15.660 ( -1.319 -1.089 6.248) 6.478 15.785 ( -1.192 -1.023 -0.192) 1.582 17.911 ( 1.401 -0.485 9.568) 9.682 17.981 ( 1.706 0.437 5.306) 5.591 27.172 ( 0.233 0.010 3.435) 3.443 27.243 ( 0.044 -0.342 -0.256) 0.429 27.660 ( -3.551 0.577 12.013) 12.540 27.809 ( -4.001 1.147 7.837) 8.874 29.775 ( 2.129 -0.096 7.550) 7.845 30.165 ( 1.947 1.116 -10.041) 10.288 31.081 ( -1.579 0.964 9.831) 10.004 31.565 ( -2.237 -2.189 -14.101) 14.444 ======================= Grid point 331 (104/155) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -1.142 -0.212 0.603) 1.308 1.363 ( -1.071 0.198 -0.179) 1.104 1.769 ( 2.072 -2.428 4.502) 5.519 1.847 ( 2.378 3.555 0.850) 4.361 2.940 ( -1.147 1.076 22.954) 23.008 3.192 ( 0.684 1.736 15.279) 15.393 3.617 ( -12.261 2.307 10.617) 16.382 3.839 ( -4.288 -2.334 7.337) 8.813 4.092 ( 2.505 6.667 3.932) 8.135 4.128 ( -5.996 4.813 -4.088) 8.708 4.344 ( -17.669 8.552 -1.814) 19.714 4.400 ( 1.942 -0.001 1.149) 2.256 4.648 ( 2.093 -5.841 9.367) 11.236 4.901 ( -2.238 6.884 0.523) 7.257 5.043 ( 6.305 -9.891 -1.440) 11.818 5.195 ( -4.103 -6.421 0.628) 7.646 5.537 ( -0.370 -1.971 -4.576) 4.996 5.730 ( -1.855 -3.474 -12.221) 12.839 6.334 ( 1.837 1.159 5.514) 5.926 6.549 ( 1.673 0.986 -1.603) 2.518 6.771 ( 3.817 1.018 4.601) 6.064 7.022 ( 5.025 1.203 -6.926) 8.641 10.181 ( -0.421 -1.563 -22.618) 22.676 10.512 ( 0.455 -0.640 -36.050) 36.059 10.881 ( -3.091 -1.140 7.594) 8.278 11.093 ( 0.433 0.544 -3.217) 3.291 13.090 ( 0.938 1.562 5.188) 5.499 13.309 ( 1.059 1.124 -5.630) 5.838 14.495 ( -1.082 0.729 -0.975) 1.629 14.546 ( -0.385 0.510 -3.895) 3.947 15.664 ( -0.004 -1.715 6.249) 6.480 15.787 ( -0.196 -1.582 -0.166) 1.603 17.935 ( 1.439 0.637 9.055) 9.191 17.994 ( 1.006 1.713 5.206) 5.573 27.174 ( 0.131 0.198 3.382) 3.390 27.243 ( -0.407 -0.149 -0.203) 0.479 27.650 ( 1.263 -2.579 12.463) 12.789 27.800 ( 2.033 -2.341 7.644) 8.249 29.825 ( 4.560 1.626 7.126) 8.615 30.202 ( 4.392 2.119 -10.052) 11.173 31.018 ( -5.476 -0.669 10.287) 11.673 31.520 ( -6.096 -3.067 -14.678) 16.186 ======================= Grid point 332 (105/155) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -3.249 0.661 1.342) 3.577 1.345 ( -1.075 -0.025 -0.324) 1.123 1.789 ( 0.918 5.150 4.173) 6.691 1.827 ( 1.494 4.884 1.844) 5.430 2.925 ( -0.720 -1.321 20.720) 20.775 3.181 ( -0.190 1.290 13.089) 13.154 3.344 ( -14.952 4.811 9.427) 18.319 3.708 ( -15.074 0.400 -3.756) 15.540 3.755 ( -18.369 8.944 -3.108) 20.665 3.859 ( -14.861 3.912 -2.892) 15.637 4.186 ( -2.618 5.272 14.465) 15.617 4.448 ( 1.285 -1.148 10.296) 10.439 4.628 ( -1.422 4.949 3.698) 6.339 4.905 ( 2.370 -2.790 3.846) 5.309 5.199 ( -1.033 -13.497 4.564) 14.285 5.261 ( 1.426 0.202 1.032) 1.772 5.615 ( 5.391 -6.788 -7.814) 11.670 5.734 ( -0.862 -0.938 -14.122) 14.180 6.350 ( 2.028 0.770 2.152) 3.056 6.535 ( -2.757 1.034 -5.794) 6.500 6.853 ( 7.977 1.584 7.693) 11.195 7.107 ( 6.389 0.916 -5.384) 8.405 10.212 ( 1.032 -3.164 -22.833) 23.074 10.535 ( 1.242 -0.709 -35.983) 36.011 10.840 ( -3.771 -1.996 8.101) 9.156 11.084 ( -0.491 1.218 -4.193) 4.394 13.085 ( 0.766 2.185 5.333) 5.814 13.312 ( 1.006 1.800 -6.035) 6.378 14.454 ( -2.425 1.163 -0.452) 2.727 14.519 ( -1.380 1.412 -3.497) 4.015 15.695 ( 1.097 -2.238 6.272) 6.749 15.811 ( 0.705 -2.007 0.148) 2.133 17.948 ( 1.489 1.490 8.108) 8.378 17.979 ( 0.209 2.992 5.560) 6.318 27.173 ( 0.151 0.302 2.873) 2.893 27.235 ( -0.475 0.061 -0.220) 0.527 27.752 ( 5.068 -5.571 13.412) 15.382 27.923 ( 6.648 -6.946 7.945) 12.473 29.893 ( 6.381 3.208 7.759) 10.545 30.268 ( 6.335 2.626 -9.181) 11.460 30.914 ( -8.324 -2.125 9.530) 12.830 31.426 ( -9.017 -3.409 -16.055) 18.727 ======================= Grid point 333 (106/155) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -4.723 1.579 3.652) 6.175 1.324 ( -1.226 0.271 -1.117) 1.681 1.684 ( -0.658 13.287 6.262) 14.703 1.803 ( 1.164 5.024 0.391) 5.172 2.917 ( -7.929 -1.139 13.465) 15.667 3.022 ( -9.852 4.707 13.533) 17.388 3.157 ( -2.481 -0.288 7.979) 8.361 3.370 ( -13.061 0.999 -4.487) 13.847 3.476 ( -13.807 3.763 -3.145) 14.652 3.593 ( -12.704 1.933 -6.147) 14.245 4.027 ( -9.572 2.633 24.959) 26.861 4.424 ( 2.178 10.017 14.572) 17.817 4.629 ( 2.571 -2.785 -1.451) 4.058 4.947 ( -0.525 -0.766 3.633) 3.749 5.187 ( -5.855 2.587 3.098) 7.111 5.329 ( 0.608 -9.417 7.705) 12.183 5.683 ( -2.083 3.051 -12.841) 13.362 5.820 ( 6.074 -6.686 -9.227) 12.913 6.397 ( 3.271 -0.418 -0.936) 3.428 6.442 ( -5.635 1.175 -6.187) 8.451 7.005 ( 9.077 -1.656 8.092) 12.273 7.222 ( 7.369 -0.327 -3.544) 8.183 10.280 ( 2.049 -4.538 -23.693) 24.210 10.566 ( 1.607 -0.307 -35.470) 35.507 10.796 ( -3.994 -2.285 7.894) 9.137 11.048 ( -1.629 2.031 -4.822) 5.480 13.070 ( 0.610 2.658 5.349) 6.004 13.303 ( 0.625 2.495 -6.479) 6.971 14.397 ( -2.465 1.166 0.462) 2.766 14.476 ( -1.486 1.755 -3.038) 3.810 15.746 ( 1.681 -2.611 6.149) 6.889 15.850 ( 1.191 -2.060 0.628) 2.461 17.941 ( 0.160 4.145 6.609) 7.803 17.957 ( 1.227 1.243 6.741) 6.964 27.173 ( 0.232 0.296 2.320) 2.351 27.227 ( -0.247 0.091 -0.248) 0.362 27.914 ( 5.743 -6.367 14.610) 16.941 28.172 ( 9.724 -13.110 6.249) 17.478 29.978 ( 8.042 3.254 10.003) 13.240 30.360 ( 7.667 2.776 -6.889) 10.675 30.787 ( -9.685 -3.061 7.129) 12.409 31.285 ( -11.044 -2.184 -17.821) 21.078 ======================= Grid point 334 (107/155) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -4.378 2.343 7.334) 8.857 1.301 ( -0.877 0.478 -1.994) 2.230 1.506 ( -1.065 16.382 9.948) 19.196 1.757 ( 0.669 6.386 -2.466) 6.878 2.634 ( -13.033 3.006 11.965) 17.946 2.998 ( -1.434 -0.490 9.425) 9.546 3.107 ( -2.976 -2.029 7.180) 8.033 3.242 ( -2.349 1.951 11.628) 12.022 3.261 ( -7.972 -1.754 -14.625) 16.748 3.382 ( -8.726 2.324 -10.735) 14.028 3.851 ( -7.231 2.115 31.284) 32.178 4.353 ( 3.034 11.477 16.939) 20.685 4.723 ( 1.866 -7.069 -0.477) 7.327 4.888 ( -3.778 3.867 8.647) 10.198 5.079 ( -2.687 2.918 -2.975) 4.959 5.392 ( -2.102 -3.916 -1.460) 4.678 5.594 ( -2.405 3.465 -6.427) 7.687 5.949 ( 2.735 -1.964 -12.393) 12.842 6.360 ( -2.749 -1.020 1.515) 3.301 6.452 ( 2.101 -0.354 -0.936) 2.327 7.167 ( 5.438 -4.558 7.758) 10.514 7.349 ( 5.839 -1.138 -1.941) 6.257 10.370 ( 1.937 -5.354 -25.341) 25.973 10.592 ( 1.428 0.451 -34.477) 34.509 10.758 ( -2.979 -2.266 6.788) 7.752 10.988 ( -2.074 2.946 -4.586) 5.832 13.050 ( 0.329 2.647 5.255) 5.893 13.281 ( 0.137 2.760 -6.614) 7.168 14.353 ( -1.385 0.851 1.319) 2.093 14.437 ( -0.882 1.592 -2.656) 3.219 15.802 ( 1.381 -2.705 5.606) 6.376 15.889 ( 0.980 -1.580 1.081) 2.150 17.898 ( 0.008 3.844 8.073) 8.942 17.966 ( 1.081 1.029 5.572) 5.769 27.174 ( 0.168 0.251 1.969) 1.992 27.224 ( -0.073 0.064 -0.284) 0.300 28.062 ( 3.645 -5.777 16.640) 17.987 28.502 ( 8.284 -17.444 -1.360) 19.359 30.114 ( 10.156 -0.375 13.715) 17.070 30.456 ( 5.816 2.471 -1.050) 6.406 30.663 ( -7.722 -2.929 1.294) 8.359 31.094 ( -11.400 1.852 -18.868) 22.123 ======================= Grid point 335 (108/155) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 2.139 10.433) 10.650 1.288 ( 0.000 0.372 -2.622) 2.648 1.323 ( 0.000 15.121 13.635) 20.361 1.696 ( 0.000 5.706 -5.336) 7.812 2.497 ( 0.000 1.284 14.548) 14.605 2.947 ( 0.000 2.143 2.200) 3.071 3.128 ( -0.000 -2.483 15.244) 15.445 3.207 ( -0.000 -0.810 -13.946) 13.969 3.230 ( -0.000 -0.683 15.353) 15.368 3.283 ( 0.000 0.372 -18.362) 18.366 3.759 ( 0.000 2.332 33.037) 33.119 4.272 ( 0.000 9.123 22.533) 24.310 4.802 ( 0.000 3.249 6.157) 6.962 4.840 ( -0.000 -10.128 -1.500) 10.239 5.014 ( 0.000 4.139 -2.690) 4.936 5.347 ( 0.000 6.002 -18.125) 19.093 5.580 ( -0.000 -4.077 6.627) 7.781 5.956 ( 0.000 3.171 -12.293) 12.696 6.368 ( -0.000 -3.145 5.527) 6.360 6.469 ( 0.000 0.688 0.698) 0.980 7.268 ( -0.000 -4.831 7.102) 8.589 7.415 ( -0.000 -0.873 -0.356) 0.943 10.446 ( -0.000 -5.256 -27.297) 27.799 10.597 ( 0.000 1.390 -33.549) 33.578 10.754 ( -0.000 -2.296 5.368) 5.838 10.932 ( 0.000 3.274 -3.191) 4.572 13.027 ( 0.000 1.960 5.151) 5.512 13.254 ( 0.000 2.203 -6.397) 6.766 14.334 ( 0.000 0.557 1.535) 1.633 14.414 ( 0.000 1.167 -2.410) 2.677 15.842 ( -0.000 -2.292 4.751) 5.275 15.910 ( -0.000 -0.642 1.380) 1.522 17.862 ( 0.000 2.957 9.737) 10.176 17.967 ( 0.000 0.593 4.947) 4.982 27.173 ( 0.000 0.167 1.854) 1.862 27.223 ( 0.000 0.037 -0.334) 0.337 28.149 ( -0.000 -4.358 18.361) 18.871 28.761 ( -0.000 -15.365 -10.914) 18.847 30.301 ( -0.000 -8.892 16.230) 18.506 30.461 ( 0.000 0.424 3.699) 3.724 30.624 ( 0.000 0.320 -4.299) 4.311 30.908 ( 0.000 8.390 -17.289) 19.217 ======================= Grid point 338 (109/155) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.726 0.000 1.853) 1.990 1.367 ( 2.353 0.000 -0.604) 2.430 1.413 ( 6.258 0.000 9.052) 11.005 1.742 ( 4.177 0.000 -5.669) 7.042 3.089 ( -2.248 -0.000 23.664) 23.771 3.189 ( 2.738 0.000 18.099) 18.305 3.466 ( 17.717 0.000 7.710) 19.322 3.667 ( 8.332 0.000 -0.567) 8.351 3.830 ( 11.165 0.000 -7.981) 13.724 3.949 ( 10.446 0.000 -10.324) 14.687 4.057 ( 4.906 0.000 13.895) 14.736 4.553 ( -2.445 -0.000 -0.380) 2.474 4.727 ( 11.393 0.000 12.930) 17.233 5.117 ( 0.831 0.000 10.511) 10.544 5.276 ( -1.458 -0.000 0.156) 1.466 5.405 ( -3.883 -0.000 -6.902) 7.919 5.631 ( -12.658 -0.000 2.528) 12.908 5.892 ( -5.282 -0.000 1.040) 5.384 6.276 ( -4.746 -0.000 -3.819) 6.092 6.482 ( 7.157 0.000 -7.192) 10.146 6.668 ( -4.120 -0.000 7.450) 8.513 6.954 ( -3.595 -0.000 -8.029) 8.797 10.260 ( -4.250 -0.000 -23.813) 24.189 10.505 ( -0.768 -0.000 -34.131) 34.140 10.981 ( -2.269 -0.000 3.662) 4.308 11.029 ( 3.432 0.000 0.152) 3.435 13.075 ( 1.991 0.000 4.227) 4.673 13.287 ( 1.457 0.000 -5.694) 5.877 14.469 ( 3.189 0.000 -2.164) 3.854 14.491 ( 1.705 0.000 -2.411) 2.953 15.680 ( -3.044 -0.000 6.095) 6.813 15.796 ( -2.289 -0.000 0.093) 2.291 17.862 ( 1.917 0.000 10.561) 10.733 17.951 ( 1.859 0.000 5.641) 5.939 27.167 ( 0.178 0.000 2.884) 2.889 27.233 ( 0.227 0.000 -0.352) 0.419 27.791 ( -7.870 -0.000 13.083) 15.268 28.005 ( -12.894 -0.000 7.152) 14.744 29.744 ( -0.307 -0.000 9.166) 9.172 30.162 ( -0.089 -0.000 -9.249) 9.250 31.118 ( 1.776 0.000 6.925) 7.149 31.522 ( 2.124 0.000 -13.017) 13.190 ======================= Grid point 339 (110/155) ======================= q-point: ( 0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -0.285 -0.142 1.270) 1.309 1.383 ( 0.360 0.684 -0.589) 0.972 1.548 ( 5.952 -4.217 7.800) 10.679 1.821 ( 4.710 -0.094 -4.379) 6.432 3.039 ( -2.169 1.801 24.757) 24.917 3.226 ( 2.004 0.983 18.475) 18.609 3.705 ( 6.251 -2.536 14.381) 15.884 3.756 ( 1.226 -0.306 3.460) 3.684 4.018 ( 10.234 -1.207 2.147) 10.527 4.104 ( 10.863 3.126 -9.918) 15.039 4.228 ( 11.922 -5.208 -1.030) 13.051 4.539 ( 1.782 3.407 4.430) 5.865 4.784 ( -5.800 0.063 -0.564) 5.828 5.021 ( -11.599 -0.036 12.763) 17.246 5.215 ( -6.898 3.459 -2.371) 8.072 5.250 ( -5.875 3.753 -5.351) 8.788 5.546 ( -2.213 -1.082 -5.274) 5.821 5.654 ( -15.885 -3.398 -4.094) 16.752 6.293 ( 4.174 -0.135 6.048) 7.350 6.556 ( 2.262 1.099 -3.840) 4.591 6.688 ( 3.922 -1.406 5.779) 7.125 6.960 ( 3.653 -0.048 -8.043) 8.834 10.193 ( -3.360 0.012 -23.171) 23.413 10.496 ( -0.413 -0.323 -35.338) 35.342 10.926 ( -3.565 0.202 6.428) 7.353 11.077 ( 1.985 -0.147 -2.081) 2.880 13.105 ( 1.868 0.623 4.389) 4.811 13.311 ( 1.594 0.330 -5.499) 5.735 14.509 ( 1.329 0.487 -1.910) 2.377 14.524 ( 1.793 -0.763 -3.092) 3.655 15.639 ( -2.043 -0.655 6.108) 6.474 15.764 ( -1.853 -0.659 -0.315) 1.991 17.903 ( 2.466 -0.229 10.230) 10.525 17.989 ( 2.517 0.202 5.383) 5.945 27.172 ( 0.367 0.017 3.221) 3.241 27.236 ( -0.037 -0.208 -0.110) 0.238 27.671 ( -5.543 0.345 12.126) 13.337 27.832 ( -6.661 0.706 7.748) 10.242 29.773 ( 3.419 -0.056 7.885) 8.595 30.187 ( 3.252 0.707 -10.415) 10.934 31.104 ( -2.772 0.819 7.939) 8.449 31.517 ( -3.471 -1.593 -12.345) 12.923 ======================= Grid point 340 (111/155) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.893 -0.262 0.927) 1.314 1.369 ( -1.179 0.392 -0.499) 1.339 1.688 ( 4.880 -4.166 6.610) 9.212 1.896 ( 4.496 1.208 -2.601) 5.333 2.983 ( -1.793 2.216 25.163) 25.324 3.236 ( 1.058 2.018 17.331) 17.480 3.659 ( -8.626 1.542 12.064) 14.911 3.766 ( -4.409 -3.722 8.476) 10.254 4.186 ( 7.961 1.955 9.284) 12.385 4.231 ( 2.402 5.281 -6.015) 8.357 4.434 ( 0.062 2.655 -3.061) 4.053 4.494 ( -9.933 2.449 -4.498) 11.176 4.564 ( -2.220 -0.410 3.149) 3.875 4.844 ( -10.851 -8.461 8.694) 16.276 5.053 ( -0.855 5.010 -8.131) 9.589 5.155 ( 0.288 5.204 -2.816) 5.924 5.444 ( -7.783 -6.285 -2.504) 10.313 5.631 ( -0.551 -5.693 -10.864) 12.278 6.355 ( 2.798 0.805 6.585) 7.201 6.568 ( 0.505 0.653 -2.458) 2.593 6.785 ( 6.369 0.418 6.487) 9.101 7.041 ( 5.368 0.586 -6.389) 8.366 10.152 ( -2.067 -1.078 -22.626) 22.746 10.499 ( 0.180 -0.541 -36.285) 36.289 10.863 ( -4.039 -0.609 8.386) 9.328 11.101 ( 0.939 0.245 -4.077) 4.191 13.125 ( 1.804 1.453 4.685) 5.226 13.334 ( 1.873 1.012 -5.562) 5.956 14.510 ( -0.607 0.552 -1.211) 1.463 14.551 ( 0.612 0.007 -3.555) 3.608 15.626 ( -0.935 -1.605 5.991) 6.272 15.750 ( -1.139 -1.576 -0.472) 2.001 17.945 ( 2.383 0.336 9.723) 10.016 18.024 ( 2.235 1.023 5.177) 5.730 27.178 ( 0.357 0.161 3.278) 3.302 27.236 ( -0.353 -0.380 0.111) 0.530 27.610 ( -1.774 -1.132 12.472) 12.649 27.768 ( -0.831 -0.743 7.172) 7.258 29.853 ( 6.226 0.926 6.851) 9.304 30.251 ( 5.685 2.083 -10.985) 12.543 31.015 ( -6.683 0.239 8.765) 11.025 31.445 ( -7.860 -3.405 -12.490) 15.145 ======================= Grid point 341 (112/155) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -2.268 0.337 0.805) 2.430 1.343 ( -1.321 -0.082 -0.204) 1.339 1.796 ( 3.732 -2.052 5.673) 7.094 1.940 ( 3.596 3.786 -0.683) 5.266 2.935 ( -1.219 1.749 23.686) 23.782 3.218 ( -0.711 2.074 14.456) 14.621 3.446 ( -11.675 4.645 12.048) 17.408 3.667 ( -12.470 -3.632 5.026) 13.927 3.940 ( -23.715 6.979 -3.320) 24.942 3.960 ( -20.802 5.672 -4.335) 21.993 4.301 ( 0.117 4.853 9.580) 10.739 4.483 ( 2.778 4.721 3.255) 6.372 4.672 ( 7.808 -1.399 6.571) 10.301 4.860 ( -4.770 -8.616 2.443) 10.147 5.008 ( 5.418 3.967 1.804) 6.953 5.255 ( 7.270 -1.148 -3.690) 8.233 5.441 ( -0.132 -8.803 -7.563) 11.607 5.681 ( -0.158 -4.327 -14.747) 15.370 6.369 ( 0.376 0.961 4.367) 4.487 6.549 ( -2.584 0.343 -3.352) 4.246 6.888 ( 6.902 1.544 7.127) 10.041 7.123 ( 5.084 0.539 -5.011) 7.159 10.148 ( -0.684 -2.660 -22.362) 22.530 10.515 ( 0.874 -0.934 -36.696) 36.719 10.804 ( -3.994 -1.319 9.563) 10.447 11.105 ( 0.144 0.788 -5.561) 5.619 13.136 ( 1.808 2.352 4.937) 5.759 13.353 ( 2.133 1.899 -5.973) 6.621 14.477 ( -2.176 0.951 -0.369) 2.403 14.544 ( -0.705 0.918 -3.562) 3.745 15.641 ( 0.039 -2.586 5.964) 6.500 15.759 ( -0.340 -2.533 -0.333) 2.577 17.974 ( 1.901 1.074 8.921) 9.184 18.039 ( 1.468 2.306 5.093) 5.780 27.180 ( 0.275 0.342 2.931) 2.963 27.233 ( -0.420 -0.260 0.115) 0.507 27.642 ( 2.139 -4.244 13.788) 14.584 27.814 ( 3.225 -3.515 7.148) 8.594 29.957 ( 7.881 2.579 6.228) 10.371 30.331 ( 6.917 3.089 -10.646) 13.066 30.882 ( -9.001 -0.920 8.893) 12.687 31.331 ( -10.567 -4.982 -13.632) 17.953 ======================= Grid point 342 (113/155) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -3.502 1.357 2.260) 4.383 1.325 ( -1.103 -0.163 -0.842) 1.398 1.854 ( 2.682 1.591 4.884) 5.795 1.931 ( 2.231 7.335 1.429) 7.798 2.901 ( -2.292 0.478 19.094) 19.237 3.146 ( -8.920 1.362 7.502) 11.734 3.169 ( -12.348 6.166 10.930) 17.605 3.381 ( -15.671 -0.283 0.906) 15.700 3.570 ( -13.217 4.420 -0.479) 13.944 3.622 ( -14.519 1.134 -3.919) 15.082 4.129 ( -8.683 6.891 16.300) 19.712 4.538 ( 3.701 -0.779 6.329) 7.373 4.693 ( 0.511 8.755 2.771) 9.197 4.912 ( 5.304 -2.028 1.441) 5.859 5.137 ( 4.411 -4.743 13.190) 14.694 5.274 ( -0.740 2.775 1.230) 3.125 5.635 ( 7.179 -9.283 -11.115) 16.164 5.709 ( -0.669 -1.948 -17.219) 17.342 6.371 ( 0.078 -1.230 -0.406) 1.298 6.468 ( -5.595 0.893 -3.921) 6.890 6.989 ( 5.933 0.065 7.700) 9.721 7.212 ( 5.535 -0.626 -4.289) 7.031 10.184 ( 0.509 -4.306 -22.572) 22.985 10.546 ( 1.290 -1.275 -36.838) 36.883 10.755 ( -3.629 -1.568 10.174) 10.915 11.088 ( -0.633 1.648 -6.430) 6.668 13.135 ( 1.582 3.197 5.084) 6.211 13.362 ( 1.878 2.926 -6.598) 7.458 14.422 ( -2.633 1.129 0.745) 2.960 14.513 ( -1.226 1.598 -3.388) 3.942 15.679 ( 0.658 -3.399 6.085) 7.001 15.790 ( 0.290 -3.255 0.055) 3.268 17.986 ( 1.184 1.535 7.817) 8.053 18.027 ( 0.917 3.527 5.199) 6.349 27.181 ( 0.305 0.411 2.434) 2.487 27.228 ( -0.242 -0.043 0.039) 0.249 27.763 ( 4.236 -7.319 14.804) 17.049 27.946 ( 5.174 -7.722 7.955) 12.234 30.059 ( 8.191 4.027 6.879) 11.429 30.420 ( 7.266 2.876 -8.628) 11.641 30.738 ( -9.220 -1.605 7.397) 11.928 31.199 ( -11.416 -5.524 -15.930) 20.361 ======================= Grid point 343 (114/155) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -3.291 2.512 4.923) 6.432 1.308 ( -0.829 0.155 -1.745) 1.938 1.824 ( 0.883 11.371 5.686) 12.744 1.884 ( 1.380 5.609 2.047) 6.128 2.711 ( -14.242 3.824 10.047) 17.843 2.984 ( -0.843 -0.203 12.915) 12.944 3.048 ( -5.462 -3.330 3.894) 7.489 3.243 ( -5.024 0.994 -2.727) 5.801 3.319 ( -7.518 4.180 4.238) 9.589 3.430 ( -7.788 1.793 -7.100) 10.690 3.932 ( -5.754 5.800 23.715) 25.083 4.570 ( -3.114 -2.761 -3.288) 5.304 4.639 ( 6.464 10.301 16.941) 20.854 4.968 ( -0.081 3.101 7.929) 8.514 5.164 ( 1.203 3.980 0.417) 4.179 5.283 ( 0.285 -3.379 8.936) 9.558 5.681 ( -1.634 2.637 -16.985) 17.266 5.836 ( 4.626 -8.165 -14.174) 17.000 6.334 ( -5.691 -1.398 -0.812) 5.916 6.432 ( 1.426 -1.354 -2.469) 3.157 7.085 ( 3.461 -2.810 8.631) 9.715 7.318 ( 4.702 -1.852 -4.098) 6.506 10.252 ( 0.963 -5.580 -23.407) 24.083 10.582 ( 1.085 -1.242 -36.669) 36.706 10.717 ( -2.539 -1.541 10.015) 10.446 11.050 ( -1.010 2.723 -6.513) 7.131 13.120 ( 0.900 3.715 5.121) 6.390 13.351 ( 0.948 3.720 -7.052) 8.029 14.373 ( -1.652 0.983 1.752) 2.601 14.475 ( -0.855 1.875 -3.125) 3.743 15.731 ( 0.707 -3.841 6.178) 7.309 15.834 ( 0.469 -3.436 0.546) 3.511 17.977 ( 0.131 2.729 6.751) 7.282 18.005 ( 0.973 3.046 5.529) 6.387 27.181 ( 0.222 0.423 2.052) 2.106 27.226 ( -0.070 0.064 -0.042) 0.104 27.914 ( 3.171 -8.009 15.178) 17.452 28.149 ( 4.741 -13.938 7.504) 16.524 30.151 ( 7.265 3.417 10.265) 13.032 30.501 ( 3.155 1.767 -0.882) 3.722 30.624 ( -3.943 -0.991 0.170) 4.069 31.066 ( -9.883 -4.118 -19.601) 22.335 ======================= Grid point 344 (115/155) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 3.055 7.569) 8.163 1.297 ( 0.000 0.372 -2.308) 2.338 1.677 ( 0.000 16.149 8.233) 18.127 1.835 ( 0.000 6.346 0.071) 6.346 2.542 ( 0.000 2.900 12.424) 12.758 2.980 ( -0.000 -0.309 1.593) 1.623 3.057 ( -0.000 -3.656 16.613) 17.011 3.167 ( -0.000 -0.801 -14.509) 14.531 3.247 ( 0.000 2.293 10.349) 10.600 3.330 ( 0.000 2.950 -11.187) 11.569 3.826 ( 0.000 4.293 29.112) 29.427 4.507 ( 0.000 10.379 7.217) 12.642 4.665 ( -0.000 -4.464 12.033) 12.834 4.895 ( 0.000 5.074 7.223) 8.827 5.131 ( 0.000 6.506 -3.820) 7.545 5.323 ( -0.000 -5.104 5.888) 7.793 5.619 ( 0.000 4.748 -14.275) 15.044 5.947 ( -0.000 -4.487 -17.587) 18.150 6.303 ( -0.000 -2.733 4.890) 5.602 6.463 ( -0.000 -1.185 -1.985) 2.311 7.158 ( -0.000 -4.770 9.096) 10.271 7.384 ( -0.000 -1.960 -3.276) 3.818 10.325 ( -0.000 -6.006 -24.636) 25.357 10.603 ( -0.000 -0.713 -35.934) 35.941 10.710 ( -0.000 -1.726 8.812) 8.980 11.005 ( 0.000 3.418 -5.692) 6.640 13.088 ( 0.000 3.586 5.162) 6.286 13.318 ( 0.000 3.701 -6.994) 7.913 14.349 ( 0.000 0.844 1.980) 2.152 14.447 ( 0.000 1.832 -2.839) 3.379 15.779 ( -0.000 -3.653 5.992) 7.018 15.873 ( -0.000 -2.854 0.932) 3.003 17.940 ( 0.000 3.888 7.009) 8.016 17.990 ( 0.000 1.699 5.365) 5.628 27.179 ( 0.000 0.374 1.899) 1.935 27.224 ( 0.000 0.083 -0.151) 0.172 28.024 ( -0.000 -7.164 16.009) 17.538 28.373 ( -0.000 -18.513 3.193) 18.787 30.213 ( -0.000 -0.053 15.781) 15.781 30.473 ( 0.000 0.700 3.652) 3.719 30.633 ( 0.000 0.526 -4.199) 4.232 30.988 ( -0.000 -0.605 -22.972) 22.980 ======================= Grid point 349 (116/155) ======================= q-point: ( 0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.853 -0.000 1.150) 1.431 1.375 ( -1.380 -0.000 -0.803) 1.597 1.636 ( 6.334 0.000 7.742) 10.003 1.907 ( 5.188 0.000 -4.410) 6.809 3.010 ( -2.159 -0.000 26.570) 26.658 3.261 ( 1.251 0.000 18.292) 18.335 3.678 ( -5.966 -0.000 15.250) 16.375 3.719 ( -5.541 -0.000 5.616) 7.889 4.198 ( 11.021 0.000 8.918) 14.177 4.329 ( 1.774 0.000 -6.233) 6.480 4.405 ( 17.596 0.000 -8.397) 19.497 4.525 ( -19.469 -0.000 1.029) 19.496 4.634 ( -0.367 -0.000 -2.386) 2.414 4.689 ( -17.223 -0.000 13.438) 21.845 5.138 ( -2.619 -0.000 -13.729) 13.977 5.263 ( -6.301 -0.000 -10.724) 12.438 5.343 ( -6.465 -0.000 4.328) 7.780 5.537 ( -0.338 -0.000 -5.299) 5.310 6.364 ( 3.205 0.000 6.634) 7.368 6.575 ( -0.298 -0.000 -3.196) 3.210 6.790 ( 7.649 0.000 7.411) 10.650 7.047 ( 5.483 0.000 -6.163) 8.250 10.140 ( -2.732 -0.000 -22.647) 22.811 10.492 ( 0.133 0.000 -36.464) 36.464 10.856 ( -4.423 -0.000 8.745) 9.800 11.104 ( 1.139 0.000 -4.397) 4.542 13.142 ( 2.052 0.000 4.394) 4.850 13.346 ( 2.172 0.000 -5.539) 5.949 14.516 ( -0.569 -0.000 -1.435) 1.543 14.550 ( 1.183 0.000 -3.257) 3.465 15.607 ( -1.233 -0.000 5.827) 5.956 15.731 ( -1.466 -0.000 -0.595) 1.582 17.948 ( 2.791 0.000 10.051) 10.431 18.035 ( 2.620 0.000 5.251) 5.868 27.180 ( 0.476 0.000 3.176) 3.212 27.231 ( -0.384 -0.000 0.289) 0.481 27.599 ( -2.880 -0.000 12.432) 12.761 27.762 ( -1.889 -0.000 7.009) 7.259 29.863 ( 6.850 0.000 6.831) 9.674 30.275 ( 6.232 0.000 -11.456) 13.042 31.020 ( -7.236 -0.000 7.613) 10.503 31.404 ( -8.515 -0.000 -11.072) 13.968 ======================= Grid point 350 (117/155) ======================= q-point: (-0.60 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -1.271 0.013 0.771) 1.487 1.344 ( -2.022 0.125 -0.295) 2.047 1.747 ( 5.356 -1.653 7.039) 8.999 1.989 ( 4.738 1.006 -3.530) 5.993 2.970 ( -1.733 1.057 26.617) 26.695 3.261 ( -0.863 1.483 15.838) 15.930 3.521 ( -10.199 1.759 13.619) 17.105 3.591 ( -11.356 -2.286 7.775) 13.952 4.055 ( -22.865 3.759 -1.791) 23.241 4.059 ( -28.220 2.589 -4.138) 28.639 4.367 ( 4.940 1.354 7.303) 8.920 4.593 ( -6.046 1.770 2.649) 6.834 4.631 ( 6.911 -1.877 6.500) 9.671 4.694 ( 12.409 -1.714 1.468) 12.613 5.149 ( 5.144 3.758 -9.329) 11.296 5.213 ( 4.261 -3.377 -14.541) 15.525 5.320 ( -0.046 0.811 2.071) 2.225 5.561 ( -0.612 -5.778 -8.954) 10.674 6.387 ( -0.193 0.581 5.064) 5.101 6.551 ( -2.721 -0.048 -2.550) 3.729 6.912 ( 6.669 0.637 6.814) 9.556 7.130 ( 4.227 0.135 -4.627) 6.269 10.106 ( -1.726 -1.083 -22.121) 22.214 10.501 ( 0.580 -0.383 -37.509) 37.516 10.785 ( -4.090 -0.481 10.659) 11.427 11.117 ( 0.557 0.280 -6.307) 6.337 13.174 ( 2.247 1.008 4.535) 5.160 13.384 ( 2.791 0.835 -5.957) 6.631 14.492 ( -2.059 0.374 -0.385) 2.128 14.557 ( -0.159 0.298 -3.484) 3.500 15.598 ( -0.465 -1.128 5.538) 5.670 15.717 ( -0.930 -1.175 -0.663) 1.639 17.991 ( 2.346 0.448 9.577) 9.871 18.072 ( 2.007 0.780 5.175) 5.606 27.187 ( 0.407 0.200 2.852) 2.888 27.226 ( -0.366 -0.278 0.488) 0.670 27.582 ( 0.168 -1.384 13.765) 13.835 27.766 ( 1.640 -1.049 6.447) 6.735 29.995 ( 8.948 0.954 5.437) 10.514 30.386 ( 7.349 1.603 -12.080) 14.230 30.873 ( -9.592 -0.102 7.544) 12.203 31.242 ( -11.685 -2.633 -10.683) 16.050 ======================= Grid point 351 (118/155) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -2.448 1.024 1.160) 2.896 1.318 ( -1.213 -0.449 -0.296) 1.327 1.844 ( 3.941 -1.493 6.380) 7.646 2.040 ( 3.620 2.994 -1.915) 5.073 2.926 ( -2.593 1.185 22.850) 23.027 3.161 ( -9.619 1.538 7.893) 12.537 3.310 ( -22.685 1.756 6.270) 23.601 3.360 ( -4.778 1.733 14.063) 14.953 3.634 ( -14.575 1.475 -1.366) 14.713 3.665 ( -18.331 2.613 -1.911) 18.614 4.292 ( -6.506 7.196 6.728) 11.806 4.496 ( -4.509 -2.571 6.143) 8.043 4.800 ( 9.281 0.552 8.757) 12.772 4.887 ( 9.511 -0.046 4.050) 10.337 5.167 ( 5.696 7.151 0.321) 9.148 5.324 ( 1.843 1.615 -1.219) 2.737 5.430 ( 8.610 -8.602 -12.740) 17.619 5.625 ( 0.481 -5.807 -13.767) 14.950 6.358 ( -2.238 -0.049 1.855) 2.907 6.478 ( -5.692 0.105 -2.882) 6.381 6.999 ( 4.300 0.632 6.201) 7.573 7.196 ( 3.515 -0.776 -4.404) 5.688 10.106 ( -0.664 -2.774 -21.891) 22.076 10.520 ( 0.853 -1.003 -38.075) 38.097 10.729 ( -3.226 -0.808 11.890) 12.346 11.116 ( 0.124 0.939 -7.496) 7.556 13.195 ( 2.094 2.131 4.703) 5.572 13.418 ( 2.859 2.069 -6.729) 7.599 14.443 ( -2.796 0.696 0.956) 3.036 14.540 ( -0.923 0.928 -3.600) 3.830 15.614 ( 0.072 -2.397 5.469) 5.972 15.725 ( -0.378 -2.509 -0.501) 2.586 18.016 ( 1.542 1.106 8.859) 9.060 18.085 ( 1.190 1.863 5.074) 5.535 27.190 ( 0.350 0.369 2.442) 2.494 27.225 ( -0.160 -0.299 0.424) 0.543 27.634 ( 2.302 -4.258 15.422) 16.164 27.833 ( 3.200 -3.287 6.777) 8.183 30.135 ( 9.394 2.757 4.162) 10.638 30.481 ( 6.374 2.686 -11.065) 13.049 30.715 ( -8.896 -0.671 6.899) 11.278 31.076 ( -12.365 -5.253 -11.662) 17.790 ======================= Grid point 352 (119/155) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -2.251 2.014 2.814) 4.128 1.306 ( -0.741 -0.347 -1.050) 1.331 1.907 ( 2.230 -0.061 5.771) 6.187 2.042 ( 1.976 6.013 0.267) 6.335 2.775 ( -14.188 1.691 7.910) 16.332 2.974 ( -8.556 -1.031 1.956) 8.837 3.024 ( -4.326 1.531 17.221) 17.822 3.286 ( -2.927 2.789 5.066) 6.481 3.398 ( -8.649 2.921 6.020) 10.935 3.458 ( -6.490 1.079 -3.151) 7.295 4.096 ( -4.867 9.055 12.367) 16.082 4.467 ( -3.410 -4.627 4.750) 7.456 4.885 ( 6.652 8.709 8.591) 13.925 5.008 ( 3.980 0.688 8.243) 9.179 5.197 ( 3.234 2.429 11.797) 12.471 5.327 ( 2.297 5.059 -4.652) 7.246 5.626 ( 2.508 -9.741 -15.344) 18.347 5.692 ( 2.262 -2.384 -14.470) 14.838 6.310 ( -5.020 -0.763 -0.745) 5.132 6.401 ( -1.885 -1.483 -3.365) 4.132 7.050 ( 2.010 -0.570 6.820) 7.133 7.271 ( 2.980 -2.462 -5.078) 6.382 10.141 ( 0.094 -4.516 -22.129) 22.586 10.549 ( 0.723 -1.608 -38.240) 38.281 10.693 ( -2.010 -0.785 12.383) 12.570 11.100 ( -0.224 1.915 -7.911) 8.142 13.196 ( 1.269 3.154 4.820) 5.898 13.430 ( 1.763 3.400 -7.477) 8.401 14.392 ( -1.957 0.746 2.198) 3.036 14.512 ( -0.775 1.458 -3.568) 3.932 15.649 ( 0.254 -3.500 5.685) 6.681 15.755 ( 0.003 -3.584 -0.162) 3.587 18.020 ( 0.679 1.670 8.027) 8.227 18.074 ( 0.572 2.822 4.930) 5.709 27.191 ( 0.254 0.429 2.119) 2.177 27.225 ( -0.033 -0.125 0.298) 0.325 27.740 ( 2.320 -7.417 16.310) 18.067 27.937 ( 2.667 -6.478 7.803) 10.487 30.241 ( 7.212 4.642 4.970) 9.912 30.532 ( -0.107 1.079 -0.543) 1.213 30.615 ( -0.724 0.136 -1.947) 2.082 30.945 ( -10.007 -6.564 -15.323) 19.443 ======================= Grid point 353 (120/155) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 2.774 4.639) 5.405 1.301 ( -0.000 -0.040 -1.686) 1.686 1.913 ( 0.000 3.073 5.155) 6.002 1.976 ( 0.000 8.920 2.430) 9.245 2.607 ( 0.000 2.662 8.108) 8.534 2.925 ( -0.000 -3.361 -2.309) 4.078 3.006 ( -0.000 -0.807 19.375) 19.391 3.205 ( 0.000 3.396 -6.274) 7.134 3.307 ( 0.000 3.058 12.881) 13.239 3.384 ( 0.000 1.928 -6.672) 6.945 3.959 ( 0.000 8.230 18.646) 20.381 4.488 ( -0.000 -5.197 1.791) 5.497 4.838 ( 0.000 12.544 15.257) 19.752 4.997 ( 0.000 3.996 9.140) 9.976 5.231 ( -0.000 -2.542 12.501) 12.757 5.279 ( 0.000 7.141 -5.474) 8.998 5.685 ( 0.000 0.087 -19.347) 19.347 5.786 ( -0.000 -8.880 -15.546) 17.904 6.260 ( -0.000 -1.205 2.482) 2.759 6.421 ( -0.000 -2.687 -4.022) 4.837 7.083 ( -0.000 -2.190 8.138) 8.428 7.331 ( -0.000 -3.011 -5.274) 6.073 10.198 ( -0.000 -5.617 -22.775) 23.458 10.574 ( -0.000 -1.772 -37.818) 37.859 10.683 ( -0.000 -0.894 11.797) 11.831 11.072 ( 0.000 2.729 -7.546) 8.024 13.170 ( 0.000 3.791 4.910) 6.203 13.404 ( 0.000 4.119 -7.585) 8.631 14.367 ( 0.000 0.758 2.546) 2.656 14.487 ( 0.000 1.772 -3.367) 3.805 15.693 ( -0.000 -4.101 6.010) 7.275 15.797 ( -0.000 -3.982 0.240) 3.989 18.005 ( 0.000 2.183 7.311) 7.630 18.047 ( 0.000 3.240 4.909) 5.882 27.188 ( 0.000 0.463 1.972) 2.026 27.226 ( 0.000 0.011 0.151) 0.151 27.851 ( -0.000 -8.794 15.907) 18.176 28.053 ( -0.000 -10.718 8.460) 13.654 30.264 ( 0.000 4.185 9.396) 10.286 30.489 ( 0.000 0.716 3.588) 3.659 30.645 ( 0.000 0.537 -4.077) 4.113 30.910 ( -0.000 -5.982 -21.208) 22.035 ======================= Grid point 360 (121/155) ======================= q-point: ( 0.40 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -1.195 -0.000 0.461) 1.281 1.307 ( -2.177 -0.000 0.242) 2.190 1.824 ( 4.415 0.000 6.975) 8.254 2.070 ( 3.978 0.000 -3.535) 5.322 2.938 ( -3.445 -0.000 24.225) 24.469 3.198 ( -9.315 -0.000 7.619) 12.034 3.270 ( -19.269 -0.000 10.405) 21.899 3.422 ( -6.312 -0.000 12.755) 14.231 3.649 ( -17.523 -0.000 0.070) 17.524 3.697 ( -19.082 -0.000 -1.833) 19.170 4.382 ( -3.026 -0.000 1.657) 3.450 4.457 ( -8.020 -0.000 9.758) 12.631 4.796 ( 12.351 0.000 8.502) 14.994 4.895 ( 8.270 0.000 6.710) 10.650 5.280 ( 7.372 0.000 -9.204) 11.792 5.304 ( 8.086 0.000 -10.527) 13.274 5.382 ( 3.904 0.000 -5.793) 6.986 5.516 ( 0.776 0.000 -7.867) 7.905 6.360 ( -3.107 -0.000 2.567) 4.030 6.477 ( -5.721 -0.000 -2.459) 6.227 7.007 ( 3.976 0.000 5.502) 6.788 7.186 ( 2.498 0.000 -4.291) 4.965 10.075 ( -1.109 -0.000 -21.668) 21.696 10.509 ( 0.640 0.000 -38.715) 38.721 10.721 ( -3.036 -0.000 12.645) 13.004 11.127 ( 0.401 0.000 -7.866) 7.876 13.219 ( 2.232 0.000 4.547) 5.066 13.442 ( 3.230 0.000 -6.803) 7.531 14.450 ( -2.867 -0.000 1.032) 3.047 14.550 ( -0.788 -0.000 -3.667) 3.751 15.587 ( -0.104 -0.000 5.110) 5.112 15.696 ( -0.612 -0.000 -0.706) 0.935 18.028 ( 1.680 0.000 9.256) 9.407 18.105 ( 1.310 0.000 5.223) 5.385 27.195 ( 0.371 0.000 2.415) 2.444 27.220 ( -0.120 -0.000 0.644) 0.655 27.589 ( 1.522 0.000 15.404) 15.479 27.798 ( 2.629 0.000 6.255) 6.785 30.166 ( 10.144 0.000 3.100) 10.607 30.515 ( 6.212 0.000 -12.923) 14.338 30.708 ( -8.905 -0.000 6.532) 11.043 31.012 ( -13.089 -0.000 -8.786) 15.765 ======================= Grid point 362 (122/155) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -1.529 1.342 1.234) 2.379 1.293 ( -0.838 -0.796 -0.092) 1.159 1.889 ( 2.535 -0.833 6.762) 7.269 2.118 ( 2.429 1.540 -2.868) 4.062 2.782 ( -14.530 -0.373 6.746) 16.024 2.983 ( -10.530 1.221 0.115) 10.601 3.040 ( -5.748 -0.276 21.965) 22.706 3.345 ( -2.931 2.008 6.849) 7.716 3.448 ( -7.034 1.821 5.299) 8.993 3.472 ( -6.845 -0.057 4.301) 8.084 4.274 ( -3.889 6.666 4.874) 9.128 4.380 ( -3.699 -3.689 7.676) 9.285 4.972 ( 6.174 1.440 11.312) 12.967 5.002 ( 5.725 -1.150 10.571) 12.076 5.334 ( 3.492 7.482 -1.010) 8.318 5.405 ( 4.657 0.749 -8.117) 9.388 5.463 ( 2.545 -3.308 -10.066) 10.897 5.606 ( 4.457 -4.819 -11.342) 13.105 6.301 ( -3.550 -0.152 -0.809) 3.644 6.376 ( -5.310 -0.696 -3.148) 6.212 7.051 ( 1.580 0.320 4.823) 5.085 7.225 ( 1.409 -1.429 -4.923) 5.316 10.071 ( -0.434 -1.789 -21.518) 21.597 10.522 ( 0.459 -0.705 -39.320) 39.329 10.682 ( -1.630 -0.224 13.768) 13.866 11.128 ( 0.183 0.691 -8.618) 8.648 13.244 ( 1.426 1.220 4.652) 5.017 13.484 ( 2.278 1.403 -7.806) 8.252 14.403 ( -2.182 0.275 2.478) 3.313 14.533 ( -0.710 0.545 -3.836) 3.939 15.595 ( 0.057 -1.401 4.974) 5.168 15.697 ( -0.255 -1.540 -0.609) 1.676 18.046 ( 0.820 0.685 8.825) 8.890 18.116 ( 0.590 0.991 5.187) 5.314 27.199 ( 0.247 0.253 2.138) 2.167 27.221 ( 0.021 -0.227 0.612) 0.653 27.630 ( 1.526 -2.617 16.748) 17.020 27.850 ( 1.997 -1.949 6.657) 7.219 30.325 ( 9.294 2.549 0.635) 9.658 30.547 ( -3.258 0.353 -0.068) 3.277 30.628 ( 1.445 0.877 -6.017) 6.250 30.819 ( -11.277 -4.176 -8.467) 14.707 ======================= Grid point 363 (123/155) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 2.040 2.386) 3.139 1.294 ( -0.000 -0.646 -0.724) 0.970 1.922 ( -0.000 -0.929 6.460) 6.527 2.112 ( 0.000 3.666 -1.509) 3.965 2.635 ( -0.000 -0.006 4.231) 4.231 2.882 ( -0.000 -0.557 -3.762) 3.803 3.007 ( 0.000 0.257 24.533) 24.534 3.278 ( 0.000 3.049 -2.133) 3.722 3.378 ( 0.000 3.412 17.399) 17.730 3.408 ( 0.000 0.328 -1.915) 1.943 4.153 ( 0.000 9.002 8.648) 12.483 4.389 ( -0.000 -4.029 6.654) 7.779 5.003 ( 0.000 1.803 11.013) 11.160 5.057 ( 0.000 1.660 11.346) 11.467 5.282 ( 0.000 7.659 7.512) 10.728 5.416 ( 0.000 5.095 -7.520) 9.083 5.541 ( -0.000 -8.587 -14.427) 16.789 5.695 ( -0.000 -3.089 -13.029) 13.391 6.253 ( 0.000 0.493 -0.643) 0.810 6.357 ( -0.000 -3.013 -4.505) 5.420 7.061 ( -0.000 -0.029 5.554) 5.554 7.264 ( -0.000 -2.978 -5.538) 6.288 10.097 ( -0.000 -3.571 -21.716) 22.008 10.538 ( -0.000 -1.394 -39.211) 39.236 10.670 ( -0.000 -0.304 13.760) 13.763 11.118 ( 0.000 1.515 -8.625) 8.757 13.238 ( 0.000 2.374 4.725) 5.288 13.481 ( 0.000 2.815 -8.141) 8.614 14.380 ( 0.000 0.420 3.025) 3.054 14.518 ( 0.000 1.067 -3.799) 3.946 15.618 ( -0.000 -2.700 5.220) 5.877 15.719 ( -0.000 -2.908 -0.410) 2.937 18.042 ( 0.000 1.320 8.386) 8.489 18.105 ( 0.000 1.959 5.026) 5.394 27.197 ( 0.000 0.366 2.025) 2.058 27.224 ( -0.000 -0.214 0.495) 0.539 27.689 ( -0.000 -5.538 17.140) 18.012 27.901 ( -0.000 -4.279 7.311) 8.471 30.373 ( 0.000 5.652 2.003) 5.997 30.501 ( 0.000 0.450 3.532) 3.561 30.654 ( 0.000 0.338 -3.980) 3.994 30.763 ( -0.000 -7.182 -15.862) 17.412 ======================= Grid point 373 (124/155) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.000 -0.000 1.000) 1.000 1.279 ( 0.000 0.000 0.284) 0.284 1.907 ( -0.000 -0.000 6.867) 6.867 2.148 ( -0.000 -0.000 -3.463) 3.463 2.630 ( -0.000 -0.000 3.486) 3.486 2.881 ( -0.000 -0.000 -5.357) 5.357 3.009 ( -0.000 -0.000 27.455) 27.455 3.316 ( -0.000 -0.000 -0.798) 0.798 3.407 ( -0.000 -0.000 0.451) 0.451 3.422 ( -0.000 -0.000 18.786) 18.786 4.300 ( -0.000 -0.000 -1.498) 1.498 4.306 ( 0.000 0.000 14.080) 14.080 5.007 ( -0.000 -0.000 12.584) 12.584 5.073 ( -0.000 -0.000 12.287) 12.287 5.385 ( -0.000 -0.000 -7.454) 7.454 5.466 ( 0.000 0.000 -4.118) 4.118 5.474 ( -0.000 -0.000 -8.520) 8.520 5.630 ( -0.000 -0.000 -9.449) 9.449 6.268 ( -0.000 -0.000 -2.821) 2.821 6.314 ( -0.000 -0.000 -3.606) 3.606 7.066 ( -0.000 -0.000 4.143) 4.143 7.226 ( -0.000 -0.000 -5.185) 5.185 10.058 ( -0.000 -0.000 -21.381) 21.381 10.522 ( -0.000 -0.000 -39.758) 39.758 10.667 ( -0.000 -0.000 14.438) 14.438 11.134 ( -0.000 -0.000 -8.973) 8.973 13.264 ( -0.000 -0.000 4.676) 4.676 13.513 ( -0.000 -0.000 -8.392) 8.392 14.384 ( -0.000 -0.000 3.214) 3.214 14.530 ( -0.000 -0.000 -3.966) 3.966 15.588 ( -0.000 -0.000 4.765) 4.765 15.686 ( -0.000 -0.000 -0.644) 0.644 18.057 ( -0.000 -0.000 8.810) 8.810 18.126 ( -0.000 -0.000 5.260) 5.260 27.202 ( -0.000 -0.000 2.061) 2.061 27.220 ( 0.000 0.000 0.658) 0.658 27.629 ( -0.000 -0.000 17.258) 17.258 27.857 ( -0.000 -0.000 6.654) 6.654 30.459 ( -0.000 -0.000 -2.983) 2.983 30.506 ( -0.000 -0.000 3.510) 3.510 30.658 ( -0.000 -0.000 -3.943) 3.943 30.659 ( -0.000 -0.000 -11.422) 11.422 ======================= Grid point 420 (125/155) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 0.000 -6.036) 6.036 1.203 ( 0.000 0.000 6.036) 6.036 1.431 ( 0.000 0.000 -12.678) 12.678 1.431 ( 0.000 0.000 12.678) 12.678 2.842 ( 0.000 0.000 -21.072) 21.072 2.842 ( 0.000 0.000 21.072) 21.072 3.020 ( 0.000 0.000 -6.898) 6.898 3.020 ( 0.000 0.000 6.898) 6.898 3.337 ( 0.000 0.000 -4.211) 4.211 3.337 ( 0.000 0.000 4.211) 4.211 4.321 ( 0.000 0.000 -18.862) 18.862 4.321 ( 0.000 0.000 18.862) 18.862 4.888 ( 0.000 0.000 -5.809) 5.809 4.888 ( 0.000 0.000 5.809) 5.809 4.955 ( 0.000 0.000 -1.017) 1.017 4.955 ( 0.000 0.000 1.017) 1.017 5.771 ( 0.000 0.000 -5.392) 5.392 5.771 ( 0.000 0.000 5.392) 5.392 6.468 ( 0.000 0.000 -0.075) 0.075 6.468 ( 0.000 0.000 0.075) 0.075 7.411 ( 0.000 0.000 -2.737) 2.737 7.411 ( 0.000 0.000 2.737) 2.737 10.224 ( 0.000 0.000 -0.058) 0.058 10.224 ( 0.000 0.000 0.058) 0.058 10.847 ( 0.000 0.000 -2.673) 2.673 10.847 ( 0.000 0.000 2.673) 2.673 13.112 ( 0.000 0.000 -5.901) 5.901 13.112 ( 0.000 0.000 5.901) 5.901 14.360 ( 0.000 0.000 -1.973) 1.973 14.360 ( 0.000 0.000 1.973) 1.973 15.919 ( 0.000 0.000 -1.145) 1.145 15.919 ( 0.000 0.000 1.145) 1.145 17.975 ( 0.000 0.000 -3.477) 3.477 17.975 ( 0.000 0.000 3.477) 3.477 27.205 ( 0.000 0.000 -1.424) 1.424 27.205 ( 0.000 0.000 1.424) 1.424 28.574 ( 0.000 0.000 -19.194) 19.194 28.574 ( 0.000 0.000 19.194) 19.194 30.535 ( 0.000 0.000 -4.358) 4.358 30.535 ( 0.000 0.000 4.358) 4.358 30.612 ( 0.000 0.000 -5.125) 5.125 30.612 ( 0.000 0.000 5.125) 5.125 ======================= Grid point 422 (126/155) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 2.267 -0.373 -5.073) 5.569 1.226 ( 2.267 -0.373 5.073) 5.569 1.470 ( 0.787 -5.731 -11.406) 12.789 1.470 ( 0.787 -5.731 11.406) 12.789 2.903 ( 6.879 -0.290 -18.964) 20.175 2.903 ( 6.879 -0.290 18.964) 20.175 3.109 ( 9.225 -0.845 -7.358) 11.830 3.109 ( 9.225 -0.845 7.358) 11.830 3.332 ( 0.575 1.104 -3.127) 3.366 3.332 ( 0.575 1.104 3.127) 3.366 4.355 ( 3.349 -0.353 -13.044) 13.472 4.355 ( 3.349 -0.353 13.044) 13.472 4.822 ( -3.487 -0.785 -5.471) 6.535 4.822 ( -3.487 -0.785 5.471) 6.535 5.092 ( 9.477 -2.313 -7.165) 12.104 5.092 ( 9.477 -2.313 7.165) 12.104 5.775 ( 1.312 1.501 -6.805) 7.091 5.775 ( 1.312 1.501 6.805) 7.091 6.443 ( -2.367 0.749 -1.338) 2.820 6.443 ( -2.367 0.749 1.338) 2.820 7.338 ( -7.323 1.320 -3.187) 8.095 7.338 ( -7.323 1.320 3.187) 8.095 10.203 ( -1.687 0.858 -2.427) 3.078 10.203 ( -1.687 0.858 2.427) 3.078 10.876 ( 2.968 -0.220 -3.352) 4.483 10.876 ( 2.968 -0.220 3.352) 4.483 13.120 ( 0.249 -0.924 -6.005) 6.080 13.120 ( 0.249 -0.924 6.005) 6.080 14.370 ( 0.845 -0.475 -1.969) 2.194 14.370 ( 0.845 -0.475 1.969) 2.194 15.903 ( -1.527 0.441 -1.562) 2.228 15.903 ( -1.527 0.441 1.562) 2.228 17.974 ( -0.462 -0.594 -3.083) 3.173 17.974 ( -0.462 -0.594 3.083) 3.173 27.205 ( 0.000 -0.058 -1.457) 1.459 27.205 ( 0.000 -0.058 1.457) 1.459 28.499 ( -5.995 3.944 -17.151) 18.592 28.499 ( -5.995 3.944 17.151) 18.592 30.335 ( -12.691 -0.376 -6.043) 14.062 30.335 ( -12.691 -0.376 6.043) 14.062 30.818 ( 13.700 0.632 -6.298) 15.091 30.818 ( 13.700 0.632 6.298) 15.091 ======================= Grid point 424 (127/155) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 3.035 -0.425 -3.060) 4.330 1.279 ( 3.035 -0.425 3.060) 4.330 1.570 ( 1.519 -8.750 -8.303) 12.158 1.570 ( 1.519 -8.750 8.303) 12.158 3.078 ( 11.702 -1.945 -11.866) 16.778 3.078 ( 11.702 -1.945 11.866) 16.778 3.257 ( 5.662 3.104 -6.105) 8.886 3.257 ( 5.662 3.104 6.105) 8.886 3.411 ( 10.696 -3.584 -3.756) 11.890 3.411 ( 10.696 -3.584 3.756) 11.890 4.415 ( 1.547 -1.681 -9.263) 9.541 4.415 ( 1.547 -1.681 9.263) 9.541 4.813 ( 2.934 1.299 -16.478) 16.787 4.813 ( 2.934 1.299 16.478) 16.787 5.269 ( 6.527 -2.912 -8.033) 10.752 5.269 ( 6.527 -2.912 8.033) 10.752 5.772 ( 1.675 4.933 -7.501) 9.133 5.772 ( 1.675 4.933 7.501) 9.133 6.386 ( -3.037 -0.083 -1.048) 3.214 6.386 ( -3.037 -0.083 1.048) 3.214 7.159 ( -11.249 0.902 -4.592) 12.184 7.159 ( -11.249 0.902 4.592) 12.184 10.156 ( -2.286 1.349 -5.141) 5.786 10.156 ( -2.286 1.349 5.141) 5.786 10.937 ( 3.599 -0.006 -4.112) 5.464 10.937 ( 3.599 -0.006 4.112) 5.464 13.138 ( 0.478 -1.325 -6.156) 6.315 13.138 ( 0.478 -1.325 6.156) 6.315 14.398 ( 1.611 -0.930 -1.880) 2.644 14.398 ( 1.611 -0.930 1.880) 2.644 15.862 ( -2.322 0.677 -2.277) 3.322 15.862 ( -2.322 0.677 2.277) 3.322 17.976 ( -0.303 -1.236 -2.127) 2.479 17.976 ( -0.303 -1.236 2.127) 2.479 27.207 ( 0.092 -0.129 -1.553) 1.561 27.207 ( 0.092 -0.129 1.553) 1.561 28.306 ( -9.547 6.174 -12.211) 16.684 28.306 ( -9.547 6.174 12.211) 16.684 30.153 ( -9.519 -1.190 -9.998) 13.856 30.153 ( -9.519 -1.190 9.998) 13.856 31.025 ( 11.588 1.354 -10.847) 15.930 31.025 ( 11.588 1.354 10.847) 15.930 ======================= Grid point 426 (128/155) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 2.324 -0.195 -1.234) 2.639 1.329 ( 2.324 -0.195 1.234) 2.639 1.690 ( 1.540 -8.146 -4.799) 9.579 1.690 ( 1.540 -8.146 4.799) 9.579 3.218 ( 2.912 2.403 -5.134) 6.372 3.218 ( 2.912 2.403 5.134) 6.372 3.416 ( 15.436 -4.393 -9.482) 18.641 3.416 ( 15.436 -4.393 9.482) 18.641 3.680 ( 13.376 -4.500 -3.674) 14.583 3.680 ( 13.376 -4.500 3.674) 14.583 4.432 ( -1.972 -2.567 -13.370) 13.756 4.432 ( -1.972 -2.567 13.370) 13.756 4.885 ( 7.517 3.429 -17.874) 19.691 4.885 ( 7.517 3.429 17.874) 19.691 5.326 ( -2.544 0.664 -4.521) 5.230 5.326 ( -2.544 0.664 4.521) 5.230 5.708 ( -0.213 8.494 -2.004) 8.730 5.708 ( -0.213 8.494 2.004) 8.730 6.374 ( 0.117 -2.793 -4.177) 5.026 6.374 ( 0.117 -2.793 4.177) 5.026 6.970 ( -10.080 -0.910 -6.606) 12.086 6.970 ( -10.080 -0.910 6.606) 12.086 10.103 ( -2.009 1.321 -7.409) 7.789 10.103 ( -2.009 1.321 7.409) 7.789 10.989 ( 2.548 0.314 -4.314) 5.020 10.989 ( 2.548 0.314 4.314) 5.020 13.160 ( 0.491 -1.093 -6.137) 6.253 13.160 ( 0.491 -1.093 6.137) 6.253 14.441 ( 1.933 -1.137 -1.601) 2.756 14.441 ( 1.933 -1.137 1.601) 2.756 15.816 ( -2.162 0.650 -2.816) 3.609 15.816 ( -2.162 0.650 2.816) 3.609 17.990 ( 0.145 -1.517 -1.205) 1.943 17.990 ( 0.145 -1.517 1.205) 1.943 27.212 ( 0.283 -0.221 -1.702) 1.739 27.212 ( 0.283 -0.221 1.702) 1.739 28.074 ( -9.278 5.911 -7.484) 13.305 28.074 ( -9.278 5.911 7.484) 13.305 30.036 ( -6.089 -1.487 -10.803) 12.490 30.036 ( -6.089 -1.487 10.803) 12.490 31.180 ( 8.395 1.508 -12.901) 15.466 31.180 ( 8.395 1.508 12.901) 15.466 ======================= Grid point 428 (129/155) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 1.132 -0.012 -0.196) 1.149 1.359 ( 1.132 -0.012 0.196) 1.149 1.782 ( 0.848 -4.724 -2.079) 5.231 1.782 ( 0.848 -4.724 2.079) 5.231 3.226 ( 1.201 1.603 -6.453) 6.757 3.226 ( 1.201 1.603 6.453) 6.757 3.745 ( 14.650 -4.278 -10.306) 18.416 3.745 ( 14.650 -4.278 10.306) 18.416 3.928 ( 8.695 -6.093 -4.306) 11.457 3.928 ( 8.695 -6.093 4.306) 11.457 4.427 ( 0.088 -1.481 -8.738) 8.863 4.427 ( 0.088 -1.481 8.738) 8.863 4.926 ( -1.626 4.755 -3.238) 5.979 4.926 ( -1.626 4.755 3.238) 5.979 5.193 ( -4.496 4.793 -8.595) 10.820 5.193 ( -4.496 4.793 8.595) 10.820 5.634 ( 0.136 4.469 -8.464) 9.572 5.634 ( 0.136 4.469 8.464) 9.572 6.419 ( 0.783 -2.317 -7.069) 7.480 6.419 ( 0.783 -2.317 7.069) 7.480 6.855 ( -4.972 -1.708 -6.903) 8.676 6.855 ( -4.972 -1.708 6.903) 8.676 10.064 ( -1.167 0.805 -8.759) 8.873 10.064 ( -1.167 0.805 8.759) 8.873 11.017 ( 1.179 0.319 -4.324) 4.493 11.017 ( 1.179 0.319 4.324) 4.493 13.176 ( 0.277 -0.555 -5.975) 6.007 13.176 ( 0.277 -0.555 5.975) 6.007 14.481 ( 1.362 -0.807 -1.212) 1.994 14.481 ( 1.362 -0.807 1.212) 1.994 15.780 ( -1.269 0.397 -3.094) 3.368 15.780 ( -1.269 0.397 3.094) 3.368 18.009 ( 0.274 -1.055 -1.089) 1.541 18.009 ( 0.274 -1.055 1.089) 1.541 27.220 ( 0.357 -0.237 -1.870) 1.919 27.220 ( 0.357 -0.237 1.870) 1.919 27.891 ( -5.664 3.578 -5.085) 8.411 27.891 ( -5.664 3.578 5.085) 8.411 29.973 ( -2.967 -0.988 -10.508) 10.963 29.973 ( -2.967 -0.988 10.508) 10.963 31.277 ( 4.433 0.967 -13.601) 14.338 31.277 ( 4.433 0.967 13.601) 14.338 ======================= Grid point 430 (130/155) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 -0.000 -0.137) 0.137 1.369 ( 0.000 -0.000 0.137) 0.137 1.814 ( 0.000 -0.000 -0.622) 0.622 1.814 ( 0.000 -0.000 0.622) 0.622 3.228 ( 0.000 -0.000 -6.781) 6.781 3.228 ( 0.000 -0.000 6.781) 6.781 3.905 ( 0.000 -0.000 -7.700) 7.700 3.905 ( 0.000 -0.000 7.700) 7.700 4.054 ( 0.000 -0.000 -4.417) 4.417 4.054 ( 0.000 -0.000 4.417) 4.417 4.479 ( -0.000 -0.000 -10.305) 10.305 4.479 ( -0.000 0.000 10.305) 10.305 4.783 ( 0.000 -0.000 -13.588) 13.588 4.783 ( 0.000 -0.000 13.588) 13.588 5.157 ( 0.000 -0.000 -15.519) 15.519 5.157 ( 0.000 -0.000 15.519) 15.519 5.612 ( 0.000 -0.000 -10.777) 10.777 5.612 ( 0.000 -0.000 10.777) 10.777 6.437 ( 0.000 -0.000 -6.898) 6.898 6.437 ( 0.000 -0.000 6.898) 6.898 6.826 ( 0.000 -0.000 -6.258) 6.258 6.826 ( 0.000 -0.000 6.258) 6.258 10.049 ( 0.000 -0.000 -9.181) 9.181 10.049 ( 0.000 -0.000 9.181) 9.181 11.025 ( 0.000 -0.000 -4.326) 4.326 11.025 ( 0.000 -0.000 4.326) 4.326 13.181 ( 0.000 -0.000 -5.881) 5.881 13.181 ( 0.000 -0.000 5.881) 5.881 14.498 ( 0.000 -0.000 -1.005) 1.005 14.498 ( 0.000 -0.000 1.005) 1.005 15.767 ( 0.000 -0.000 -3.174) 3.174 15.767 ( 0.000 -0.000 3.174) 3.174 18.017 ( 0.000 -0.000 -1.251) 1.251 18.017 ( 0.000 0.000 1.251) 1.251 27.225 ( 0.000 -0.000 -1.955) 1.955 27.225 ( 0.000 -0.000 1.955) 1.955 27.821 ( 0.000 -0.000 -4.545) 4.545 27.821 ( 0.000 -0.000 4.545) 4.545 29.953 ( 0.000 0.000 -10.304) 10.304 29.953 ( 0.000 -0.000 10.304) 10.304 31.310 ( 0.000 -0.000 -13.747) 13.747 31.310 ( 0.000 -0.000 13.747) 13.747 ======================= Grid point 444 (131/155) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 3.271 0.000 -3.095) 4.504 1.274 ( 3.271 0.000 3.095) 4.504 1.466 ( 2.442 0.000 -11.145) 11.409 1.466 ( 2.442 0.000 11.145) 11.409 3.056 ( 11.179 0.000 -13.679) 17.666 3.056 ( 11.179 0.000 13.679) 17.666 3.321 ( 14.860 0.000 -7.178) 16.503 3.321 ( 14.860 0.000 7.178) 16.503 3.345 ( 0.710 0.000 -0.290) 0.767 3.345 ( 0.710 0.000 0.290) 0.767 4.396 ( 0.981 0.000 -5.698) 5.781 4.396 ( 0.981 0.000 5.698) 5.781 4.831 ( 4.716 0.000 -16.432) 17.095 4.831 ( 4.716 0.000 16.432) 17.095 5.233 ( 7.654 0.000 -3.354) 8.356 5.233 ( 7.654 0.000 3.354) 8.356 5.826 ( 3.525 0.000 -4.339) 5.590 5.826 ( 3.525 0.000 4.339) 5.590 6.385 ( -4.594 -0.000 -1.686) 4.893 6.385 ( -4.594 -0.000 1.686) 4.893 7.170 ( -12.371 -0.000 -3.925) 12.978 7.170 ( -12.371 -0.000 3.925) 12.978 10.170 ( -2.535 -0.000 -2.834) 3.803 10.170 ( -2.535 -0.000 2.834) 3.803 10.937 ( 3.846 0.000 -2.479) 4.576 10.937 ( 3.846 0.000 2.479) 4.576 13.124 ( 0.879 0.000 -6.115) 6.177 13.124 ( 0.879 0.000 6.115) 6.177 14.388 ( 1.603 0.000 -1.752) 2.375 14.388 ( 1.603 0.000 1.752) 2.375 15.868 ( -2.651 -0.000 -1.952) 3.292 15.868 ( -2.651 -0.000 1.952) 3.292 17.963 ( -0.261 -0.000 -2.738) 2.751 17.963 ( -0.261 -0.000 2.738) 2.751 27.206 ( 0.083 0.000 -1.575) 1.577 27.206 ( 0.083 0.000 1.575) 1.577 28.376 ( -10.437 -0.000 -14.309) 17.711 28.376 ( -10.437 -0.000 14.309) 17.711 30.140 ( -9.619 -0.000 -9.270) 13.358 30.140 ( -9.619 -0.000 9.270) 13.358 31.039 ( 11.482 0.000 -8.064) 14.031 31.039 ( 11.482 0.000 8.064) 14.031 ======================= Grid point 446 (132/155) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 2.644 -0.010 -1.262) 2.930 1.327 ( 2.644 -0.010 1.262) 2.930 1.545 ( 3.711 -4.232 -9.173) 10.763 1.545 ( 3.711 -4.232 9.173) 10.763 3.256 ( 8.592 0.443 -2.031) 8.840 3.256 ( 8.592 0.443 2.031) 8.840 3.375 ( 7.951 0.495 -8.255) 11.472 3.375 ( 7.951 0.495 8.255) 11.472 3.594 ( 13.805 -2.886 -5.627) 15.184 3.594 ( 13.805 -2.886 5.627) 15.184 4.395 ( -1.099 -0.870 -14.571) 14.638 4.395 ( -1.099 -0.870 14.571) 14.638 4.943 ( 7.966 1.609 -19.312) 20.953 4.943 ( 7.966 1.609 19.312) 20.953 5.320 ( 1.438 -0.537 -2.843) 3.231 5.320 ( 1.438 -0.537 2.843) 3.231 5.857 ( 0.481 4.324 -0.437) 4.373 5.857 ( 0.481 4.324 0.437) 4.373 6.320 ( -2.313 -1.807 -1.778) 3.432 6.320 ( -2.313 -1.807 1.778) 3.432 6.957 ( -11.530 -0.332 -6.096) 13.047 6.957 ( -11.530 -0.332 6.096) 13.047 10.123 ( -2.625 0.458 -5.355) 5.982 10.123 ( -2.625 0.458 5.355) 5.982 10.994 ( 2.679 0.136 -1.874) 3.272 10.994 ( 2.679 0.136 1.874) 3.272 13.146 ( 1.355 -0.293 -6.057) 6.213 13.146 ( 1.355 -0.293 6.057) 6.213 14.423 ( 2.124 -0.469 -1.410) 2.592 14.423 ( 2.124 -0.469 1.410) 2.592 15.819 ( -2.909 -0.072 -2.620) 3.915 15.819 ( -2.909 -0.072 2.620) 3.915 17.969 ( 0.597 -0.505 -2.213) 2.347 17.969 ( 0.597 -0.505 2.213) 2.347 27.209 ( 0.244 -0.076 -1.701) 1.720 27.209 ( 0.244 -0.076 1.701) 1.720 28.169 ( -11.430 2.524 -9.737) 15.226 28.169 ( -11.430 2.524 9.737) 15.226 30.014 ( -5.523 -0.521 -11.084) 12.394 30.014 ( -5.523 -0.521 11.084) 12.394 31.201 ( 7.671 0.467 -10.565) 13.065 31.201 ( 7.671 0.467 10.565) 13.065 ======================= Grid point 448 (133/155) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 1.248 0.070 -0.159) 1.260 1.360 ( 1.248 0.070 0.159) 1.260 1.664 ( 3.824 -5.264 -6.429) 9.147 1.664 ( 3.824 -5.264 6.429) 9.147 3.287 ( 1.394 3.375 -4.267) 5.616 3.287 ( 1.394 3.375 4.267) 5.616 3.650 ( 17.555 -3.859 -7.190) 19.359 3.650 ( 17.555 -3.859 7.190) 19.359 3.822 ( 7.989 -3.805 -4.205) 9.797 3.822 ( 7.989 -3.805 4.205) 9.797 4.398 ( 0.989 -0.987 -13.450) 13.522 4.398 ( 0.989 -0.987 13.450) 13.522 5.013 ( 0.948 3.019 -12.691) 13.080 5.013 ( 0.948 3.019 12.691) 13.080 5.282 ( -3.758 3.044 -5.199) 7.101 5.282 ( -3.758 3.044 5.200) 7.101 5.726 ( -8.150 3.899 -8.404) 12.338 5.726 ( -8.150 3.899 8.404) 12.338 6.367 ( 3.584 -2.289 -7.341) 8.484 6.367 ( 3.584 -2.289 7.341) 8.484 6.823 ( -4.492 -1.156 -7.130) 8.505 6.823 ( -4.492 -1.156 7.130) 8.505 10.076 ( -2.153 0.355 -7.615) 7.921 10.076 ( -2.153 0.355 7.615) 7.921 11.023 ( 0.935 0.210 -2.570) 2.743 11.023 ( 0.935 0.210 2.570) 2.743 13.172 ( 1.339 0.036 -5.887) 6.038 13.172 ( 1.339 0.036 5.887) 6.038 14.465 ( 1.983 -0.609 -0.968) 2.289 14.465 ( 1.983 -0.609 0.968) 2.289 15.776 ( -2.369 -0.508 -3.066) 3.907 15.776 ( -2.369 -0.508 3.066) 3.907 17.992 ( 1.354 -0.519 -1.828) 2.333 17.992 ( 1.354 -0.519 1.828) 2.333 27.215 ( 0.374 -0.185 -1.804) 1.852 27.215 ( 0.374 -0.185 1.804) 1.852 27.962 ( -8.820 2.743 -6.221) 11.136 27.962 ( -8.820 2.743 6.221) 11.136 29.959 ( -1.671 -0.351 -11.228) 11.357 29.959 ( -1.671 -0.351 11.228) 11.357 31.289 ( 3.068 0.235 -12.017) 12.404 31.289 ( 3.068 0.235 12.017) 12.404 ======================= Grid point 450 (134/155) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -0.049 0.027 -0.318) 0.323 1.369 ( -0.049 0.027 0.318) 0.323 1.773 ( 3.181 -3.389 -4.032) 6.153 1.773 ( 3.181 -3.389 4.032) 6.153 3.267 ( 0.474 3.214 -6.437) 7.210 3.267 ( 0.474 3.214 6.437) 7.210 3.894 ( 0.741 -1.087 -7.567) 7.680 3.894 ( 0.741 -1.087 7.567) 7.680 4.001 ( 12.484 -3.941 -5.385) 14.156 4.001 ( 12.484 -3.941 5.385) 14.156 4.461 ( 3.770 -1.127 -9.353) 10.147 4.461 ( 3.770 -1.127 9.353) 10.147 4.858 ( -10.014 5.439 -11.868) 16.453 4.858 ( -10.014 5.439 11.868) 16.453 5.184 ( -4.097 2.383 -10.060) 11.121 5.184 ( -4.097 2.383 10.060) 11.121 5.585 ( -6.503 -2.295 -9.417) 11.672 5.585 ( -6.503 -2.295 9.417) 11.672 6.438 ( 2.808 0.043 -7.234) 7.760 6.438 ( 2.808 0.043 7.234) 7.760 6.822 ( 2.627 -0.276 -6.547) 7.059 6.822 ( 2.627 -0.276 6.547) 7.059 10.046 ( -1.207 -0.257 -9.045) 9.129 10.046 ( -1.207 -0.257 9.045) 9.129 11.025 ( -0.456 -0.004 -4.131) 4.156 11.025 ( -0.456 -0.004 4.131) 4.156 13.189 ( 1.105 0.622 -5.770) 5.908 13.189 ( 1.105 0.622 5.770) 5.908 14.496 ( 0.934 -0.173 -0.820) 1.255 14.496 ( 0.934 -0.173 0.820) 1.255 15.753 ( -1.333 -1.119 -3.211) 3.653 15.753 ( -1.333 -1.119 3.211) 3.653 18.020 ( 1.483 0.164 -1.663) 2.234 18.020 ( 1.483 0.164 1.663) 2.234 27.223 ( 0.214 -0.177 -1.842) 1.863 27.223 ( 0.214 -0.177 1.842) 1.863 27.832 ( -3.814 0.839 -4.792) 6.182 27.832 ( -3.814 0.839 4.792) 6.182 29.959 ( 1.633 0.489 -10.769) 10.903 29.959 ( 1.633 0.489 10.769) 10.903 31.302 ( -1.698 -0.622 -12.785) 12.912 31.302 ( -1.698 -0.622 12.785) 12.912 ======================= Grid point 452 (135/155) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -1.063 -0.026 -0.261) 1.095 1.359 ( -1.063 -0.026 0.261) 1.095 1.837 ( 2.307 0.355 -2.147) 3.172 1.837 ( 2.307 0.355 2.147) 3.172 3.235 ( -0.645 2.403 -7.788) 8.176 3.235 ( -0.645 2.403 7.788) 8.176 3.808 ( -9.738 1.435 -8.502) 13.007 3.808 ( -9.738 1.435 8.502) 13.007 4.074 ( -7.269 7.098 -0.513) 10.173 4.074 ( -7.269 7.098 0.513) 10.173 4.448 ( 0.185 0.281 -3.025) 3.044 4.448 ( 0.185 0.281 3.025) 3.044 4.838 ( 5.212 -2.942 -8.777) 10.624 4.838 ( 5.212 -2.942 8.777) 10.624 5.099 ( -2.859 -3.673 -8.855) 10.004 5.099 ( -2.859 -3.673 8.855) 10.004 5.539 ( -3.756 -4.298 -6.850) 8.917 5.539 ( -3.756 -4.298 6.850) 8.917 6.461 ( 0.710 1.509 -6.433) 6.646 6.461 ( 0.710 1.509 6.433) 6.646 6.890 ( 5.866 1.527 -6.773) 9.089 6.890 ( 5.866 1.527 6.773) 9.089 10.043 ( -0.040 -1.126 -9.617) 9.683 10.043 ( -0.040 -1.126 9.617) 9.683 11.010 ( -1.430 -0.303 -5.513) 5.703 11.010 ( -1.430 -0.303 5.513) 5.703 13.196 ( 0.920 1.262 -5.821) 6.027 13.196 ( 0.920 1.262 5.821) 6.027 14.497 ( -0.547 0.624 -1.223) 1.478 14.497 ( -0.547 0.624 1.223) 1.478 15.756 ( -0.114 -1.759 -3.144) 3.604 15.756 ( -0.114 -1.759 3.144) 3.604 18.034 ( 1.096 1.255 -1.342) 2.140 18.034 ( 1.096 1.255 1.342) 2.140 27.224 ( -0.197 0.075 -1.773) 1.785 27.224 ( -0.197 0.075 1.773) 1.785 27.824 ( 1.876 -2.511 -4.675) 5.629 27.824 ( 1.876 -2.511 4.675) 5.629 30.000 ( 4.389 1.518 -10.375) 11.367 30.000 ( 4.389 1.518 10.375) 11.367 31.248 ( -6.003 -1.685 -13.250) 14.644 31.248 ( -6.003 -1.685 13.250) 14.644 ======================= Grid point 454 (136/155) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -1.958 0.148 -0.901) 2.160 1.333 ( -1.958 0.148 0.901) 2.160 1.840 ( 1.373 5.035 -0.893) 5.295 1.840 ( 1.373 5.035 0.893) 5.295 3.197 ( -1.740 0.914 -7.944) 8.184 3.197 ( -1.740 0.914 7.944) 8.184 3.534 ( -16.739 5.932 -9.837) 20.302 3.534 ( -16.739 5.932 9.837) 20.302 3.775 ( -15.298 4.502 -3.352) 16.295 3.775 ( -15.298 4.502 3.352) 16.295 4.495 ( 3.674 3.002 -10.235) 11.281 4.495 ( 3.674 3.002 10.235) 11.281 4.818 ( -6.216 -2.338 -12.998) 14.596 4.818 ( -6.216 -2.338 12.998) 14.596 5.263 ( 8.857 -5.635 -2.234) 10.733 5.263 ( 8.857 -5.635 2.234) 10.733 5.540 ( -2.202 -6.373 -3.694) 7.688 5.540 ( -2.202 -6.373 3.694) 7.688 6.428 ( -1.699 2.190 -5.109) 5.812 6.428 ( -1.699 2.190 5.109) 5.812 6.993 ( 8.093 1.199 -6.574) 10.495 6.993 ( 8.093 1.199 6.574) 10.495 10.068 ( 1.004 -1.940 -9.369) 9.621 10.068 ( 1.004 -1.940 9.369) 9.621 10.982 ( -2.288 -0.317 -6.400) 6.804 10.982 ( -2.288 -0.317 6.400) 6.804 13.193 ( 0.744 1.942 -5.994) 6.345 13.193 ( 0.744 1.942 5.994) 6.345 14.467 ( -1.560 1.263 -1.775) 2.680 14.467 ( -1.560 1.263 1.775) 2.680 15.785 ( 0.944 -2.234 -2.950) 3.819 15.785 ( 0.944 -2.234 2.950) 3.819 18.031 ( 0.663 2.152 -0.560) 2.321 18.031 ( 0.663 2.152 0.560) 2.321 27.217 ( -0.275 0.261 -1.614) 1.658 27.217 ( -0.275 0.261 1.614) 1.658 27.941 ( 6.104 -6.064 -5.372) 10.143 27.941 ( 6.104 -6.064 5.372) 10.143 30.075 ( 6.752 2.154 -10.380) 12.569 30.075 ( 6.752 2.154 10.380) 12.569 31.138 ( -9.372 -2.431 -13.461) 16.581 31.138 ( -9.372 -2.431 13.461) 16.581 ======================= Grid point 456 (137/155) ======================= q-point: (-0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -2.558 0.573 -2.434) 3.577 1.290 ( -2.558 0.573 2.434) 3.577 1.778 ( 0.586 9.372 -3.154) 9.906 1.778 ( 0.586 9.372 3.154) 9.906 3.122 ( -9.952 1.613 -8.355) 13.093 3.122 ( -9.952 1.613 8.355) 13.093 3.230 ( -8.040 1.531 -7.426) 11.051 3.230 ( -8.040 1.531 7.426) 11.051 3.486 ( -13.377 3.369 -2.836) 14.083 3.486 ( -13.377 3.369 2.836) 14.083 4.459 ( -3.827 2.178 -14.548) 15.200 4.459 ( -3.827 2.178 14.548) 15.200 4.797 ( 2.438 0.264 -15.765) 15.955 4.797 ( 2.438 0.264 15.765) 15.955 5.330 ( -3.120 2.258 -8.916) 9.712 5.330 ( -3.120 2.258 8.916) 9.712 5.627 ( 1.511 -8.224 -8.373) 11.833 5.627 ( 1.511 -8.224 8.373) 11.833 6.390 ( -0.299 0.298 -1.016) 1.100 6.390 ( -0.299 0.298 1.016) 1.100 7.138 ( 8.644 -1.002 -5.541) 10.317 7.138 ( 8.644 -1.002 5.541) 10.317 10.115 ( 1.604 -2.430 -8.245) 8.744 10.115 ( 1.604 -2.430 8.245) 8.744 10.938 ( -2.949 0.100 -6.649) 7.274 10.938 ( -2.949 0.100 6.649) 7.274 13.180 ( 0.477 2.508 -6.091) 6.605 13.180 ( 0.477 2.508 6.091) 6.605 14.424 ( -1.599 1.423 -2.171) 3.049 14.424 ( -1.599 1.423 2.171) 3.049 15.831 ( 1.472 -2.349 -2.656) 3.839 15.831 ( 1.472 -2.349 2.656) 3.839 18.015 ( 0.496 2.362 -0.677) 2.507 18.015 ( 0.496 2.362 0.677) 2.507 27.211 ( -0.096 0.268 -1.460) 1.488 27.211 ( -0.096 0.268 1.460) 1.488 28.141 ( 7.429 -8.640 -7.952) 13.895 28.141 ( 7.429 -8.640 7.952) 13.895 30.188 ( 9.137 1.946 -10.573) 14.109 30.188 ( 9.137 1.946 10.573) 14.109 30.984 ( -11.699 -2.446 -13.116) 17.745 30.984 ( -11.699 -2.446 13.116) 17.745 ======================= Grid point 458 (138/155) ======================= q-point: (-0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -2.039 0.890 -4.386) 4.918 1.240 ( -2.039 0.890 4.386) 4.918 1.670 ( 0.146 11.521 -6.624) 13.290 1.670 ( 0.146 11.521 6.624) 13.290 2.912 ( -8.880 0.471 -16.285) 18.555 2.912 ( -8.880 0.471 16.285) 18.555 3.139 ( -5.670 1.804 -7.291) 9.411 3.139 ( -5.670 1.804 7.291) 9.411 3.306 ( -4.084 -0.583 -1.994) 4.582 3.306 ( -4.084 -0.583 1.994) 4.582 4.368 ( -4.051 0.766 -17.533) 18.011 4.368 ( -4.051 0.766 17.533) 18.011 4.862 ( 6.682 3.102 -11.267) 13.462 4.862 ( 6.682 3.102 11.267) 13.462 5.175 ( -8.917 4.917 -13.160) 16.640 5.175 ( -8.917 4.917 13.160) 16.640 5.708 ( -0.026 -4.790 -11.145) 12.131 5.708 ( -0.026 -4.790 11.145) 12.131 6.414 ( 1.356 -1.865 -2.984) 3.771 6.414 ( 1.356 -1.865 2.984) 3.771 7.290 ( 6.022 -2.890 -4.668) 8.149 7.290 ( 6.022 -2.890 4.668) 8.149 10.168 ( 1.371 -2.413 -6.414) 6.988 10.168 ( 1.371 -2.413 6.414) 6.988 10.885 ( -2.480 0.620 -6.095) 6.610 10.885 ( -2.480 0.620 6.095) 6.610 13.158 ( 0.164 2.590 -6.013) 6.549 13.158 ( 0.164 2.590 6.013) 6.549 14.388 ( -0.903 1.206 -2.271) 2.726 14.388 ( -0.903 1.206 2.271) 2.726 15.879 ( 1.164 -1.990 -2.260) 3.228 15.879 ( 1.164 -1.990 2.260) 3.228 18.000 ( 0.403 1.889 -1.991) 2.774 18.000 ( 0.403 1.889 1.991) 2.774 27.208 ( 0.006 0.209 -1.380) 1.396 27.208 ( 0.006 0.209 1.380) 1.396 28.351 ( 5.176 -9.278 -12.485) 16.394 28.351 ( 5.176 -9.278 12.485) 16.394 30.350 ( 11.759 0.907 -9.539) 15.169 30.350 ( 11.759 0.907 9.539) 15.169 30.793 ( -13.167 -1.664 -11.791) 17.753 30.793 ( -13.167 -1.664 11.791) 17.753 ======================= Grid point 460 (139/155) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 0.780 -5.603) 5.657 1.212 ( 0.000 0.780 5.603) 5.657 1.552 ( 0.000 10.233 -9.744) 14.130 1.552 ( 0.000 10.233 9.744) 14.130 2.839 ( -0.000 -0.425 -20.192) 20.197 2.839 ( -0.000 -0.425 20.192) 20.197 3.048 ( 0.000 2.625 -8.094) 8.508 3.048 ( 0.000 2.625 8.094) 8.508 3.305 ( -0.000 -2.557 -4.267) 4.974 3.305 ( -0.000 -2.557 4.267) 4.974 4.325 ( 0.000 0.406 -19.781) 19.786 4.325 ( 0.000 0.406 19.781) 19.786 4.928 ( 0.000 3.631 -6.007) 7.019 4.928 ( 0.000 3.631 6.007) 7.019 4.996 ( 0.000 3.749 -16.779) 17.193 4.996 ( 0.000 3.749 16.779) 17.193 5.744 ( -0.000 -2.622 -9.643) 9.993 5.744 ( -0.000 -2.622 9.643) 9.993 6.449 ( -0.000 -1.765 -2.745) 3.263 6.449 ( -0.000 -1.765 2.745) 3.263 7.377 ( -0.000 -2.883 -3.866) 4.822 7.377 ( -0.000 -2.883 3.866) 4.822 10.204 ( -0.000 -1.817 -4.354) 4.717 10.204 ( -0.000 -1.817 4.354) 4.717 10.854 ( 0.000 0.657 -4.752) 4.797 10.854 ( 0.000 0.657 4.752) 4.797 13.134 ( 0.000 1.979 -5.925) 6.247 13.134 ( 0.000 1.979 5.925) 6.247 14.369 ( 0.000 0.864 -2.151) 2.318 14.369 ( 0.000 0.864 2.151) 2.318 15.907 ( -0.000 -1.241 -1.808) 2.193 15.907 ( -0.000 -1.241 1.808) 2.193 17.988 ( 0.000 1.195 -2.894) 3.131 17.988 ( 0.000 1.195 2.894) 3.131 27.206 ( 0.000 0.132 -1.384) 1.390 27.206 ( 0.000 0.132 1.384) 1.390 28.489 ( -0.000 -7.517 -16.391) 18.032 28.489 ( -0.000 -7.517 16.391) 18.032 30.539 ( 0.000 0.382 -4.327) 4.344 30.539 ( 0.000 0.382 4.327) 4.344 30.600 ( -0.000 -1.085 -15.192) 15.231 30.600 ( -0.000 -1.085 15.192) 15.231 ======================= Grid point 466 (140/155) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 1.311 0.000 -0.201) 1.327 1.361 ( 1.311 0.000 0.201) 1.327 1.601 ( 5.127 0.000 -8.964) 10.327 1.601 ( 5.127 0.000 8.964) 10.327 3.331 ( 1.334 0.000 -2.030) 2.429 3.331 ( 1.334 0.000 2.030) 2.429 3.605 ( 17.599 0.000 -7.185) 19.009 3.605 ( 17.599 0.000 7.185) 19.009 3.778 ( 8.552 0.000 -5.596) 10.220 3.778 ( 8.552 0.000 5.596) 10.220 4.388 ( 1.330 0.000 -15.122) 15.180 4.388 ( 1.330 0.000 15.122) 15.180 5.046 ( 1.284 0.000 -15.640) 15.693 5.046 ( 1.284 0.000 15.640) 15.693 5.314 ( -1.337 -0.000 -2.601) 2.925 5.314 ( -1.337 -0.000 2.601) 2.925 5.774 ( -13.430 -0.000 -10.231) 16.883 5.774 ( -13.430 -0.000 10.231) 16.883 6.339 ( 5.674 0.000 -7.005) 9.015 6.339 ( 5.674 0.000 7.005) 9.015 6.810 ( -4.362 -0.000 -7.234) 8.447 6.810 ( -4.362 -0.000 7.234) 8.447 10.080 ( -2.537 -0.000 -6.960) 7.408 10.080 ( -2.537 -0.000 6.960) 7.408 11.025 ( 0.832 0.000 -1.050) 1.340 11.025 ( 0.832 0.000 1.050) 1.340 13.173 ( 1.762 0.000 -5.774) 6.037 13.173 ( 1.762 0.000 5.774) 6.037 14.458 ( 2.212 0.000 -0.778) 2.344 14.458 ( 2.212 0.000 0.778) 2.344 15.769 ( -2.758 -0.000 -3.035) 4.101 15.769 ( -2.758 -0.000 3.035) 4.101 17.987 ( 1.748 0.000 -2.212) 2.819 17.987 ( 1.748 0.000 2.212) 2.819 27.213 ( 0.353 0.000 -1.751) 1.787 27.213 ( 0.353 0.000 1.751) 1.787 27.994 ( -10.066 -0.000 -6.855) 12.178 27.994 ( -10.066 -0.000 6.855) 12.178 29.956 ( -1.131 -0.000 -11.639) 11.694 29.956 ( -1.131 -0.000 11.639) 11.694 31.291 ( 2.520 0.000 -10.689) 10.982 31.291 ( 2.520 0.000 10.689) 10.982 ======================= Grid point 468 (141/155) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -0.080 0.106 -0.673) 0.686 1.371 ( -0.080 0.106 0.673) 0.686 1.705 ( 5.335 -2.124 -7.542) 9.479 1.705 ( 5.335 -2.124 7.542) 9.479 3.334 ( 0.544 2.157 -5.673) 6.093 3.334 ( 0.544 2.157 5.673) 6.093 3.860 ( -0.074 -1.584 -3.374) 3.728 3.860 ( -0.074 -1.584 3.374) 3.728 3.937 ( 19.289 -1.441 -1.758) 19.422 3.937 ( 19.289 -1.441 1.758) 19.422 4.444 ( 4.310 -0.399 -13.179) 13.871 4.444 ( 4.309 -0.399 13.179) 13.871 4.952 ( -10.129 2.580 -14.553) 17.918 4.952 ( -10.129 2.580 14.553) 17.918 5.242 ( -8.214 2.243 -2.854) 8.980 5.242 ( -8.214 2.243 2.854) 8.980 5.532 ( -10.798 -2.000 -5.733) 12.388 5.532 ( -10.798 -2.000 5.733) 12.388 6.438 ( 4.445 -0.022 -7.579) 8.786 6.438 ( 4.445 -0.022 7.579) 8.786 6.817 ( 4.309 -0.162 -7.024) 8.242 6.817 ( 4.309 -0.162 7.024) 8.242 10.041 ( -1.966 -0.157 -8.805) 9.024 10.041 ( -1.966 -0.157 8.805) 9.024 11.025 ( -0.740 0.000 -3.769) 3.841 11.025 ( -0.740 0.000 3.769) 3.841 13.201 ( 1.760 0.387 -5.575) 5.859 13.201 ( 1.760 0.387 5.575) 5.859 14.492 ( 1.526 -0.112 -0.318) 1.562 14.492 ( 1.526 -0.112 0.318) 1.562 15.731 ( -2.079 -0.692 -3.238) 3.910 15.731 ( -2.079 -0.692 3.238) 3.910 18.023 ( 2.361 0.099 -2.134) 3.184 18.023 ( 2.361 0.099 2.134) 3.184 27.220 ( 0.289 -0.104 -1.655) 1.684 27.220 ( 0.289 -0.104 1.655) 1.684 27.848 ( -6.149 0.513 -5.191) 8.063 27.848 ( -6.149 0.513 5.191) 8.063 29.969 ( 2.662 0.313 -11.538) 11.846 29.969 ( 2.662 0.313 11.538) 11.846 31.289 ( -2.760 -0.395 -10.988) 11.336 31.289 ( -2.760 -0.395 10.988) 11.336 ======================= Grid point 470 (142/155) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -1.054 0.062 -0.572) 1.201 1.359 ( -1.054 0.062 0.572) 1.201 1.814 ( 4.710 -1.785 -5.789) 7.674 1.814 ( 4.710 -1.785 5.789) 7.674 3.307 ( -0.175 3.491 -8.040) 8.767 3.307 ( -0.175 3.491 8.040) 8.767 3.809 ( -7.195 -0.958 -4.219) 8.395 3.809 ( -7.195 -0.958 4.219) 8.395 4.205 ( 4.817 4.670 -3.204) 7.435 4.205 ( 4.817 4.670 3.204) 7.435 4.442 ( -3.696 -0.563 -4.471) 5.828 4.442 ( -3.696 -0.563 4.471) 5.828 4.811 ( 2.704 0.270 -15.833) 16.065 4.811 ( 2.704 0.270 15.833) 16.065 5.039 ( -11.794 -2.279 -9.431) 15.272 5.039 ( -11.794 -2.279 9.431) 15.272 5.461 ( -3.138 -2.666 -5.265) 6.684 5.461 ( -3.138 -2.666 5.265) 6.684 6.483 ( 1.279 0.601 -5.920) 6.086 6.483 ( 1.279 0.601 5.920) 6.086 6.916 ( 6.785 0.862 -6.677) 9.558 6.916 ( 6.785 0.862 6.677) 9.558 10.020 ( -1.033 -0.864 -10.154) 10.243 10.020 ( -1.033 -0.864 10.154) 10.243 11.005 ( -1.596 -0.178 -6.164) 6.369 11.005 ( -1.596 -0.178 6.164) 6.369 13.224 ( 1.767 1.115 -5.568) 5.947 13.224 ( 1.767 1.115 5.568) 5.947 14.507 ( 0.170 0.300 -1.010) 1.067 14.507 ( 0.170 0.300 1.010) 1.067 15.716 ( -1.139 -1.703 -3.203) 3.803 15.716 ( -1.139 -1.703 3.203) 3.803 18.058 ( 2.175 0.842 -1.964) 3.049 18.058 ( 2.175 0.842 1.964) 3.049 27.224 ( -0.003 -0.079 -1.471) 1.473 27.224 ( -0.003 -0.079 1.471) 1.473 27.787 ( -1.137 -1.009 -4.881) 5.112 27.787 ( -1.137 -1.009 4.881) 5.112 30.032 ( 5.450 1.243 -11.014) 12.351 30.032 ( 5.450 1.243 11.014) 12.351 31.212 ( -7.209 -1.431 -11.393) 13.558 31.212 ( -7.209 -1.431 11.393) 13.558 ======================= Grid point 472 (143/155) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -1.686 0.081 -0.555) 1.776 1.335 ( -1.686 0.081 0.555) 1.776 1.895 ( 3.729 0.462 -4.041) 5.518 1.895 ( 3.729 0.462 4.041) 5.518 3.253 ( -1.488 3.813 -8.994) 9.882 3.253 ( -1.488 3.813 8.994) 9.882 3.630 ( -13.669 2.444 -6.972) 15.538 3.630 ( -13.669 2.444 6.972) 15.538 3.885 ( -20.905 6.010 -1.630) 21.812 3.885 ( -20.905 6.010 1.630) 21.812 4.546 ( 6.316 1.807 -4.727) 8.093 4.546 ( 6.316 1.807 4.727) 8.093 4.796 ( -4.724 -0.083 -7.341) 8.730 4.796 ( -4.724 -0.082 7.341) 8.730 5.105 ( 10.956 -8.032 -8.454) 16.001 5.105 ( 10.956 -8.032 8.454) 16.001 5.445 ( -2.492 -2.915 -7.554) 8.472 5.445 ( -2.492 -2.915 7.554) 8.472 6.465 ( -2.137 1.261 -4.990) 5.573 6.465 ( -2.137 1.261 4.990) 5.573 7.018 ( 6.405 1.006 -6.068) 8.880 7.018 ( 6.405 1.006 6.068) 8.880 10.026 ( -0.039 -1.863 -10.777) 10.937 10.026 ( -0.039 -1.863 10.777) 10.937 10.976 ( -1.964 -0.202 -7.880) 8.123 10.976 ( -1.964 -0.202 7.880) 8.124 13.237 ( 1.785 2.001 -5.728) 6.325 13.237 ( 1.785 2.001 5.728) 6.325 14.491 ( -1.114 0.935 -1.815) 2.326 14.491 ( -1.114 0.935 1.815) 2.326 15.728 ( -0.185 -2.763 -3.023) 4.100 15.728 ( -0.185 -2.763 3.023) 4.100 18.075 ( 1.514 1.865 -1.559) 2.864 18.075 ( 1.514 1.865 1.559) 2.864 27.222 ( -0.171 0.111 -1.336) 1.351 27.222 ( -0.171 0.111 1.336) 1.351 27.832 ( 3.128 -3.972 -5.069) 7.159 27.832 ( 3.128 -3.972 5.069) 7.159 30.122 ( 7.205 2.102 -10.367) 12.799 30.122 ( 7.205 2.102 10.367) 12.799 31.083 ( -10.154 -2.482 -11.789) 15.756 31.083 ( -10.154 -2.482 11.789) 15.756 ======================= Grid point 474 (144/155) ======================= q-point: (-0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -2.042 0.407 -1.657) 2.661 1.301 ( -2.042 0.407 1.657) 2.661 1.926 ( 2.643 4.100 -2.106) 5.313 1.926 ( 2.643 4.100 2.106) 5.313 3.157 ( -8.671 2.138 -7.307) 11.539 3.157 ( -8.671 2.138 7.307) 11.539 3.314 ( -12.620 5.338 -6.107) 15.002 3.314 ( -12.620 5.338 6.107) 15.002 3.550 ( -13.887 2.633 -1.895) 14.261 3.550 ( -13.887 2.633 1.895) 14.261 4.497 ( -6.431 1.423 -14.458) 15.888 4.497 ( -6.431 1.423 14.458) 15.888 4.836 ( 8.730 3.153 -9.288) 13.130 4.836 ( 8.730 3.153 9.288) 13.130 5.340 ( 4.355 -2.370 -0.723) 5.010 5.340 ( 4.355 -2.370 0.723) 5.010 5.454 ( 0.590 -6.484 -2.095) 6.839 5.454 ( 0.590 -6.484 2.095) 6.839 6.400 ( -3.359 0.624 -2.908) 4.486 6.400 ( -3.359 0.624 2.908) 4.486 7.119 ( 5.806 -0.698 -5.684) 8.155 7.119 ( 5.806 -0.698 5.684) 8.155 10.057 ( 0.702 -2.812 -10.600) 10.989 10.057 ( 0.702 -2.812 10.600) 10.989 10.942 ( -2.133 0.206 -8.781) 9.039 10.942 ( -2.133 0.206 8.781) 9.039 13.240 ( 1.491 2.912 -5.910) 6.755 13.240 ( 1.491 2.912 5.910) 6.755 14.455 ( -1.540 1.347 -2.465) 3.203 14.455 ( -1.540 1.347 2.465) 3.203 15.766 ( 0.495 -3.563 -2.800) 4.559 15.766 ( 0.495 -3.563 2.800) 4.559 18.071 ( 0.862 2.640 -0.918) 2.925 18.071 ( 0.862 2.640 0.918) 2.925 27.217 ( -0.059 0.267 -1.241) 1.270 27.217 ( -0.059 0.267 1.241) 1.270 27.966 ( 5.082 -7.278 -5.493) 10.439 27.966 ( 5.082 -7.278 5.493) 10.439 30.232 ( 8.454 2.141 -10.178) 13.403 30.232 ( 8.454 2.141 10.178) 13.403 30.926 ( -11.529 -2.829 -12.014) 16.889 30.926 ( -11.529 -2.829 12.014) 16.889 ======================= Grid point 476 (145/155) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -1.667 0.906 -3.262) 3.774 1.260 ( -1.667 0.906 3.262) 3.774 1.894 ( 1.399 8.327 -1.389) 8.557 1.894 ( 1.399 8.327 1.389) 8.557 2.917 ( -12.175 -0.089 -10.608) 16.148 2.917 ( -12.175 -0.089 10.608) 16.148 3.190 ( -1.193 3.398 -6.081) 7.067 3.190 ( -1.193 3.398 6.081) 7.067 3.328 ( -8.203 2.533 -2.958) 9.080 3.328 ( -8.203 2.533 2.958) 9.080 4.386 ( -4.440 0.920 -17.879) 18.445 4.386 ( -4.440 0.920 17.879) 18.445 4.954 ( 9.902 5.295 -10.932) 15.671 4.954 ( 9.902 5.295 10.932) 15.671 5.278 ( -6.632 4.265 -13.197) 15.373 5.278 ( -6.632 4.265 13.197) 15.373 5.578 ( 1.736 -7.083 -11.032) 13.224 5.578 ( 1.736 -7.083 11.032) 13.224 6.370 ( -0.746 -2.025 -3.387) 4.016 6.370 ( -0.746 -2.025 3.387) 4.016 7.226 ( 4.098 -2.910 -5.879) 7.735 7.226 ( 4.098 -2.910 5.879) 7.735 10.105 ( 0.826 -3.367 -9.620) 10.226 10.105 ( 0.826 -3.367 9.620) 10.226 10.902 ( -1.733 0.854 -8.790) 9.000 10.902 ( -1.733 0.854 8.790) 9.000 13.225 ( 0.764 3.523 -5.956) 6.962 13.225 ( 0.764 3.523 5.956) 6.962 14.417 ( -0.988 1.423 -2.745) 3.246 14.417 ( -0.988 1.423 2.745) 3.246 15.816 ( 0.613 -3.782 -2.593) 4.627 15.816 ( 0.613 -3.782 2.593) 4.627 18.052 ( 0.414 2.811 -0.828) 2.960 18.052 ( 0.414 2.811 0.828) 2.960 27.214 ( 0.029 0.324 -1.198) 1.241 27.214 ( 0.029 0.324 1.198) 1.241 28.139 ( 3.958 -9.800 -7.263) 12.824 28.139 ( 3.958 -9.800 7.263) 12.824 30.371 ( 10.127 1.061 -10.746) 14.804 30.371 ( 10.127 1.061 10.746) 14.804 30.752 ( -12.010 -2.098 -11.974) 17.089 30.752 ( -12.010 -2.098 11.974) 17.089 ======================= Grid point 478 (146/155) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 1.113 -4.497) 4.633 1.233 ( 0.000 1.113 4.497) 4.633 1.799 ( 0.000 11.346 -4.067) 12.053 1.799 ( 0.000 11.346 4.067) 12.053 2.821 ( -0.000 -1.275 -15.569) 15.621 2.821 ( -0.000 -1.275 15.569) 15.621 3.128 ( 0.000 4.717 -8.373) 9.610 3.128 ( 0.000 4.717 8.373) 9.610 3.257 ( -0.000 -1.141 -5.719) 5.832 3.257 ( -0.000 -1.141 5.719) 5.832 4.338 ( 0.000 0.769 -19.625) 19.640 4.338 ( 0.000 0.769 19.625) 19.640 5.032 ( 0.000 5.789 -6.412) 8.638 5.032 ( 0.000 5.789 6.412) 8.638 5.102 ( 0.000 5.812 -22.956) 23.680 5.102 ( 0.000 5.812 22.956) 23.680 5.656 ( -0.000 -5.572 -12.161) 13.376 5.656 ( -0.000 -5.572 12.161) 13.376 6.397 ( -0.000 -2.920 -4.534) 5.393 6.397 ( -0.000 -2.920 4.534) 5.393 7.302 ( -0.000 -3.857 -5.726) 6.904 7.302 ( -0.000 -3.857 5.726) 6.904 10.149 ( -0.000 -3.239 -8.098) 8.722 10.149 ( -0.000 -3.239 8.098) 8.722 10.874 ( 0.000 1.108 -7.828) 7.906 10.874 ( 0.000 1.108 7.828) 7.906 13.193 ( 0.000 3.443 -5.921) 6.849 13.193 ( 0.000 3.443 5.921) 6.849 14.394 ( 0.000 1.344 -2.614) 2.940 14.394 ( 0.000 1.344 2.614) 2.940 15.860 ( -0.000 -3.213 -2.411) 4.017 15.860 ( -0.000 -3.213 2.411) 4.017 18.027 ( 0.000 2.454 -1.545) 2.899 18.027 ( 0.000 2.454 1.545) 2.899 27.211 ( 0.000 0.295 -1.247) 1.281 27.211 ( 0.000 0.295 1.247) 1.281 28.287 ( -0.000 -10.601 -10.317) 14.792 28.287 ( -0.000 -10.601 10.317) 14.792 30.550 ( 0.000 0.627 -4.245) 4.292 30.550 ( 0.000 0.627 4.245) 4.292 30.569 ( -0.000 -1.784 -20.379) 20.457 30.569 ( -0.000 -1.784 20.379) 20.457 ======================= Grid point 488 (147/155) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.087 -0.000 -0.785) 1.341 1.361 ( -1.087 -0.000 0.785) 1.341 1.790 ( 5.673 0.000 -7.551) 9.445 1.790 ( 5.673 0.000 7.551) 9.445 3.350 ( -0.026 -0.000 -7.929) 7.929 3.350 ( -0.026 -0.000 7.929) 7.929 3.793 ( -6.446 -0.000 -1.551) 6.630 3.793 ( -6.446 -0.000 1.551) 6.630 4.257 ( 15.884 0.000 -4.277) 16.449 4.257 ( 15.884 0.000 4.277) 16.449 4.434 ( -8.896 -0.000 -7.561) 11.675 4.434 ( -8.896 -0.000 7.561) 11.675 4.824 ( -1.295 -0.000 -14.624) 14.681 4.824 ( -1.295 -0.000 14.624) 14.681 5.007 ( -15.461 -0.000 -15.059) 21.583 5.007 ( -15.461 -0.000 15.059) 21.583 5.433 ( -2.023 -0.000 -5.126) 5.511 5.433 ( -2.023 -0.000 5.126) 5.511 6.489 ( 1.422 0.000 -5.652) 5.828 6.489 ( 1.422 0.000 5.652) 5.828 6.926 ( 7.164 0.000 -6.607) 9.745 6.926 ( 7.164 0.000 6.607) 9.745 10.010 ( -1.420 -0.000 -10.355) 10.452 10.010 ( -1.420 -0.000 10.355) 10.452 11.003 ( -1.650 -0.000 -6.364) 6.575 11.003 ( -1.650 -0.000 6.364) 6.575 13.236 ( 2.055 0.000 -5.447) 5.821 13.236 ( 2.055 0.000 5.447) 5.821 14.510 ( 0.462 0.000 -0.843) 0.961 14.510 ( 0.462 0.000 0.843) 0.961 15.696 ( -1.492 -0.000 -3.212) 3.542 15.696 ( -1.492 -0.000 3.212) 3.542 18.067 ( 2.573 0.000 -2.181) 3.373 18.067 ( 2.573 0.000 2.181) 3.373 27.222 ( 0.069 0.000 -1.271) 1.273 27.222 ( 0.069 0.000 1.271) 1.273 27.777 ( -2.271 -0.000 -5.022) 5.511 27.777 ( -2.271 -0.000 5.022) 5.511 30.046 ( 5.846 0.000 -11.475) 12.878 30.046 ( 5.846 0.000 11.475) 12.878 31.195 ( -7.663 -0.000 -10.212) 12.767 31.195 ( -7.663 -0.000 10.212) 12.767 ======================= Grid point 490 (148/155) ======================= q-point: (-0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -1.591 0.058 -0.456) 1.656 1.337 ( -1.591 0.058 0.456) 1.656 1.887 ( 5.035 -0.550 -6.780) 8.463 1.887 ( 5.035 -0.550 6.780) 8.463 3.327 ( -1.654 2.266 -8.946) 9.375 3.327 ( -1.654 2.266 8.946) 9.375 3.645 ( -11.171 -0.256 -1.152) 11.233 3.645 ( -11.171 -0.256 1.152) 11.233 4.001 ( -25.764 3.632 -0.861) 26.033 4.001 ( -25.764 3.632 0.861) 26.033 4.583 ( 11.178 1.592 -5.239) 12.447 4.583 ( 11.178 1.592 5.239) 12.447 4.780 ( -5.633 -1.599 -3.422) 6.782 4.780 ( -5.633 -1.599 3.422) 6.782 4.976 ( 10.753 -3.085 -0.818) 11.217 4.976 ( 10.753 -3.085 0.818) 11.217 5.407 ( -1.781 -0.777 -6.543) 6.825 5.407 ( -1.781 -0.776 6.543) 6.825 6.482 ( -2.062 0.365 -4.390) 4.864 6.482 ( -2.062 0.365 4.390) 4.864 7.033 ( 5.478 0.386 -5.582) 7.831 7.033 ( 5.478 0.386 5.582) 7.831 9.996 ( -0.717 -0.786 -11.589) 11.638 9.996 ( -0.717 -0.786 11.589) 11.638 10.974 ( -1.732 -0.063 -8.655) 8.827 10.974 ( -1.732 -0.063 8.655) 8.827 13.270 ( 2.331 0.858 -5.567) 6.096 13.270 ( 2.331 0.858 5.567) 6.096 14.505 ( -0.799 0.341 -1.769) 1.971 14.505 ( -0.799 0.341 1.770) 1.971 15.682 ( -0.805 -1.251 -3.028) 3.374 15.682 ( -0.805 -1.251 3.028) 3.374 18.104 ( 2.044 0.725 -2.040) 2.977 18.104 ( 2.044 0.725 2.040) 2.977 27.222 ( -0.063 -0.006 -0.937) 0.939 27.222 ( -0.063 -0.006 0.937) 0.939 27.776 ( 1.334 -1.296 -5.382) 5.694 27.776 ( 1.334 -1.296 5.382) 5.694 30.157 ( 7.426 0.920 -10.817) 13.153 30.157 ( 7.426 0.920 10.817) 13.153 31.042 ( -10.571 -1.097 -9.764) 14.432 31.042 ( -10.571 -1.097 9.764) 14.432 ======================= Grid point 492 (149/155) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -1.687 0.210 -0.821) 1.888 1.307 ( -1.687 0.210 0.821) 1.888 1.965 ( 3.841 0.302 -5.551) 6.757 1.965 ( 3.841 0.302 5.551) 6.757 3.204 ( -12.915 1.821 -4.988) 13.964 3.204 ( -12.915 1.821 4.988) 13.964 3.420 ( -10.259 3.819 -5.032) 12.048 3.420 ( -10.259 3.819 5.032) 12.048 3.602 ( -14.856 2.296 -1.100) 15.073 3.602 ( -14.856 2.296 1.100) 15.073 4.528 ( -7.220 1.527 -8.671) 11.386 4.528 ( -7.220 1.527 8.671) 11.386 4.903 ( 12.601 2.420 -2.598) 13.092 4.903 ( 12.601 2.420 2.598) 13.092 5.226 ( 10.666 -5.760 -6.963) 13.980 5.226 ( 10.666 -5.760 6.963) 13.980 5.389 ( -1.472 -1.156 -8.495) 8.699 5.389 ( -1.472 -1.156 8.495) 8.699 6.413 ( -5.006 0.524 -3.419) 6.085 6.413 ( -5.006 0.524 3.419) 6.085 7.108 ( 3.644 -0.345 -5.015) 6.209 7.108 ( 3.644 -0.345 5.015) 6.209 10.004 ( -0.079 -1.960 -12.158) 12.315 10.004 ( -0.079 -1.960 12.158) 12.315 10.946 ( -1.461 0.180 -10.166) 10.272 10.946 ( -1.461 0.180 10.166) 10.272 13.294 ( 2.196 1.982 -5.839) 6.546 13.294 ( 2.196 1.982 5.839) 6.546 14.478 ( -1.470 0.807 -2.652) 3.138 14.478 ( -1.470 0.807 2.652) 3.138 15.695 ( -0.199 -2.682 -2.801) 3.884 15.695 ( -0.199 -2.682 2.801) 3.884 18.119 ( 1.232 1.702 -1.730) 2.722 18.119 ( 1.232 1.702 1.730) 2.722 27.221 ( 0.007 0.097 -0.858) 0.864 27.221 ( 0.007 0.097 0.858) 0.864 27.845 ( 3.296 -3.885 -5.603) 7.573 27.845 ( 3.296 -3.885 5.603) 7.573 30.273 ( 7.740 1.529 -9.692) 12.497 30.273 ( 7.740 1.529 9.692) 12.497 30.872 ( -11.155 -2.018 -9.370) 14.707 30.872 ( -11.155 -2.018 9.370) 14.707 ======================= Grid point 494 (150/155) ======================= q-point: (-0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -1.278 0.603 -2.003) 2.452 1.277 ( -1.278 0.603 2.003) 2.452 2.005 ( 2.257 2.355 -3.854) 5.049 2.005 ( 2.257 2.355 3.854) 5.049 2.910 ( -15.214 -0.489 -6.348) 16.492 2.910 ( -15.214 -0.489 6.348) 16.492 3.289 ( -1.062 5.420 -6.811) 8.769 3.289 ( -1.062 5.420 6.811) 8.769 3.393 ( -7.714 3.092 -2.399) 8.650 3.393 ( -7.714 3.092 2.399) 8.650 4.411 ( -4.284 1.429 -13.232) 13.981 4.411 ( -4.284 1.429 13.232) 13.981 5.068 ( 11.185 4.844 -5.942) 13.560 5.068 ( 11.185 4.844 5.942) 13.560 5.334 ( -3.259 0.312 -8.944) 9.524 5.334 ( -3.259 0.312 8.944) 9.524 5.438 ( 3.887 -4.791 -10.797) 12.435 5.438 ( 3.887 -4.791 10.797) 12.435 6.335 ( -3.521 -1.245 -2.914) 4.737 6.335 ( -3.521 -1.245 2.914) 4.737 7.171 ( 2.273 -2.107 -5.571) 6.375 7.171 ( 2.273 -2.107 5.571) 6.375 10.033 ( 0.260 -3.092 -11.925) 12.322 10.033 ( 0.260 -3.092 11.925) 12.322 10.919 ( -1.034 0.762 -10.734) 10.811 10.919 ( -1.034 0.762 10.734) 10.811 13.298 ( 1.296 3.092 -6.028) 6.897 13.298 ( 1.296 3.092 6.028) 6.897 14.445 ( -1.075 1.102 -3.208) 3.559 14.445 ( -1.075 1.102 3.208) 3.559 15.730 ( 0.127 -3.857 -2.641) 4.676 15.730 ( 0.127 -3.857 2.641) 4.676 18.111 ( 0.527 2.505 -1.336) 2.887 18.111 ( 0.527 2.505 1.336) 2.887 27.220 ( 0.063 0.229 -0.895) 0.926 27.220 ( 0.063 0.229 0.895) 0.926 27.958 ( 2.828 -6.829 -5.612) 9.281 27.958 ( 2.828 -6.829 5.612) 9.281 30.393 ( 8.125 0.881 -9.643) 12.640 30.393 ( 8.125 0.881 9.643) 12.640 30.709 ( -10.342 -1.764 -8.834) 13.716 30.709 ( -10.342 -1.764 8.834) 13.716 ======================= Grid point 496 (151/155) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 0.950 -3.088) 3.231 1.256 ( 0.000 0.950 3.088) 3.231 1.984 ( 0.000 5.479 -1.781) 5.761 1.984 ( 0.000 5.479 1.781) 5.761 2.788 ( -0.000 -1.701 -9.951) 10.095 2.788 ( -0.000 -1.701 9.951) 10.095 3.236 ( 0.000 5.058 -7.092) 8.711 3.236 ( 0.000 5.058 7.092) 8.711 3.279 ( 0.000 3.215 -9.654) 10.175 3.279 ( 0.000 3.215 9.654) 10.175 4.359 ( 0.000 1.268 -16.416) 16.465 4.359 ( 0.000 1.268 16.416) 16.465 5.158 ( 0.000 5.620 -7.348) 9.250 5.158 ( 0.000 5.620 7.348) 9.250 5.223 ( 0.000 4.761 -20.925) 21.460 5.223 ( 0.000 4.761 20.925) 21.460 5.524 ( -0.000 -5.992 -10.871) 12.413 5.524 ( -0.000 -5.992 10.871) 12.413 6.332 ( -0.000 -2.990 -4.652) 5.530 6.332 ( -0.000 -2.990 4.652) 5.530 7.223 ( -0.000 -3.369 -6.270) 7.118 7.223 ( -0.000 -3.369 6.270) 7.118 10.073 ( -0.000 -3.663 -10.975) 11.570 10.073 ( -0.000 -3.663 10.975) 11.570 10.899 ( 0.000 1.167 -10.276) 10.342 10.899 ( 0.000 1.167 10.276) 10.342 13.272 ( 0.000 3.725 -5.998) 7.060 13.272 ( 0.000 3.725 5.998) 7.060 14.423 ( 0.000 1.276 -3.196) 3.441 14.423 ( 0.000 1.276 3.196) 3.441 15.776 ( -0.000 -4.324 -2.582) 5.036 15.776 ( -0.000 -4.324 2.582) 5.036 18.086 ( 0.000 2.876 -1.040) 3.058 18.086 ( 0.000 2.876 1.040) 3.058 27.218 ( 0.000 0.320 -1.000) 1.050 27.218 ( 0.000 0.320 1.000) 1.050 28.071 ( -0.000 -9.080 -6.124) 10.952 28.071 ( -0.000 -9.080 6.124) 10.952 30.529 ( -0.000 -1.800 -17.508) 17.600 30.529 ( -0.000 -1.800 17.508) 17.600 30.564 ( 0.000 0.639 -4.141) 4.190 30.564 ( 0.000 0.639 4.141) 4.190 ======================= Grid point 510 (152/155) ======================= q-point: ( 0.40 -0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -1.579 -0.000 -0.024) 1.579 1.309 ( -1.579 -0.000 0.024) 1.579 1.965 ( 4.205 0.000 -6.962) 8.134 1.965 ( 4.205 0.000 6.962) 8.134 3.224 ( -15.603 -0.000 -5.348) 16.494 3.224 ( -15.603 -0.000 5.348) 16.494 3.460 ( -7.080 -0.000 -7.959) 10.653 3.460 ( -7.080 -0.000 7.959) 10.653 3.632 ( -16.477 -0.000 -0.198) 16.479 3.632 ( -16.477 -0.000 0.198) 16.479 4.549 ( -7.745 -0.000 -4.825) 9.125 4.549 ( -7.745 -0.000 4.825) 9.125 4.926 ( 14.521 0.000 -3.763) 15.001 4.926 ( 14.521 0.000 3.763) 15.001 5.160 ( 11.578 0.000 -0.563) 11.591 5.160 ( 11.578 0.000 0.563) 11.591 5.377 ( -1.096 -0.000 -5.101) 5.217 5.377 ( -1.096 -0.000 5.101) 5.217 6.419 ( -5.424 -0.000 -3.260) 6.328 6.419 ( -5.424 -0.000 3.260) 6.328 7.104 ( 2.838 0.000 -4.526) 5.342 7.104 ( 2.838 0.000 4.526) 5.342 9.982 ( -0.393 -0.000 -12.736) 12.742 9.982 ( -0.393 -0.000 12.736) 12.742 10.948 ( -1.203 -0.000 -10.643) 10.710 10.948 ( -1.203 -0.000 10.643) 10.710 13.316 ( 2.441 0.000 -5.848) 6.337 13.316 ( 2.441 0.000 5.848) 6.337 14.487 ( -1.441 -0.000 -2.710) 3.069 14.487 ( -1.441 -0.000 2.710) 3.069 15.665 ( -0.438 -0.000 -2.770) 2.804 15.665 ( -0.438 -0.000 2.770) 2.804 18.138 ( 1.387 0.000 -1.956) 2.398 18.138 ( 1.387 0.000 1.956) 2.398 27.222 ( 0.039 0.000 -0.550) 0.551 27.222 ( 0.039 0.000 0.550) 0.551 27.804 ( 2.629 0.000 -5.882) 6.443 27.804 ( 2.629 0.000 5.882) 6.443 30.290 ( 7.430 0.000 -9.613) 12.149 30.290 ( 7.430 0.000 9.613) 12.149 30.849 ( -10.958 -0.000 -7.971) 13.550 30.849 ( -10.958 -0.000 7.971) 13.550 ======================= Grid point 514 (153/155) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -1.047 0.206 -0.744) 1.301 1.285 ( -1.047 0.206 0.744) 1.301 2.023 ( 2.474 0.030 -6.488) 6.943 2.023 ( 2.474 0.030 6.488) 6.943 2.900 ( -16.925 -0.313 -6.160) 18.014 2.900 ( -16.925 -0.313 6.160) 18.014 3.387 ( -2.174 2.872 -5.708) 6.750 3.387 ( -2.174 2.872 5.708) 6.750 3.441 ( -6.011 1.173 -4.574) 7.644 3.441 ( -6.011 1.173 4.574) 7.644 4.440 ( -4.179 0.986 -6.172) 7.519 4.440 ( -4.179 0.986 6.172) 7.519 5.133 ( 10.148 0.977 -1.472) 10.300 5.133 ( 10.148 0.977 1.472) 10.300 5.304 ( 1.363 -1.101 -0.854) 1.949 5.304 ( 1.363 -1.101 0.854) 1.949 5.398 ( 4.610 -0.388 -6.761) 8.192 5.398 ( 4.610 -0.388 6.761) 8.192 6.318 ( -5.545 -0.352 -2.323) 6.023 6.318 ( -5.545 -0.352 2.323) 6.023 7.140 ( 1.164 -0.765 -4.300) 4.520 7.140 ( 1.164 -0.765 4.300) 4.520 9.984 ( -0.103 -1.280 -13.222) 13.284 9.984 ( -0.103 -1.280 13.222) 13.284 10.931 ( -0.623 0.308 -11.725) 11.746 10.931 ( -0.623 0.308 11.725) 11.746 13.346 ( 1.601 1.234 -6.201) 6.522 13.346 ( 1.601 1.234 6.201) 6.522 14.462 ( -1.140 0.411 -3.491) 3.695 14.462 ( -1.140 0.411 3.491) 3.695 15.668 ( -0.133 -1.623 -2.572) 3.044 15.668 ( -0.133 -1.623 2.572) 3.044 18.150 ( 0.637 0.989 -1.783) 2.136 18.150 ( 0.637 0.989 1.783) 2.136 27.223 ( 0.089 0.050 -0.495) 0.505 27.223 ( 0.089 0.050 0.495) 0.505 27.859 ( 2.157 -2.366 -6.041) 6.837 27.859 ( 2.157 -2.366 6.041) 6.837 30.406 ( 6.542 0.357 -7.586) 10.023 30.406 ( 6.542 0.357 7.586) 10.023 30.682 ( -8.917 -0.701 -5.922) 10.727 30.682 ( -8.917 -0.701 5.922) 10.727 ======================= Grid point 516 (154/155) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.000 0.516 -1.614) 1.695 1.272 ( 0.000 0.516 1.614) 1.695 2.042 ( 0.000 0.712 -5.428) 5.475 2.042 ( 0.000 0.712 5.428) 5.475 2.755 ( -0.000 -1.204 -7.601) 7.696 2.755 ( -0.000 -1.204 7.601) 7.696 3.328 ( 0.000 3.263 -5.142) 6.090 3.328 ( 0.000 3.263 5.142) 6.090 3.368 ( 0.000 4.134 -12.570) 13.232 3.368 ( 0.000 4.134 12.570) 13.232 4.390 ( 0.000 1.519 -9.860) 9.976 4.390 ( 0.000 1.519 9.860) 9.976 5.257 ( 0.000 3.351 -9.231) 9.820 5.257 ( 0.000 3.351 9.231) 9.820 5.262 ( -0.000 -1.384 -15.048) 15.111 5.262 ( -0.000 -1.384 15.048) 15.111 5.451 ( -0.000 -0.341 -10.243) 10.249 5.451 ( -0.000 -0.341 10.243) 10.249 6.279 ( -0.000 -1.869 -3.114) 3.632 6.279 ( -0.000 -1.869 3.114) 3.632 7.165 ( -0.000 -1.961 -5.055) 5.422 7.165 ( -0.000 -1.961 5.055) 5.422 10.004 ( -0.000 -2.513 -12.907) 13.149 10.004 ( -0.000 -2.513 12.907) 13.149 10.920 ( 0.000 0.753 -11.769) 11.793 10.920 ( 0.000 0.753 11.769) 11.793 13.340 ( 0.000 2.438 -6.260) 6.718 13.340 ( 0.000 2.438 6.260) 6.718 14.445 ( 0.000 0.753 -3.681) 3.757 14.445 ( 0.000 0.753 3.681) 3.757 15.693 ( -0.000 -3.087 -2.534) 3.994 15.693 ( -0.000 -3.087 2.534) 3.994 18.139 ( 0.000 1.904 -1.583) 2.476 18.139 ( 0.000 1.904 1.583) 2.476 27.223 ( 0.000 0.140 -0.643) 0.658 27.223 ( 0.000 0.140 0.643) 0.658 27.918 ( -0.000 -4.955 -5.858) 7.672 27.918 ( -0.000 -4.955 5.858) 7.672 30.497 ( -0.000 -1.116 -10.738) 10.796 30.497 ( -0.000 -1.116 10.738) 10.796 30.576 ( 0.000 0.401 -4.055) 4.074 30.576 ( 0.000 0.401 4.055) 4.074 ======================= Grid point 536 (155/155) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.000 -0.000 -0.471) 0.471 1.277 ( -0.000 -0.000 0.471) 0.471 2.045 ( -0.000 -0.000 -6.786) 6.786 2.045 ( -0.000 -0.000 6.786) 6.786 2.741 ( -0.000 -0.000 -7.535) 7.535 2.741 ( -0.000 -0.000 7.535) 7.535 3.364 ( -0.000 -0.000 -3.873) 3.873 3.364 ( -0.000 -0.000 3.873) 3.873 3.417 ( -0.000 -0.000 -14.002) 14.002 3.417 ( -0.000 -0.000 14.002) 14.002 4.410 ( -0.000 -0.000 -4.283) 4.283 4.410 ( -0.000 -0.000 4.283) 4.283 5.232 ( -0.000 -0.000 -9.632) 9.632 5.232 ( -0.000 -0.000 9.632) 9.632 5.293 ( -0.000 -0.000 -10.351) 10.351 5.293 ( -0.000 -0.000 10.351) 10.351 5.458 ( -0.000 -0.000 -4.936) 4.936 5.458 ( -0.000 -0.000 4.936) 4.936 6.258 ( -0.000 -0.000 -1.603) 1.603 6.258 ( -0.000 -0.000 1.603) 1.603 7.144 ( -0.000 -0.000 -3.885) 3.885 7.144 ( -0.000 -0.000 3.885) 3.885 9.976 ( -0.000 -0.000 -13.624) 13.624 9.976 ( -0.000 -0.000 13.624) 13.624 10.928 ( -0.000 -0.000 -12.263) 12.263 10.928 ( -0.000 -0.000 12.263) 12.263 13.367 ( -0.000 -0.000 -6.421) 6.421 13.367 ( -0.000 -0.000 6.421) 6.421 14.453 ( -0.000 -0.000 -3.870) 3.870 14.453 ( -0.000 -0.000 3.870) 3.870 15.658 ( -0.000 -0.000 -2.473) 2.473 15.658 ( -0.000 -0.000 2.473) 2.473 18.161 ( -0.000 -0.000 -1.784) 1.784 18.161 ( -0.000 -0.000 1.784) 1.784 27.224 ( -0.000 -0.000 -0.345) 0.345 27.224 ( -0.000 -0.000 0.345) 0.345 27.865 ( -0.000 -0.000 -6.205) 6.205 27.865 ( -0.000 -0.000 6.205) 6.205 30.485 ( -0.000 -0.000 -5.710) 5.710 30.485 ( -0.000 -0.000 5.710) 5.710 30.580 ( -0.000 -0.000 -4.021) 4.021 30.580 ( -0.000 -0.000 4.021) 4.021 =================== 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 3/33600 10.0 198.884 226.739 191.442 0.000 0.000 0.000 3/33600 20.0 49.314 56.837 147.614 0.000 0.000 0.000 3/33600 30.0 21.532 24.226 89.938 0.000 0.000 0.000 3/33600 40.0 12.320 12.757 57.818 0.000 0.000 0.000 3/33600 50.0 8.396 7.937 41.054 0.000 0.000 0.000 3/33600 60.0 6.393 5.579 31.445 0.000 0.000 0.000 3/33600 70.0 5.208 4.266 25.418 0.000 0.000 0.000 3/33600 80.0 4.425 3.455 21.356 0.000 0.000 0.000 3/33600 90.0 3.864 2.911 18.459 0.000 0.000 0.000 3/33600 100.0 3.438 2.522 16.298 0.000 0.000 0.000 3/33600 110.0 3.102 2.230 14.626 0.000 0.000 0.000 3/33600 120.0 2.828 2.003 13.294 0.000 0.000 0.000 3/33600 130.0 2.601 1.820 12.206 0.000 0.000 0.000 3/33600 140.0 2.409 1.671 11.300 0.000 0.000 0.000 3/33600 150.0 2.244 1.545 10.532 0.000 0.000 0.000 3/33600 160.0 2.102 1.438 9.872 0.000 0.000 0.000 3/33600 170.0 1.977 1.347 9.297 0.000 0.000 0.000 3/33600 180.0 1.866 1.267 8.792 0.000 0.000 0.000 3/33600 190.0 1.768 1.196 8.345 0.000 0.000 0.000 3/33600 200.0 1.680 1.134 7.944 0.000 0.000 0.000 3/33600 210.0 1.601 1.078 7.584 0.000 0.000 0.000 3/33600 220.0 1.530 1.028 7.258 0.000 0.000 0.000 3/33600 230.0 1.465 0.983 6.962 0.000 0.000 0.000 3/33600 240.0 1.405 0.942 6.690 0.000 0.000 0.000 3/33600 250.0 1.351 0.904 6.441 0.000 0.000 0.000 3/33600 260.0 1.301 0.870 6.211 0.000 0.000 0.000 3/33600 270.0 1.254 0.838 5.998 0.000 0.000 0.000 3/33600 280.0 1.212 0.809 5.800 0.000 0.000 0.000 3/33600 290.0 1.172 0.781 5.616 0.000 0.000 0.000 3/33600 300.0 1.135 0.756 5.444 0.000 0.000 0.000 3/33600 310.0 1.100 0.733 5.282 0.000 0.000 0.000 3/33600 320.0 1.067 0.710 5.131 0.000 0.000 0.000 3/33600 330.0 1.037 0.690 4.988 0.000 0.000 0.000 3/33600 340.0 1.008 0.670 4.853 0.000 0.000 0.000 3/33600 350.0 0.981 0.652 4.726 0.000 0.000 0.000 3/33600 360.0 0.955 0.635 4.606 0.000 0.000 0.000 3/33600 370.0 0.931 0.618 4.491 0.000 0.000 0.000 3/33600 380.0 0.908 0.603 4.383 0.000 0.000 0.000 3/33600 390.0 0.886 0.588 4.280 0.000 0.000 0.000 3/33600 400.0 0.865 0.574 4.181 0.000 0.000 0.000 3/33600 410.0 0.846 0.561 4.087 0.000 0.000 0.000 3/33600 420.0 0.827 0.548 3.998 0.000 0.000 0.000 3/33600 430.0 0.809 0.536 3.912 0.000 0.000 0.000 3/33600 440.0 0.792 0.524 3.830 0.000 0.000 0.000 3/33600 450.0 0.775 0.513 3.751 0.000 0.000 0.000 3/33600 460.0 0.759 0.503 3.675 0.000 0.000 0.000 3/33600 470.0 0.744 0.493 3.603 0.000 0.000 0.000 3/33600 480.0 0.729 0.483 3.533 0.000 0.000 0.000 3/33600 490.0 0.715 0.473 3.466 0.000 0.000 0.000 3/33600 500.0 0.702 0.464 3.401 0.000 0.000 0.000 3/33600 510.0 0.689 0.456 3.339 0.000 0.000 0.000 3/33600 520.0 0.677 0.447 3.279 0.000 0.000 0.000 3/33600 530.0 0.665 0.439 3.222 0.000 0.000 0.000 3/33600 540.0 0.653 0.432 3.166 0.000 0.000 0.000 3/33600 550.0 0.642 0.424 3.112 0.000 0.000 0.000 3/33600 560.0 0.631 0.417 3.060 0.000 0.000 0.000 3/33600 570.0 0.620 0.410 3.009 0.000 0.000 0.000 3/33600 580.0 0.610 0.403 2.960 0.000 0.000 0.000 3/33600 590.0 0.600 0.397 2.913 0.000 0.000 0.000 3/33600 600.0 0.591 0.390 2.867 0.000 0.000 0.000 3/33600 610.0 0.582 0.384 2.823 0.000 0.000 0.000 3/33600 620.0 0.573 0.378 2.780 0.000 0.000 0.000 3/33600 630.0 0.564 0.373 2.738 0.000 0.000 0.000 3/33600 640.0 0.556 0.367 2.698 0.000 0.000 0.000 3/33600 650.0 0.548 0.362 2.658 0.000 0.000 0.000 3/33600 660.0 0.540 0.356 2.620 0.000 0.000 0.000 3/33600 670.0 0.532 0.351 2.583 0.000 0.000 0.000 3/33600 680.0 0.525 0.346 2.547 0.000 0.000 0.000 3/33600 690.0 0.517 0.341 2.512 0.000 0.000 0.000 3/33600 700.0 0.510 0.337 2.477 0.000 0.000 0.000 3/33600 710.0 0.503 0.332 2.444 0.000 0.000 0.000 3/33600 720.0 0.497 0.328 2.412 0.000 0.000 0.000 3/33600 730.0 0.490 0.323 2.380 0.000 0.000 0.000 3/33600 740.0 0.484 0.319 2.349 0.000 0.000 0.000 3/33600 750.0 0.478 0.315 2.319 0.000 0.000 0.000 3/33600 760.0 0.472 0.311 2.290 0.000 0.000 0.000 3/33600 770.0 0.466 0.307 2.262 0.000 0.000 0.000 3/33600 780.0 0.460 0.303 2.234 0.000 0.000 0.000 3/33600 790.0 0.454 0.300 2.207 0.000 0.000 0.000 3/33600 800.0 0.449 0.296 2.180 0.000 0.000 0.000 3/33600 810.0 0.444 0.292 2.154 0.000 0.000 0.000 3/33600 820.0 0.438 0.289 2.129 0.000 0.000 0.000 3/33600 830.0 0.433 0.286 2.104 0.000 0.000 0.000 3/33600 840.0 0.428 0.282 2.080 0.000 0.000 0.000 3/33600 850.0 0.423 0.279 2.056 0.000 0.000 0.000 3/33600 860.0 0.419 0.276 2.033 0.000 0.000 0.000 3/33600 870.0 0.414 0.273 2.011 0.000 0.000 0.000 3/33600 880.0 0.409 0.270 1.989 0.000 0.000 0.000 3/33600 890.0 0.405 0.267 1.967 0.000 0.000 0.000 3/33600 900.0 0.401 0.264 1.946 0.000 0.000 0.000 3/33600 910.0 0.396 0.261 1.925 0.000 0.000 0.000 3/33600 920.0 0.392 0.258 1.905 0.000 0.000 0.000 3/33600 930.0 0.388 0.256 1.885 0.000 0.000 0.000 3/33600 940.0 0.384 0.253 1.866 0.000 0.000 0.000 3/33600 950.0 0.380 0.250 1.847 0.000 0.000 0.000 3/33600 960.0 0.376 0.248 1.828 0.000 0.000 0.000 3/33600 970.0 0.373 0.245 1.810 0.000 0.000 0.000 3/33600 980.0 0.369 0.243 1.792 0.000 0.000 0.000 3/33600 990.0 0.365 0.241 1.774 0.000 0.000 0.000 3/33600 1000.0 0.362 0.238 1.757 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:45:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|