----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:33:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.780550858880649 -3.827030070000001 0.000000000000000 b 5.780550858880649 3.827030070000001 0.000000000000000 c -1.828983313059682 0.000000000000000 4.354916230188846 Atomic positions (fractional): *1 P 0.40600548907762 0.40600548907762 0.01362002988110 30.974 2 P 0.59399451092238 0.59399451092238 0.98637997011890 30.974 *3 P 0.35169676204344 0.81855131162965 0.71141288012282 30.974 4 P 0.18144868837035 0.64830323795656 0.28858711987718 30.974 5 P 0.64830323795656 0.18144868837035 0.28858711987718 30.974 6 P 0.81855131162965 0.35169676204344 0.71141288012282 30.974 *7 Ba 0.17244694629130 0.17244694629130 0.31540726451687 137.327 8 Ba 0.82755305370871 0.82755305370871 0.68459273548313 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.561101717761298 0.000000000000000 0.000000000000000 b 0.000000000000000 7.654060140000002 0.000000000000000 c -1.828983313059682 0.000000000000000 4.354916230188846 Atomic positions (fractional): *1 P 0.40600548907762 0.00000000000000 0.01362002988110 30.974 > 1 2 P 0.59399451092238 0.00000000000000 0.98637997011890 30.974 > 2 *3 P 0.58512403683654 0.23342727479310 0.71141288012282 30.974 > 3 4 P 0.41487596316346 0.23342727479310 0.28858711987718 30.974 > 4 5 P 0.41487596316346 0.76657272520690 0.28858711987718 30.974 > 5 6 P 0.58512403683654 0.76657272520690 0.71141288012282 30.974 > 6 7 P 0.90600548907762 0.50000000000000 0.01362002988110 30.974 > 1 8 P 0.09399451092238 0.50000000000000 0.98637997011890 30.974 > 2 9 P 0.08512403683654 0.73342727479310 0.71141288012282 30.974 > 3 10 P 0.91487596316346 0.73342727479310 0.28858711987718 30.974 > 4 11 P 0.91487596316346 0.26657272520690 0.28858711987718 30.974 > 5 12 P 0.08512403683654 0.26657272520690 0.71141288012282 30.974 > 6 *13 Ba 0.17244694629130 0.00000000000000 0.31540726451687 137.327 > 7 14 Ba 0.82755305370871 0.00000000000000 0.68459273548313 137.327 > 8 15 Ba 0.67244694629129 0.50000000000000 0.31540726451687 137.327 > 7 16 Ba 0.32755305370871 0.50000000000000 0.68459273548313 137.327 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.561101717761298 0.000000000000000 0.000000000000000 b 0.000000000000000 15.308120280000004 0.000000000000000 c -5.486949939179046 0.000000000000000 13.064748690566539 Atomic positions (fractional): *1 P 0.40600548907762 0.00000000000000 0.00454000996037 30.974 > 1 2 P 0.40600548907762 0.50000000000000 0.00454000996037 30.974 > 1 3 P 0.40600548907762 0.00000000000000 0.33787334329370 30.974 > 1 4 P 0.40600548907762 0.50000000000000 0.33787334329370 30.974 > 1 5 P 0.40600548907762 0.00000000000000 0.67120667662703 30.974 > 1 6 P 0.40600548907762 0.50000000000000 0.67120667662703 30.974 > 1 7 P 0.59399451092238 0.00000000000000 0.32879332337297 30.974 > 2 8 P 0.59399451092238 0.50000000000000 0.32879332337297 30.974 > 2 9 P 0.59399451092238 0.00000000000000 0.66212665670630 30.974 > 2 10 P 0.59399451092238 0.50000000000000 0.66212665670630 30.974 > 2 11 P 0.59399451092238 0.00000000000000 0.99545999003963 30.974 > 2 12 P 0.59399451092238 0.50000000000000 0.99545999003963 30.974 > 2 *13 P 0.58512403683654 0.11671363739655 0.23713762670761 30.974 > 3 14 P 0.58512403683654 0.61671363739655 0.23713762670761 30.974 > 3 15 P 0.58512403683654 0.11671363739655 0.57047096004094 30.974 > 3 16 P 0.58512403683654 0.61671363739655 0.57047096004094 30.974 > 3 17 P 0.58512403683654 0.11671363739655 0.90380429337427 30.974 > 3 18 P 0.58512403683654 0.61671363739655 0.90380429337427 30.974 > 3 19 P 0.41487596316346 0.11671363739655 0.09619570662573 30.974 > 4 20 P 0.41487596316346 0.61671363739655 0.09619570662573 30.974 > 4 21 P 0.41487596316346 0.11671363739655 0.42952903995906 30.974 > 4 22 P 0.41487596316346 0.61671363739655 0.42952903995906 30.974 > 4 23 P 0.41487596316346 0.11671363739655 0.76286237329239 30.974 > 4 24 P 0.41487596316346 0.61671363739655 0.76286237329239 30.974 > 4 25 P 0.41487596316346 0.38328636260345 0.09619570662573 30.974 > 5 26 P 0.41487596316346 0.88328636260345 0.09619570662573 30.974 > 5 27 P 0.41487596316346 0.38328636260345 0.42952903995906 30.974 > 5 28 P 0.41487596316346 0.88328636260345 0.42952903995906 30.974 > 5 29 P 0.41487596316346 0.38328636260345 0.76286237329239 30.974 > 5 30 P 0.41487596316346 0.88328636260345 0.76286237329239 30.974 > 5 31 P 0.58512403683654 0.38328636260345 0.23713762670761 30.974 > 6 32 P 0.58512403683654 0.88328636260345 0.23713762670761 30.974 > 6 33 P 0.58512403683654 0.38328636260345 0.57047096004094 30.974 > 6 34 P 0.58512403683654 0.88328636260345 0.57047096004094 30.974 > 6 35 P 0.58512403683654 0.38328636260345 0.90380429337427 30.974 > 6 36 P 0.58512403683654 0.88328636260345 0.90380429337427 30.974 > 6 37 P 0.90600548907762 0.25000000000000 0.00454000996037 30.974 > 1 38 P 0.90600548907762 0.75000000000000 0.00454000996037 30.974 > 1 39 P 0.90600548907762 0.25000000000000 0.33787334329370 30.974 > 1 40 P 0.90600548907762 0.75000000000000 0.33787334329370 30.974 > 1 41 P 0.90600548907762 0.25000000000000 0.67120667662703 30.974 > 1 42 P 0.90600548907762 0.75000000000000 0.67120667662703 30.974 > 1 43 P 0.09399451092238 0.25000000000000 0.32879332337297 30.974 > 2 44 P 0.09399451092238 0.75000000000000 0.32879332337297 30.974 > 2 45 P 0.09399451092238 0.25000000000000 0.66212665670630 30.974 > 2 46 P 0.09399451092238 0.75000000000000 0.66212665670630 30.974 > 2 47 P 0.09399451092238 0.25000000000000 0.99545999003963 30.974 > 2 48 P 0.09399451092238 0.75000000000000 0.99545999003963 30.974 > 2 49 P 0.08512403683654 0.36671363739655 0.23713762670761 30.974 > 3 50 P 0.08512403683654 0.86671363739655 0.23713762670761 30.974 > 3 51 P 0.08512403683654 0.36671363739655 0.57047096004094 30.974 > 3 52 P 0.08512403683654 0.86671363739655 0.57047096004094 30.974 > 3 53 P 0.08512403683654 0.36671363739655 0.90380429337427 30.974 > 3 54 P 0.08512403683654 0.86671363739655 0.90380429337427 30.974 > 3 55 P 0.91487596316346 0.36671363739655 0.09619570662573 30.974 > 4 56 P 0.91487596316346 0.86671363739655 0.09619570662573 30.974 > 4 57 P 0.91487596316346 0.36671363739655 0.42952903995906 30.974 > 4 58 P 0.91487596316346 0.86671363739655 0.42952903995906 30.974 > 4 59 P 0.91487596316346 0.36671363739655 0.76286237329239 30.974 > 4 60 P 0.91487596316346 0.86671363739655 0.76286237329239 30.974 > 4 61 P 0.91487596316346 0.13328636260345 0.09619570662573 30.974 > 5 62 P 0.91487596316346 0.63328636260345 0.09619570662573 30.974 > 5 63 P 0.91487596316346 0.13328636260345 0.42952903995906 30.974 > 5 64 P 0.91487596316346 0.63328636260345 0.42952903995906 30.974 > 5 65 P 0.91487596316346 0.13328636260345 0.76286237329239 30.974 > 5 66 P 0.91487596316346 0.63328636260345 0.76286237329239 30.974 > 5 67 P 0.08512403683654 0.13328636260345 0.23713762670761 30.974 > 6 68 P 0.08512403683654 0.63328636260345 0.23713762670761 30.974 > 6 69 P 0.08512403683654 0.13328636260345 0.57047096004094 30.974 > 6 70 P 0.08512403683654 0.63328636260345 0.57047096004094 30.974 > 6 71 P 0.08512403683654 0.13328636260345 0.90380429337427 30.974 > 6 72 P 0.08512403683654 0.63328636260345 0.90380429337427 30.974 > 6 *73 Ba 0.17244694629130 0.00000000000000 0.10513575483896 137.327 > 7 74 Ba 0.17244694629130 0.50000000000000 0.10513575483896 137.327 > 7 75 Ba 0.17244694629130 0.00000000000000 0.43846908817229 137.327 > 7 76 Ba 0.17244694629130 0.50000000000000 0.43846908817229 137.327 > 7 77 Ba 0.17244694629130 0.00000000000000 0.77180242150562 137.327 > 7 78 Ba 0.17244694629130 0.50000000000000 0.77180242150562 137.327 > 7 79 Ba 0.82755305370871 0.00000000000000 0.22819757849438 137.327 > 8 80 Ba 0.82755305370871 0.50000000000000 0.22819757849438 137.327 > 8 81 Ba 0.82755305370871 0.00000000000000 0.56153091182771 137.327 > 8 82 Ba 0.82755305370871 0.50000000000000 0.56153091182771 137.327 > 8 83 Ba 0.82755305370871 0.00000000000000 0.89486424516104 137.327 > 8 84 Ba 0.82755305370871 0.50000000000000 0.89486424516104 137.327 > 8 85 Ba 0.67244694629129 0.25000000000000 0.10513575483896 137.327 > 7 86 Ba 0.67244694629129 0.75000000000000 0.10513575483896 137.327 > 7 87 Ba 0.67244694629129 0.25000000000000 0.43846908817229 137.327 > 7 88 Ba 0.67244694629129 0.75000000000000 0.43846908817229 137.327 > 7 89 Ba 0.67244694629129 0.25000000000000 0.77180242150562 137.327 > 7 90 Ba 0.67244694629129 0.75000000000000 0.77180242150562 137.327 > 7 91 Ba 0.32755305370871 0.25000000000000 0.22819757849438 137.327 > 8 92 Ba 0.32755305370871 0.75000000000000 0.22819757849438 137.327 > 8 93 Ba 0.32755305370871 0.25000000000000 0.56153091182771 137.327 > 8 94 Ba 0.32755305370871 0.75000000000000 0.56153091182771 137.327 > 8 95 Ba 0.32755305370871 0.25000000000000 0.89486424516104 137.327 > 8 96 Ba 0.32755305370871 0.75000000000000 0.89486424516104 137.327 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3569550 0.0000000 -1.0294452 0.0000000 12.9657597 0.0000000 -1.0294469 0.0000000 11.5204616 -------------------------- Born effective charges -------------------------- 1 P -0.3372710 0.0000000 -0.4152334 0.0000000 1.0242614 0.0000000 -0.4651792 0.0000000 -0.2242057 2 P -0.3372710 0.0000000 -0.4152334 0.0000000 1.0242614 0.0000000 -0.4651792 0.0000000 -0.2242057 3 P -1.3099192 0.1112815 0.3596774 0.0830940 -2.1503302 0.5088437 0.4404378 -0.0574593 -1.2304037 4 P -1.3099192 -0.1112815 0.3596774 -0.0830940 -2.1503302 -0.5088437 0.4404378 0.0574593 -1.2304037 5 P -1.3099192 0.1112815 0.3596774 0.0830940 -2.1503302 0.5088437 0.4404378 -0.0574593 -1.2304037 6 P -1.3099192 -0.1112815 0.3596774 -0.0830940 -2.1503302 -0.5088437 0.4404378 0.0574593 -1.2304037 7 Ba 2.9571095 0.0000000 -0.3041213 0.0000000 3.2763990 0.0000000 -0.4156963 0.0000000 2.6850130 8 Ba 2.9571095 0.0000000 -0.3041213 0.0000000 3.2763990 0.0000000 -0.4156963 0.0000000 2.6850130 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4704/4704 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 948 Number of blocks in projector: 948 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: 216 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (948, 930), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (168, 166), data: True |-- (168, 166), data: True |-- (216, 211), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.848 Solver_block: 200 / 240 - Time: 0.873 Solver_block: 240 / 240 - Time: 0.408 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.144 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4704/4704 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 948 Number of blocks in projector: 948 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: 216 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (948, 930), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (168, 166), data: True |-- (168, 166), data: True |-- (216, 211), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:33:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:33:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.780550858880649 -3.827030070000001 0.000000000000000 b 5.780550858880649 3.827030070000001 0.000000000000000 c -1.828983313059682 0.000000000000000 4.354916230188846 Atomic positions (fractional): 1 P 0.40600548907762 0.40600548907762 0.01362002988110 30.974 2 P 0.59399451092238 0.59399451092238 0.98637997011890 30.974 3 P 0.35169676204344 0.81855131162965 0.71141288012282 30.974 4 P 0.18144868837035 0.64830323795656 0.28858711987718 30.974 5 P 0.64830323795656 0.18144868837035 0.28858711987718 30.974 6 P 0.81855131162965 0.35169676204344 0.71141288012282 30.974 7 Ba 0.17244694629130 0.17244694629130 0.31540726451687 137.327 8 Ba 0.82755305370871 0.82755305370871 0.68459273548313 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.561101717761298 0.000000000000000 0.000000000000000 b 0.000000000000000 15.308120280000004 0.000000000000000 c -5.486949939179046 0.000000000000000 13.064748690566539 Atomic positions (fractional): 1 P 0.40600548907762 0.00000000000000 0.00454000996037 30.974 > 1 2 P 0.40600548907762 0.50000000000000 0.00454000996037 30.974 > 1 3 P 0.40600548907762 0.00000000000000 0.33787334329370 30.974 > 1 4 P 0.40600548907762 0.50000000000000 0.33787334329370 30.974 > 1 5 P 0.40600548907762 0.00000000000000 0.67120667662703 30.974 > 1 6 P 0.40600548907762 0.50000000000000 0.67120667662703 30.974 > 1 7 P 0.59399451092238 0.00000000000000 0.32879332337297 30.974 > 7 8 P 0.59399451092238 0.50000000000000 0.32879332337297 30.974 > 7 9 P 0.59399451092238 0.00000000000000 0.66212665670630 30.974 > 7 10 P 0.59399451092238 0.50000000000000 0.66212665670630 30.974 > 7 11 P 0.59399451092238 0.00000000000000 0.99545999003963 30.974 > 7 12 P 0.59399451092238 0.50000000000000 0.99545999003963 30.974 > 7 13 P 0.58512403683654 0.11671363739655 0.23713762670761 30.974 > 13 14 P 0.58512403683654 0.61671363739655 0.23713762670761 30.974 > 13 15 P 0.58512403683654 0.11671363739655 0.57047096004094 30.974 > 13 16 P 0.58512403683654 0.61671363739655 0.57047096004094 30.974 > 13 17 P 0.58512403683654 0.11671363739655 0.90380429337427 30.974 > 13 18 P 0.58512403683654 0.61671363739655 0.90380429337427 30.974 > 13 19 P 0.41487596316346 0.11671363739655 0.09619570662573 30.974 > 19 20 P 0.41487596316346 0.61671363739655 0.09619570662573 30.974 > 19 21 P 0.41487596316346 0.11671363739655 0.42952903995906 30.974 > 19 22 P 0.41487596316346 0.61671363739655 0.42952903995906 30.974 > 19 23 P 0.41487596316346 0.11671363739655 0.76286237329239 30.974 > 19 24 P 0.41487596316346 0.61671363739655 0.76286237329239 30.974 > 19 25 P 0.41487596316346 0.38328636260345 0.09619570662573 30.974 > 25 26 P 0.41487596316346 0.88328636260345 0.09619570662573 30.974 > 25 27 P 0.41487596316346 0.38328636260345 0.42952903995906 30.974 > 25 28 P 0.41487596316346 0.88328636260345 0.42952903995906 30.974 > 25 29 P 0.41487596316346 0.38328636260345 0.76286237329239 30.974 > 25 30 P 0.41487596316346 0.88328636260345 0.76286237329239 30.974 > 25 31 P 0.58512403683654 0.38328636260345 0.23713762670761 30.974 > 31 32 P 0.58512403683654 0.88328636260345 0.23713762670761 30.974 > 31 33 P 0.58512403683654 0.38328636260345 0.57047096004094 30.974 > 31 34 P 0.58512403683654 0.88328636260345 0.57047096004094 30.974 > 31 35 P 0.58512403683654 0.38328636260345 0.90380429337427 30.974 > 31 36 P 0.58512403683654 0.88328636260345 0.90380429337427 30.974 > 31 37 P 0.90600548907762 0.25000000000000 0.00454000996037 30.974 > 1 38 P 0.90600548907762 0.75000000000000 0.00454000996037 30.974 > 1 39 P 0.90600548907762 0.25000000000000 0.33787334329370 30.974 > 1 40 P 0.90600548907762 0.75000000000000 0.33787334329370 30.974 > 1 41 P 0.90600548907762 0.25000000000000 0.67120667662703 30.974 > 1 42 P 0.90600548907762 0.75000000000000 0.67120667662703 30.974 > 1 43 P 0.09399451092238 0.25000000000000 0.32879332337297 30.974 > 7 44 P 0.09399451092238 0.75000000000000 0.32879332337297 30.974 > 7 45 P 0.09399451092238 0.25000000000000 0.66212665670630 30.974 > 7 46 P 0.09399451092238 0.75000000000000 0.66212665670630 30.974 > 7 47 P 0.09399451092238 0.25000000000000 0.99545999003963 30.974 > 7 48 P 0.09399451092238 0.75000000000000 0.99545999003963 30.974 > 7 49 P 0.08512403683654 0.36671363739655 0.23713762670761 30.974 > 13 50 P 0.08512403683654 0.86671363739655 0.23713762670761 30.974 > 13 51 P 0.08512403683654 0.36671363739655 0.57047096004094 30.974 > 13 52 P 0.08512403683654 0.86671363739655 0.57047096004094 30.974 > 13 53 P 0.08512403683654 0.36671363739655 0.90380429337427 30.974 > 13 54 P 0.08512403683654 0.86671363739655 0.90380429337427 30.974 > 13 55 P 0.91487596316346 0.36671363739655 0.09619570662573 30.974 > 19 56 P 0.91487596316346 0.86671363739655 0.09619570662573 30.974 > 19 57 P 0.91487596316346 0.36671363739655 0.42952903995906 30.974 > 19 58 P 0.91487596316346 0.86671363739655 0.42952903995906 30.974 > 19 59 P 0.91487596316346 0.36671363739655 0.76286237329239 30.974 > 19 60 P 0.91487596316346 0.86671363739655 0.76286237329239 30.974 > 19 61 P 0.91487596316346 0.13328636260345 0.09619570662573 30.974 > 25 62 P 0.91487596316346 0.63328636260345 0.09619570662573 30.974 > 25 63 P 0.91487596316346 0.13328636260345 0.42952903995906 30.974 > 25 64 P 0.91487596316346 0.63328636260345 0.42952903995906 30.974 > 25 65 P 0.91487596316346 0.13328636260345 0.76286237329239 30.974 > 25 66 P 0.91487596316346 0.63328636260345 0.76286237329239 30.974 > 25 67 P 0.08512403683654 0.13328636260345 0.23713762670761 30.974 > 31 68 P 0.08512403683654 0.63328636260345 0.23713762670761 30.974 > 31 69 P 0.08512403683654 0.13328636260345 0.57047096004094 30.974 > 31 70 P 0.08512403683654 0.63328636260345 0.57047096004094 30.974 > 31 71 P 0.08512403683654 0.13328636260345 0.90380429337427 30.974 > 31 72 P 0.08512403683654 0.63328636260345 0.90380429337427 30.974 > 31 73 Ba 0.17244694629130 0.00000000000000 0.10513575483896 137.327 > 73 74 Ba 0.17244694629130 0.50000000000000 0.10513575483896 137.327 > 73 75 Ba 0.17244694629130 0.00000000000000 0.43846908817229 137.327 > 73 76 Ba 0.17244694629130 0.50000000000000 0.43846908817229 137.327 > 73 77 Ba 0.17244694629130 0.00000000000000 0.77180242150562 137.327 > 73 78 Ba 0.17244694629130 0.50000000000000 0.77180242150562 137.327 > 73 79 Ba 0.82755305370871 0.00000000000000 0.22819757849438 137.327 > 79 80 Ba 0.82755305370871 0.50000000000000 0.22819757849438 137.327 > 79 81 Ba 0.82755305370871 0.00000000000000 0.56153091182771 137.327 > 79 82 Ba 0.82755305370871 0.50000000000000 0.56153091182771 137.327 > 79 83 Ba 0.82755305370871 0.00000000000000 0.89486424516104 137.327 > 79 84 Ba 0.82755305370871 0.50000000000000 0.89486424516104 137.327 > 79 85 Ba 0.67244694629129 0.25000000000000 0.10513575483896 137.327 > 73 86 Ba 0.67244694629129 0.75000000000000 0.10513575483896 137.327 > 73 87 Ba 0.67244694629129 0.25000000000000 0.43846908817229 137.327 > 73 88 Ba 0.67244694629129 0.75000000000000 0.43846908817229 137.327 > 73 89 Ba 0.67244694629129 0.25000000000000 0.77180242150562 137.327 > 73 90 Ba 0.67244694629129 0.75000000000000 0.77180242150562 137.327 > 73 91 Ba 0.32755305370871 0.25000000000000 0.22819757849438 137.327 > 79 92 Ba 0.32755305370871 0.75000000000000 0.22819757849438 137.327 > 79 93 Ba 0.32755305370871 0.25000000000000 0.56153091182771 137.327 > 79 94 Ba 0.32755305370871 0.75000000000000 0.56153091182771 137.327 > 79 95 Ba 0.32755305370871 0.25000000000000 0.89486424516104 137.327 > 79 96 Ba 0.32755305370871 0.75000000000000 0.89486424516104 137.327 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3569550 0.0000000 -1.0294452 0.0000000 12.9657597 0.0000000 -1.0294469 0.0000000 11.5204616 -------------------------- Born effective charges -------------------------- 1 P -0.3372710 0.0000000 -0.4152334 0.0000000 1.0242614 0.0000000 -0.4651792 0.0000000 -0.2242057 2 P -0.3372710 0.0000000 -0.4152334 0.0000000 1.0242614 0.0000000 -0.4651792 0.0000000 -0.2242057 3 P -1.3099192 0.1112815 0.3596774 0.0830940 -2.1503302 0.5088437 0.4404378 -0.0574593 -1.2304037 4 P -1.3099192 -0.1112815 0.3596774 -0.0830940 -2.1503302 -0.5088437 0.4404378 0.0574593 -1.2304037 5 P -1.3099192 0.1112815 0.3596774 0.0830940 -2.1503302 0.5088437 0.4404378 -0.0574593 -1.2304037 6 P -1.3099192 -0.1112815 0.3596774 -0.0830940 -2.1503302 -0.5088437 0.4404378 0.0574593 -1.2304037 7 Ba 2.9571095 0.0000000 -0.3041213 0.0000000 3.2763990 0.0000000 -0.4156963 0.0000000 2.6850130 8 Ba 2.9571095 0.0000000 -0.3041213 0.0000000 3.2763990 0.0000000 -0.4156963 0.0000000 2.6850130 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 13, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:33:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:33:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.780550858880649 -3.827030070000001 0.000000000000000 b 5.780550858880649 3.827030070000001 0.000000000000000 c -1.828983313059682 0.000000000000000 4.354916230188846 Atomic positions (fractional): 1 P 0.40600548907762 0.40600548907762 0.01362002988110 30.974 2 P 0.59399451092238 0.59399451092238 0.98637997011890 30.974 3 P 0.35169676204344 0.81855131162965 0.71141288012282 30.974 4 P 0.18144868837035 0.64830323795656 0.28858711987718 30.974 5 P 0.64830323795656 0.18144868837035 0.28858711987718 30.974 6 P 0.81855131162965 0.35169676204344 0.71141288012282 30.974 7 Ba 0.17244694629130 0.17244694629130 0.31540726451687 137.327 8 Ba 0.82755305370871 0.82755305370871 0.68459273548313 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.561101717761298 0.000000000000000 0.000000000000000 b 0.000000000000000 15.308120280000004 0.000000000000000 c -5.486949939179046 0.000000000000000 13.064748690566539 Atomic positions (fractional): 1 P 0.40600548907762 0.00000000000000 0.00454000996037 30.974 > 1 2 P 0.40600548907762 0.50000000000000 0.00454000996037 30.974 > 1 3 P 0.40600548907762 0.00000000000000 0.33787334329370 30.974 > 1 4 P 0.40600548907762 0.50000000000000 0.33787334329370 30.974 > 1 5 P 0.40600548907762 0.00000000000000 0.67120667662703 30.974 > 1 6 P 0.40600548907762 0.50000000000000 0.67120667662703 30.974 > 1 7 P 0.59399451092238 0.00000000000000 0.32879332337297 30.974 > 7 8 P 0.59399451092238 0.50000000000000 0.32879332337297 30.974 > 7 9 P 0.59399451092238 0.00000000000000 0.66212665670630 30.974 > 7 10 P 0.59399451092238 0.50000000000000 0.66212665670630 30.974 > 7 11 P 0.59399451092238 0.00000000000000 0.99545999003963 30.974 > 7 12 P 0.59399451092238 0.50000000000000 0.99545999003963 30.974 > 7 13 P 0.58512403683654 0.11671363739655 0.23713762670761 30.974 > 13 14 P 0.58512403683654 0.61671363739655 0.23713762670761 30.974 > 13 15 P 0.58512403683654 0.11671363739655 0.57047096004094 30.974 > 13 16 P 0.58512403683654 0.61671363739655 0.57047096004094 30.974 > 13 17 P 0.58512403683654 0.11671363739655 0.90380429337427 30.974 > 13 18 P 0.58512403683654 0.61671363739655 0.90380429337427 30.974 > 13 19 P 0.41487596316346 0.11671363739655 0.09619570662573 30.974 > 19 20 P 0.41487596316346 0.61671363739655 0.09619570662573 30.974 > 19 21 P 0.41487596316346 0.11671363739655 0.42952903995906 30.974 > 19 22 P 0.41487596316346 0.61671363739655 0.42952903995906 30.974 > 19 23 P 0.41487596316346 0.11671363739655 0.76286237329239 30.974 > 19 24 P 0.41487596316346 0.61671363739655 0.76286237329239 30.974 > 19 25 P 0.41487596316346 0.38328636260345 0.09619570662573 30.974 > 25 26 P 0.41487596316346 0.88328636260345 0.09619570662573 30.974 > 25 27 P 0.41487596316346 0.38328636260345 0.42952903995906 30.974 > 25 28 P 0.41487596316346 0.88328636260345 0.42952903995906 30.974 > 25 29 P 0.41487596316346 0.38328636260345 0.76286237329239 30.974 > 25 30 P 0.41487596316346 0.88328636260345 0.76286237329239 30.974 > 25 31 P 0.58512403683654 0.38328636260345 0.23713762670761 30.974 > 31 32 P 0.58512403683654 0.88328636260345 0.23713762670761 30.974 > 31 33 P 0.58512403683654 0.38328636260345 0.57047096004094 30.974 > 31 34 P 0.58512403683654 0.88328636260345 0.57047096004094 30.974 > 31 35 P 0.58512403683654 0.38328636260345 0.90380429337427 30.974 > 31 36 P 0.58512403683654 0.88328636260345 0.90380429337427 30.974 > 31 37 P 0.90600548907762 0.25000000000000 0.00454000996037 30.974 > 1 38 P 0.90600548907762 0.75000000000000 0.00454000996037 30.974 > 1 39 P 0.90600548907762 0.25000000000000 0.33787334329370 30.974 > 1 40 P 0.90600548907762 0.75000000000000 0.33787334329370 30.974 > 1 41 P 0.90600548907762 0.25000000000000 0.67120667662703 30.974 > 1 42 P 0.90600548907762 0.75000000000000 0.67120667662703 30.974 > 1 43 P 0.09399451092238 0.25000000000000 0.32879332337297 30.974 > 7 44 P 0.09399451092238 0.75000000000000 0.32879332337297 30.974 > 7 45 P 0.09399451092238 0.25000000000000 0.66212665670630 30.974 > 7 46 P 0.09399451092238 0.75000000000000 0.66212665670630 30.974 > 7 47 P 0.09399451092238 0.25000000000000 0.99545999003963 30.974 > 7 48 P 0.09399451092238 0.75000000000000 0.99545999003963 30.974 > 7 49 P 0.08512403683654 0.36671363739655 0.23713762670761 30.974 > 13 50 P 0.08512403683654 0.86671363739655 0.23713762670761 30.974 > 13 51 P 0.08512403683654 0.36671363739655 0.57047096004094 30.974 > 13 52 P 0.08512403683654 0.86671363739655 0.57047096004094 30.974 > 13 53 P 0.08512403683654 0.36671363739655 0.90380429337427 30.974 > 13 54 P 0.08512403683654 0.86671363739655 0.90380429337427 30.974 > 13 55 P 0.91487596316346 0.36671363739655 0.09619570662573 30.974 > 19 56 P 0.91487596316346 0.86671363739655 0.09619570662573 30.974 > 19 57 P 0.91487596316346 0.36671363739655 0.42952903995906 30.974 > 19 58 P 0.91487596316346 0.86671363739655 0.42952903995906 30.974 > 19 59 P 0.91487596316346 0.36671363739655 0.76286237329239 30.974 > 19 60 P 0.91487596316346 0.86671363739655 0.76286237329239 30.974 > 19 61 P 0.91487596316346 0.13328636260345 0.09619570662573 30.974 > 25 62 P 0.91487596316346 0.63328636260345 0.09619570662573 30.974 > 25 63 P 0.91487596316346 0.13328636260345 0.42952903995906 30.974 > 25 64 P 0.91487596316346 0.63328636260345 0.42952903995906 30.974 > 25 65 P 0.91487596316346 0.13328636260345 0.76286237329239 30.974 > 25 66 P 0.91487596316346 0.63328636260345 0.76286237329239 30.974 > 25 67 P 0.08512403683654 0.13328636260345 0.23713762670761 30.974 > 31 68 P 0.08512403683654 0.63328636260345 0.23713762670761 30.974 > 31 69 P 0.08512403683654 0.13328636260345 0.57047096004094 30.974 > 31 70 P 0.08512403683654 0.63328636260345 0.57047096004094 30.974 > 31 71 P 0.08512403683654 0.13328636260345 0.90380429337427 30.974 > 31 72 P 0.08512403683654 0.63328636260345 0.90380429337427 30.974 > 31 73 Ba 0.17244694629130 0.00000000000000 0.10513575483896 137.327 > 73 74 Ba 0.17244694629130 0.50000000000000 0.10513575483896 137.327 > 73 75 Ba 0.17244694629130 0.00000000000000 0.43846908817229 137.327 > 73 76 Ba 0.17244694629130 0.50000000000000 0.43846908817229 137.327 > 73 77 Ba 0.17244694629130 0.00000000000000 0.77180242150562 137.327 > 73 78 Ba 0.17244694629130 0.50000000000000 0.77180242150562 137.327 > 73 79 Ba 0.82755305370871 0.00000000000000 0.22819757849438 137.327 > 79 80 Ba 0.82755305370871 0.50000000000000 0.22819757849438 137.327 > 79 81 Ba 0.82755305370871 0.00000000000000 0.56153091182771 137.327 > 79 82 Ba 0.82755305370871 0.50000000000000 0.56153091182771 137.327 > 79 83 Ba 0.82755305370871 0.00000000000000 0.89486424516104 137.327 > 79 84 Ba 0.82755305370871 0.50000000000000 0.89486424516104 137.327 > 79 85 Ba 0.67244694629129 0.25000000000000 0.10513575483896 137.327 > 73 86 Ba 0.67244694629129 0.75000000000000 0.10513575483896 137.327 > 73 87 Ba 0.67244694629129 0.25000000000000 0.43846908817229 137.327 > 73 88 Ba 0.67244694629129 0.75000000000000 0.43846908817229 137.327 > 73 89 Ba 0.67244694629129 0.25000000000000 0.77180242150562 137.327 > 73 90 Ba 0.67244694629129 0.75000000000000 0.77180242150562 137.327 > 73 91 Ba 0.32755305370871 0.25000000000000 0.22819757849438 137.327 > 79 92 Ba 0.32755305370871 0.75000000000000 0.22819757849438 137.327 > 79 93 Ba 0.32755305370871 0.25000000000000 0.56153091182771 137.327 > 79 94 Ba 0.32755305370871 0.75000000000000 0.56153091182771 137.327 > 79 95 Ba 0.32755305370871 0.25000000000000 0.89486424516104 137.327 > 79 96 Ba 0.32755305370871 0.75000000000000 0.89486424516104 137.327 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3569550 0.0000000 -1.0294452 0.0000000 12.9657597 0.0000000 -1.0294469 0.0000000 11.5204616 -------------------------- Born effective charges -------------------------- 1 P -0.3372710 0.0000000 -0.4152334 0.0000000 1.0242614 0.0000000 -0.4651792 0.0000000 -0.2242057 2 P -0.3372710 0.0000000 -0.4152334 0.0000000 1.0242614 0.0000000 -0.4651792 0.0000000 -0.2242057 3 P -1.3099192 0.1112815 0.3596774 0.0830940 -2.1503302 0.5088437 0.4404378 -0.0574593 -1.2304037 4 P -1.3099192 -0.1112815 0.3596774 -0.0830940 -2.1503302 -0.5088437 0.4404378 0.0574593 -1.2304037 5 P -1.3099192 0.1112815 0.3596774 0.0830940 -2.1503302 0.5088437 0.4404378 -0.0574593 -1.2304037 6 P -1.3099192 -0.1112815 0.3596774 -0.0830940 -2.1503302 -0.5088437 0.4404378 0.0574593 -1.2304037 7 Ba 2.9571095 0.0000000 -0.3041213 0.0000000 3.2763990 0.0000000 -0.4156963 0.0000000 2.6850130 8 Ba 2.9571095 0.0000000 -0.3041213 0.0000000 3.2763990 0.0000000 -0.4156963 0.0000000 2.6850130 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 11 ] 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: 0.72, Number of G-points: 301, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/201) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 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 1.854 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.489 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 13.334 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/201) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 12.631 -18.749 8.050) 23.997 0.566 ( 15.946 -21.732 6.802) 27.799 0.862 ( 19.280 -37.284 4.464) 42.211 1.945 ( 5.910 -4.313 4.374) 8.524 2.317 ( -1.181 3.453 -1.390) 3.905 2.680 ( -3.800 0.627 -2.336) 4.504 2.919 ( -1.074 -3.710 0.217) 3.869 3.592 ( 1.951 3.645 4.690) 6.252 3.778 ( 1.030 -0.645 -0.387) 1.275 4.341 ( -3.983 3.939 -4.987) 7.500 4.949 ( 0.212 -4.094 -0.071) 4.100 5.345 ( 2.425 0.704 -3.149) 4.037 5.425 ( 4.175 -4.423 -3.727) 7.133 5.846 ( -0.915 1.462 -0.207) 1.737 6.766 ( 0.295 -2.941 0.670) 3.031 7.234 ( 1.579 0.653 -0.393) 1.753 8.784 ( 0.729 -0.131 0.232) 0.776 10.708 ( -0.151 0.310 -0.234) 0.417 11.856 ( -1.908 -1.229 -0.780) 2.400 12.171 ( 0.288 2.404 -0.287) 2.438 12.285 ( 0.705 0.336 0.226) 0.813 12.710 ( -8.554 -9.022 -3.770) 12.991 12.906 ( 0.295 0.044 -0.109) 0.317 13.335 ( -0.393 -0.431 -0.264) 0.640 ======================= Grid point 2 (3/201) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 10.737 -15.535 6.387) 19.935 1.100 ( 13.979 -19.226 6.983) 24.775 1.643 ( 14.975 -31.085 5.912) 35.007 2.084 ( 5.748 -0.828 2.031) 6.153 2.228 ( -0.914 3.602 -1.255) 3.922 2.624 ( -3.738 -1.328 -3.402) 5.226 3.001 ( 0.399 -6.256 1.240) 6.390 3.512 ( -2.861 6.224 0.786) 6.895 3.844 ( 7.222 -0.413 1.230) 7.338 4.150 ( -8.904 8.210 -3.319) 12.557 5.038 ( 0.554 -5.907 -0.061) 5.934 5.340 ( 1.660 0.966 -2.173) 2.900 5.555 ( 4.056 -6.578 -1.537) 7.879 5.800 ( -1.135 2.404 -0.426) 2.693 6.836 ( 0.167 -4.340 1.042) 4.467 7.239 ( 2.219 0.973 -0.455) 2.465 8.798 ( 0.706 -0.214 0.746) 1.049 10.697 ( -0.237 0.468 -0.326) 0.618 11.852 ( -0.917 -0.451 -0.473) 1.126 12.123 ( 0.116 3.365 0.032) 3.367 12.287 ( 0.977 0.703 0.271) 1.234 12.759 ( -3.447 -5.967 -1.402) 7.032 12.910 ( 0.532 -0.006 -0.287) 0.604 13.337 ( -0.546 -0.595 -0.345) 0.878 ======================= Grid point 3 (4/201) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 7.255 -10.836 4.206) 13.702 1.515 ( 9.472 -10.338 5.201) 14.954 2.023 ( -5.459 -3.790 2.297) 7.032 2.204 ( 2.212 -1.001 0.380) 2.457 2.227 ( 9.333 -4.972 0.121) 10.575 2.673 ( 3.004 -10.621 -2.893) 11.410 3.128 ( 3.682 -4.891 2.086) 6.468 3.379 ( -4.479 3.741 -0.691) 5.876 3.814 ( -4.696 14.478 1.343) 15.280 3.970 ( -0.204 -2.000 -2.595) 3.283 5.135 ( 0.444 -4.680 0.009) 4.702 5.329 ( 0.933 1.191 -0.985) 1.805 5.682 ( 1.107 -5.269 -1.108) 5.497 5.752 ( 0.761 2.423 -0.284) 2.556 6.905 ( -0.112 -3.104 0.818) 3.212 7.245 ( 1.597 0.645 -0.262) 1.742 8.810 ( 0.450 -0.114 0.573) 0.737 10.687 ( -0.185 0.354 -0.227) 0.459 11.848 ( -0.433 -0.197 -0.260) 0.542 12.075 ( 0.047 2.395 0.083) 2.397 12.285 ( 0.674 0.652 0.173) 0.954 12.808 ( -1.511 -3.545 -0.428) 3.877 12.914 ( 0.520 0.064 -0.332) 0.620 13.339 ( -0.377 -0.412 -0.224) 0.602 ======================= Grid point 4 (5/201) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 178 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 0.000 -0.000) 0.000 1.639 ( 0.000 -0.000 0.000) 0.000 2.051 ( 0.000 -0.000 0.000) 0.000 2.209 ( 0.000 -0.000 0.000) 0.000 2.272 ( 0.000 -0.000 0.000) 0.000 2.864 ( 0.000 -0.000 0.000) 0.000 3.205 ( 0.000 -0.000 -0.000) 0.000 3.345 ( 0.000 -0.000 0.000) 0.000 3.577 ( 0.000 -0.000 0.000) 0.000 3.996 ( 0.000 -0.000 0.000) 0.000 5.180 ( 0.000 -0.000 0.000) 0.000 5.319 ( 0.000 -0.000 0.000) 0.000 5.713 ( 0.000 -0.000 0.000) 0.000 5.752 ( 0.000 -0.000 0.000) 0.000 6.932 ( 0.000 -0.000 0.000) 0.000 7.248 ( 0.000 -0.000 0.000) 0.000 8.815 ( 0.000 -0.000 0.000) 0.000 10.682 ( 0.000 -0.000 0.000) 0.000 11.846 ( 0.000 -0.000 0.000) 0.000 12.055 ( 0.000 -0.000 0.000) 0.000 12.284 ( 0.000 -0.000 0.000) 0.000 12.829 ( 0.000 -0.000 0.000) 0.000 12.915 ( 0.000 -0.000 0.000) 0.000 13.340 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/201) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 23.299 0.000 6.736) 24.253 0.673 ( 23.549 0.000 15.251) 28.056 0.922 ( 38.274 0.000 8.527) 39.212 2.037 ( 10.995 0.000 9.012) 14.216 2.348 ( -0.447 -0.000 -0.735) 0.861 2.658 ( -3.887 -0.000 -2.739) 4.756 2.830 ( -5.990 -0.000 1.944) 6.297 3.649 ( -5.864 -0.000 4.236) 7.234 3.688 ( 2.102 0.000 -3.801) 4.344 4.358 ( 0.561 0.000 -7.973) 7.993 4.917 ( 0.984 0.000 -0.998) 1.402 5.394 ( 5.382 0.000 -12.726) 13.818 5.411 ( 5.968 0.000 0.908) 6.037 5.855 ( -0.831 -0.000 0.071) 0.834 6.741 ( -0.254 -0.000 1.363) 1.387 7.264 ( 2.926 0.000 -0.258) 2.938 8.795 ( 1.075 0.000 0.407) 1.149 10.709 ( -0.053 -0.000 -0.425) 0.428 11.802 ( -0.194 -0.000 0.055) 0.201 12.196 ( 0.687 0.000 -1.278) 1.451 12.305 ( 1.563 0.000 0.932) 1.820 12.503 ( 1.084 0.000 0.269) 1.117 12.911 ( 0.545 0.000 -0.067) 0.549 13.320 ( -0.851 -0.000 -0.941) 1.269 ======================= Grid point 11 (7/201) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 19.390 -9.369 6.880) 22.607 1.082 ( 20.132 -10.819 11.658) 25.656 1.502 ( 30.049 -16.345 7.280) 34.973 2.201 ( 9.118 1.220 8.523) 12.541 2.281 ( -0.501 4.795 -1.170) 4.961 2.567 ( -4.004 1.173 -2.864) 5.060 2.876 ( -2.512 -8.685 2.548) 9.393 3.559 ( -5.249 4.333 -0.237) 6.810 3.773 ( -0.442 -8.137 -4.753) 9.434 4.233 ( -3.301 9.104 -3.257) 10.217 4.961 ( 1.402 -4.079 -0.732) 4.375 5.376 ( 3.558 1.733 -5.450) 6.735 5.521 ( 6.311 -3.554 -0.482) 7.259 5.825 ( -0.758 1.976 0.027) 2.116 6.776 ( -0.316 -3.366 1.625) 3.752 7.288 ( 3.478 1.207 -0.478) 3.712 8.810 ( 1.030 0.044 1.106) 1.512 10.701 ( -0.077 0.465 -0.488) 0.678 11.819 ( -0.905 -1.670 -0.302) 1.923 12.176 ( 0.328 2.504 -0.241) 2.536 12.319 ( 1.902 1.013 0.698) 2.265 12.597 ( -0.962 -7.801 -0.566) 7.880 12.917 ( 0.756 0.092 -0.174) 0.781 13.312 ( -1.097 -0.852 -1.019) 1.723 ======================= Grid point 12 (8/201) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 15.692 -6.731 4.723) 17.716 1.511 ( 15.768 -10.778 8.408) 20.869 1.947 ( 2.925 -2.513 3.540) 5.235 2.254 ( 6.612 1.019 1.866) 6.945 2.303 ( 11.051 -2.565 4.894) 12.355 2.543 ( -0.590 -5.210 -2.971) 6.026 3.056 ( 3.120 -9.709 4.083) 10.985 3.402 ( -5.774 6.172 -2.174) 8.727 3.830 ( -6.989 -3.339 -6.596) 10.174 4.010 ( -2.553 9.713 0.009) 10.043 5.056 ( 1.181 -5.499 -0.215) 5.629 5.363 ( 2.315 1.674 -2.614) 3.873 5.631 ( 3.097 -2.953 -0.439) 4.302 5.796 ( 1.473 1.420 -0.197) 2.056 6.846 ( -0.310 -4.286 1.568) 4.575 7.292 ( 2.780 2.174 -0.539) 3.571 8.823 ( 0.756 0.329 0.989) 1.288 10.690 ( -0.074 0.477 -0.376) 0.612 11.830 ( -0.621 -1.021 -0.258) 1.223 12.126 ( 0.093 3.480 0.093) 3.483 12.318 ( 1.479 1.642 0.412) 2.248 12.703 ( -0.958 -6.505 -0.305) 6.582 12.923 ( 0.913 0.117 -0.319) 0.975 13.315 ( -0.956 -1.314 -0.748) 1.789 ======================= Grid point 13 (9/201) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 11.346 -0.280 0.405) 11.357 1.716 ( 4.618 6.725 0.839) 8.201 1.975 ( -0.708 -6.995 5.811) 9.121 2.231 ( -1.016 2.458 2.239) 3.476 2.387 ( 5.786 6.264 0.237) 8.530 2.818 ( 8.731 -11.136 2.988) 14.463 3.210 ( -1.853 2.379 -1.571) 3.400 3.294 ( 2.090 -6.207 1.236) 6.665 3.619 ( -7.188 8.719 -4.694) 12.236 3.946 ( -4.356 -2.026 -1.174) 4.946 5.147 ( 0.575 -3.972 0.112) 4.015 5.344 ( 1.094 2.030 -0.988) 2.509 5.676 ( -0.269 -1.723 0.095) 1.747 5.804 ( 3.021 1.672 -0.156) 3.456 6.911 ( -0.082 -2.843 1.015) 3.020 7.274 ( 1.227 2.336 -0.479) 2.682 8.823 ( 0.314 0.665 0.441) 0.858 10.683 ( 0.028 0.190 -0.145) 0.241 11.839 ( -0.201 -0.712 -0.067) 0.743 12.076 ( -0.019 2.476 0.041) 2.476 12.303 ( 0.707 1.719 0.194) 1.869 12.783 ( -0.580 -4.356 0.118) 4.395 12.928 ( 0.925 0.436 -0.280) 1.060 13.325 ( -0.541 -1.243 -0.404) 1.414 ======================= Grid point 14 (10/201) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 3.965 15.774 -3.614) 16.661 1.588 ( -2.773 8.031 -1.463) 8.622 2.076 ( -0.234 -1.550 5.498) 5.717 2.190 ( -1.470 1.838 -0.570) 2.422 2.341 ( 4.564 8.453 -0.378) 9.614 2.842 ( -1.930 11.068 3.849) 11.876 3.117 ( -4.388 0.949 -1.606) 4.768 3.388 ( 2.165 -0.065 -0.938) 2.360 3.633 ( 4.431 -11.172 -3.554) 12.534 3.935 ( -4.493 -4.627 1.208) 6.561 5.182 ( 0.079 0.713 0.108) 0.725 5.321 ( 0.097 0.775 -0.032) 0.782 5.705 ( -0.586 -2.038 0.254) 2.135 5.775 ( 1.275 4.629 0.610) 4.840 6.935 ( 0.162 0.432 0.166) 0.490 7.243 ( -0.293 1.650 -0.226) 1.690 8.813 ( -0.091 0.789 -0.107) 0.802 10.684 ( 0.151 -0.225 0.061) 0.278 11.849 ( 0.129 -0.499 0.117) 0.528 12.054 ( -0.053 0.039 -0.048) 0.082 12.284 ( 0.014 0.995 0.018) 0.995 12.831 ( 0.006 -1.702 0.354) 1.739 12.925 ( 0.701 0.967 -0.028) 1.195 13.337 ( -0.114 -0.760 -0.118) 0.777 ======================= Grid point 15 (11/201) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.468 20.757 -2.590) 20.924 1.306 ( -4.718 19.312 -2.833) 20.081 2.013 ( -5.434 25.724 -2.271) 26.389 2.086 ( -0.731 3.339 1.049) 3.576 2.195 ( 0.904 -0.688 0.662) 1.315 2.720 ( 2.363 4.491 3.293) 6.049 3.061 ( -1.158 2.370 -1.018) 2.827 3.434 ( 0.409 -4.016 -0.564) 4.076 3.726 ( -4.045 -3.174 -2.867) 5.887 4.093 ( 3.946 -11.086 2.052) 11.945 5.128 ( -0.148 5.138 0.000) 5.140 5.323 ( -0.260 -0.722 0.438) 0.883 5.648 ( -1.511 7.071 0.506) 7.248 5.774 ( 0.997 -2.197 0.526) 2.470 6.900 ( -0.026 3.734 -0.312) 3.747 7.219 ( -0.769 0.411 0.092) 0.877 8.797 ( -0.247 0.699 -0.289) 0.796 10.693 ( 0.157 -0.497 0.124) 0.535 11.859 ( 0.274 -0.354 0.181) 0.483 12.073 ( -0.038 -2.368 -0.046) 2.368 12.274 ( -0.265 0.070 -0.063) 0.281 12.843 ( 0.869 0.985 0.449) 1.388 12.914 ( 0.222 0.838 0.162) 0.882 13.345 ( 0.092 -0.134 0.025) 0.165 ======================= Grid point 16 (12/201) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 23.541 -0.000) 23.541 0.890 ( 0.000 25.644 -0.000) 25.644 1.420 ( 0.000 38.827 -0.000) 38.827 1.996 ( 0.000 5.798 -0.000) 5.798 2.262 ( -0.000 -4.525 0.000) 4.525 2.711 ( 0.000 0.543 -0.000) 0.543 2.992 ( 0.000 4.770 -0.000) 4.770 3.505 ( -0.000 -4.349 0.000) 4.349 3.733 ( -0.000 -2.353 0.000) 2.353 4.286 ( -0.000 -8.064 0.000) 8.064 5.033 ( 0.000 5.937 -0.000) 5.937 5.334 ( -0.000 -0.513 0.000) 0.513 5.513 ( 0.000 7.637 -0.000) 7.637 5.821 ( -0.000 -2.398 0.000) 2.398 6.826 ( 0.000 4.621 -0.000) 4.621 7.216 ( -0.000 -0.512 0.000) 0.512 8.785 ( 0.000 0.489 -0.000) 0.489 10.703 ( -0.000 -0.495 0.000) 0.495 11.867 ( -0.000 -0.324 0.000) 0.324 12.122 ( -0.000 -3.314 0.000) 3.314 12.275 ( -0.000 -0.366 0.000) 0.366 12.824 ( 0.000 2.220 -0.000) 2.220 12.907 ( 0.000 0.249 -0.000) 0.249 13.344 ( 0.000 0.333 -0.000) 0.333 ======================= Grid point 19 (13/201) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 20.687 0.000 4.799) 21.236 1.270 ( 18.816 0.000 13.959) 23.428 1.775 ( 33.091 0.000 4.311) 33.371 2.327 ( 2.469 0.000 8.845) 9.183 2.332 ( 0.143 0.000 0.478) 0.499 2.536 ( -3.669 -0.000 -2.649) 4.526 2.774 ( 1.791 0.000 6.710) 6.945 3.531 ( -5.552 -0.000 -1.979) 5.894 3.681 ( 1.364 0.000 -6.884) 7.018 4.238 ( -7.151 -0.000 -4.314) 8.352 4.942 ( 2.082 0.000 -0.940) 2.284 5.401 ( 3.206 0.000 -6.005) 6.807 5.573 ( 7.456 0.000 0.838) 7.503 5.834 ( -1.067 -0.000 0.164) 1.079 6.750 ( -0.411 -0.000 1.975) 2.018 7.338 ( 3.829 0.000 -0.439) 3.854 8.829 ( 1.080 0.000 1.385) 1.756 10.703 ( -0.028 -0.000 -0.576) 0.577 11.797 ( -0.279 -0.000 0.075) 0.289 12.200 ( 0.391 0.000 -0.316) 0.503 12.359 ( 2.307 0.000 0.962) 2.500 12.537 ( 1.662 0.000 0.447) 1.721 12.926 ( 0.785 0.000 -0.085) 0.789 13.284 ( -1.327 -0.000 -1.405) 1.932 ======================= Grid point 20 (14/201) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 16.852 -5.446 3.364) 18.027 1.575 ( 14.554 -6.856 11.737) 19.914 2.047 ( 9.607 3.638 -3.247) 10.774 2.340 ( -2.691 2.136 3.934) 5.223 2.385 ( 9.293 -6.896 2.006) 11.744 2.507 ( 6.261 1.798 4.855) 8.124 2.963 ( 6.709 -8.889 8.357) 13.923 3.421 ( -5.234 4.600 -3.182) 7.660 3.685 ( -2.098 -3.053 -7.732) 8.574 4.067 ( -10.105 5.854 -3.731) 12.259 4.993 ( 1.855 -3.665 -0.550) 4.144 5.401 ( 2.602 1.114 -3.624) 4.599 5.653 ( 4.896 0.022 0.573) 4.929 5.821 ( 0.545 0.200 0.028) 0.581 6.783 ( -0.465 -3.307 1.768) 3.779 7.359 ( 3.154 1.929 -0.490) 3.729 8.843 ( 0.854 0.365 1.205) 1.521 10.696 ( 0.013 0.442 -0.458) 0.637 11.805 ( -0.392 -1.105 -0.036) 1.173 12.181 ( 0.193 2.592 0.045) 2.600 12.369 ( 1.952 1.813 0.613) 2.734 12.603 ( 0.928 -4.958 0.250) 5.050 12.933 ( 0.785 0.062 -0.138) 0.799 13.275 ( -1.225 -1.293 -1.163) 2.127 ======================= Grid point 21 (15/201) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 10.245 -2.214 1.286) 10.560 1.879 ( 9.344 -7.761 8.639) 14.905 1.951 ( 1.821 9.173 -3.717) 10.063 2.266 ( -4.314 3.033 2.487) 5.831 2.485 ( 0.334 -1.903 -0.870) 2.119 2.814 ( 19.816 -7.611 9.348) 23.195 3.208 ( 5.141 -6.512 4.991) 9.682 3.260 ( -3.064 4.891 -3.336) 6.667 3.612 ( -6.192 2.974 -7.370) 10.075 3.855 ( -10.867 2.137 -3.237) 11.539 5.080 ( 1.001 -4.832 -0.072) 4.935 5.387 ( 1.534 1.966 -1.647) 2.988 5.673 ( 0.964 0.804 0.589) 1.387 5.847 ( 2.643 -0.283 -0.275) 2.672 6.852 ( -0.296 -4.396 1.233) 4.575 7.338 ( 1.754 3.450 -0.463) 3.898 8.844 ( 0.455 0.898 0.661) 1.204 10.688 ( 0.052 0.403 -0.229) 0.466 11.820 ( -0.244 -1.189 -0.044) 1.215 12.128 ( 0.025 3.635 0.089) 3.637 12.351 ( 1.074 2.595 0.287) 2.823 12.698 ( 0.211 -5.440 0.159) 5.447 12.940 ( 0.711 0.052 -0.171) 0.733 13.288 ( -0.785 -1.998 -0.653) 2.244 ======================= Grid point 22 (16/201) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 1.939 4.137 -0.132) 4.571 1.776 ( 3.359 14.391 -2.707) 15.023 2.068 ( 2.521 -2.799 5.589) 6.740 2.199 ( -2.630 0.895 0.260) 2.790 2.500 ( 3.718 3.249 -0.196) 4.941 3.023 ( 2.082 6.440 11.837) 13.636 3.099 ( -0.738 4.794 -7.799) 9.184 3.387 ( 0.725 -1.951 -1.224) 2.415 3.535 ( 6.204 -5.995 -2.735) 9.051 3.756 ( -10.839 -5.950 -0.993) 12.405 5.158 ( 0.278 -3.440 0.091) 3.453 5.355 ( 0.462 2.587 -0.419) 2.661 5.679 ( 0.108 -0.804 0.313) 0.870 5.853 ( 1.270 2.561 -0.014) 2.859 6.918 ( 0.006 -2.905 0.488) 2.945 7.288 ( 0.412 3.649 -0.281) 3.683 8.831 ( 0.100 1.235 0.150) 1.248 10.684 ( 0.065 0.049 -0.039) 0.090 11.837 ( -0.032 -1.015 0.018) 1.015 12.075 ( -0.028 2.563 0.004) 2.563 12.316 ( 0.300 2.482 0.085) 2.501 12.780 ( -0.048 -4.239 0.153) 4.242 12.943 ( 0.463 0.364 -0.091) 0.596 13.312 ( -0.272 -1.837 -0.219) 1.870 ======================= Grid point 23 (17/201) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 18.874 -0.000) 18.874 1.549 ( 0.000 13.165 -0.000) 13.165 2.115 ( -0.000 -1.087 0.000) 1.087 2.154 ( 0.000 3.529 -0.000) 3.529 2.390 ( 0.000 14.233 -0.000) 14.233 2.865 ( 0.000 11.319 -0.000) 11.319 3.050 ( -0.000 -0.994 0.000) 0.994 3.400 ( -0.000 -0.860 0.000) 0.860 3.653 ( -0.000 -2.850 0.000) 2.850 3.893 ( -0.000 -15.093 0.000) 15.093 5.184 ( 0.000 1.029 -0.000) 1.029 5.322 ( 0.000 1.025 -0.000) 1.025 5.699 ( -0.000 -0.730 0.000) 0.730 5.795 ( 0.000 4.365 -0.000) 4.365 6.939 ( 0.000 0.664 -0.000) 0.664 7.238 ( 0.000 2.328 -0.000) 2.328 8.811 ( 0.000 1.135 -0.000) 1.135 10.687 ( -0.000 -0.331 0.000) 0.331 11.851 ( -0.000 -0.725 0.000) 0.725 12.052 ( 0.000 0.054 -0.000) 0.054 12.284 ( 0.000 1.404 -0.000) 1.404 12.833 ( -0.000 -2.210 0.000) 2.210 12.934 ( 0.000 1.005 -0.000) 1.005 13.335 ( -0.000 -1.066 0.000) 1.066 ======================= Grid point 28 (18/201) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 15.725 0.000 1.998) 15.852 1.709 ( 10.401 0.000 10.394) 14.705 2.154 ( 4.631 0.000 -4.722) 6.613 2.258 ( -9.434 -0.000 3.243) 9.976 2.361 ( -1.576 -0.000 -4.737) 4.992 2.749 ( 23.359 0.000 11.727) 26.138 3.033 ( 9.474 0.000 11.239) 14.700 3.397 ( -4.005 -0.000 -3.077) 5.050 3.613 ( -1.055 -0.000 -8.616) 8.681 3.952 ( -15.181 -0.000 -5.421) 16.120 4.980 ( 1.729 0.000 -0.455) 1.787 5.421 ( 2.061 0.000 -2.709) 3.404 5.718 ( 4.878 0.000 0.401) 4.894 5.816 ( -0.650 -0.000 0.241) 0.694 6.757 ( -0.338 -0.000 1.437) 1.476 7.406 ( 2.517 0.000 -0.373) 2.544 8.860 ( 0.682 0.000 1.022) 1.229 10.698 ( 0.015 0.000 -0.389) 0.389 11.792 ( -0.201 -0.000 0.051) 0.207 12.206 ( 0.179 0.000 0.049) 0.185 12.411 ( 1.665 0.000 0.546) 1.752 12.575 ( 1.296 0.000 0.381) 1.351 12.941 ( 0.566 0.000 -0.052) 0.568 13.245 ( -1.056 -0.000 -1.063) 1.499 ======================= Grid point 29 (19/201) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 8.758 -0.953 0.601) 8.830 1.868 ( 3.864 -4.505 5.763) 8.273 2.097 ( 2.969 4.606 -1.876) 5.792 2.238 ( -5.862 -0.413 1.608) 6.092 2.364 ( -1.501 -7.342 -2.996) 8.071 3.050 ( 20.872 0.390 10.883) 23.542 3.207 ( 6.006 -4.198 7.074) 10.185 3.309 ( -1.386 4.716 -3.509) 6.039 3.554 ( -2.929 0.807 -6.912) 7.550 3.727 ( -15.915 2.168 -5.133) 16.862 5.021 ( 0.848 -3.260 -0.164) 3.372 5.420 ( 1.050 1.096 -1.208) 1.940 5.721 ( 1.163 3.032 0.379) 3.270 5.845 ( 1.084 -2.353 -0.051) 2.591 6.787 ( -0.214 -3.220 0.766) 3.317 7.405 ( 1.230 2.450 -0.230) 2.751 8.864 ( 0.328 0.618 0.497) 0.858 10.694 ( 0.025 0.366 -0.182) 0.409 11.799 ( -0.125 -0.970 0.008) 0.978 12.184 ( 0.058 2.688 0.066) 2.689 12.405 ( 0.815 2.320 0.230) 2.469 12.624 ( 0.555 -3.958 0.178) 4.001 12.945 ( 0.335 -0.003 -0.045) 0.338 13.246 ( -0.560 -1.592 -0.523) 1.767 ======================= Grid point 30 (20/201) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 1.653 -0.000) 1.653 1.929 ( 0.000 2.267 -0.000) 2.267 2.103 ( 0.000 0.491 -0.000) 0.491 2.170 ( 0.000 0.957 -0.000) 0.957 2.486 ( -0.000 -6.452 0.000) 6.452 3.163 ( 0.000 7.004 -0.000) 7.004 3.209 ( 0.000 3.911 -0.000) 3.911 3.334 ( -0.000 -3.538 0.000) 3.538 3.516 ( -0.000 -2.943 0.000) 2.943 3.585 ( -0.000 -0.421 0.000) 0.421 5.092 ( -0.000 -4.519 0.000) 4.519 5.396 ( 0.000 2.111 -0.000) 2.111 5.687 ( 0.000 1.565 -0.000) 1.565 5.878 ( -0.000 -0.417 0.000) 0.417 6.854 ( -0.000 -4.482 0.000) 4.482 7.356 ( 0.000 4.003 -0.000) 4.003 8.852 ( 0.000 1.145 -0.000) 1.145 10.687 ( 0.000 0.344 -0.000) 0.344 11.818 ( -0.000 -1.252 0.000) 1.252 12.129 ( 0.000 3.715 -0.000) 3.715 12.365 ( 0.000 2.983 -0.000) 2.983 12.703 ( -0.000 -4.986 0.000) 4.986 12.947 ( -0.000 -0.012 0.000) 0.012 13.275 ( -0.000 -2.279 0.000) 2.279 ======================= Grid point 38 (21/201) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.263 ( -0.000 -0.000 -0.000) 0.000 3.229 ( 0.000 0.000 -0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.327 ( -0.000 -0.000 -0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.603 ( -0.000 -0.000 -0.000) 0.000 4.998 ( 0.000 0.000 -0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 0.000 0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 11.790 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 12.433 ( 0.000 0.000 0.000) 0.000 12.592 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 13.227 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (22/201) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -17.894 -0.000 25.729) 31.340 0.608 ( -5.566 -0.000 28.267) 28.810 0.934 ( 4.183 0.000 43.509) 43.709 1.939 ( 6.089 0.000 7.845) 9.931 2.345 ( -1.420 -0.000 -1.078) 1.783 2.708 ( -3.819 -0.000 -0.786) 3.900 2.839 ( 4.166 0.000 -5.556) 6.944 3.604 ( -0.891 -0.000 -6.612) 6.672 3.653 ( 19.666 0.000 -3.345) 19.948 4.094 ( -10.745 -0.000 -4.038) 11.479 4.917 ( -0.924 -0.000 0.232) 0.953 5.375 ( -0.598 -0.000 3.544) 3.594 5.465 ( -11.934 -0.000 -5.627) 13.194 5.896 ( -4.072 -0.000 1.949) 4.515 6.735 ( 1.350 0.000 -0.120) 1.355 7.147 ( 3.726 0.000 -6.735) 7.697 8.924 ( -4.634 -0.000 10.691) 11.652 10.717 ( -0.645 -0.000 0.608) 0.886 11.785 ( 0.708 0.000 -1.779) 1.915 12.117 ( 1.360 0.000 -6.171) 6.319 12.394 ( -2.958 -0.000 6.463) 7.108 12.469 ( 1.035 0.000 -1.798) 2.075 12.910 ( -0.156 -0.000 0.471) 0.496 13.339 ( -1.053 -0.000 0.377) 1.118 ======================= Grid point 68 (23/201) ======================= q-point: ( 0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 11.611 -13.419 12.432) 21.666 0.877 ( 1.835 -13.538 21.901) 25.812 1.399 ( 8.492 -20.318 34.047) 40.548 2.098 ( 8.878 -1.573 9.510) 13.105 2.284 ( -1.615 3.766 -1.559) 4.385 2.634 ( -5.169 1.517 -2.168) 5.807 2.885 ( 1.747 -4.621 -3.497) 6.053 3.641 ( 3.508 -2.776 -3.480) 5.668 3.820 ( -7.853 5.385 4.127) 10.378 3.925 ( 11.614 -2.355 -21.161) 24.253 4.987 ( -1.484 -6.811 0.174) 6.973 5.338 ( -4.437 0.909 -0.804) 4.600 5.426 ( 2.427 -2.882 2.685) 4.627 5.851 ( -2.345 1.890 0.296) 3.026 6.778 ( 1.063 -3.402 0.578) 3.611 7.155 ( 4.584 0.956 -6.047) 7.648 8.918 ( -3.619 0.766 10.863) 11.476 10.710 ( -0.654 0.252 0.595) 0.919 11.808 ( 0.291 -1.835 -3.008) 3.535 12.086 ( 2.498 2.295 -5.369) 6.350 12.386 ( -2.024 1.164 6.380) 6.794 12.578 ( 0.199 -9.507 -5.273) 10.873 12.909 ( 0.120 0.335 0.457) 0.579 13.335 ( -1.320 -0.917 0.227) 1.623 ======================= Grid point 69 (24/201) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 13.788 -15.972 6.378) 22.043 1.220 ( 7.362 -13.203 11.837) 19.200 1.976 ( 9.174 -19.931 20.822) 30.249 2.103 ( -2.177 6.046 -0.990) 6.502 2.293 ( 4.614 0.571 8.589) 9.767 2.553 ( -3.666 -0.063 -3.828) 5.300 3.006 ( 3.267 -7.558 -0.532) 8.251 3.519 ( -5.234 10.071 -2.695) 11.666 3.802 ( 2.282 -6.527 -7.068) 9.887 3.955 ( 2.184 3.136 -7.559) 8.470 5.078 ( -1.364 -5.946 1.588) 6.304 5.310 ( -0.004 0.004 -1.115) 1.115 5.530 ( 4.040 -4.388 -0.328) 5.974 5.789 ( -1.193 2.956 -0.649) 3.253 6.862 ( 0.365 -4.776 1.409) 4.992 7.163 ( 4.711 0.915 -5.907) 7.610 8.917 ( -3.009 0.807 9.522) 10.019 10.701 ( -0.686 0.240 0.804) 1.084 11.819 ( 0.197 -0.958 -2.572) 2.752 12.047 ( 2.753 2.963 -5.450) 6.787 12.371 ( -1.543 1.628 5.730) 6.154 12.699 ( -0.329 -7.761 -3.382) 8.472 12.906 ( 0.496 0.571 0.096) 0.762 13.340 ( -1.342 -1.161 0.564) 1.862 ======================= Grid point 70 (25/201) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.285 -8.194 9.411) 12.482 1.584 ( 11.128 -8.896 1.777) 14.357 1.991 ( 0.899 2.934 -2.521) 3.971 2.257 ( 1.967 -0.333 4.731) 5.135 2.317 ( -0.084 4.922 1.824) 5.250 2.656 ( 5.502 -11.443 3.445) 13.156 3.155 ( 4.435 -4.274 0.090) 6.160 3.346 ( -4.037 0.679 -2.762) 4.938 3.780 ( -8.929 6.727 -2.291) 11.412 3.918 ( 4.595 -1.729 -2.293) 5.419 5.165 ( -0.689 -4.687 1.977) 5.133 5.309 ( 0.852 0.354 -0.966) 1.336 5.637 ( 2.958 -4.365 -3.012) 6.072 5.735 ( 0.940 2.720 -0.985) 3.042 6.935 ( -0.439 -2.786 1.999) 3.457 7.172 ( 3.854 0.313 -6.048) 7.179 8.911 ( -2.997 0.838 8.238) 8.806 10.695 ( -0.628 0.085 1.121) 1.287 11.824 ( 0.437 -0.607 -1.987) 2.123 12.005 ( 2.506 2.270 -5.488) 6.446 12.355 ( -1.559 1.198 5.146) 5.509 12.790 ( -0.475 -4.941 -0.976) 5.059 12.902 ( 0.892 0.617 -0.640) 1.260 13.348 ( -1.102 -0.932 1.033) 1.775 ======================= Grid point 71 (26/201) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -7.391 1.825 3.985) 8.593 1.644 ( -2.355 5.803 -0.023) 6.263 2.004 ( 6.602 4.425 -2.070) 8.213 2.238 ( -1.276 2.150 1.654) 2.998 2.296 ( 2.725 -2.901 0.943) 4.090 2.789 ( 3.993 2.102 -4.561) 6.416 3.259 ( -1.049 -3.292 3.121) 4.656 3.342 ( -1.956 2.542 -0.308) 3.222 3.589 ( -4.076 -1.319 1.496) 4.538 3.974 ( 1.487 -1.743 -1.474) 2.724 5.212 ( -0.839 0.008 2.453) 2.592 5.313 ( 0.280 -1.043 -0.616) 1.243 5.698 ( 0.169 -3.017 -3.533) 4.649 5.715 ( 2.716 1.897 -1.065) 3.480 6.951 ( -0.509 1.228 1.768) 2.213 7.179 ( 2.197 -0.397 -6.149) 6.542 8.901 ( -3.296 0.540 7.581) 8.284 10.696 ( -0.494 -0.220 1.349) 1.453 11.830 ( 0.809 -0.211 -1.590) 1.796 11.986 ( 2.280 0.081 -5.578) 6.026 12.347 ( -2.038 0.174 4.918) 5.326 12.828 ( 0.539 0.373 -0.054) 0.658 12.905 ( 0.223 -0.774 -0.915) 1.220 13.355 ( -0.718 -0.410 1.404) 1.629 ======================= Grid point 72 (27/201) ======================= q-point: (-0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -11.302 10.141 4.890) 15.953 1.379 ( -7.937 16.471 -5.477) 19.087 1.967 ( 2.521 6.744 -0.905) 7.257 2.211 ( -0.846 0.343 2.046) 2.240 2.331 ( -5.443 3.579 5.893) 8.785 2.725 ( 1.125 5.723 1.193) 5.953 3.088 ( -4.802 9.248 -0.829) 10.453 3.394 ( 2.892 -4.735 0.603) 5.581 3.704 ( 0.170 -9.499 -7.896) 12.354 4.004 ( 2.864 0.145 0.421) 2.898 5.173 ( -1.112 4.072 2.795) 5.062 5.343 ( -0.738 -2.709 0.270) 2.821 5.667 ( -1.199 3.178 -3.184) 4.656 5.754 ( 1.060 -3.085 0.736) 3.344 6.905 ( -0.075 4.530 0.927) 4.624 7.176 ( 0.828 -0.778 -6.413) 6.512 8.893 ( -3.688 0.035 7.882) 8.702 10.703 ( -0.407 -0.458 1.360) 1.492 11.833 ( 1.268 0.226 -1.691) 2.125 12.002 ( 2.111 -2.152 -5.553) 6.318 12.350 ( -2.614 -0.894 5.079) 5.782 12.798 ( 2.307 4.378 -1.423) 5.150 12.915 ( -0.747 -0.818 -0.150) 1.118 13.358 ( -0.382 0.128 1.556) 1.607 ======================= Grid point 73 (28/201) ======================= q-point: (-0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -10.816 18.163 -1.400) 21.186 0.996 ( -11.851 15.443 11.515) 22.617 1.720 ( -11.684 21.255 8.932) 25.847 2.101 ( -7.703 9.654 4.841) 13.265 2.275 ( -0.858 -3.535 2.601) 4.472 2.698 ( 2.158 1.338 3.281) 4.149 2.941 ( 2.955 7.225 -4.423) 8.972 3.499 ( -0.551 -5.192 -2.119) 5.635 3.793 ( -2.916 -7.993 -3.463) 9.186 4.021 ( 8.534 3.168 -10.622) 13.989 5.099 ( -1.073 5.040 3.021) 5.973 5.386 ( -1.761 -3.621 1.785) 4.405 5.564 ( -4.140 3.654 -1.708) 5.780 5.827 ( 0.571 -3.462 2.708) 4.433 6.823 ( 0.404 5.481 0.067) 5.496 7.165 ( 0.358 -0.888 -6.978) 7.043 8.893 ( -3.992 -0.470 9.034) 9.888 10.712 ( -0.447 -0.442 1.123) 1.287 11.833 ( 1.659 0.715 -2.247) 2.883 12.044 ( 1.999 -3.077 -5.529) 6.636 12.364 ( -2.931 -1.454 5.644) 6.524 12.728 ( 3.979 6.837 -3.943) 8.838 12.914 ( -0.836 -0.249 0.155) 0.886 13.356 ( -0.296 0.445 1.431) 1.528 ======================= Grid point 74 (29/201) ======================= q-point: (-0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -14.702 8.543 16.677) 23.817 0.709 ( -7.570 13.322 23.747) 28.261 1.188 ( -18.890 28.461 25.429) 42.585 1.938 ( -1.347 5.917 3.891) 7.209 2.333 ( -0.922 -3.042 0.089) 3.180 2.722 ( -0.196 -0.687 1.311) 1.493 2.859 ( 4.928 5.231 -5.539) 9.073 3.529 ( 1.793 -1.351 -3.396) 4.071 3.795 ( 0.992 9.511 -2.098) 9.790 4.054 ( 2.008 -9.779 -14.379) 17.505 5.007 ( -0.496 6.549 0.779) 6.614 5.403 ( -2.798 1.467 2.911) 4.296 5.508 ( -5.929 -6.208 -2.462) 8.931 5.892 ( -1.624 -2.887 3.859) 5.086 6.752 ( 1.017 3.580 -0.362) 3.739 7.150 ( 1.066 -0.445 -7.454) 7.543 8.907 ( -4.162 -1.218 10.388) 11.257 10.717 ( -0.581 -0.297 0.813) 1.042 11.819 ( 1.692 2.101 -3.241) 4.217 12.090 ( 1.837 -3.049 -5.427) 6.490 12.383 ( -2.893 -1.242 6.277) 7.022 12.612 ( 4.127 10.474 -7.701) 13.640 12.910 ( -0.558 -0.136 0.313) 0.653 13.350 ( -0.520 0.488 0.954) 1.191 ======================= Grid point 76 (30/201) ======================= q-point: ( 0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 21.952 0.000 9.755) 24.022 0.903 ( 9.231 0.000 20.338) 22.335 1.537 ( 13.875 0.000 34.128) 36.841 2.263 ( 12.511 0.000 11.736) 17.154 2.318 ( 0.558 0.000 -1.782) 1.867 2.592 ( -4.630 -0.000 -2.518) 5.270 2.829 ( -0.705 -0.000 -2.233) 2.342 3.534 ( 1.357 0.000 -10.020) 10.112 3.763 ( -14.253 -0.000 3.493) 14.675 4.026 ( 14.594 0.000 -15.897) 21.580 4.916 ( 0.617 0.000 0.788) 1.001 5.313 ( -0.437 -0.000 -0.856) 0.961 5.455 ( 4.575 0.000 3.103) 5.528 5.848 ( -1.314 -0.000 -0.446) 1.388 6.761 ( 0.751 0.000 0.528) 0.918 7.194 ( 5.347 0.000 -5.795) 7.885 8.936 ( -3.510 -0.000 11.066) 11.609 10.708 ( -0.566 -0.000 0.522) 0.770 11.781 ( 0.559 0.000 -2.086) 2.159 12.111 ( 2.783 0.000 -5.224) 5.919 12.408 ( -1.273 -0.000 6.370) 6.496 12.488 ( 2.069 0.000 -1.510) 2.561 12.918 ( 0.330 0.000 0.761) 0.830 13.309 ( -1.677 -0.000 -0.105) 1.680 ======================= Grid point 77 (31/201) ======================= q-point: ( 0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 14.696 -7.108 10.773) 19.559 1.195 ( 19.648 -9.736 6.645) 22.913 1.899 ( 8.434 -10.032 20.190) 24.071 2.257 ( 4.266 6.956 2.113) 8.429 2.418 ( 6.223 1.060 10.316) 12.095 2.518 ( -2.806 2.009 -1.663) 3.831 2.910 ( 3.886 -8.064 1.095) 9.019 3.560 ( -10.209 4.592 -5.851) 12.631 3.605 ( -0.575 -7.317 -7.079) 10.197 4.041 ( 5.316 3.761 -9.483) 11.503 4.979 ( 0.352 -5.154 1.326) 5.334 5.317 ( 1.959 0.243 -0.988) 2.208 5.538 ( 5.394 -1.573 1.693) 5.868 5.817 ( -0.683 1.884 -0.628) 2.100 6.800 ( 0.318 -3.486 0.664) 3.563 7.215 ( 5.629 1.405 -5.821) 8.218 8.942 ( -3.123 0.763 10.143) 10.641 10.702 ( -0.510 0.266 0.726) 0.926 11.789 ( 0.369 -1.255 -2.494) 2.816 12.099 ( 2.997 2.304 -5.233) 6.456 12.411 ( -0.979 1.525 5.920) 6.192 12.565 ( 1.487 -6.399 -2.105) 6.898 12.922 ( 0.528 0.401 0.786) 1.028 13.302 ( -1.728 -1.338 0.064) 2.186 ======================= Grid point 78 (32/201) ======================= q-point: ( 0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 8.284 -4.444 6.766) 11.583 1.598 ( 18.461 -8.750 1.505) 20.484 2.002 ( -3.777 1.438 0.958) 4.154 2.325 ( 2.777 0.337 3.791) 4.712 2.442 ( 2.231 5.866 -1.940) 6.569 2.585 ( 10.246 -8.660 15.239) 20.303 3.122 ( 6.678 -7.311 1.695) 10.046 3.323 ( -7.180 6.024 -6.582) 11.453 3.676 ( -4.852 -5.286 -5.934) 9.311 3.955 ( -1.690 4.101 -3.058) 5.387 5.081 ( 0.179 -5.760 1.643) 5.992 5.330 ( 2.215 0.712 -0.696) 2.428 5.617 ( 3.778 -1.312 -0.912) 4.102 5.784 ( 1.409 1.846 -0.597) 2.398 6.874 ( -0.304 -4.665 1.110) 4.804 7.216 ( 5.015 2.199 -6.022) 8.140 8.936 ( -3.030 1.263 8.822) 9.413 10.697 ( -0.485 0.227 1.063) 1.190 11.803 ( 0.459 -1.235 -2.370) 2.712 12.057 ( 2.656 3.385 -5.290) 6.819 12.394 ( -1.056 2.202 5.321) 5.855 12.680 ( 0.606 -6.876 -1.567) 7.078 12.924 ( 0.828 0.648 0.473) 1.153 13.313 ( -1.477 -1.880 0.591) 2.462 ======================= Grid point 79 (33/201) ======================= q-point: ( 0.50 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 4.684 2.944 0.001) 5.532 1.743 ( 1.459 6.125 1.735) 6.531 2.053 ( 5.187 -5.481 2.146) 7.846 2.284 ( -2.690 3.977 0.350) 4.814 2.374 ( 5.784 4.811 -1.019) 7.592 2.852 ( 7.444 0.343 -0.065) 7.452 3.181 ( -0.645 -4.493 -0.800) 4.609 3.327 ( 3.595 -4.226 1.628) 5.782 3.576 ( -8.639 4.966 1.690) 10.107 3.907 ( -3.664 -3.353 -1.580) 5.212 5.174 ( -0.247 -4.330 1.891) 4.731 5.329 ( 1.412 1.581 -0.431) 2.163 5.654 ( 1.207 -1.306 -2.376) 2.968 5.778 ( 3.366 2.098 -1.748) 4.334 6.940 ( -0.710 -2.848 1.670) 3.377 7.198 ( 3.658 2.277 -6.161) 7.518 8.918 ( -3.128 1.364 7.823) 8.534 10.695 ( -0.445 0.007 1.306) 1.380 11.818 ( 0.657 -1.076 -1.930) 2.306 12.009 ( 2.355 2.585 -5.408) 6.440 12.369 ( -1.500 1.954 4.938) 5.518 12.778 ( -0.082 -5.096 -0.525) 5.123 12.922 ( 1.154 1.065 -0.236) 1.588 13.333 ( -1.052 -1.666 1.146) 2.279 ======================= Grid point 80 (34/201) ======================= q-point: (-0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 1.784 11.867 -2.112) 12.184 1.568 ( -3.275 13.772 1.331) 14.218 2.106 ( 2.960 5.500 -1.994) 6.556 2.205 ( -3.184 0.533 3.086) 4.466 2.404 ( 3.428 2.967 4.573) 6.439 2.809 ( 1.236 3.509 -6.497) 7.487 3.170 ( -6.006 7.947 5.970) 11.613 3.373 ( 1.537 -1.321 -0.838) 2.193 3.560 ( 2.491 -5.998 -2.590) 6.992 3.956 ( -2.394 -6.660 1.114) 7.165 5.217 ( -0.901 0.262 2.593) 2.758 5.316 ( 0.344 0.229 -0.447) 0.609 5.672 ( 0.493 -0.593 -3.611) 3.692 5.758 ( 1.991 2.218 -1.639) 3.401 6.957 ( -0.594 0.998 1.841) 2.177 7.170 ( 2.341 1.594 -6.261) 6.871 8.899 ( -3.262 0.897 7.643) 8.358 10.699 ( -0.429 -0.276 1.314) 1.410 11.833 ( 0.783 -0.674 -1.622) 1.923 11.984 ( 2.297 0.266 -5.577) 6.037 12.348 ( -2.051 0.876 4.935) 5.416 12.834 ( -0.082 -1.743 -0.047) 1.746 12.911 ( 1.129 1.235 -1.166) 2.040 13.352 ( -0.690 -0.963 1.473) 1.890 ======================= Grid point 81 (35/201) ======================= q-point: (-0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.935 19.083 -2.503) 19.269 1.281 ( -2.552 18.329 8.000) 20.161 1.977 ( -0.542 11.340 1.237) 11.420 2.218 ( -1.698 -2.695 2.336) 3.950 2.268 ( -5.794 15.123 11.166) 19.671 2.739 ( -1.609 2.274 -2.193) 3.545 3.042 ( 0.494 4.583 -0.278) 4.618 3.415 ( 1.058 -3.488 -1.766) 4.050 3.660 ( 2.576 -4.673 -3.276) 6.261 4.049 ( 1.636 -4.047 -4.161) 6.031 5.174 ( -1.225 4.125 2.709) 5.085 5.331 ( -0.807 -1.974 0.406) 2.171 5.608 ( -0.386 5.660 -4.013) 6.949 5.778 ( 0.092 -3.134 -0.107) 3.137 6.914 ( -0.200 4.430 1.605) 4.716 7.144 ( 1.917 0.658 -6.481) 6.790 8.890 ( -3.364 0.141 8.391) 9.041 10.705 ( -0.503 -0.402 1.091) 1.266 11.841 ( 0.838 -0.143 -1.927) 2.106 11.999 ( 2.314 -1.984 -5.596) 6.372 12.344 ( -2.345 -0.498 5.264) 5.784 12.825 ( 1.243 3.052 -1.985) 3.847 12.902 ( 0.065 -0.045 -0.957) 0.960 13.361 ( -0.572 -0.128 1.443) 1.558 ======================= Grid point 82 (36/201) ======================= q-point: (-0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 4.090 21.427 3.816) 22.145 1.025 ( -0.968 16.767 17.637) 24.354 1.682 ( -1.950 27.575 19.424) 33.785 2.072 ( 0.088 6.824 7.501) 10.141 2.256 ( -2.241 -3.517 -0.430) 4.193 2.683 ( -4.256 -0.349 -2.498) 4.947 2.968 ( 2.103 6.036 -2.478) 6.855 3.519 ( 5.338 -5.879 -0.922) 7.994 3.753 ( -0.344 -5.579 1.111) 5.698 4.038 ( 3.904 3.888 -16.023) 16.944 5.097 ( -1.394 4.964 1.986) 5.525 5.354 ( -2.997 -2.486 0.961) 4.010 5.486 ( -0.097 6.116 -1.713) 6.352 5.829 ( -1.745 -3.511 0.492) 3.951 6.838 ( 0.529 5.274 1.150) 5.423 7.135 ( 2.788 -0.143 -6.584) 7.152 8.898 ( -3.447 -0.500 9.685) 10.292 10.709 ( -0.634 -0.312 0.769) 1.044 11.836 ( 0.656 0.533 -2.762) 2.889 12.041 ( 2.397 -2.844 -5.544) 6.676 12.360 ( -2.311 -1.377 5.840) 6.430 12.743 ( 1.047 6.682 -5.825) 8.926 12.903 ( -0.184 -0.339 -0.105) 0.400 13.356 ( -0.766 0.536 0.993) 1.364 ======================= Grid point 85 (37/201) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 12.194 0.000 11.017) 16.434 1.415 ( 25.333 0.000 3.237) 25.539 1.974 ( 4.908 0.000 7.323) 8.815 2.350 ( -0.205 -0.000 -0.583) 0.618 2.474 ( -3.574 -0.000 4.651) 5.866 2.580 ( 7.631 0.000 11.089) 13.461 2.922 ( 9.981 0.000 6.683) 12.012 3.472 ( 1.911 0.000 -11.699) 11.854 3.506 ( -9.165 -0.000 -2.829) 9.592 4.055 ( -1.090 -0.000 -9.136) 9.201 4.956 ( 1.720 0.000 1.849) 2.526 5.345 ( 2.928 0.000 -0.375) 2.952 5.599 ( 6.086 0.000 1.623) 6.299 5.822 ( -0.596 -0.000 -0.853) 1.041 6.773 ( -0.036 -0.000 0.262) 0.264 7.264 ( 5.896 0.000 -6.032) 8.435 8.961 ( -3.228 -0.000 9.929) 10.441 10.704 ( -0.382 -0.000 0.780) 0.868 11.773 ( 0.599 0.000 -2.421) 2.494 12.129 ( 2.991 0.000 -5.067) 5.884 12.445 ( -0.531 -0.000 5.583) 5.608 12.526 ( 2.469 0.000 -1.391) 2.834 12.935 ( 0.452 0.000 1.085) 1.175 13.271 ( -1.706 -0.000 0.099) 1.708 ======================= Grid point 86 (38/201) ======================= q-point: ( 0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 10.417 -3.505 5.470) 12.277 1.722 ( 20.665 -4.285 3.048) 21.323 1.996 ( -1.292 1.745 -1.590) 2.691 2.314 ( -2.083 -0.429 -3.481) 4.080 2.449 ( -5.670 -2.160 2.223) 6.462 2.772 ( 16.083 0.559 16.726) 23.210 3.114 ( 9.054 -4.908 4.169) 11.111 3.321 ( -5.083 6.520 -7.622) 11.244 3.522 ( -1.019 -5.768 -5.268) 7.878 3.947 ( -7.561 2.771 -4.814) 9.382 5.016 ( 1.188 -3.704 2.058) 4.400 5.371 ( 2.878 0.778 0.270) 2.994 5.659 ( 4.357 0.924 0.065) 4.455 5.811 ( 0.747 0.218 -0.539) 0.946 6.802 ( -0.467 -3.543 0.047) 3.574 7.283 ( 5.476 1.913 -6.196) 8.487 8.961 ( -3.285 0.913 9.052) 9.673 10.701 ( -0.334 0.252 1.061) 1.141 11.778 ( 0.648 -1.051 -2.527) 2.812 12.115 ( 2.676 2.608 -5.099) 6.322 12.445 ( -0.732 1.989 5.139) 5.559 12.589 ( 1.843 -4.708 -1.481) 5.268 12.942 ( 0.447 0.299 1.077) 1.204 13.269 ( -1.407 -1.610 0.560) 2.210 ======================= Grid point 87 (39/201) ======================= q-point: ( 0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 7.185 0.364 -0.918) 7.253 1.887 ( 3.008 7.134 -1.840) 7.958 2.022 ( 7.187 -7.025 4.871) 11.169 2.276 ( -3.880 0.359 -2.499) 4.628 2.450 ( 0.533 -1.327 -1.653) 2.186 2.973 ( 6.518 4.516 -2.420) 8.291 3.150 ( 5.531 -1.054 0.655) 5.669 3.313 ( 4.431 -3.870 3.119) 6.659 3.550 ( -3.638 -0.409 2.553) 4.463 3.796 ( -10.535 0.143 -0.961) 10.579 5.105 ( 0.269 -4.749 1.808) 5.089 5.379 ( 2.049 1.921 0.567) 2.865 5.661 ( 1.479 1.408 -1.689) 2.650 5.828 ( 2.744 0.474 -1.089) 2.990 6.868 ( -0.871 -4.952 0.320) 5.038 7.264 ( 4.361 3.354 -6.049) 8.177 8.944 ( -3.323 1.501 8.081) 8.865 10.699 ( -0.372 0.248 1.337) 1.410 11.795 ( 0.756 -1.412 -2.350) 2.844 12.064 ( 2.330 3.699 -5.187) 6.784 12.416 ( -1.289 2.757 4.830) 5.709 12.686 ( 0.805 -5.755 -1.261) 5.946 12.945 ( 0.525 0.512 0.745) 1.045 13.293 ( -0.952 -2.288 1.148) 2.731 ======================= Grid point 88 (40/201) ======================= q-point: (-0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 5.177 6.330 -4.380) 9.277 1.758 ( 0.831 10.360 1.030) 10.444 2.164 ( 1.481 -0.470 0.070) 1.555 2.192 ( -5.905 1.811 2.453) 6.646 2.496 ( 5.283 -0.302 -0.485) 5.314 2.812 ( -1.680 4.961 -14.960) 15.851 3.300 ( -1.101 7.257 10.193) 12.561 3.353 ( 2.513 -3.056 -1.442) 4.211 3.553 ( 5.642 -1.118 3.945) 6.974 3.767 ( -8.508 -8.918 2.290) 12.536 5.183 ( -0.592 -3.781 1.825) 4.239 5.355 ( 0.917 3.029 0.287) 3.178 5.653 ( 0.848 -0.335 -2.670) 2.822 5.821 ( 2.096 2.971 -2.566) 4.450 6.933 ( -1.042 -3.473 0.932) 3.744 7.219 ( 3.225 3.665 -5.757) 7.549 8.918 ( -3.273 1.446 7.555) 8.359 10.698 ( -0.465 0.054 1.396) 1.472 11.816 ( 0.766 -1.297 -1.985) 2.491 12.010 ( 2.250 2.707 -5.314) 6.374 12.377 ( -1.844 2.427 4.739) 5.635 12.772 ( 0.030 -4.681 -0.852) 4.758 12.941 ( 0.609 1.050 0.060) 1.215 13.327 ( -0.595 -1.938 1.558) 2.557 ======================= Grid point 89 (41/201) ======================= q-point: (-0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 5.947 13.622 -3.743) 15.328 1.573 ( 0.551 15.171 6.006) 16.326 2.059 ( -4.917 3.132 -2.126) 6.205 2.189 ( -0.638 -0.073 2.536) 2.616 2.474 ( -2.935 7.299 4.516) 9.071 2.714 ( 0.399 0.671 -10.509) 10.538 3.139 ( -2.229 7.887 5.724) 9.997 3.402 ( 1.664 0.406 -0.047) 1.713 3.665 ( 7.048 -1.464 0.856) 7.249 3.890 ( -4.249 -11.355 0.331) 12.128 5.217 ( -1.235 0.323 2.489) 2.797 5.317 ( 0.190 1.407 -0.505) 1.507 5.659 ( 1.480 0.448 -3.723) 4.031 5.762 ( 0.215 3.015 -2.556) 3.959 6.956 ( -0.918 0.157 1.611) 1.861 7.171 ( 2.818 2.730 -5.770) 6.978 8.900 ( -3.142 0.721 7.752) 8.395 10.699 ( -0.589 -0.171 1.226) 1.371 11.832 ( 0.597 -0.733 -1.761) 1.999 11.984 ( 2.378 0.296 -5.512) 6.011 12.347 ( -2.091 1.065 4.915) 5.446 12.826 ( -0.207 -2.224 -0.587) 2.310 12.921 ( 0.532 1.899 -1.062) 2.240 13.353 ( -0.542 -0.953 1.602) 1.941 ======================= Grid point 90 (42/201) ======================= q-point: (-0.12 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 9.626 19.158 0.996) 21.464 1.354 ( 0.414 15.201 11.333) 18.965 1.993 ( 0.902 1.080 -0.054) 1.408 2.206 ( -0.305 0.298 1.985) 2.031 2.279 ( -3.370 13.695 12.329) 18.733 2.632 ( -2.556 3.046 -4.268) 5.833 3.074 ( 2.510 4.353 0.110) 5.026 3.428 ( -0.332 -4.564 -2.056) 5.016 3.767 ( 7.615 -0.841 0.617) 7.687 3.974 ( -3.892 -5.006 -6.543) 9.111 5.169 ( -1.282 4.389 2.257) 5.099 5.314 ( -0.549 -0.667 -0.549) 1.024 5.597 ( 2.625 6.394 -3.555) 7.773 5.755 ( -1.177 -2.988 -1.208) 3.431 6.925 ( -0.313 3.593 1.969) 4.109 7.146 ( 3.414 0.955 -6.032) 6.997 8.899 ( -3.024 -0.209 8.545) 9.067 10.701 ( -0.705 -0.246 0.974) 1.227 11.835 ( 0.379 0.076 -2.084) 2.119 12.001 ( 2.521 -2.003 -5.554) 6.420 12.345 ( -1.936 -0.615 5.277) 5.654 12.814 ( -0.334 3.528 -1.882) 4.013 12.897 ( 0.351 0.181 -1.116) 1.184 13.359 ( -0.814 0.175 1.239) 1.493 ======================= Grid point 94 (43/201) ======================= q-point: ( 0.38 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 10.190 0.000 3.312) 10.715 1.877 ( 7.091 0.000 6.319) 9.498 2.026 ( 9.331 0.000 -7.670) 12.079 2.267 ( -3.113 -0.000 -3.867) 4.964 2.329 ( -10.422 -0.000 3.207) 10.904 3.019 ( 15.040 0.000 10.165) 18.153 3.164 ( 4.464 0.000 -2.652) 5.193 3.346 ( -1.720 -0.000 -1.236) 2.118 3.451 ( 5.133 0.000 -2.347) 5.644 3.839 ( -12.694 -0.000 -2.736) 12.985 5.009 ( 1.012 0.000 2.572) 2.764 5.413 ( 2.645 0.000 1.345) 2.967 5.723 ( 4.158 0.000 0.153) 4.161 5.805 ( -0.307 -0.000 -0.753) 0.813 6.763 ( -0.622 -0.000 -0.750) 0.974 7.329 ( 5.104 0.000 -6.425) 8.205 8.972 ( -3.598 -0.000 8.752) 9.463 10.706 ( -0.266 -0.000 1.191) 1.220 11.765 ( 0.818 0.000 -2.573) 2.700 12.143 ( 2.455 0.000 -5.043) 5.609 12.479 ( -0.882 -0.000 4.766) 4.847 12.561 ( 1.829 0.000 -1.605) 2.433 12.953 ( 0.105 0.000 1.247) 1.252 13.245 ( -0.959 -0.000 0.965) 1.361 ======================= Grid point 95 (44/201) ======================= q-point: ( 0.50 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 5.873 0.438 -1.170) 6.005 1.907 ( -4.090 -1.797 -2.024) 4.904 2.106 ( 9.013 2.340 2.125) 9.552 2.222 ( -2.520 -0.190 -2.987) 3.912 2.334 ( -2.997 -8.449 0.761) 8.997 3.063 ( -0.481 6.566 -12.852) 14.440 3.195 ( 3.462 -3.917 -3.692) 6.400 3.374 ( 7.267 1.505 8.794) 11.507 3.549 ( 4.366 -1.736 5.099) 6.934 3.681 ( -11.850 1.211 1.898) 12.062 5.052 ( 0.051 -2.887 2.422) 3.769 5.434 ( 1.813 1.391 1.964) 3.013 5.711 ( 1.041 3.523 -1.101) 3.835 5.834 ( 1.268 -2.083 -0.570) 2.504 6.782 ( -0.797 -3.640 -1.051) 3.872 7.331 ( 4.056 2.272 -6.312) 7.839 8.963 ( -3.778 0.907 8.155) 9.034 10.706 ( -0.305 0.282 1.410) 1.470 11.772 ( 0.941 -1.043 -2.505) 2.873 12.121 ( 2.186 2.754 -5.137) 6.225 12.466 ( -1.508 2.257 4.508) 5.262 12.607 ( 1.009 -4.036 -1.686) 4.489 12.957 ( -0.105 0.143 1.159) 1.173 13.258 ( -0.423 -1.643 1.497) 2.262 ======================= Grid point 96 (45/201) ======================= q-point: (-0.38 -0.62 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.836 1.488 -4.014) 4.361 1.866 ( -1.527 0.529 -3.794) 4.123 2.139 ( -3.577 2.653 -1.631) 4.743 2.184 ( -0.943 -0.625 5.017) 5.143 2.471 ( 2.253 -6.225 -1.091) 6.709 2.842 ( -1.149 8.227 -17.996) 19.821 3.276 ( -1.774 -5.572 -3.075) 6.607 3.403 ( -7.112 -0.498 7.698) 10.492 3.620 ( 0.972 0.448 6.732) 6.817 3.650 ( 7.690 0.569 5.093) 9.241 5.118 ( -0.728 -4.098 1.980) 4.609 5.420 ( 0.683 3.047 1.644) 3.529 5.662 ( 0.371 1.927 -1.857) 2.702 5.858 ( 0.796 0.435 -1.604) 1.843 6.846 ( -0.914 -5.332 -0.612) 5.444 7.290 ( 2.859 3.725 -5.863) 7.512 8.939 ( -3.725 1.333 7.632) 8.597 10.703 ( -0.445 0.364 1.529) 1.633 11.793 ( 1.015 -1.443 -2.277) 2.881 12.064 ( 2.081 3.708 -5.202) 6.718 12.422 ( -2.129 2.912 4.535) 5.795 12.686 ( 0.361 -5.303 -1.594) 5.549 12.956 ( -0.236 0.325 0.878) 0.965 13.296 ( -0.103 -2.184 1.826) 2.848 ======================= Grid point 97 (46/201) ======================= q-point: (-0.25 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -0.130 2.570 -2.396) 3.516 1.821 ( 3.317 7.624 0.093) 8.315 1.980 ( -12.357 1.518 -0.720) 12.471 2.203 ( 0.132 0.172 1.469) 1.485 2.483 ( -5.268 3.000 -3.300) 6.902 2.715 ( 6.159 -0.001 -13.619) 14.947 3.249 ( -2.431 4.217 4.270) 6.475 3.425 ( -4.447 -4.497 2.973) 6.989 3.638 ( -3.208 -2.037 5.930) 7.043 3.785 ( 9.812 -1.824 1.300) 10.064 5.181 ( -1.082 -3.552 1.901) 4.172 5.369 ( -0.116 3.868 0.489) 3.901 5.649 ( 1.018 -0.452 -2.107) 2.384 5.818 ( 0.026 3.542 -2.952) 4.611 6.916 ( -0.970 -4.054 0.392) 4.186 7.228 ( 2.256 3.623 -5.502) 6.963 8.913 ( -3.472 1.030 7.449) 8.283 10.699 ( -0.584 0.231 1.450) 1.580 11.816 ( 0.907 -1.162 -1.944) 2.440 12.009 ( 2.178 2.595 -5.305) 6.294 12.374 ( -2.334 2.299 4.669) 5.704 12.765 ( 0.297 -4.554 -1.243) 4.730 12.946 ( -0.357 1.044 0.294) 1.142 13.335 ( -0.177 -1.592 1.826) 2.429 ======================= Grid point 98 (47/201) ======================= q-point: (-0.12 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 2.480 5.094 1.358) 5.826 1.617 ( -4.301 13.604 8.672) 16.696 1.939 ( 0.668 -3.518 -6.131) 7.100 2.216 ( 0.700 -0.815 2.578) 2.793 2.344 ( -5.630 2.461 -3.140) 6.900 2.730 ( 5.075 3.290 -4.555) 7.571 3.183 ( 2.130 5.333 3.695) 6.829 3.407 ( -1.626 2.791 0.344) 3.248 3.706 ( -7.488 -9.957 3.924) 13.062 3.896 ( 6.795 -0.203 -2.531) 7.254 5.212 ( -1.173 0.236 2.343) 2.630 5.315 ( 0.125 1.851 -0.669) 1.972 5.672 ( 2.592 -0.714 -2.938) 3.982 5.732 ( -0.513 3.934 -2.705) 4.802 6.951 ( -0.825 -0.753 1.556) 1.915 7.180 ( 2.663 2.156 -5.678) 6.632 8.902 ( -3.178 0.119 7.688) 8.320 10.697 ( -0.652 0.043 1.262) 1.421 11.829 ( 0.625 -0.353 -1.728) 1.871 11.986 ( 2.361 0.152 -5.513) 5.999 12.347 ( -2.078 0.631 4.898) 5.358 12.820 ( 0.277 -1.827 -0.570) 1.934 12.915 ( -0.217 1.990 -0.823) 2.164 13.355 ( -0.574 -0.389 1.530) 1.680 ======================= Grid point 103 (48/201) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.317 -0.000 -1.798) 1.826 1.794 ( -8.000 -0.000 -6.938) 10.589 2.162 ( -4.889 -0.000 2.931) 5.700 2.200 ( -0.383 -0.000 -0.190) 0.428 2.287 ( 10.197 0.000 1.121) 10.258 3.052 ( -5.180 -0.000 -12.213) 13.266 3.074 ( -8.078 -0.000 -9.465) 12.443 3.452 ( -5.011 -0.000 6.848) 8.486 3.617 ( 5.617 0.000 4.721) 7.337 3.687 ( 9.105 0.000 5.790) 10.790 5.035 ( -0.910 -0.000 2.694) 2.843 5.474 ( 1.037 0.000 3.192) 3.357 5.768 ( -0.061 -0.000 -0.544) 0.547 5.796 ( 0.060 0.000 -0.629) 0.632 6.736 ( -0.567 -0.000 -1.984) 2.064 7.360 ( 3.022 0.000 -6.435) 7.109 8.964 ( -4.191 -0.000 8.028) 9.056 10.712 ( -0.296 -0.000 1.519) 1.547 11.762 ( 1.080 0.000 -2.445) 2.673 12.144 ( 2.007 0.000 -5.212) 5.585 12.488 ( -2.192 -0.000 4.326) 4.849 12.570 ( 0.433 0.000 -2.022) 2.068 12.960 ( -0.520 -0.000 1.163) 1.274 13.250 ( 0.208 0.000 1.972) 1.983 ======================= Grid point 104 (49/201) ======================= q-point: (-0.38 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -8.350 -0.701 -7.557) 11.284 1.719 ( -10.193 -4.610 -4.461) 12.044 2.172 ( -1.748 0.436 4.553) 4.896 2.193 ( 3.356 1.237 -1.889) 4.045 2.415 ( 5.007 -3.779 1.770) 6.518 2.809 ( -13.020 4.634 -11.922) 18.252 3.043 ( -10.644 -9.891 -5.644) 15.588 3.403 ( -1.371 4.265 5.576) 7.153 3.697 ( 3.590 -0.765 4.952) 6.164 3.815 ( 12.602 2.790 2.027) 13.065 5.057 ( -1.607 -2.849 2.481) 4.105 5.479 ( 0.086 2.166 3.339) 3.981 5.702 ( -0.910 3.566 -0.736) 3.753 5.835 ( -0.738 -2.349 -0.605) 2.535 6.754 ( -0.352 -3.783 -2.056) 4.320 7.338 ( 1.774 2.229 -6.207) 6.830 8.947 ( -4.304 0.704 7.828) 8.961 10.713 ( -0.395 0.382 1.609) 1.700 11.773 ( 1.209 -1.071 -2.280) 2.794 12.117 ( 1.918 2.718 -5.304) 6.261 12.459 ( -2.813 2.138 4.376) 5.624 12.599 ( -0.048 -4.157 -2.046) 4.634 12.957 ( -0.777 0.019 1.047) 1.304 13.277 ( 0.527 -1.370 2.202) 2.646 ======================= Grid point 105 (50/201) ======================= q-point: (-0.25 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -9.727 -4.664 -6.166) 12.425 1.692 ( -10.588 -8.818 -5.663) 14.897 2.047 ( -5.515 10.947 4.821) 13.172 2.215 ( 1.535 0.260 -1.368) 2.073 2.477 ( -1.882 1.771 -1.548) 3.013 2.643 ( -4.447 -5.600 -7.602) 10.437 3.122 ( -9.517 -14.492 -1.635) 17.414 3.343 ( 1.526 5.776 4.632) 7.560 3.753 ( 4.626 3.190 4.559) 7.236 3.877 ( 7.617 1.918 -1.388) 7.976 5.111 ( -1.568 -4.253 2.331) 5.097 5.432 ( -0.920 4.066 1.510) 4.434 5.657 ( 0.106 0.959 0.018) 0.965 5.832 ( -1.600 0.576 -1.470) 2.248 6.824 ( -0.267 -5.578 -1.121) 5.696 7.278 ( 0.973 3.216 -5.909) 6.798 8.923 ( -4.080 0.892 7.640) 8.707 10.707 ( -0.525 0.527 1.601) 1.766 11.798 ( 1.331 -1.340 -2.052) 2.789 12.060 ( 1.945 3.521 -5.323) 6.672 12.408 ( -2.980 2.524 4.645) 6.069 12.677 ( 0.479 -5.800 -1.855) 6.109 12.951 ( -0.953 0.226 0.856) 1.301 13.318 ( 0.360 -1.597 2.066) 2.636 ======================= Grid point 106 (51/201) ======================= q-point: (-0.12 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -10.804 -6.138 1.237) 12.487 1.666 ( -13.144 -3.668 -4.533) 14.379 1.891 ( 3.590 1.713 0.404) 3.998 2.217 ( -0.208 -0.376 0.956) 1.048 2.375 ( -1.570 5.233 -1.774) 5.744 2.719 ( 1.741 -5.627 -5.442) 8.019 3.255 ( -10.012 -13.312 1.384) 16.714 3.300 ( 3.140 4.295 3.037) 6.126 3.696 ( 2.983 9.446 1.216) 9.981 3.943 ( 4.254 -1.689 -0.871) 4.659 5.175 ( -1.189 -3.769 2.309) 4.577 5.360 ( -0.818 3.599 0.130) 3.694 5.668 ( 1.719 -0.960 -0.480) 2.027 5.774 ( -1.422 2.968 -2.566) 4.173 6.903 ( -0.418 -4.387 0.431) 4.428 7.213 ( 1.117 2.420 -5.865) 6.442 8.904 ( -3.682 0.419 7.522) 8.385 10.700 ( -0.537 0.406 1.481) 1.627 11.822 ( 1.175 -0.763 -1.752) 2.244 12.007 ( 2.093 2.374 -5.423) 6.279 12.363 ( -2.636 1.642 4.812) 5.727 12.769 ( 1.276 -4.766 -1.272) 5.095 12.934 ( -0.936 1.073 0.299) 1.455 13.349 ( -0.155 -0.835 1.744) 1.940 ======================= Grid point 112 (52/201) ======================= q-point: (-0.38 -0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -15.108 -0.000 -12.746) 19.766 1.525 ( -16.476 -0.000 0.295) 16.479 2.194 ( 4.553 0.000 -2.927) 5.413 2.238 ( 0.550 0.000 3.711) 3.752 2.453 ( 2.438 0.000 3.737) 4.462 2.610 ( -24.487 -0.000 -1.375) 24.525 2.790 ( -7.853 -0.000 -10.579) 13.175 3.488 ( 3.360 0.000 5.463) 6.414 3.728 ( 1.764 0.000 2.156) 2.786 3.980 ( 12.551 0.000 -3.364) 12.994 5.020 ( -2.498 -0.000 2.359) 3.435 5.517 ( -0.283 -0.000 4.923) 4.932 5.710 ( -4.814 -0.000 -0.224) 4.820 5.801 ( 0.755 0.000 0.094) 0.761 6.709 ( 0.191 0.000 -2.738) 2.744 7.340 ( 0.528 0.000 -6.259) 6.281 8.940 ( -4.625 -0.000 8.091) 9.320 10.719 ( -0.390 -0.000 1.610) 1.656 11.767 ( 1.221 0.000 -2.125) 2.451 12.137 ( 1.889 0.000 -5.413) 5.733 12.464 ( -3.598 -0.000 4.521) 5.778 12.546 ( -0.662 -0.000 -2.280) 2.374 12.952 ( -1.035 -0.000 0.909) 1.378 13.284 ( 0.878 0.000 2.409) 2.564 ======================= Grid point 113 (53/201) ======================= q-point: (-0.25 -0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -16.530 -6.773 -11.558) 21.277 1.393 ( -18.205 -6.889 0.941) 19.487 2.135 ( -15.102 6.273 4.030) 16.842 2.214 ( 0.472 -0.417 -4.602) 4.645 2.380 ( -13.148 -3.563 1.321) 13.686 2.524 ( 3.372 -0.828 3.451) 4.896 2.802 ( -3.932 -12.030 -6.363) 14.166 3.505 ( 4.235 5.541 4.536) 8.319 3.782 ( 1.756 -3.930 1.472) 4.549 4.023 ( 8.719 6.276 -7.920) 13.347 5.034 ( -2.339 -3.648 2.439) 4.973 5.498 ( -1.233 4.115 3.323) 5.431 5.653 ( -4.011 -0.411 1.370) 4.259 5.815 ( -0.289 -0.042 0.551) 0.624 6.736 ( 0.596 -3.970 -2.322) 4.638 7.296 ( -0.296 1.864 -6.208) 6.488 8.924 ( -4.534 0.483 8.269) 9.443 10.718 ( -0.482 0.484 1.568) 1.710 11.783 ( 1.450 -1.270 -1.977) 2.761 12.109 ( 1.857 2.692 -5.454) 6.360 12.428 ( -3.708 1.646 4.913) 6.372 12.576 ( -0.032 -5.298 -2.259) 5.760 12.944 ( -1.168 -0.027 0.796) 1.414 13.313 ( 0.724 -0.905 2.220) 2.504 ======================= Grid point 114 (54/201) ======================= q-point: (-0.12 -0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -14.081 -13.345 -4.409) 19.895 1.342 ( -17.972 -9.619 -0.837) 20.401 1.926 ( -9.199 -0.134 0.893) 9.243 2.204 ( -1.566 -1.020 -0.328) 1.897 2.339 ( -8.970 -3.217 3.847) 10.277 2.613 ( 1.308 -4.519 3.764) 6.026 2.959 ( -1.913 -12.203 -4.508) 13.149 3.455 ( 3.975 7.474 2.547) 8.840 3.893 ( 7.458 6.764 -6.591) 12.034 3.914 ( -0.654 -2.080 -2.459) 3.286 5.099 ( -1.573 -4.884 2.918) 5.903 5.412 ( -1.730 4.408 1.012) 4.842 5.648 ( -2.373 -2.028 0.779) 3.218 5.795 ( -0.352 2.207 0.764) 2.362 6.817 ( 0.449 -5.607 -0.867) 5.691 7.228 ( -0.205 2.178 -6.351) 6.717 8.904 ( -4.194 0.541 8.161) 9.192 10.710 ( -0.485 0.566 1.483) 1.660 11.814 ( 1.702 -1.161 -1.886) 2.793 12.052 ( 1.892 3.310 -5.461) 6.660 12.383 ( -3.269 1.869 5.142) 6.373 12.684 ( 2.104 -6.905 -2.138) 7.529 12.933 ( -1.187 0.213 0.583) 1.340 13.343 ( 0.189 -0.868 1.826) 2.030 ======================= Grid point 121 (55/201) ======================= q-point: (-0.25 -0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -20.335 -0.000 -8.991) 22.234 1.116 ( -22.384 -0.000 5.064) 22.950 1.876 ( -36.965 -0.000 11.181) 38.619 2.145 ( -6.468 -0.000 -7.305) 9.757 2.343 ( 0.752 0.000 1.432) 1.618 2.598 ( 4.471 0.000 3.121) 5.453 2.647 ( 3.548 0.000 -5.728) 6.738 3.607 ( 1.967 0.000 3.741) 4.226 3.740 ( -0.884 -0.000 -0.969) 1.312 4.147 ( 9.800 0.000 -11.760) 15.308 4.980 ( -2.681 -0.000 1.716) 3.183 5.564 ( 0.652 0.000 5.379) 5.418 5.571 ( -7.660 -0.000 0.859) 7.708 5.832 ( 1.019 0.000 2.475) 2.677 6.699 ( 1.066 0.000 -2.478) 2.697 7.275 ( -1.034 -0.000 -6.308) 6.393 8.918 ( -4.490 -0.000 9.045) 10.098 10.724 ( -0.486 -0.000 1.407) 1.489 11.775 ( 1.164 0.000 -1.810) 2.152 12.130 ( 2.053 0.000 -5.485) 5.856 12.423 ( -4.021 -0.000 5.425) 6.753 12.508 ( -0.798 -0.000 -2.273) 2.409 12.934 ( -1.147 -0.000 0.627) 1.307 13.323 ( 0.654 0.000 2.076) 2.176 ======================= Grid point 122 (56/201) ======================= q-point: (-0.12 -0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -17.160 -12.663 -0.611) 21.335 0.986 ( -21.942 -8.747 7.559) 24.801 1.614 ( -31.210 -10.977 11.991) 35.190 2.068 ( -8.918 -4.807 -2.628) 10.466 2.323 ( 0.029 3.195 2.336) 3.958 2.638 ( 3.833 0.349 4.037) 5.578 2.785 ( 5.601 -8.713 -6.167) 12.055 3.588 ( -0.181 3.934 0.063) 3.939 3.803 ( 0.202 -8.137 -1.165) 8.223 4.076 ( 6.591 11.174 -14.175) 19.215 5.012 ( -1.542 -5.115 2.272) 5.805 5.469 ( -3.997 3.601 1.862) 5.693 5.584 ( -2.999 0.007 2.139) 3.683 5.845 ( 0.882 1.676 4.220) 4.625 6.738 ( 1.188 -4.023 -1.657) 4.511 7.221 ( -0.893 1.348 -6.804) 6.994 8.907 ( -4.293 0.642 9.349) 10.307 10.720 ( -0.536 0.463 1.266) 1.450 11.800 ( 1.839 -1.838 -2.025) 3.296 12.099 ( 1.875 2.886 -5.459) 6.453 12.397 ( -3.552 1.220 5.842) 6.945 12.572 ( 2.257 -8.087 -2.935) 8.894 12.925 ( -1.067 0.025 0.499) 1.178 13.341 ( 0.202 -0.509 1.673) 1.760 ======================= Grid point 130 (57/201) ======================= q-point: (-0.12 -0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -14.186 -0.000 20.374) 24.826 0.715 ( -21.713 -0.000 16.919) 27.526 1.168 ( -40.092 -0.000 21.070) 45.292 1.921 ( -6.592 -0.000 -1.396) 6.738 2.364 ( -0.127 -0.000 0.993) 1.001 2.706 ( 2.490 0.000 2.801) 3.747 2.749 ( 8.270 0.000 -5.856) 10.134 3.581 ( -3.491 -0.000 -5.129) 6.204 3.685 ( -1.922 -0.000 -3.717) 4.185 4.214 ( 5.628 0.000 -11.454) 12.762 4.942 ( -1.812 -0.000 0.827) 1.991 5.426 ( -6.269 -0.000 2.398) 6.712 5.631 ( 2.609 0.000 -3.215) 4.141 5.898 ( 0.931 0.000 7.265) 7.325 6.710 ( 1.497 0.000 -1.363) 2.024 7.191 ( -0.708 -0.000 -7.633) 7.666 8.917 ( -3.579 -0.000 10.089) 10.705 10.723 ( -0.591 -0.000 0.989) 1.152 11.782 ( 0.954 0.000 -1.671) 1.924 12.129 ( 2.607 0.000 -5.788) 6.348 12.400 ( -3.051 -0.000 6.478) 7.160 12.477 ( -0.091 -0.000 -2.086) 2.088 12.917 ( -0.823 -0.000 0.413) 0.921 13.344 ( -0.145 -0.000 1.251) 1.259 ======================= Grid point 131 (58/201) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -17.547 -0.000 23.121) 29.026 1.162 ( -5.026 -0.000 24.325) 24.839 1.785 ( 2.574 0.000 37.044) 37.133 2.158 ( 8.553 0.000 12.265) 14.953 2.314 ( -2.620 -0.000 -1.695) 3.121 2.652 ( 8.132 0.000 -12.637) 15.027 2.689 ( -5.784 -0.000 -0.893) 5.853 3.442 ( -2.205 -0.000 -7.604) 7.917 3.517 ( 13.744 0.000 -10.052) 17.028 3.991 ( -3.600 -0.000 -5.329) 6.431 4.910 ( 0.153 0.000 -1.293) 1.302 5.350 ( -3.618 -0.000 -4.686) 5.920 5.467 ( -0.885 -0.000 4.859) 4.939 5.918 ( -5.205 -0.000 0.163) 5.207 6.741 ( 1.385 0.000 0.881) 1.642 7.006 ( 4.493 0.000 -6.045) 7.532 9.175 ( -4.558 -0.000 12.068) 12.900 10.746 ( -1.482 -0.000 2.464) 2.875 11.731 ( 0.883 0.000 -3.257) 3.375 11.983 ( 2.696 0.000 -6.767) 7.285 12.424 ( 1.570 0.000 -2.294) 2.780 12.527 ( -2.447 -0.000 6.105) 6.577 12.929 ( -0.196 -0.000 1.495) 1.508 13.345 ( -1.397 -0.000 0.100) 1.400 ======================= Grid point 132 (59/201) ======================= q-point: ( 0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -2.251 -3.138 18.687) 19.082 1.327 ( -3.220 -9.121 20.172) 22.371 2.067 ( 3.507 -9.435 25.995) 27.876 2.212 ( -0.120 6.768 -0.576) 6.793 2.370 ( 8.356 -4.230 12.515) 15.631 2.568 ( -3.951 4.327 -5.024) 7.718 2.779 ( 5.491 -8.699 -5.353) 11.596 3.484 ( -0.993 -9.768 -9.282) 13.511 3.541 ( 6.690 6.587 -15.184) 17.852 3.906 ( -0.445 1.633 2.151) 2.737 4.964 ( 0.894 -5.652 -2.507) 6.248 5.295 ( -1.189 0.896 -2.154) 2.619 5.504 ( 1.129 -1.172 4.292) 4.591 5.852 ( -3.155 2.326 -0.049) 3.920 6.793 ( 0.901 -4.112 0.862) 4.297 7.023 ( 4.763 0.771 -5.974) 7.679 9.166 ( -4.446 1.558 11.724) 12.635 10.740 ( -1.344 0.171 2.549) 2.887 11.736 ( 0.895 -1.107 -3.911) 4.162 11.964 ( 3.028 2.270 -6.439) 7.469 12.496 ( 1.813 -6.795 -2.654) 7.517 12.517 ( -2.045 1.188 5.754) 6.221 12.930 ( 0.070 0.772 1.606) 1.784 13.342 ( -1.558 -1.448 0.317) 2.150 ======================= Grid point 133 (60/201) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 10.717 -11.183 7.930) 17.401 1.518 ( -3.539 -8.324 13.667) 16.389 2.075 ( -2.127 5.867 -1.103) 6.338 2.310 ( 4.041 -2.002 9.021) 10.086 2.413 ( -3.776 5.856 -6.412) 9.469 2.617 ( 6.050 -7.455 17.288) 19.775 2.978 ( 5.984 -8.389 -2.019) 10.500 3.347 ( -2.941 5.896 -10.379) 12.294 3.633 ( 2.124 -9.583 -6.423) 11.730 3.930 ( 1.328 0.383 1.749) 2.229 5.065 ( 1.413 -6.500 -3.307) 7.429 5.279 ( 1.167 0.400 -1.287) 1.783 5.552 ( 1.846 -0.691 2.313) 3.039 5.780 ( -1.047 3.490 0.000) 3.644 6.889 ( 0.228 -5.929 0.856) 5.995 7.029 ( 4.426 1.186 -6.066) 7.602 9.140 ( -4.200 2.068 10.792) 11.763 10.736 ( -1.182 0.130 2.610) 2.868 11.748 ( 1.014 -1.370 -4.094) 4.435 11.921 ( 3.179 3.341 -6.634) 8.080 12.492 ( -1.727 2.039 5.689) 6.285 12.638 ( 1.052 -8.948 -2.301) 9.299 12.919 ( 0.442 1.647 1.262) 2.121 13.358 ( -1.560 -2.022 1.055) 2.763 ======================= Grid point 134 (61/201) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 4.551 -4.931 0.363) 6.720 1.633 ( -1.271 -8.986 7.514) 11.782 1.992 ( 2.174 3.568 2.690) 4.969 2.202 ( -0.964 8.060 -9.467) 12.471 2.379 ( 0.391 1.848 5.417) 5.737 2.779 ( 3.014 2.378 3.886) 5.462 3.142 ( 2.294 -8.607 0.417) 8.918 3.295 ( 0.617 -3.070 -1.350) 3.410 3.756 ( -2.888 -5.198 -0.039) 5.947 3.904 ( 0.416 2.722 1.306) 3.048 5.169 ( 1.612 -5.643 -3.115) 6.644 5.285 ( 1.568 0.320 -0.867) 1.820 5.588 ( 1.405 -1.181 -0.642) 1.944 5.722 ( 0.882 3.268 -0.112) 3.387 6.980 ( -0.655 -4.237 1.403) 4.511 7.024 ( 3.951 1.362 -6.798) 7.980 9.110 ( -4.115 1.657 9.947) 10.892 10.735 ( -1.064 -0.019 2.650) 2.856 11.766 ( 1.141 -1.529 -3.550) 4.031 11.870 ( 3.244 2.917 -7.257) 8.467 12.470 ( -1.845 1.399 5.545) 6.009 12.772 ( -0.064 -7.201 -0.740) 7.240 12.896 ( 1.007 2.559 0.277) 2.764 13.379 ( -1.394 -1.650 1.901) 2.878 ======================= Grid point 135 (62/201) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -9.479 4.030 -1.564) 10.418 1.694 ( -5.025 6.027 6.440) 10.152 2.006 ( 5.064 4.162 0.841) 6.609 2.183 ( 7.081 -7.259 -4.906) 11.265 2.359 ( 0.858 2.927 4.487) 5.425 2.732 ( 0.636 3.316 -1.606) 3.739 3.280 ( -1.436 -4.000 -1.139) 4.400 3.335 ( 2.576 0.517 0.331) 2.648 3.659 ( -9.582 5.593 5.145) 12.230 3.956 ( 3.243 -3.198 -0.201) 4.559 5.226 ( 1.540 0.052 -2.910) 3.293 5.302 ( 0.327 -2.012 -0.226) 2.051 5.609 ( 0.499 -0.413 -2.728) 2.804 5.708 ( 1.271 -0.935 -0.222) 1.593 6.994 ( 0.738 2.659 -0.092) 2.761 7.028 ( 1.297 -1.227 -5.426) 5.712 9.092 ( -4.201 0.456 9.812) 10.683 10.738 ( -1.032 -0.262 2.630) 2.838 11.783 ( 1.336 -0.180 -2.779) 3.089 11.844 ( 3.199 -0.190 -7.862) 8.490 12.459 ( -2.273 0.174 5.529) 5.981 12.831 ( 0.823 2.454 0.393) 2.618 12.883 ( -0.272 -2.372 -1.062) 2.613 13.395 ( -1.098 -0.721 2.403) 2.739 ======================= Grid point 136 (63/201) ======================= q-point: (-0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -9.955 8.659 2.140) 13.366 1.522 ( -9.001 9.088 12.273) 17.727 1.985 ( 1.885 4.320 2.186) 5.196 2.274 ( -0.724 0.287 3.481) 3.567 2.409 ( 4.817 -0.283 0.937) 4.915 2.701 ( 0.242 -0.052 -2.712) 2.723 3.135 ( -5.745 14.003 4.874) 15.902 3.379 ( -0.488 -3.223 -2.658) 4.206 3.557 ( -1.296 -1.708 -4.264) 4.773 3.997 ( 1.939 2.347 -0.956) 3.191 5.187 ( 0.796 4.081 -2.626) 4.917 5.343 ( -0.034 -2.894 -0.962) 3.050 5.581 ( -1.550 1.313 -2.883) 3.526 5.779 ( 0.099 -5.964 1.083) 6.062 6.935 ( 0.496 5.513 0.681) 5.577 7.021 ( 0.964 -0.067 -6.386) 6.458 9.096 ( -4.355 -0.912 10.467) 11.374 10.744 ( -1.131 -0.413 2.528) 2.800 11.776 ( 2.003 0.926 -3.807) 4.400 11.872 ( 2.503 -2.925 -6.602) 7.642 12.465 ( -2.699 -1.105 5.625) 6.336 12.759 ( 2.049 6.936 -1.878) 7.473 12.912 ( -1.414 -1.955 -0.042) 2.413 13.399 ( -0.833 0.284 2.290) 2.453 ======================= Grid point 137 (64/201) ======================= q-point: (-0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -11.333 3.850 14.258) 18.616 1.341 ( -7.904 9.584 18.990) 22.692 1.914 ( -1.348 8.142 9.414) 12.520 2.258 ( -2.018 5.365 5.952) 8.263 2.351 ( -6.157 5.005 6.910) 10.522 2.697 ( 0.370 -0.457 -5.407) 5.439 2.884 ( -0.026 12.082 1.829) 12.220 3.388 ( -0.228 -2.172 -7.768) 8.069 3.643 ( 4.791 -7.431 -9.370) 12.883 3.912 ( 0.393 7.179 -1.104) 7.274 5.097 ( 0.447 6.005 -3.245) 6.840 5.386 ( -0.552 -3.472 -3.436) 4.915 5.519 ( -3.443 1.563 0.303) 3.793 5.886 ( -1.914 -6.639 1.862) 7.156 6.840 ( 0.644 6.775 1.200) 6.910 7.002 ( 1.313 0.008 -7.062) 7.183 9.120 ( -4.470 -1.727 11.480) 12.440 10.748 ( -1.330 -0.367 2.434) 2.798 11.765 ( 1.882 0.938 -4.005) 4.524 11.921 ( 2.301 -3.228 -6.280) 7.426 12.486 ( -2.835 -1.831 5.793) 6.704 12.638 ( 2.180 8.938 -3.892) 9.990 12.920 ( -1.195 -0.848 0.499) 1.548 13.389 ( -0.773 0.978 1.540) 1.982 ======================= Grid point 138 (65/201) ======================= q-point: (-0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -14.411 -3.116 22.380) 26.801 1.237 ( -6.204 6.880 23.946) 25.675 1.772 ( -5.505 13.226 27.992) 31.445 2.110 ( -0.205 8.206 12.731) 15.148 2.322 ( -3.054 -2.582 -1.148) 4.160 2.663 ( 4.222 2.713 -10.102) 11.280 2.760 ( -1.484 3.639 -0.634) 3.981 3.415 ( 7.181 -1.373 -7.551) 10.511 3.602 ( 0.435 9.097 -11.344) 14.547 3.937 ( 0.789 -8.731 -2.743) 9.186 4.980 ( 0.125 6.259 -2.962) 6.926 5.392 ( -2.967 -2.303 -6.221) 7.267 5.478 ( -2.416 0.905 3.985) 4.748 5.945 ( -4.777 -3.735 0.827) 6.120 6.759 ( 1.243 4.471 1.053) 4.759 6.992 ( 2.741 -0.090 -6.498) 7.053 9.154 ( -4.489 -1.586 12.094) 12.997 10.749 ( -1.490 -0.253 2.430) 2.861 11.747 ( 1.266 1.160 -3.594) 3.983 11.965 ( 2.435 -2.371 -6.602) 7.426 12.489 ( 0.941 6.319 -2.316) 6.796 12.518 ( -2.095 0.022 4.455) 4.924 12.924 ( -0.651 -0.461 1.064) 1.330 13.367 ( -1.021 1.028 0.565) 1.556 ======================= Grid point 140 (66/201) ======================= q-point: ( 0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 5.332 0.000 15.188) 16.097 1.325 ( 1.142 0.000 18.865) 18.899 2.084 ( -2.454 -0.000 11.677) 11.932 2.337 ( 3.416 0.000 5.532) 6.502 2.467 ( 7.740 0.000 4.095) 8.757 2.607 ( 0.469 0.000 7.474) 7.489 2.736 ( 10.143 0.000 -4.441) 11.072 3.339 ( -1.067 -0.000 -6.627) 6.712 3.563 ( -0.749 -0.000 -17.846) 17.862 3.933 ( 2.237 0.000 2.175) 3.120 4.923 ( 2.078 0.000 -1.033) 2.320 5.295 ( 0.924 0.000 -0.645) 1.127 5.536 ( 2.787 0.000 4.604) 5.382 5.843 ( -2.034 -0.000 0.208) 2.045 6.769 ( 0.531 0.000 0.438) 0.689 7.058 ( 5.371 0.000 -6.677) 8.569 9.184 ( -4.543 -0.000 11.544) 12.406 10.740 ( -1.235 -0.000 2.741) 3.007 11.717 ( 0.861 0.000 -3.820) 3.915 11.990 ( 3.409 0.000 -6.481) 7.323 12.449 ( 2.474 0.000 -2.050) 3.213 12.538 ( -1.573 -0.000 5.907) 6.113 12.947 ( 0.226 0.000 2.031) 2.044 13.311 ( -1.673 -0.000 0.186) 1.683 ======================= Grid point 141 (67/201) ======================= q-point: ( 0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 15.039 -5.708 7.506) 17.751 1.464 ( 1.575 -4.131 12.315) 13.084 2.077 ( -4.388 0.122 1.130) 4.533 2.346 ( -2.254 -0.320 0.598) 2.354 2.467 ( 2.709 5.254 -4.375) 7.354 2.726 ( 9.182 -1.011 18.140) 20.357 2.929 ( 10.201 -6.683 0.953) 12.232 3.324 ( -4.565 1.754 -10.005) 11.136 3.474 ( 0.051 -5.821 -7.342) 9.369 3.965 ( 1.633 0.569 0.871) 1.937 4.982 ( 2.627 -4.188 -1.871) 5.286 5.308 ( 2.688 0.740 0.052) 2.789 5.588 ( 2.978 0.335 3.153) 4.350 5.814 ( -0.836 1.608 0.662) 1.929 6.808 ( -0.046 -4.058 0.234) 4.065 7.075 ( 5.431 1.216 -7.028) 8.964 9.174 ( -4.430 1.490 10.957) 11.912 10.739 ( -1.086 0.169 2.894) 3.096 11.719 ( 0.980 -1.064 -4.060) 4.310 11.977 ( 3.468 2.461 -6.574) 7.830 12.518 ( 1.870 -5.512 -1.666) 6.054 12.535 ( -0.985 1.348 5.150) 5.414 12.952 ( 0.351 0.833 2.042) 2.233 13.311 ( -1.576 -1.767 0.646) 2.454 ======================= Grid point 142 (68/201) ======================= q-point: ( 0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.040 -0.962 4.017) 4.131 1.625 ( 15.636 -7.423 1.489) 17.373 2.034 ( -1.957 0.544 2.867) 3.514 2.276 ( -2.235 4.038 -7.982) 9.220 2.415 ( 1.349 1.902 -0.679) 2.429 2.882 ( 3.818 3.346 3.922) 6.415 3.074 ( 3.472 -3.824 0.207) 5.169 3.261 ( 2.774 -3.255 2.806) 5.115 3.611 ( -0.350 -9.091 -0.523) 9.113 3.940 ( -2.664 2.271 1.337) 3.747 5.082 ( 2.509 -5.513 -2.617) 6.598 5.323 ( 2.948 1.426 0.040) 3.275 5.605 ( 1.578 1.409 0.183) 2.123 5.786 ( 0.994 2.481 1.042) 2.869 6.890 ( -0.597 -5.847 0.299) 5.885 7.073 ( 5.001 2.096 -6.979) 8.838 9.144 ( -4.273 2.138 10.186) 11.251 10.738 ( -0.980 0.194 2.906) 3.073 11.735 ( 1.200 -1.621 -4.022) 4.499 11.930 ( 3.262 3.691 -6.808) 8.403 12.510 ( -1.466 2.363 5.507) 6.170 12.644 ( 1.152 -7.711 -1.800) 8.001 12.946 ( 0.648 1.652 1.597) 2.387 13.336 ( -1.371 -2.503 1.478) 3.214 ======================= Grid point 143 (69/201) ======================= q-point: (-0.50 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -1.408 3.976 -1.189) 4.382 1.782 ( 1.477 3.758 2.145) 4.572 2.105 ( 5.573 -2.685 3.237) 6.982 2.163 ( 4.792 1.758 -8.592) 9.993 2.402 ( -0.663 0.138 0.821) 1.064 2.764 ( -3.393 4.766 -6.855) 9.012 3.230 ( 4.863 -4.451 4.221) 7.828 3.368 ( 3.555 -1.178 2.928) 4.754 3.667 ( -6.324 2.115 5.785) 8.828 3.905 ( -1.989 -3.541 1.292) 4.261 5.182 ( 1.833 -4.920 -2.623) 5.869 5.320 ( 1.948 2.180 -0.363) 2.946 5.596 ( 0.575 0.200 -2.062) 2.150 5.755 ( 1.770 3.482 -0.130) 3.909 6.971 ( -0.877 -4.301 0.323) 4.401 7.052 ( 4.082 2.698 -6.313) 7.987 9.110 ( -4.161 1.722 9.738) 10.729 10.738 ( -0.964 0.092 2.773) 2.938 11.760 ( 1.302 -1.903 -3.619) 4.291 11.875 ( 3.202 3.176 -7.170) 8.470 12.480 ( -1.859 1.936 5.465) 6.089 12.762 ( -0.196 -6.475 -1.034) 6.560 12.925 ( 1.115 2.752 0.702) 3.051 13.370 ( -1.138 -2.094 2.246) 3.275 ======================= Grid point 144 (70/201) ======================= q-point: (-0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -1.430 9.701 -1.064) 9.864 1.665 ( -2.394 9.080 6.672) 11.519 2.082 ( 1.911 3.405 0.038) 3.904 2.273 ( -0.166 -1.097 2.759) 2.973 2.455 ( 6.737 -3.677 -0.920) 7.730 2.646 ( -5.164 0.080 -6.692) 8.453 3.303 ( 1.776 6.244 4.201) 7.732 3.347 ( -3.330 2.816 0.060) 4.361 3.560 ( -0.017 3.277 2.595) 4.180 3.984 ( -1.278 -4.702 1.437) 5.080 5.234 ( 1.379 0.482 -2.664) 3.038 5.303 ( 0.186 -0.193 -0.896) 0.935 5.587 ( 0.103 0.801 -2.506) 2.633 5.726 ( 0.759 0.209 -1.232) 1.463 7.004 ( -0.871 -0.685 0.483) 1.209 7.016 ( 3.280 3.202 -5.646) 7.272 9.092 ( -4.106 0.391 9.905) 10.730 10.739 ( -1.045 -0.094 2.555) 2.762 11.785 ( 1.167 -0.813 -2.828) 3.166 11.843 ( 3.316 0.324 -7.849) 8.527 12.460 ( -2.309 0.698 5.526) 6.029 12.833 ( -0.826 -2.568 -0.020) 2.698 12.885 ( 1.334 3.259 -1.031) 3.669 13.395 ( -1.003 -0.943 2.510) 2.863 ======================= Grid point 145 (71/201) ======================= q-point: (-0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -1.296 10.915 6.001) 12.523 1.533 ( -1.508 9.794 13.543) 16.781 2.053 ( 0.250 3.389 5.569) 6.524 2.259 ( -2.887 -0.034 1.788) 3.396 2.495 ( -1.908 6.934 8.896) 11.439 2.613 ( -1.416 -4.002 -9.282) 10.206 3.083 ( -3.897 12.971 4.728) 14.345 3.345 ( 2.760 -1.049 -4.948) 5.762 3.588 ( 5.881 -1.256 -3.310) 6.864 3.995 ( -1.427 2.231 -0.857) 2.783 5.179 ( 0.763 4.997 -2.797) 5.777 5.318 ( -0.737 -1.945 -2.903) 3.571 5.540 ( -0.433 3.103 -0.314) 3.148 5.767 ( -1.175 -5.225 -0.944) 5.438 6.955 ( 0.838 5.474 0.538) 5.564 6.998 ( 1.763 0.457 -5.087) 5.403 9.100 ( -4.140 -1.097 10.588) 11.421 10.741 ( -1.195 -0.195 2.371) 2.662 11.780 ( 1.543 0.855 -3.809) 4.197 11.867 ( 2.710 -2.772 -6.825) 7.849 12.461 ( -2.476 -0.832 5.650) 6.225 12.780 ( 1.264 7.233 -1.926) 7.591 12.887 ( -0.620 -1.923 -0.383) 2.056 13.399 ( -1.035 0.388 2.077) 2.353 ======================= Grid point 146 (72/201) ======================= q-point: (-0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -2.394 7.919 14.483) 16.679 1.433 ( -2.518 9.666 19.394) 21.815 2.042 ( 2.321 3.760 12.232) 13.005 2.229 ( -3.559 1.849 1.486) 4.277 2.363 ( -0.597 10.334 17.066) 19.960 2.590 ( -4.134 -2.462 -7.331) 8.769 2.903 ( 2.956 9.860 -2.653) 10.630 3.413 ( 6.036 -5.369 -8.814) 11.956 3.637 ( 3.194 1.163 -9.591) 10.176 3.905 ( -0.519 4.329 0.936) 4.459 5.077 ( 0.645 6.480 -3.628) 7.454 5.311 ( -1.849 -1.099 -3.893) 4.447 5.503 ( 0.007 1.624 3.045) 3.451 5.830 ( -3.007 -4.891 -0.489) 5.762 6.867 ( 0.796 6.339 1.171) 6.495 6.996 ( 3.265 -0.145 -5.531) 6.424 9.130 ( -4.264 -1.921 11.372) 12.296 10.741 ( -1.332 -0.188 2.376) 2.730 11.762 ( 1.267 1.095 -4.166) 4.490 11.916 ( 2.670 -3.153 -6.428) 7.641 12.483 ( -2.290 -1.806 5.784) 6.478 12.641 ( 1.318 9.402 -3.584) 10.148 12.908 ( -0.326 -1.311 0.761) 1.550 13.379 ( -1.247 1.395 1.120) 2.181 ======================= Grid point 149 (73/201) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 19.857 0.000 3.093) 20.096 1.517 ( 3.914 0.000 9.775) 10.529 2.030 ( -4.653 -0.000 0.597) 4.691 2.304 ( -3.893 -0.000 -2.746) 4.764 2.484 ( -2.162 -0.000 -5.397) 5.814 2.907 ( 9.629 0.000 13.794) 16.822 2.993 ( 8.831 0.000 -0.340) 8.837 3.314 ( 4.000 0.000 -0.381) 4.019 3.353 ( -3.026 -0.000 -8.822) 9.326 3.977 ( -1.639 -0.000 1.120) 1.985 4.976 ( 3.434 0.000 -1.276) 3.664 5.353 ( 3.632 0.000 0.722) 3.703 5.647 ( 3.705 0.000 3.118) 4.842 5.820 ( -0.891 -0.000 0.971) 1.318 6.769 ( -0.562 -0.000 -0.261) 0.620 7.114 ( 5.866 0.000 -7.817) 9.773 9.187 ( -4.590 -0.000 10.760) 11.698 10.743 ( -0.983 -0.000 3.134) 3.284 11.703 ( 1.118 0.000 -3.982) 4.136 12.006 ( 3.517 0.000 -6.722) 7.587 12.487 ( 2.642 0.000 -2.148) 3.405 12.562 ( -1.105 -0.000 5.439) 5.550 12.971 ( 0.139 0.000 2.271) 2.275 13.282 ( -1.295 -0.000 0.806) 1.526 ======================= Grid point 150 (74/201) ======================= q-point: ( 0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 3.459 0.736 3.060) 4.676 1.729 ( 18.749 -2.868 -1.585) 19.033 2.002 ( -3.312 -2.262 2.229) 4.589 2.237 ( -3.695 1.091 -3.337) 5.097 2.430 ( -1.992 0.149 -5.482) 5.834 2.964 ( -1.380 5.293 -7.523) 9.302 3.076 ( 5.178 -3.742 2.801) 6.976 3.307 ( 6.703 0.476 6.971) 9.683 3.489 ( 4.553 -7.752 1.866) 9.182 3.931 ( -6.227 1.430 2.632) 6.910 5.032 ( 3.134 -3.013 -1.842) 4.721 5.386 ( 3.643 1.318 0.740) 3.944 5.667 ( 2.113 3.077 1.078) 3.885 5.821 ( 0.337 -0.035 1.750) 1.782 6.795 ( -1.037 -4.224 -0.320) 4.361 7.128 ( 5.694 1.521 -8.023) 9.955 9.173 ( -4.581 1.411 10.333) 11.391 10.745 ( -0.919 0.230 3.212) 3.348 11.707 ( 1.322 -1.071 -3.918) 4.271 11.989 ( 3.265 2.668 -6.854) 8.047 12.541 ( 0.928 -3.038 -0.257) 3.187 12.563 ( -0.206 0.116 3.272) 3.280 12.977 ( 0.071 0.658 2.097) 2.199 13.291 ( -0.938 -1.886 1.390) 2.524 ======================= Grid point 151 (75/201) ======================= q-point: ( 0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 2.926 3.256 -2.633) 5.108 1.860 ( 2.819 1.832 -1.038) 3.519 2.109 ( 6.151 -5.662 3.619) 9.110 2.179 ( 0.472 0.073 -5.192) 5.214 2.386 ( 0.196 0.585 -6.468) 6.497 2.765 ( -6.119 6.589 -8.673) 12.493 3.224 ( 3.525 -5.935 1.219) 7.009 3.428 ( 6.305 -0.242 7.607) 9.883 3.645 ( 1.847 -4.022 4.961) 6.649 3.835 ( -8.638 0.907 4.156) 9.628 5.114 ( 2.250 -4.372 -2.191) 5.383 5.390 ( 2.733 2.832 0.102) 3.937 5.623 ( 0.817 3.230 -1.042) 3.491 5.824 ( 1.140 2.135 0.985) 2.613 6.871 ( -1.293 -6.171 0.087) 6.305 7.115 ( 4.862 2.691 -7.556) 9.380 9.141 ( -4.438 2.019 9.911) 11.045 10.745 ( -0.935 0.353 3.068) 3.226 11.728 ( 1.496 -1.677 -3.838) 4.447 11.936 ( 3.040 3.822 -6.864) 8.424 12.525 ( -1.769 2.605 5.293) 6.158 12.649 ( 0.828 -6.434 -2.100) 6.818 12.971 ( 0.230 1.303 1.652) 2.117 13.329 ( -0.705 -2.604 2.111) 3.426 ======================= Grid point 152 (76/201) ======================= q-point: (-0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.351 6.261 -3.275) 8.298 1.797 ( -0.462 5.653 2.354) 6.141 2.124 ( -1.301 1.079 -1.529) 2.280 2.270 ( -0.221 -0.250 2.552) 2.573 2.406 ( 6.958 -5.330 -10.432) 13.625 2.581 ( -7.379 2.750 -2.768) 8.347 3.317 ( -0.029 -2.298 -1.852) 2.952 3.468 ( 2.109 5.857 5.320) 8.189 3.661 ( 1.949 4.252 5.463) 7.192 3.846 ( -5.701 -8.108 4.926) 11.068 5.194 ( 1.258 -3.992 -2.240) 4.747 5.353 ( 1.345 3.971 -0.684) 4.248 5.588 ( 0.973 1.089 -2.353) 2.769 5.779 ( 0.644 4.293 -0.689) 4.395 6.951 ( -1.104 -4.624 0.264) 4.761 7.081 ( 3.677 3.147 -6.341) 7.977 9.108 ( -4.232 1.509 9.733) 10.720 10.742 ( -1.025 0.308 2.787) 2.985 11.757 ( 1.463 -1.905 -3.654) 4.372 11.878 ( 3.066 3.202 -6.975) 8.265 12.486 ( -2.209 2.241 5.400) 6.250 12.746 ( -0.154 -5.705 -1.601) 5.927 12.951 ( 0.467 2.511 0.908) 2.711 13.372 ( -0.721 -2.017 2.567) 3.343 ======================= Grid point 153 (77/201) ======================= q-point: (-0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 7.009 10.971 -0.313) 13.023 1.724 ( 1.780 6.804 7.360) 10.180 2.070 ( -6.564 1.410 3.011) 7.358 2.246 ( -1.425 -0.176 1.940) 2.414 2.416 ( -7.827 -3.012 -9.079) 12.360 2.597 ( 5.295 -3.167 0.384) 6.181 3.251 ( -3.963 8.171 3.898) 9.882 3.386 ( 2.341 5.212 -1.423) 5.889 3.679 ( 7.827 2.565 0.631) 8.261 3.928 ( -5.728 -5.861 3.277) 8.826 5.234 ( 0.860 0.252 -2.822) 2.961 5.297 ( 0.315 2.443 -1.255) 2.765 5.579 ( 1.209 1.003 -2.020) 2.559 5.717 ( -0.306 1.603 -1.428) 2.169 6.990 ( -0.181 -1.266 -0.689) 1.452 7.038 ( 2.526 3.360 -4.221) 5.957 9.094 ( -4.076 0.095 9.895) 10.702 10.738 ( -1.133 0.131 2.524) 2.770 11.782 ( 1.056 -0.932 -2.917) 3.240 11.845 ( 3.357 0.625 -7.747) 8.466 12.460 ( -2.363 0.811 5.509) 6.049 12.814 ( -0.426 -3.412 -0.499) 3.475 12.901 ( 0.616 4.344 -0.611) 4.430 13.397 ( -0.957 -0.617 2.489) 2.737 ======================= Grid point 154 (78/201) ======================= q-point: (-0.12 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 9.039 12.874 3.990) 16.228 1.649 ( -1.783 9.858 14.489) 17.616 2.008 ( -5.604 -3.905 0.682) 6.864 2.284 ( 2.242 0.198 5.396) 5.846 2.369 ( -6.468 -6.213 -5.872) 10.720 2.651 ( 2.952 4.987 6.656) 8.825 3.083 ( 1.256 9.973 1.756) 10.203 3.342 ( 0.274 -0.081 -5.582) 5.590 3.717 ( 7.819 3.737 -4.347) 9.695 3.932 ( -4.168 -0.633 1.914) 4.630 5.171 ( 0.964 5.680 -3.071) 6.528 5.280 ( 0.121 -0.083 -2.533) 2.537 5.554 ( 1.318 2.460 0.562) 2.847 5.730 ( -0.969 -3.817 -1.062) 4.078 6.974 ( -0.194 4.746 1.811) 5.084 7.004 ( 3.433 -0.039 -6.284) 7.161 9.107 ( -4.062 -1.390 10.330) 11.187 10.736 ( -1.202 -0.022 2.442) 2.722 11.775 ( 1.118 1.073 -3.623) 3.940 11.867 ( 3.096 -2.693 -7.128) 8.225 12.462 ( -2.140 -0.952 5.613) 6.082 12.780 ( 0.244 7.305 -1.246) 7.414 12.881 ( 0.346 -2.010 -0.228) 2.052 13.392 ( -1.285 0.947 1.863) 2.453 ======================= Grid point 158 (79/201) ======================= q-point: ( 0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 3.835 0.000 1.074) 3.982 1.841 ( 3.268 0.000 -8.744) 9.335 1.988 ( 9.647 0.000 3.836) 10.382 2.218 ( -1.730 -0.000 -0.354) 1.766 2.349 ( -6.088 -0.000 -3.013) 6.793 3.006 ( -0.251 -0.000 -8.233) 8.236 3.006 ( -2.202 -0.000 -6.105) 6.490 3.450 ( 8.490 0.000 8.444) 11.975 3.507 ( 8.494 0.000 4.065) 9.416 3.875 ( -9.479 -0.000 5.146) 10.786 5.032 ( 2.772 0.000 -1.897) 3.359 5.441 ( 3.517 0.000 0.650) 3.576 5.735 ( 2.336 0.000 1.254) 2.651 5.818 ( -0.684 -0.000 2.524) 2.615 6.742 ( -1.427 -0.000 -0.704) 1.591 7.165 ( 5.615 0.000 -8.660) 10.321 9.181 ( -4.832 -0.000 10.326) 11.401 10.753 ( -0.912 -0.000 3.390) 3.510 11.696 ( 1.507 0.000 -3.629) 3.929 12.015 ( 3.082 0.000 -7.047) 7.692 12.516 ( 1.817 0.000 -2.581) 3.157 12.584 ( -1.436 -0.000 5.087) 5.285 12.989 ( -0.397 -0.000 2.069) 2.107 13.275 ( -0.337 -0.000 1.640) 1.674 ======================= Grid point 159 (80/201) ======================= q-point: (-0.50 -0.62 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.958 2.899 -3.802) 4.876 1.818 ( -4.976 -4.258 -5.259) 8.399 2.138 ( 5.405 1.859 0.579) 5.745 2.198 ( 6.444 -1.077 1.163) 6.636 2.328 ( -2.323 -4.104 -3.156) 5.675 2.796 ( -4.554 9.439 -9.028) 13.833 3.101 ( -1.334 -9.227 -3.789) 10.064 3.539 ( 4.698 1.448 5.747) 7.563 3.646 ( 5.588 -3.193 3.432) 7.294 3.786 ( -8.363 1.533 7.057) 11.050 5.070 ( 1.883 -2.612 -2.168) 3.882 5.460 ( 2.647 2.044 -0.240) 3.353 5.702 ( 0.756 4.862 0.799) 4.984 5.848 ( 0.040 -0.938 2.397) 2.575 6.761 ( -1.615 -4.559 -0.419) 4.855 7.168 ( 4.806 1.711 -8.649) 10.041 9.164 ( -4.859 1.250 10.207) 11.373 10.755 ( -0.962 0.337 3.329) 3.482 11.706 ( 1.673 -0.994 -3.450) 3.961 11.992 ( 2.861 2.649 -7.020) 8.030 12.549 ( 0.115 -2.281 -0.594) 2.360 12.578 ( -1.039 0.071 2.949) 3.127 12.990 ( -0.583 0.333 1.805) 1.926 13.298 ( 0.027 -1.748 2.079) 2.716 ======================= Grid point 160 (81/201) ======================= q-point: (-0.38 -0.62 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.429 0.077 -3.902) 3.926 1.801 ( -5.001 -2.626 -3.180) 6.482 2.113 ( 0.323 1.806 -0.007) 1.835 2.283 ( -0.953 0.222 3.110) 3.261 2.406 ( 10.057 -2.400 -8.956) 13.679 2.549 ( -7.945 6.858 -3.640) 11.109 3.221 ( -1.468 -8.078 -2.438) 8.565 3.540 ( -5.353 0.508 4.775) 7.191 3.735 ( -0.826 -0.354 4.963) 5.043 3.753 ( 3.418 0.087 3.837) 5.139 5.132 ( 1.147 -3.935 -2.025) 4.572 5.427 ( 1.038 3.826 -1.334) 4.183 5.640 ( 1.357 3.983 0.059) 4.208 5.841 ( -0.377 2.594 0.896) 2.770 6.841 ( -1.505 -6.732 0.359) 6.908 7.137 ( 3.564 2.820 -8.065) 9.257 9.132 ( -4.666 1.733 10.031) 11.198 10.751 ( -1.055 0.549 3.072) 3.294 11.730 ( 1.783 -1.474 -3.541) 4.229 11.937 ( 2.772 3.663 -6.782) 8.191 12.527 ( -2.427 2.605 5.187) 6.292 12.641 ( 0.390 -5.855 -2.482) 6.371 12.982 ( -0.583 0.809 1.482) 1.786 13.343 ( -0.073 -2.232 2.467) 3.328 ======================= Grid point 161 (82/201) ======================= q-point: (-0.25 -0.62 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 1.575 -0.415 -1.321) 2.097 1.794 ( -1.272 -2.967 -1.483) 3.553 2.048 ( -6.956 5.604 5.355) 10.415 2.249 ( 0.294 2.491 -2.004) 3.211 2.308 ( -4.936 3.300 -5.909) 8.377 2.577 ( 4.757 -4.792 -0.712) 6.790 3.282 ( -0.339 -1.388 -1.021) 1.756 3.479 ( -4.294 2.537 0.948) 5.077 3.755 ( -3.626 -3.508 5.173) 7.226 3.816 ( 4.421 0.262 2.179) 4.936 5.196 ( 0.790 -3.362 -2.149) 4.068 5.360 ( 0.149 4.025 -1.171) 4.195 5.606 ( 2.183 2.077 -1.588) 3.406 5.771 ( -0.725 4.752 -0.390) 4.823 6.932 ( -0.983 -5.165 0.677) 5.302 7.088 ( 2.461 2.731 -6.884) 7.804 9.104 ( -4.387 1.158 9.858) 10.852 10.744 ( -1.122 0.510 2.776) 3.038 11.758 ( 1.724 -1.586 -3.599) 4.295 11.880 ( 2.843 3.075 -6.801) 7.987 12.483 ( -2.593 2.114 5.418) 6.367 12.732 ( 0.420 -5.666 -1.777) 5.953 12.958 ( -0.596 2.255 0.847) 2.482 13.383 ( -0.526 -1.447 2.602) 3.023 ======================= Grid point 162 (83/201) ======================= q-point: (-0.12 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 5.953 4.153 -0.618) 7.285 1.835 ( -11.427 9.746 10.159) 18.132 1.870 ( 1.525 -5.893 0.058) 6.087 2.185 ( -2.237 -1.603 -9.281) 9.680 2.302 ( 0.694 -2.504 4.772) 5.434 2.690 ( 3.104 -3.849 0.232) 4.950 3.255 ( 1.016 6.074 2.853) 6.787 3.369 ( -1.191 4.775 -4.314) 6.544 3.810 ( -8.690 -6.095 5.762) 12.078 3.849 ( 7.242 2.717 -1.256) 7.836 5.225 ( 1.051 0.203 -3.107) 3.286 5.297 ( 0.400 3.084 -0.547) 3.158 5.601 ( 2.094 0.999 -2.040) 3.090 5.698 ( -0.260 1.812 -0.612) 1.931 6.986 ( 0.148 -2.023 -0.239) 2.042 7.043 ( 1.823 2.465 -5.026) 5.887 9.094 ( -4.170 -0.256 9.803) 10.656 10.737 ( -1.120 0.280 2.600) 2.845 11.780 ( 1.221 -0.500 -2.858) 3.148 11.846 ( 3.244 0.543 -7.771) 8.438 12.459 ( -2.327 0.451 5.513) 6.001 12.812 ( 0.556 -3.543 -0.183) 3.591 12.899 ( -0.314 4.176 -0.543) 4.223 13.397 ( -1.052 0.070 2.383) 2.606 ======================= Grid point 167 (84/201) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -11.197 -0.000 -6.362) 12.878 1.680 ( -0.759 -0.000 -4.493) 4.557 2.201 ( -5.099 -0.000 -0.314) 5.109 2.236 ( 1.813 0.000 3.267) 3.736 2.303 ( 12.201 0.000 0.503) 12.211 2.850 ( -7.062 -0.000 -4.983) 8.644 2.903 ( -3.572 -0.000 -6.977) 7.838 3.594 ( -3.921 -0.000 5.683) 6.904 3.673 ( 4.455 0.000 0.802) 4.527 3.789 ( 1.053 0.000 4.290) 4.417 5.051 ( 0.825 0.000 -2.564) 2.694 5.503 ( 2.422 0.000 -1.284) 2.741 5.762 ( -0.537 -0.000 0.126) 0.552 5.841 ( -0.449 -0.000 5.584) 5.602 6.701 ( -1.588 -0.000 -0.670) 1.724 7.191 ( 4.033 0.000 -9.164) 10.012 9.167 ( -5.121 -0.000 10.491) 11.674 10.763 ( -1.039 -0.000 3.389) 3.544 11.702 ( 1.773 0.000 -2.992) 3.478 12.013 ( 2.711 0.000 -7.182) 7.677 12.515 ( 0.511 0.000 -3.032) 3.075 12.588 ( -2.465 -0.000 5.056) 5.625 12.990 ( -1.070 -0.000 1.575) 1.904 13.296 ( 0.606 0.000 2.138) 2.223 ======================= Grid point 168 (85/201) ======================= q-point: (-0.38 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -11.513 -2.606 -3.372) 12.277 1.658 ( -5.937 -3.625 -3.726) 7.892 2.155 ( 0.048 0.812 -1.040) 1.320 2.280 ( -0.294 -0.250 4.420) 4.436 2.440 ( 8.666 -2.247 -0.101) 8.953 2.596 ( -8.168 10.125 -5.626) 14.174 2.981 ( -8.216 -13.068 -1.466) 15.506 3.532 ( -4.026 4.069 5.964) 8.266 3.747 ( 2.297 -3.113 0.016) 3.868 3.808 ( 3.454 1.777 -1.536) 4.177 5.071 ( 0.219 -3.151 -2.515) 4.038 5.490 ( 1.348 3.244 -2.462) 4.290 5.716 ( -0.688 3.269 0.952) 3.474 5.867 ( -0.866 0.492 4.903) 5.004 6.725 ( -1.310 -4.922 -0.123) 5.095 7.171 ( 2.805 1.748 -9.117) 9.698 9.150 ( -5.072 1.074 10.618) 11.817 10.762 ( -1.140 0.438 3.222) 3.446 11.716 ( 1.871 -0.858 -2.931) 3.582 11.987 ( 2.612 2.489 -6.975) 7.853 12.536 ( -0.272 -3.003 -1.615) 3.420 12.570 ( -2.503 0.606 3.760) 4.557 12.984 ( -1.253 0.015 1.341) 1.836 13.326 ( 0.605 -1.364 2.247) 2.697 ======================= Grid point 169 (86/201) ======================= q-point: (-0.25 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -10.346 -8.179 -0.741) 13.210 1.659 ( -6.783 -6.213 0.313) 9.204 2.112 ( -4.424 5.318 1.370) 7.052 2.256 ( -4.224 1.165 5.065) 6.697 2.368 ( 1.402 6.473 -8.597) 10.852 2.565 ( 5.140 -2.947 1.336) 6.073 3.119 ( -7.871 -14.383 -0.093) 16.396 3.450 ( -3.036 4.073 5.008) 7.134 3.752 ( -0.065 2.882 -3.801) 4.770 3.851 ( 3.456 -3.161 -0.382) 4.699 5.129 ( 0.379 -4.459 -2.135) 4.959 5.419 ( 0.062 4.318 -2.112) 4.807 5.666 ( 0.354 2.848 -0.683) 2.950 5.837 ( -1.062 3.973 3.407) 5.341 6.819 ( -0.884 -7.173 0.803) 7.272 7.118 ( 1.664 2.445 -8.597) 9.091 9.123 ( -4.808 1.495 10.474) 11.621 10.754 ( -1.196 0.657 2.949) 3.250 11.740 ( 2.043 -1.180 -3.363) 4.108 11.934 ( 2.545 3.438 -6.575) 7.844 12.516 ( -2.972 2.404 5.388) 6.607 12.626 ( 0.618 -6.485 -2.701) 7.053 12.972 ( -1.373 0.481 1.098) 1.822 13.366 ( 0.065 -1.568 2.377) 2.848 ======================= Grid point 170 (87/201) ======================= q-point: (-0.12 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -7.726 -10.475 -2.152) 13.193 1.689 ( -11.887 -5.391 7.032) 14.826 1.951 ( -2.408 4.178 3.206) 5.791 2.255 ( 1.297 3.018 -0.393) 3.308 2.292 ( 5.144 2.212 -2.324) 6.063 2.662 ( 3.135 -2.929 0.618) 4.335 3.254 ( -3.935 -9.615 -1.612) 10.514 3.378 ( -2.605 3.519 2.445) 5.015 3.679 ( -5.207 0.062 -0.426) 5.224 3.933 ( 4.522 -0.924 -0.414) 4.634 5.192 ( 0.786 -3.414 -2.338) 4.212 5.350 ( -0.067 3.201 -0.750) 3.288 5.626 ( 0.682 1.465 -3.022) 3.427 5.760 ( -0.293 5.284 1.724) 5.566 6.925 ( -0.298 -5.488 0.902) 5.570 7.062 ( 1.223 1.549 -7.217) 7.482 9.098 ( -4.477 0.918 10.125) 11.109 10.744 ( -1.134 0.555 2.711) 2.990 11.766 ( 2.010 -1.200 -3.632) 4.321 11.878 ( 2.607 2.983 -6.652) 7.742 12.474 ( -2.760 1.636 5.527) 6.391 12.736 ( 1.439 -6.296 -1.709) 6.680 12.942 ( -1.383 2.053 0.485) 2.522 13.394 ( -0.628 -0.717 2.457) 2.635 ======================= Grid point 176 (88/201) ======================= q-point: (-0.38 -0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -15.326 -0.000 1.953) 15.450 1.524 ( -10.315 -0.000 -1.402) 10.410 2.141 ( -0.696 -0.000 -1.653) 1.793 2.316 ( 1.749 0.000 3.718) 4.109 2.514 ( 6.200 0.000 2.413) 6.654 2.639 ( -7.745 -0.000 -3.381) 8.451 2.648 ( -18.243 -0.000 3.298) 18.539 3.598 ( 1.584 0.000 3.970) 4.274 3.716 ( 0.595 0.000 -2.737) 2.801 3.844 ( 3.824 0.000 -7.629) 8.534 5.025 ( -0.810 -0.000 -2.875) 2.987 5.525 ( 1.942 0.000 -3.989) 4.437 5.714 ( -4.077 -0.000 0.422) 4.099 5.901 ( -0.076 -0.000 8.719) 8.720 6.670 ( -0.705 -0.000 -0.311) 0.771 7.168 ( 1.733 0.000 -9.592) 9.747 9.153 ( -5.164 -0.000 11.176) 12.311 10.768 ( -1.245 -0.000 3.152) 3.389 11.716 ( 1.761 0.000 -2.464) 3.028 12.005 ( 2.616 0.000 -7.110) 7.576 12.487 ( -0.341 -0.000 -3.197) 3.215 12.571 ( -3.430 -0.000 5.410) 6.406 12.973 ( -1.484 -0.000 1.077) 1.833 13.333 ( 0.821 0.000 1.977) 2.141 ======================= Grid point 177 (89/201) ======================= q-point: (-0.25 -0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -14.113 -5.263 7.769) 16.948 1.457 ( -12.054 -6.397 3.920) 14.199 2.108 ( -5.929 1.900 -1.134) 6.328 2.277 ( -7.138 4.765 5.080) 9.973 2.397 ( -3.146 1.058 -0.726) 3.398 2.606 ( 5.034 -0.593 4.050) 6.488 2.742 ( -11.162 -16.137 1.425) 19.673 3.568 ( 1.920 5.884 0.292) 6.196 3.744 ( 0.113 -2.545 -6.731) 7.197 3.825 ( 3.035 1.066 -6.374) 7.140 5.042 ( -0.515 -4.430 -2.667) 5.196 5.484 ( 0.891 4.253 -3.653) 5.677 5.667 ( -3.992 0.102 -0.447) 4.018 5.917 ( -0.077 3.048 8.085) 8.641 6.710 ( -0.103 -5.145 0.332) 5.157 7.123 ( 0.677 1.554 -9.566) 9.715 9.141 ( -4.978 1.054 11.362) 12.449 10.764 ( -1.332 0.469 2.945) 3.266 11.731 ( 1.882 -0.840 -2.720) 3.412 11.980 ( 2.524 2.387 -6.784) 7.622 12.514 ( 0.200 -4.931 -2.762) 5.656 12.544 ( -3.455 1.292 5.168) 6.350 12.962 ( -1.564 -0.061 0.924) 1.817 13.357 ( 0.418 -0.959 1.855) 2.130 ======================= Grid point 178 (90/201) ======================= q-point: (-0.12 -0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -10.547 -9.480 7.185) 15.897 1.477 ( -14.488 -7.669 11.244) 19.878 1.957 ( -7.389 1.210 2.263) 7.821 2.245 ( -0.805 -1.492 3.253) 3.669 2.385 ( 0.876 0.413 -0.252) 1.001 2.675 ( 3.186 -0.629 1.827) 3.726 2.930 ( -8.125 -17.513 2.803) 19.509 3.473 ( 0.696 6.499 -1.638) 6.738 3.662 ( -0.343 4.694 -10.325) 11.347 3.899 ( 1.955 -6.436 -1.463) 6.884 5.115 ( 0.333 -5.371 -2.570) 5.963 5.404 ( 0.228 4.130 -1.690) 4.468 5.616 ( -3.252 0.393 -2.525) 4.136 5.870 ( -0.106 6.054 5.058) 7.890 6.820 ( 0.133 -7.159 1.126) 7.248 7.059 ( 0.467 1.393 -8.634) 8.758 9.117 ( -4.712 1.512 11.069) 12.125 10.753 ( -1.281 0.578 2.705) 3.049 11.755 ( 2.163 -0.983 -3.562) 4.282 11.928 ( 2.364 3.312 -6.333) 7.528 12.499 ( -3.134 2.115 5.693) 6.834 12.625 ( 1.689 -7.888 -3.108) 8.645 12.946 ( -1.633 0.505 0.674) 1.838 13.384 ( -0.280 -1.038 2.003) 2.273 ======================= Grid point 185 (91/201) ======================= q-point: (-0.25 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -12.316 -0.000 19.703) 23.236 1.276 ( -14.095 -0.000 8.707) 16.568 2.069 ( -5.799 -0.000 0.726) 5.845 2.160 ( -29.332 -0.000 14.642) 32.783 2.381 ( -0.190 -0.000 1.925) 1.934 2.527 ( 2.048 0.000 -5.795) 6.146 2.676 ( 4.345 0.000 4.404) 6.187 3.588 ( -3.682 -0.000 -7.308) 8.183 3.664 ( -1.567 -0.000 -5.556) 5.773 3.900 ( 9.696 0.000 -8.277) 12.748 4.975 ( -1.204 -0.000 -2.599) 2.865 5.519 ( 1.855 0.000 -6.569) 6.826 5.605 ( -6.443 -0.000 1.891) 6.715 5.987 ( 0.114 0.000 8.814) 8.814 6.669 ( 0.688 0.000 0.235) 0.727 7.094 ( -0.170 -0.000 -10.000) 10.002 9.150 ( -4.782 -0.000 11.950) 12.872 10.766 ( -1.442 -0.000 2.790) 3.141 11.730 ( 1.501 0.000 -2.329) 2.771 11.998 ( 2.685 0.000 -7.045) 7.539 12.450 ( -0.306 -0.000 -3.047) 3.062 12.545 ( -3.487 -0.000 5.918) 6.869 12.949 ( -1.443 -0.000 0.822) 1.661 13.360 ( 0.256 0.000 1.317) 1.341 ======================= Grid point 186 (92/201) ======================= q-point: (-0.12 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -8.653 -2.445 21.268) 23.090 1.254 ( -14.281 -7.136 16.889) 23.240 1.867 ( -16.505 0.285 11.021) 19.849 2.138 ( -10.028 -9.737 8.964) 16.604 2.369 ( -1.977 1.066 2.005) 3.011 2.635 ( 3.418 -9.490 -7.412) 12.517 2.734 ( 2.535 -0.844 4.838) 5.527 3.485 ( -4.092 1.558 -9.354) 10.328 3.681 ( 1.209 -5.134 -9.769) 11.102 3.885 ( 5.734 7.164 -3.486) 9.816 5.008 ( -0.246 -5.749 -2.805) 6.401 5.465 ( 0.523 3.835 -4.394) 5.855 5.555 ( -5.586 -0.653 0.082) 5.624 5.981 ( -0.956 4.444 5.863) 7.419 6.726 ( 0.962 -5.025 0.777) 5.175 7.039 ( -0.033 0.721 -9.142) 9.170 9.143 ( -4.634 1.313 11.969) 12.902 10.758 ( -1.470 0.390 2.616) 3.026 11.745 ( 1.709 -1.017 -3.032) 3.626 11.973 ( 2.450 2.422 -6.671) 7.508 12.497 ( 0.767 -6.628 -3.292) 7.441 12.524 ( -2.855 1.224 5.648) 6.446 12.938 ( -1.338 0.131 0.781) 1.555 13.373 ( -0.276 -0.802 1.188) 1.460 ======================= Grid point 194 (93/201) ======================= q-point: (-0.12 -0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -11.152 -0.000 20.466) 23.307 1.143 ( -6.130 -0.000 28.400) 29.054 1.693 ( -26.935 -0.000 28.482) 39.202 1.992 ( -2.455 -0.000 8.029) 8.396 2.377 ( -1.672 -0.000 0.160) 1.679 2.578 ( 8.226 0.000 -10.739) 13.528 2.766 ( -0.206 -0.000 2.398) 2.407 3.422 ( -0.150 -0.000 -9.133) 9.134 3.561 ( -2.324 -0.000 -7.234) 7.598 4.025 ( 6.614 0.000 -8.134) 10.483 4.933 ( -0.754 -0.000 -1.922) 2.065 5.471 ( -0.565 -0.000 -8.277) 8.296 5.497 ( -5.277 -0.000 3.706) 6.448 6.020 ( -3.412 -0.000 3.182) 4.665 6.700 ( 1.523 0.000 0.761) 1.702 7.006 ( 0.824 0.000 -8.194) 8.235 9.162 ( -4.414 -0.000 12.177) 12.953 10.757 ( -1.554 -0.000 2.493) 2.938 11.736 ( 1.147 0.000 -2.648) 2.886 11.991 ( 2.605 0.000 -7.173) 7.631 12.424 ( 0.470 0.000 -2.693) 2.734 12.531 ( -2.942 -0.000 6.050) 6.727 12.931 ( -0.951 -0.000 0.980) 1.365 13.365 ( -0.643 -0.000 0.558) 0.852 ======================= Grid point 195 (94/201) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -16.594 -0.000 19.422) 25.545 1.606 ( -4.267 -0.000 17.844) 18.347 2.254 ( 7.651 0.000 -16.549) 18.232 2.264 ( -5.579 -0.000 -0.050) 5.579 2.412 ( -1.246 -0.000 15.063) 15.115 2.479 ( 9.530 0.000 9.423) 13.402 2.716 ( -1.945 -0.000 7.116) 7.377 3.255 ( 7.203 0.000 -13.251) 15.083 3.334 ( -2.282 -0.000 -2.027) 3.052 3.874 ( 4.343 0.000 -6.123) 7.507 4.843 ( 1.790 0.000 -5.493) 5.777 5.290 ( -1.028 -0.000 -0.722) 1.257 5.569 ( 0.115 0.000 4.786) 4.787 5.912 ( -3.918 -0.000 -0.497) 3.949 6.776 ( 0.043 0.000 2.363) 2.364 6.902 ( 2.811 0.000 -4.054) 4.934 9.394 ( -3.507 -0.000 8.560) 9.250 10.828 ( -2.517 -0.000 5.510) 6.058 11.655 ( 0.533 0.000 -3.891) 3.927 11.828 ( 3.605 0.000 -8.233) 8.987 12.382 ( 1.547 0.000 -1.525) 2.172 12.646 ( -2.153 -0.000 5.243) 5.668 12.971 ( -0.036 -0.000 2.383) 2.383 13.340 ( -1.085 -0.000 -0.604) 1.242 ======================= Grid point 196 (95/201) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -8.437 1.591 16.766) 18.837 1.692 ( -6.451 -5.753 14.367) 16.766 2.131 ( 0.060 5.580 -6.900) 8.874 2.305 ( 0.935 -1.984 -8.806) 9.076 2.423 ( -2.316 -0.142 2.607) 3.490 2.719 ( 7.955 -9.253 9.198) 15.281 2.790 ( 4.604 -1.294 9.992) 11.078 3.232 ( 3.090 2.325 -10.844) 11.513 3.386 ( 0.340 -8.268 -0.677) 8.303 3.902 ( 4.831 -0.266 -2.512) 5.451 4.868 ( 2.595 -3.266 -6.866) 8.034 5.279 ( 0.317 0.721 0.963) 1.244 5.602 ( 0.844 -0.155 4.922) 4.996 5.855 ( -2.136 2.703 0.252) 3.454 6.810 ( 0.430 -2.673 0.354) 2.730 6.920 ( 2.384 -1.015 -3.487) 4.345 9.378 ( -3.549 1.826 8.316) 9.225 10.822 ( -2.233 0.543 5.384) 5.854 11.648 ( 0.847 -0.575 -4.293) 4.414 11.813 ( 3.661 2.102 -8.118) 9.150 12.451 ( 1.749 -6.626 -1.557) 7.028 12.633 ( -1.832 1.634 5.112) 5.671 12.974 ( 0.145 1.182 2.416) 2.694 13.345 ( -1.185 -2.257 -0.040) 2.550 ======================= Grid point 197 (96/201) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.927 -3.683 8.913) 10.078 1.745 ( -10.382 -5.437 7.560) 13.946 2.044 ( 3.721 4.355 -3.371) 6.646 2.222 ( -4.185 4.516 -5.655) 8.360 2.436 ( -1.731 -2.473 1.255) 3.269 2.836 ( 2.054 3.870 -2.238) 4.920 2.998 ( 5.819 -10.419 5.892) 13.309 3.226 ( 3.708 -1.047 1.251) 4.051 3.574 ( 3.204 -10.981 1.028) 11.485 3.950 ( 2.200 -0.711 -0.555) 2.378 4.934 ( 3.780 -4.798 -8.727) 10.652 5.284 ( 1.300 0.667 1.896) 2.394 5.621 ( -0.301 0.831 4.083) 4.178 5.789 ( 0.100 4.021 0.608) 4.068 6.851 ( 2.482 -1.079 -4.751) 5.468 6.967 ( 0.125 -3.986 0.482) 4.017 9.340 ( -3.487 2.578 8.024) 9.121 10.813 ( -1.858 0.641 4.855) 5.238 11.652 ( 1.575 -0.850 -5.097) 5.402 11.770 ( 3.349 3.129 -7.621) 8.893 12.593 ( 0.346 -4.811 0.964) 4.919 12.612 ( -0.841 -2.818 2.685) 3.982 12.956 ( 0.386 2.574 2.102) 3.345 13.381 ( -1.256 -3.173 1.099) 3.585 ======================= Grid point 198 (97/201) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 1.805 -1.409 0.489) 2.342 1.766 ( -5.489 -8.236 4.690) 10.952 1.995 ( 2.776 6.102 -4.874) 8.288 2.105 ( -1.967 1.756 3.918) 4.722 2.451 ( -1.928 -0.987 0.569) 2.239 2.748 ( -1.102 3.508 -4.631) 5.914 3.211 ( 2.404 -6.617 4.017) 8.105 3.301 ( 5.365 0.559 2.552) 5.967 3.785 ( 2.527 -8.789 2.327) 9.437 3.938 ( -2.287 2.530 1.188) 3.612 5.018 ( 4.853 -4.531 -10.178) 12.152 5.295 ( 0.832 0.575 1.716) 1.992 5.616 ( -1.641 -0.354 2.480) 2.995 5.732 ( 1.286 4.339 1.180) 4.677 6.860 ( 3.252 0.258 -6.916) 7.646 7.036 ( -0.931 -3.466 2.176) 4.197 9.300 ( -3.399 1.877 7.858) 8.765 10.807 ( -1.628 0.342 4.300) 4.611 11.660 ( 2.958 -0.459 -7.647) 8.212 11.726 ( 2.325 1.875 -5.221) 6.015 12.579 ( -1.589 1.413 4.805) 5.255 12.758 ( -0.321 -8.836 -0.646) 8.865 12.916 ( 0.870 4.288 1.449) 4.609 13.423 ( -1.227 -2.504 2.187) 3.544 ======================= Grid point 199 (98/201) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -7.549 2.494 3.730) 8.782 1.850 ( -7.527 0.150 7.427) 10.576 1.957 ( 7.914 -1.202 -4.103) 8.995 2.167 ( 5.568 -4.560 2.636) 7.664 2.429 ( -1.497 1.738 0.960) 2.486 2.684 ( -2.470 -0.022 -2.386) 3.434 3.273 ( 0.329 1.849 0.872) 2.070 3.345 ( 3.909 1.234 0.266) 4.108 3.778 ( -10.318 6.572 5.640) 13.471 3.950 ( 4.521 -1.828 -0.672) 4.923 5.074 ( 4.939 -1.050 -10.690) 11.823 5.296 ( -0.266 0.163 0.094) 0.326 5.628 ( -2.486 -1.160 3.509) 4.454 5.700 ( 1.002 -0.224 -0.352) 1.085 6.855 ( 2.890 0.546 -6.798) 7.407 7.063 ( -1.068 0.488 2.599) 2.852 9.282 ( -3.363 0.082 8.002) 8.680 10.806 ( -1.646 -0.131 3.979) 4.308 11.657 ( 4.118 0.334 -9.786) 10.622 11.722 ( 1.302 -1.022 -2.990) 3.418 12.569 ( -1.969 0.116 4.792) 5.182 12.844 ( 1.290 6.337 0.753) 6.510 12.867 ( -1.456 -5.469 -0.327) 5.669 13.450 ( -1.109 -0.822 2.646) 2.985 ======================= Grid point 200 (99/201) ======================= q-point: (-0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -7.557 0.323 11.341) 13.632 1.767 ( -8.319 2.798 9.991) 13.298 2.045 ( 5.586 -0.337 3.397) 6.546 2.323 ( 2.192 -3.282 0.544) 3.983 2.390 ( 4.141 1.816 -1.799) 4.867 2.663 ( -4.022 -1.933 0.046) 4.462 3.208 ( 1.589 7.216 -0.130) 7.390 3.307 ( -3.265 4.608 -2.638) 6.233 3.566 ( -7.640 6.474 4.725) 11.073 3.963 ( 2.869 4.522 -2.234) 5.803 5.054 ( 3.704 3.312 -9.753) 10.946 5.293 ( -0.544 -1.056 -2.083) 2.398 5.606 ( -2.630 1.596 4.312) 5.297 5.778 ( -0.837 -7.982 -1.431) 8.153 6.843 ( 2.236 0.766 -5.651) 6.125 7.022 ( -0.899 4.398 2.833) 5.308 9.298 ( -3.381 -1.737 8.382) 9.204 10.811 ( -1.885 -0.546 4.012) 4.466 11.659 ( 3.519 -0.436 -7.863) 8.625 11.748 ( 1.626 -2.126 -4.632) 5.349 12.577 ( -2.367 -1.256 4.887) 5.574 12.731 ( 1.535 9.207 -0.786) 9.367 12.917 ( -1.872 -2.943 0.555) 3.532 13.447 ( -0.990 1.049 2.183) 2.617 ======================= Grid point 201 (100/201) ======================= q-point: (-0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -8.924 -2.926 16.776) 19.226 1.696 ( -5.051 2.898 13.058) 14.298 2.124 ( 3.306 0.305 10.470) 10.984 2.288 ( -2.240 2.069 -1.547) 3.419 2.437 ( 5.075 1.993 -4.047) 6.790 2.646 ( -5.427 0.125 5.705) 7.876 2.988 ( -6.984 16.605 6.353) 19.102 3.203 ( 1.483 0.223 -9.600) 9.717 3.500 ( 0.195 0.403 -3.243) 3.274 3.875 ( 2.394 6.288 -2.920) 7.334 4.973 ( 2.435 5.095 -8.324) 10.059 5.298 ( -0.929 -1.715 -2.799) 3.412 5.576 ( -2.352 0.948 4.006) 4.741 5.886 ( -2.800 -7.596 -1.748) 8.282 6.824 ( 1.565 1.831 -2.953) 3.810 6.944 ( -0.158 4.779 1.645) 5.057 9.336 ( -3.409 -2.507 8.722) 9.694 10.819 ( -2.236 -0.745 4.456) 5.041 11.670 ( 2.186 -0.478 -5.366) 5.814 11.781 ( 2.349 -2.389 -6.824) 7.602 12.574 ( 0.756 8.927 -1.202) 9.040 12.605 ( -1.976 -0.873 4.418) 4.918 12.939 ( -1.257 -1.540 1.326) 2.389 13.416 ( -0.940 2.243 1.000) 2.630 ======================= Grid point 202 (101/201) ======================= q-point: (-0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -11.493 -5.148 18.883) 22.697 1.664 ( -4.875 4.403 16.223) 17.503 2.202 ( 0.533 -2.595 1.612) 3.101 2.262 ( 1.265 -1.113 5.918) 6.153 2.393 ( 2.332 4.725 -4.300) 6.801 2.542 ( -3.893 12.535 16.959) 21.446 2.754 ( -4.696 3.130 -0.238) 5.649 3.216 ( 6.706 -1.211 -10.900) 12.855 3.429 ( -1.548 5.099 -4.568) 7.019 3.846 ( 4.147 -0.516 -5.782) 7.134 4.884 ( 1.714 3.853 -6.406) 7.669 5.299 ( -1.361 -1.307 -2.091) 2.817 5.562 ( -1.272 0.650 4.031) 4.277 5.934 ( -4.348 -3.827 -1.579) 6.004 6.790 ( 0.554 2.884 1.410) 3.258 6.900 ( 1.674 1.419 -2.142) 3.067 9.376 ( -3.434 -1.822 8.758) 9.582 10.826 ( -2.509 -0.579 5.105) 5.718 11.668 ( 0.920 0.142 -4.003) 4.110 11.812 ( 3.150 -1.773 -8.031) 8.807 12.434 ( 1.180 6.884 -1.854) 7.226 12.632 ( -2.383 -1.629 5.202) 5.949 12.956 ( -0.484 -0.851 2.003) 2.230 13.371 ( -0.985 1.954 -0.191) 2.197 ======================= Grid point 204 (102/201) ======================= q-point: ( 0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -5.153 -0.000 14.856) 15.724 1.654 ( -3.760 -0.000 11.843) 12.426 2.149 ( -5.159 -0.000 0.847) 5.228 2.259 ( 7.652 0.000 -18.567) 20.082 2.372 ( -4.878 -0.000 -1.680) 5.160 2.808 ( 11.574 0.000 7.337) 13.704 2.888 ( 5.275 0.000 8.271) 9.810 3.243 ( 2.827 0.000 -7.340) 7.866 3.303 ( -0.492 -0.000 2.843) 2.885 3.950 ( 5.059 0.000 -1.200) 5.200 4.843 ( 3.531 0.000 -6.837) 7.695 5.302 ( 1.691 0.000 1.667) 2.374 5.640 ( 1.892 0.000 4.966) 5.314 5.860 ( -1.477 -0.000 1.139) 1.865 6.787 ( -0.589 -0.000 1.444) 1.560 6.927 ( 3.602 0.000 -5.704) 6.746 9.393 ( -3.647 -0.000 8.197) 8.972 10.829 ( -2.186 -0.000 5.823) 6.220 11.632 ( 0.820 0.000 -4.040) 4.122 11.836 ( 4.015 0.000 -8.344) 9.259 12.410 ( 2.195 0.000 -1.556) 2.691 12.653 ( -1.527 -0.000 5.064) 5.289 12.997 ( 0.213 0.000 2.551) 2.560 13.312 ( -1.019 -0.000 -0.164) 1.032 ======================= Grid point 205 (103/201) ======================= q-point: ( 0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 4.213 -3.099 8.895) 10.318 1.658 ( -4.470 0.396 5.446) 7.056 2.096 ( -1.468 0.401 0.753) 1.698 2.232 ( 1.192 3.196 -10.759) 11.287 2.337 ( -3.165 -3.156 -4.090) 6.058 2.898 ( 0.916 3.909 -5.954) 7.181 2.991 ( 8.367 -4.731 4.866) 10.773 3.273 ( 4.745 -0.737 7.159) 8.620 3.428 ( 2.671 -9.948 3.199) 10.785 3.986 ( 2.992 1.002 0.012) 3.156 4.877 ( 4.546 -2.800 -8.187) 9.774 5.328 ( 2.522 0.839 2.043) 3.352 5.667 ( 0.999 1.808 4.051) 4.547 5.841 ( -0.065 1.635 1.446) 2.184 6.813 ( -0.309 -3.056 0.140) 3.075 6.942 ( 3.334 -0.374 -5.080) 6.088 9.375 ( -3.636 1.755 8.065) 9.019 10.827 ( -1.958 0.594 5.636) 5.996 11.631 ( 1.180 -0.771 -4.038) 4.277 11.821 ( 3.939 2.367 -8.379) 9.556 12.478 ( 1.928 -5.923 -1.726) 6.463 12.645 ( -1.304 1.713 4.941) 5.389 13.001 ( 0.222 1.181 2.373) 2.660 13.324 ( -0.889 -2.451 0.534) 2.662 ======================= Grid point 206 (104/201) ======================= q-point: ( 0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -4.063 2.225 0.469) 4.656 1.669 ( 8.639 -6.723 3.065) 11.368 2.101 ( 2.118 6.205 -6.881) 9.505 2.122 ( -1.663 -0.608 4.856) 5.169 2.342 ( -4.019 -4.418 -5.391) 8.046 2.778 ( -1.959 4.817 -5.870) 7.842 3.175 ( 4.880 -5.839 3.093) 8.214 3.386 ( 5.690 -0.386 7.182) 9.171 3.653 ( 2.089 -10.821 3.991) 11.721 3.971 ( -0.675 2.586 0.872) 2.811 4.951 ( 5.259 -4.431 -9.509) 11.735 5.341 ( 2.013 1.846 1.763) 3.251 5.638 ( -0.948 3.084 2.770) 4.252 5.818 ( 1.314 3.174 1.452) 3.730 6.859 ( 2.005 -1.760 -4.057) 4.856 6.975 ( 0.953 -2.906 -1.051) 3.234 9.336 ( -3.514 2.471 7.939) 9.027 10.820 ( -1.712 0.799 4.986) 5.331 11.643 ( 1.748 -1.018 -4.694) 5.111 11.775 ( 3.582 3.325 -7.792) 9.198 12.608 ( 0.864 -7.872 -1.433) 8.048 12.619 ( -1.419 1.715 4.645) 5.151 12.985 ( 0.456 2.360 2.010) 3.133 13.370 ( -0.857 -3.409 1.644) 3.881 ======================= Grid point 207 (105/201) ======================= q-point: (-0.50 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -3.773 2.615 2.083) 5.041 1.840 ( 1.563 -1.431 3.182) 3.823 2.008 ( 5.513 1.731 -5.046) 7.671 2.189 ( 4.583 -2.298 4.342) 6.718 2.343 ( -5.232 -4.826 -5.598) 9.056 2.675 ( -2.588 2.760 -1.180) 3.963 3.283 ( 1.153 -1.643 0.550) 2.081 3.448 ( 4.713 2.709 3.587) 6.512 3.778 ( -4.624 0.391 4.356) 6.365 3.944 ( 0.722 -2.130 2.118) 3.090 5.036 ( 5.315 -3.973 -10.516) 12.435 5.324 ( 0.621 2.626 0.860) 2.832 5.599 ( -1.522 0.614 1.935) 2.537 5.771 ( 0.899 4.802 1.335) 5.064 6.871 ( 3.412 0.645 -6.559) 7.421 7.036 ( -0.766 -3.346 1.813) 3.882 9.298 ( -3.372 1.766 7.909) 8.778 10.811 ( -1.605 0.578 4.305) 4.631 11.655 ( 2.869 -0.572 -7.318) 7.881 11.732 ( 2.601 2.002 -5.305) 6.238 12.589 ( -1.610 1.901 4.763) 5.375 12.738 ( -0.693 -7.722 -1.134) 7.835 12.950 ( 0.908 4.035 1.488) 4.395 13.421 ( -0.923 -2.619 2.517) 3.747 ======================= Grid point 208 (106/201) ======================= q-point: (-0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -3.664 2.942 7.639) 8.968 1.806 ( -2.444 3.525 6.200) 7.539 2.090 ( 5.671 -2.787 0.101) 6.319 2.303 ( -0.538 -2.109 -0.783) 2.313 2.359 ( 1.940 -5.655 -4.313) 7.371 2.618 ( -3.159 0.613 2.841) 4.293 3.263 ( -0.184 2.610 -4.162) 4.916 3.421 ( 0.498 7.165 2.386) 7.568 3.647 ( -4.258 7.928 4.953) 10.272 4.013 ( 0.892 -1.107 1.427) 2.014 5.079 ( 4.545 -0.196 -11.041) 11.941 5.286 ( -0.429 1.844 -0.110) 1.896 5.608 ( -1.911 -1.828 3.118) 4.088 5.710 ( 0.018 2.337 -0.012) 2.337 6.861 ( 3.130 1.145 -6.408) 7.223 7.064 ( -0.971 0.237 2.572) 2.760 9.283 ( -3.302 -0.032 8.019) 8.673 10.806 ( -1.675 0.131 3.931) 4.275 11.658 ( 4.121 -0.127 -9.777) 10.611 11.723 ( 1.243 -0.394 -2.975) 3.248 12.569 ( -2.005 0.591 4.780) 5.217 12.830 ( -1.420 -5.365 -0.169) 5.553 12.879 ( 1.209 6.759 0.443) 6.880 13.450 ( -1.062 -0.694 2.662) 2.949 ======================= Grid point 209 (107/201) ======================= q-point: (-0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -5.566 1.441 12.847) 14.074 1.777 ( 0.744 2.584 8.316) 8.739 2.175 ( -1.802 -0.577 4.216) 4.621 2.285 ( 0.006 -0.423 0.787) 0.894 2.418 ( -2.661 -2.956 -6.638) 7.739 2.640 ( 1.777 -1.571 5.893) 6.353 3.181 ( -2.807 7.518 -3.129) 8.614 3.236 ( -0.709 9.470 0.498) 9.509 3.552 ( 3.189 4.964 0.542) 5.925 3.988 ( 0.457 4.948 -0.163) 4.971 5.038 ( 3.215 4.012 -10.088) 11.323 5.264 ( -0.601 -0.057 -0.668) 0.900 5.601 ( -1.755 1.906 5.054) 5.680 5.738 ( -1.138 -5.943 -1.832) 6.323 6.848 ( 2.749 0.949 -5.594) 6.305 7.030 ( -0.812 4.047 2.801) 4.989 9.301 ( -3.333 -1.856 8.214) 9.057 10.807 ( -1.865 -0.322 4.030) 4.453 11.664 ( 3.531 -0.349 -8.071) 8.817 11.738 ( 1.418 -1.826 -4.679) 5.219 12.572 ( -2.172 -0.975 4.879) 5.429 12.753 ( 1.051 9.786 -0.637) 9.863 12.891 ( -0.964 -3.481 0.791) 3.697 13.443 ( -1.200 1.425 1.978) 2.717 ======================= Grid point 210 (108/201) ======================= q-point: (-0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -7.446 -0.590 15.440) 17.152 1.782 ( -1.109 4.894 12.840) 13.786 2.111 ( -6.264 -1.986 -3.825) 7.604 2.335 ( 1.857 1.029 4.750) 5.203 2.401 ( -0.831 -2.815 -5.550) 6.279 2.711 ( 3.028 1.461 11.256) 11.748 2.907 ( -2.159 16.297 3.839) 16.881 3.205 ( 4.026 -1.143 -9.493) 10.374 3.506 ( 2.976 6.055 -2.324) 7.136 3.905 ( 2.417 4.611 -1.479) 5.412 4.947 ( 2.403 5.040 -8.439) 10.119 5.265 ( -0.483 -0.817 0.014) 0.949 5.586 ( -0.610 0.856 4.738) 4.853 5.813 ( -2.138 -5.477 -1.021) 5.967 6.838 ( 2.327 1.307 -3.836) 4.673 6.958 ( -0.037 4.544 1.435) 4.765 9.340 ( -3.429 -2.597 8.351) 9.394 10.813 ( -2.090 -0.619 4.616) 5.105 11.664 ( 1.791 0.220 -5.362) 5.657 11.771 ( 2.733 -2.699 -7.225) 8.183 12.580 ( 0.262 6.523 0.393) 6.540 12.607 ( -1.123 1.866 3.146) 3.826 12.936 ( -0.285 -2.242 1.829) 2.908 13.400 ( -1.255 2.710 0.846) 3.104 ======================= Grid point 213 (109/201) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 8.644 0.000 5.022) 9.997 1.656 ( -2.004 -0.000 2.158) 2.945 2.050 ( -5.078 -0.000 1.335) 5.251 2.245 ( 4.761 0.000 -14.057) 14.841 2.267 ( -2.933 -0.000 -0.067) 2.934 2.915 ( -0.035 -0.000 -9.217) 9.217 3.018 ( 2.208 0.000 3.408) 4.061 3.376 ( 7.078 0.000 7.685) 10.448 3.398 ( 5.522 0.000 6.122) 8.245 4.023 ( 0.623 0.000 1.930) 2.028 4.869 ( 5.269 0.000 -8.921) 10.361 5.376 ( 3.092 0.000 1.834) 3.595 5.721 ( 1.721 0.000 3.253) 3.680 5.857 ( -0.165 -0.000 2.025) 2.032 6.778 ( -1.388 -0.000 1.382) 1.959 6.957 ( 4.450 0.000 -6.669) 8.018 9.386 ( -3.742 -0.000 8.098) 8.921 10.838 ( -1.976 -0.000 6.003) 6.320 11.621 ( 1.365 0.000 -3.488) 3.745 11.846 ( 3.990 0.000 -8.666) 9.541 12.442 ( 2.140 0.000 -2.053) 2.965 12.670 ( -1.148 -0.000 4.844) 4.978 13.021 ( -0.092 -0.000 2.243) 2.245 13.297 ( -0.435 -0.000 0.555) 0.705 ======================= Grid point 214 (110/201) ======================= q-point: ( 0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -1.211 2.801 -1.379) 3.349 1.706 ( 9.506 -3.399 0.068) 10.096 2.054 ( -2.663 -4.875 1.671) 5.800 2.178 ( 0.637 4.794 -5.034) 6.981 2.265 ( 0.645 -0.469 -3.598) 3.685 2.808 ( -2.241 5.232 -5.847) 8.160 3.111 ( 0.091 -7.228 1.665) 7.418 3.475 ( 6.070 -0.181 6.012) 8.545 3.561 ( 5.505 -6.756 4.166) 9.659 4.005 ( -2.766 2.264 3.512) 5.011 4.907 ( 5.602 -2.646 -9.894) 11.674 5.402 ( 2.476 1.518 1.221) 3.150 5.710 ( 0.270 4.083 2.528) 4.810 5.869 ( 1.015 0.583 1.942) 2.268 6.801 ( -1.227 -3.712 0.966) 4.027 6.972 ( 4.091 0.264 -6.186) 7.421 9.369 ( -3.709 1.632 8.114) 9.070 10.838 ( -1.878 0.702 5.691) 6.034 11.628 ( 1.650 -0.673 -3.346) 3.791 11.828 ( 3.801 2.405 -8.586) 9.693 12.497 ( 1.448 -5.075 -2.293) 5.754 12.663 ( -1.202 1.804 4.767) 5.237 13.021 ( -0.212 0.858 1.952) 2.143 13.320 ( -0.188 -2.464 1.210) 2.752 ======================= Grid point 215 (111/201) ======================= q-point: (-0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.557 2.317 -0.264) 2.398 1.834 ( 1.731 -3.360 -1.266) 3.986 2.085 ( 3.688 3.778 -4.761) 7.109 2.153 ( 0.142 -5.699 -0.066) 5.701 2.259 ( 1.907 0.645 -0.215) 2.025 2.686 ( -3.748 3.437 -0.543) 5.114 3.226 ( -0.974 -5.973 -0.636) 6.086 3.543 ( 3.820 1.237 2.361) 4.658 3.733 ( 1.958 -5.656 3.293) 6.832 3.937 ( -4.614 2.038 5.142) 7.203 4.979 ( 5.515 -4.095 -10.421) 12.481 5.387 ( 1.147 3.101 0.186) 3.311 5.643 ( -0.481 4.514 2.597) 5.230 5.857 ( 0.936 3.450 1.363) 3.826 6.861 ( 0.633 -3.276 -2.030) 3.905 6.989 ( 1.841 -1.393 -2.974) 3.765 9.332 ( -3.559 2.297 8.091) 9.132 10.828 ( -1.745 1.006 4.940) 5.335 11.643 ( 2.019 -0.673 -4.316) 4.812 11.782 ( 3.484 3.169 -7.649) 8.983 12.601 ( 0.113 -7.165 -1.866) 7.405 12.633 ( -1.358 2.437 4.478) 5.276 13.008 ( -0.016 1.684 1.703) 2.395 13.374 ( -0.295 -3.280 2.089) 3.900 ======================= Grid point 216 (112/201) ======================= q-point: (-0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 2.781 3.480 3.482) 5.654 1.836 ( -3.294 -0.037 0.752) 3.379 2.100 ( 4.564 -1.502 -1.636) 5.075 2.179 ( -3.846 -2.605 -5.021) 6.840 2.349 ( 5.366 -2.924 2.956) 6.788 2.610 ( -4.304 1.211 3.709) 5.809 3.257 ( -1.306 -0.785 -3.997) 4.278 3.526 ( -0.074 4.455 0.254) 4.463 3.751 ( 0.172 4.548 2.767) 5.326 3.961 ( -2.995 -5.241 5.860) 8.413 5.051 ( 4.937 -3.073 -10.837) 12.299 5.336 ( 0.296 3.692 -0.486) 3.735 5.597 ( -0.490 1.564 2.726) 3.181 5.790 ( -0.121 5.622 1.072) 5.725 6.882 ( 2.676 0.447 -6.032) 6.614 7.035 ( -0.712 -3.250 1.386) 3.605 9.297 ( -3.406 1.621 8.024) 8.867 10.815 ( -1.674 0.812 4.244) 4.634 11.652 ( 2.937 -0.357 -7.141) 7.729 11.741 ( 2.556 2.092 -5.190) 6.152 12.594 ( -1.942 2.177 4.767) 5.589 12.713 ( -0.448 -7.053 -1.358) 7.196 12.976 ( 0.186 3.526 1.296) 3.761 13.428 ( -0.670 -2.277 2.656) 3.562 ======================= Grid point 217 (113/201) ======================= q-point: (-0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 2.671 5.955 6.111) 8.941 1.830 ( 0.532 -1.381 1.591) 2.173 2.128 ( -5.987 0.269 0.244) 5.998 2.207 ( -0.593 -6.311 -0.741) 6.382 2.372 ( -3.397 1.860 3.188) 5.016 2.639 ( 2.349 -3.743 3.955) 5.930 3.219 ( 1.621 1.793 -6.278) 6.727 3.390 ( -3.855 9.504 1.260) 10.333 3.701 ( 5.026 5.757 1.292) 7.750 4.011 ( -3.549 -1.561 4.220) 5.730 5.071 ( 4.224 0.792 -11.154) 11.953 5.283 ( 0.196 2.560 0.132) 2.571 5.610 ( -0.739 -1.708 3.708) 4.149 5.702 ( -0.678 3.740 0.028) 3.801 6.867 ( 2.756 1.035 -6.647) 7.270 7.066 ( -1.066 -0.126 2.485) 2.707 9.284 ( -3.341 -0.126 7.962) 8.635 10.806 ( -1.684 0.317 3.948) 4.304 11.658 ( 4.060 -0.519 -9.692) 10.521 11.722 ( 1.244 0.471 -3.065) 3.341 12.569 ( -2.056 0.716 4.791) 5.262 12.809 ( -0.430 -5.561 0.077) 5.579 12.899 ( 0.243 6.685 0.338) 6.697 13.451 ( -1.091 -0.166 2.595) 2.820 ======================= Grid point 218 (114/201) ======================= q-point: (-0.12 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.138 5.387 7.324) 9.340 1.897 ( 2.846 1.451 6.370) 7.126 1.990 ( -11.138 1.095 -0.964) 11.233 2.229 ( -7.274 -4.835 -3.870) 9.554 2.408 ( 3.139 -1.970 5.223) 6.404 2.749 ( 2.793 -3.838 1.723) 5.049 3.151 ( 0.152 11.441 2.433) 11.698 3.220 ( 1.823 3.008 -3.521) 4.977 3.667 ( 6.324 7.167 -0.074) 9.558 3.979 ( -2.014 2.463 1.766) 3.639 5.018 ( 3.679 4.502 -10.196) 11.738 5.265 ( 0.449 0.468 1.198) 1.362 5.616 ( -1.255 1.457 4.524) 4.915 5.712 ( 0.054 -4.661 -0.644) 4.706 6.855 ( 2.903 0.450 -6.427) 7.066 7.035 ( -0.922 3.675 2.508) 4.544 9.302 ( -3.377 -1.906 7.970) 8.863 10.805 ( -1.752 -0.239 4.174) 4.533 11.664 ( 3.270 0.017 -7.998) 8.641 11.728 ( 1.751 -1.716 -4.909) 5.487 12.572 ( -1.865 -1.037 4.851) 5.300 12.763 ( 0.312 9.632 -0.447) 9.648 12.891 ( 0.168 -4.015 1.173) 4.186 13.433 ( -1.329 2.016 1.945) 3.100 ======================= Grid point 222 (115/201) ======================= q-point: (-0.62 -0.62 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.414 -0.000 -6.889) 6.901 1.732 ( 0.341 0.000 0.259) 0.429 2.033 ( 6.930 0.000 0.837) 6.980 2.213 ( 1.071 0.000 -6.581) 6.668 2.261 ( 0.345 0.000 3.882) 3.897 2.833 ( 0.012 0.000 -6.794) 6.794 3.001 ( -5.862 -0.000 3.944) 7.066 3.567 ( 5.337 0.000 1.774) 5.624 3.578 ( 5.666 0.000 2.892) 6.361 4.004 ( -5.502 -0.000 6.217) 8.302 4.898 ( 5.465 0.000 -10.657) 11.977 5.444 ( 1.807 0.000 0.312) 1.833 5.765 ( 0.556 0.000 0.877) 1.038 5.893 ( 1.305 0.000 3.332) 3.579 6.756 ( -2.134 -0.000 2.260) 3.108 6.992 ( 4.381 0.000 -7.230) 8.454 9.379 ( -3.835 -0.000 8.305) 9.147 10.850 ( -2.014 -0.000 5.937) 6.269 11.628 ( 1.815 0.000 -2.591) 3.164 11.849 ( 3.685 0.000 -8.841) 9.578 12.459 ( 1.324 0.000 -2.723) 3.028 12.687 ( -1.378 -0.000 4.724) 4.921 13.030 ( -0.752 -0.000 1.648) 1.812 13.305 ( 0.411 0.000 1.142) 1.214 ======================= Grid point 223 (116/201) ======================= q-point: (-0.50 -0.62 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.704 -0.199 -5.088) 5.140 1.730 ( -6.443 -3.795 -0.343) 7.486 2.154 ( 10.388 0.322 -4.833) 11.461 2.165 ( 1.122 2.330 1.638) 3.061 2.295 ( 2.210 -0.343 2.515) 3.365 2.718 ( -3.720 6.211 -0.221) 7.243 3.062 ( -4.418 -9.744 0.037) 10.699 3.595 ( 2.233 1.032 -0.678) 2.552 3.687 ( 3.324 -4.595 0.830) 5.731 3.944 ( -7.086 2.359 7.515) 10.595 4.931 ( 5.146 -2.863 -10.860) 12.354 5.439 ( 0.635 2.055 -0.845) 2.311 5.731 ( 0.013 4.174 1.192) 4.341 5.917 ( 1.492 1.518 2.957) 3.643 6.780 ( -1.966 -4.274 2.208) 5.197 6.997 ( 3.481 0.658 -6.928) 7.781 9.362 ( -3.789 1.496 8.421) 9.355 10.847 ( -2.014 0.801 5.535) 5.944 11.640 ( 1.924 -0.302 -2.663) 3.299 11.829 ( 3.547 2.189 -8.522) 9.487 12.496 ( 0.614 -4.503 -2.804) 5.340 12.676 ( -1.738 1.867 4.723) 5.368 13.025 ( -0.907 0.319 1.410) 1.706 13.336 ( 0.502 -2.243 1.544) 2.769 ======================= Grid point 224 (117/201) ======================= q-point: (-0.38 -0.62 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.696 -1.641 2.598) 4.087 1.713 ( -7.851 -5.006 -2.974) 9.775 2.132 ( 1.914 1.171 -0.238) 2.256 2.185 ( 4.001 4.984 -3.971) 7.524 2.375 ( 4.043 -1.960 3.193) 5.512 2.606 ( -4.980 2.326 5.647) 7.880 3.159 ( -2.442 -6.844 -3.607) 8.113 3.565 ( -1.590 2.361 -2.286) 3.650 3.789 ( 1.788 -3.316 0.202) 3.773 3.875 ( -6.955 -0.628 7.900) 10.544 4.996 ( 4.830 -4.031 -10.648) 12.367 5.389 ( -0.172 3.257 -1.527) 3.601 5.664 ( 0.017 4.411 2.140) 4.903 5.886 ( 0.514 5.076 2.044) 5.496 6.851 ( -0.382 -4.306 -0.574) 4.361 6.993 ( 1.309 -0.684 -4.066) 4.326 9.329 ( -3.635 2.149 8.377) 9.381 10.833 ( -1.902 1.140 4.789) 5.277 11.650 ( 2.218 -0.024 -4.231) 4.777 11.787 ( 3.248 2.825 -7.246) 8.428 12.584 ( 0.040 -6.774 -2.031) 7.072 12.637 ( -2.032 2.508 4.477) 5.519 13.012 ( -0.883 0.933 1.303) 1.830 13.392 ( 0.045 -2.806 2.153) 3.538 ======================= Grid point 225 (118/201) ======================= q-point: (-0.25 -0.62 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -1.354 1.211 5.428) 5.724 1.741 ( 0.948 -5.550 -3.963) 6.885 2.114 ( -0.611 2.515 -2.221) 3.411 2.148 ( -1.295 0.631 3.177) 3.488 2.376 ( -4.926 1.575 4.897) 7.122 2.629 ( 2.304 -2.623 5.323) 6.366 3.202 ( 0.956 -2.725 -6.015) 6.672 3.463 ( -3.831 5.068 -1.920) 6.636 3.818 ( 3.612 1.469 0.288) 3.910 3.908 ( -7.240 -6.074 6.509) 11.475 5.055 ( 4.533 -2.459 -10.608) 11.795 5.330 ( 0.053 2.814 -1.296) 3.099 5.621 ( -0.175 1.802 3.091) 3.583 5.790 ( -0.486 6.916 1.043) 7.011 6.875 ( 1.821 0.133 -6.028) 6.298 7.029 ( -1.036 -3.571 1.462) 3.996 9.296 ( -3.491 1.544 8.172) 9.019 10.816 ( -1.761 0.902 4.182) 4.626 11.652 ( 3.109 -0.005 -7.218) 7.859 11.748 ( 2.341 2.206 -4.967) 5.917 12.591 ( -2.271 2.087 4.818) 5.721 12.699 ( 0.337 -7.285 -1.169) 7.386 12.978 ( -0.963 3.037 0.967) 3.330 13.438 ( -0.632 -1.653 2.579) 3.128 ======================= Grid point 226 (119/201) ======================= q-point: (-0.12 -0.62 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.651 3.150 1.751) 3.663 1.837 ( 2.748 -4.687 -3.841) 6.654 2.023 ( -9.774 7.440 6.624) 13.956 2.088 ( -2.749 -1.495 1.621) 3.525 2.404 ( 0.987 -3.734 4.359) 5.824 2.714 ( 1.090 -2.655 0.980) 3.033 3.236 ( 4.003 -1.402 -4.097) 5.897 3.319 ( -2.512 7.244 0.815) 7.710 3.835 ( 6.351 3.911 -0.569) 7.480 3.932 ( -7.809 -3.714 5.337) 10.161 5.067 ( 4.638 1.322 -10.797) 11.825 5.293 ( 0.310 1.545 0.332) 1.611 5.634 ( -1.057 -1.015 4.520) 4.751 5.689 ( 0.063 3.492 -0.738) 3.569 6.860 ( 2.517 0.371 -7.037) 7.483 7.064 ( -1.165 -0.441 2.512) 2.804 9.283 ( -3.402 -0.148 7.944) 8.643 10.806 ( -1.654 0.318 3.997) 4.337 11.657 ( 4.061 -0.597 -9.700) 10.533 11.722 ( 1.298 1.046 -3.081) 3.503 12.568 ( -2.019 0.427 4.803) 5.228 12.815 ( 0.724 -6.055 0.472) 6.116 12.894 ( -0.866 6.236 0.094) 6.297 13.450 ( -1.139 0.463 2.578) 2.856 ======================= Grid point 231 (120/201) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.310 0.000 -11.486) 11.490 1.633 ( -9.343 -0.000 7.958) 12.272 2.178 ( -1.491 -0.000 0.217) 1.507 2.289 ( 11.890 0.000 -0.293) 11.893 2.329 ( 3.387 0.000 3.151) 4.626 2.789 ( -0.504 -0.000 -3.347) 3.385 2.858 ( -10.411 -0.000 4.157) 11.210 3.619 ( 0.701 0.000 -3.662) 3.728 3.667 ( 1.650 0.000 -0.848) 1.855 3.916 ( -8.310 -0.000 7.809) 11.403 4.907 ( 4.354 0.000 -10.864) 11.704 5.455 ( 0.205 0.000 -2.111) 2.121 5.760 ( -0.991 -0.000 -0.795) 1.270 5.972 ( 2.256 0.000 4.916) 5.409 6.730 ( -2.557 -0.000 3.447) 4.292 7.006 ( 2.946 0.000 -7.709) 8.253 9.372 ( -3.869 -0.000 8.734) 9.552 10.857 ( -2.231 -0.000 5.686) 6.108 11.649 ( 1.893 0.000 -1.909) 2.689 11.846 ( 3.458 0.000 -8.747) 9.406 12.450 ( 0.291 0.000 -3.106) 3.120 12.692 ( -2.167 -0.000 4.813) 5.279 13.019 ( -1.383 -0.000 1.097) 1.765 13.332 ( 0.947 0.000 1.194) 1.524 ======================= Grid point 232 (121/201) ======================= q-point: (-0.38 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -0.869 -5.619 -9.157) 10.778 1.590 ( -7.908 -1.887 12.339) 14.777 2.159 ( -0.896 0.708 1.650) 2.006 2.323 ( 4.215 4.892 -0.696) 6.495 2.412 ( 4.880 1.199 0.284) 5.033 2.636 ( -5.091 4.357 6.513) 9.345 2.949 ( -5.215 -11.865 -1.658) 13.066 3.571 ( -1.505 2.509 -3.901) 4.876 3.713 ( -0.550 -4.580 -2.167) 5.097 3.845 ( -7.453 1.199 5.973) 9.626 4.932 ( 3.946 -3.401 -10.289) 11.533 5.424 ( -0.161 2.254 -2.824) 3.617 5.720 ( -1.517 2.379 -0.346) 2.843 5.987 ( 1.664 3.763 4.320) 5.966 6.760 ( -2.063 -4.624 3.199) 5.990 6.990 ( 1.708 0.739 -7.223) 7.459 9.359 ( -3.776 1.436 8.854) 9.732 10.850 ( -2.252 0.832 5.281) 5.801 11.659 ( 1.888 0.161 -2.426) 3.078 11.828 ( 3.366 1.865 -8.244) 9.098 12.476 ( 0.061 -4.649 -2.920) 5.490 12.672 ( -2.563 1.872 4.887) 5.827 13.009 ( -1.511 -0.095 1.010) 1.820 13.364 ( 0.689 -1.900 1.330) 2.419 ======================= Grid point 233 (122/201) ======================= q-point: (-0.25 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -7.996 -4.208 3.268) 9.608 1.697 ( 1.611 -7.418 6.628) 10.077 2.136 ( -3.283 3.282 0.868) 4.722 2.234 ( 3.493 5.891 -2.564) 7.313 2.368 ( -5.384 2.042 4.973) 7.608 2.655 ( 2.685 -0.846 6.455) 7.042 3.075 ( -2.189 -9.825 -3.987) 10.827 3.478 ( -2.971 3.553 -3.764) 5.968 3.743 ( -9.493 -4.575 4.146) 11.324 3.830 ( 1.425 -3.090 -1.118) 3.582 4.997 ( 3.991 -4.366 -9.876) 11.512 5.365 ( -0.133 2.768 -2.585) 3.790 5.661 ( -1.842 2.415 1.056) 3.216 5.921 ( 0.564 7.544 2.535) 7.979 6.837 ( -0.298 -4.164 -0.647) 4.224 6.971 ( -0.067 -1.435 -3.270) 3.572 9.328 ( -3.628 2.153 8.695) 9.664 10.832 ( -2.084 1.117 4.614) 5.184 11.660 ( 2.338 0.560 -4.544) 5.141 11.790 ( 2.947 2.528 -6.796) 7.827 12.571 ( 0.509 -7.610 -2.069) 7.903 12.628 ( -2.671 2.480 4.785) 6.015 12.994 ( -1.683 0.576 0.992) 2.037 13.411 ( -0.050 -2.274 1.861) 2.939 ======================= Grid point 234 (123/201) ======================= q-point: (-0.12 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -7.257 -4.193 4.571) 9.547 1.853 ( 1.514 -4.489 6.260) 7.850 1.980 ( -7.637 4.923 1.561) 9.219 2.204 ( 5.201 6.698 0.175) 8.482 2.358 ( -0.859 -3.857 4.147) 5.728 2.706 ( 0.231 -0.169 2.057) 2.077 3.187 ( 1.513 -6.500 -3.356) 7.469 3.373 ( -2.109 3.397 -2.421) 4.674 3.749 ( -11.618 -7.549 6.350) 15.241 3.905 ( 4.244 -2.123 -2.315) 5.280 5.056 ( 4.270 -2.622 -9.984) 11.171 5.317 ( -0.009 1.749 -1.855) 2.549 5.626 ( -2.000 0.026 3.202) 3.775 5.792 ( -0.088 8.430 0.286) 8.435 6.856 ( 1.687 -0.167 -6.165) 6.394 7.021 ( -1.170 -4.241 2.277) 4.954 9.296 ( -3.483 1.599 8.336) 9.175 10.815 ( -1.834 0.788 4.098) 4.559 11.655 ( 3.336 0.299 -7.528) 8.239 11.751 ( 2.026 2.266 -4.730) 5.622 12.585 ( -2.414 1.726 4.873) 5.705 12.707 ( 1.203 -8.215 -0.907) 8.352 12.954 ( -1.848 2.769 0.651) 3.392 13.446 ( -0.776 -1.131 2.401) 2.765 ======================= Grid point 240 (124/201) ======================= q-point: (-0.38 -0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.272 0.000 -7.641) 7.646 1.542 ( -9.262 -0.000 18.207) 20.428 2.156 ( -2.036 -0.000 3.374) 3.941 2.381 ( 1.101 0.000 2.277) 2.529 2.537 ( 7.590 0.000 -0.966) 7.651 2.645 ( -11.878 -0.000 3.457) 12.371 2.720 ( -5.572 -0.000 4.114) 6.926 3.558 ( -1.753 -0.000 -8.221) 8.406 3.642 ( -1.731 -0.000 -3.667) 4.055 3.803 ( -5.915 -0.000 4.542) 7.457 4.893 ( 2.973 0.000 -9.288) 9.752 5.427 ( 0.038 0.000 -4.039) 4.039 5.710 ( -2.799 -0.000 -1.040) 2.987 6.061 ( 1.571 0.000 4.599) 4.860 6.713 ( -2.108 -0.000 4.235) 4.730 6.977 ( 0.858 0.000 -7.602) 7.650 9.371 ( -3.725 -0.000 9.182) 9.909 10.856 ( -2.493 -0.000 5.404) 5.952 11.671 ( 1.585 0.000 -1.811) 2.406 11.841 ( 3.369 0.000 -8.562) 9.201 12.420 ( -0.278 -0.000 -2.994) 3.006 12.682 ( -2.909 -0.000 5.077) 5.851 12.994 ( -1.627 -0.000 0.896) 1.857 13.361 ( 0.789 0.000 0.686) 1.045 ======================= Grid point 241 (125/201) ======================= q-point: (-0.25 -0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -3.061 -2.017 3.198) 4.865 1.603 ( -4.145 -7.016 16.195) 18.130 2.150 ( -2.824 0.932 4.401) 5.312 2.338 ( -7.036 9.552 0.582) 11.878 2.387 ( 0.593 1.540 1.584) 2.288 2.710 ( 2.590 0.254 5.713) 6.277 2.799 ( -7.949 -15.776 2.250) 17.808 3.468 ( -3.746 1.588 -9.314) 10.165 3.616 ( -4.659 -1.521 -2.565) 5.531 3.781 ( -0.554 -1.336 0.420) 1.506 4.919 ( 2.886 -4.034 -8.574) 9.905 5.391 ( 0.078 1.985 -4.072) 4.530 5.662 ( -3.397 1.076 -0.115) 3.566 6.048 ( 0.435 5.125 2.799) 5.856 6.754 ( -1.234 -4.597 3.390) 5.844 6.944 ( 0.027 0.256 -6.167) 6.172 9.361 ( -3.600 1.519 9.181) 9.978 10.846 ( -2.479 0.784 5.060) 5.689 11.675 ( 1.626 0.434 -2.746) 3.221 11.825 ( 3.196 1.608 -8.011) 8.774 12.451 ( 0.087 -5.485 -2.691) 6.110 12.657 ( -2.985 1.799 5.136) 6.207 12.982 ( -1.672 -0.070 0.987) 1.943 13.385 ( 0.271 -1.670 0.738) 1.846 ======================= Grid point 242 (126/201) ======================= q-point: (-0.12 -0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -4.718 -1.664 10.335) 11.482 1.755 ( -7.005 -6.705 14.206) 17.200 2.032 ( -4.249 5.464 5.141) 8.623 2.290 ( 2.098 -3.756 0.106) 4.303 2.361 ( 2.340 3.751 0.030) 4.421 2.718 ( -2.007 0.766 2.203) 3.078 3.014 ( -2.130 -14.155 3.197) 14.667 3.359 ( -4.436 0.820 -8.020) 9.201 3.567 ( -6.779 -1.503 1.490) 7.102 3.851 ( 2.254 -6.036 -2.951) 7.087 4.990 ( 3.186 -4.860 -8.817) 10.560 5.337 ( -0.020 2.233 -3.430) 4.093 5.614 ( -3.349 0.421 2.102) 3.976 5.936 ( -0.833 8.676 0.342) 8.723 6.827 ( 0.498 -2.807 -2.180) 3.589 6.944 ( -0.591 -3.611 -0.239) 3.666 9.331 ( -3.503 2.317 8.864) 9.809 10.827 ( -2.219 0.952 4.474) 5.084 11.668 ( 2.356 0.773 -5.036) 5.613 11.789 ( 2.573 2.368 -6.623) 7.489 12.569 ( 0.999 -9.013 -2.043) 9.296 12.613 ( -2.717 2.277 5.053) 6.173 12.963 ( -1.860 0.840 0.978) 2.263 13.421 ( -0.473 -2.045 1.405) 2.525 ======================= Grid point 249 (127/201) ======================= q-point: (-0.25 -0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.566 0.000 3.861) 3.902 1.577 ( -5.550 -0.000 23.636) 24.279 2.154 ( -1.486 -0.000 4.982) 5.199 2.400 ( -2.218 -0.000 2.666) 3.468 2.438 ( -7.773 -0.000 -0.303) 7.779 2.463 ( -13.614 -0.000 10.966) 17.481 2.767 ( 3.150 0.000 3.746) 4.895 3.369 ( -5.926 -0.000 -11.377) 12.828 3.543 ( -3.234 -0.000 -5.122) 6.057 3.795 ( 3.648 0.000 -3.101) 4.788 4.873 ( 2.096 0.000 -6.950) 7.259 5.388 ( 0.053 0.000 -4.796) 4.796 5.629 ( -3.982 -0.000 0.283) 3.992 6.100 ( -0.969 -0.000 1.036) 1.418 6.719 ( -0.897 -0.000 4.239) 4.332 6.917 ( -0.222 -0.000 -5.711) 5.715 9.378 ( -3.466 -0.000 9.332) 9.955 10.848 ( -2.697 -0.000 5.233) 5.888 11.681 ( 1.083 0.000 -2.318) 2.559 11.836 ( 3.283 0.000 -8.477) 9.091 12.390 ( -0.117 -0.000 -2.508) 2.511 12.663 ( -3.010 -0.000 5.291) 6.087 12.970 ( -1.385 -0.000 1.180) 1.819 13.374 ( 0.107 0.000 -0.036) 0.113 ======================= Grid point 250 (128/201) ======================= q-point: (-0.12 -0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -1.336 -0.288 12.240) 12.316 1.662 ( -7.159 -3.691 19.449) 21.051 2.109 ( -5.595 5.960 12.856) 15.235 2.255 ( 0.810 -0.787 -1.968) 2.269 2.404 ( -0.465 0.111 0.106) 0.490 2.601 ( -10.621 -13.103 8.442) 18.861 2.823 ( -0.298 -4.465 3.308) 5.565 3.262 ( -3.465 0.221 -10.965) 11.501 3.514 ( -1.986 -2.197 -5.330) 6.097 3.807 ( 3.870 0.272 -4.478) 5.925 4.903 ( 2.141 -4.230 -6.965) 8.425 5.351 ( -0.365 1.610 -4.253) 4.562 5.589 ( -3.578 0.125 1.926) 4.066 6.034 ( -2.752 5.212 -0.961) 5.972 6.767 ( -0.162 -3.835 2.566) 4.617 6.900 ( 0.305 -0.900 -3.276) 3.411 9.369 ( -3.422 1.695 9.142) 9.908 10.836 ( -2.598 0.681 4.981) 5.659 11.678 ( 1.263 0.310 -3.385) 3.627 11.819 ( 3.013 1.563 -7.999) 8.689 12.435 ( 0.555 -6.446 -2.304) 6.868 12.641 ( -2.795 1.701 5.239) 6.177 12.960 ( -1.269 0.337 1.391) 1.913 13.387 ( -0.419 -1.698 0.126) 1.754 ======================= Grid point 258 (129/201) ======================= q-point: (-0.12 -0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.067 -0.000 14.992) 15.030 1.647 ( -9.422 -0.000 19.726) 21.860 2.200 ( 2.067 0.000 4.336) 4.803 2.297 ( -11.889 -0.000 26.622) 29.156 2.335 ( 1.328 0.000 -5.186) 5.354 2.375 ( -3.672 -0.000 0.198) 3.678 2.792 ( -3.365 -0.000 -0.000) 3.365 3.216 ( 3.161 0.000 -10.461) 10.928 3.426 ( -3.128 -0.000 -4.728) 5.669 3.847 ( 5.354 0.000 -8.656) 10.178 4.857 ( 1.585 0.000 -5.432) 5.658 5.339 ( -0.962 -0.000 -3.800) 3.920 5.564 ( -2.825 -0.000 2.708) 3.913 6.028 ( -4.706 -0.000 -2.022) 5.122 6.746 ( 0.028 0.000 3.495) 3.495 6.886 ( 1.340 0.000 -3.339) 3.598 9.388 ( -3.374 -0.000 9.035) 9.644 10.836 ( -2.729 -0.000 5.268) 5.933 11.675 ( 0.655 0.000 -3.165) 3.232 11.830 ( 3.263 0.000 -8.390) 9.002 12.374 ( 0.619 0.000 -1.920) 2.018 12.650 ( -2.661 -0.000 5.312) 5.941 12.960 ( -0.736 -0.000 1.810) 1.954 13.365 ( -0.646 -0.000 -0.554) 0.851 ======================= Grid point 259 (130/201) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 9.719 0.000 -19.993) 22.230 1.864 ( -13.991 -0.000 14.318) 20.019 1.897 ( -5.528 -0.000 8.902) 10.479 2.261 ( -4.436 -0.000 0.765) 4.502 2.475 ( -6.451 -0.000 -2.510) 6.922 2.711 ( 5.526 0.000 9.879) 11.320 2.790 ( 3.593 0.000 -9.228) 9.903 3.191 ( 2.408 0.000 10.167) 10.448 3.364 ( -1.268 -0.000 4.374) 4.554 3.731 ( 7.939 0.000 -7.322) 10.800 4.686 ( 2.354 0.000 -8.933) 9.238 5.325 ( -0.520 -0.000 3.695) 3.731 5.662 ( 1.146 0.000 3.885) 4.051 5.899 ( -1.597 -0.000 -0.869) 1.818 6.829 ( -1.016 -0.000 2.471) 2.671 6.830 ( 0.771 0.000 -2.863) 2.965 9.530 ( -2.080 -0.000 4.524) 4.979 10.976 ( -3.540 -0.000 8.581) 9.282 11.578 ( 0.115 0.000 -3.203) 3.205 11.637 ( 4.285 0.000 -10.021) 10.899 12.362 ( 1.098 0.000 -0.463) 1.192 12.743 ( -1.690 -0.000 3.943) 4.289 13.020 ( 0.189 0.000 2.035) 2.044 13.322 ( -0.570 -0.000 -0.987) 1.140 ======================= Grid point 260 (131/201) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -6.903 4.986 3.692) 9.281 1.871 ( -5.521 -4.517 -3.307) 7.862 1.938 ( 0.456 -1.198 4.489) 4.668 2.239 ( -2.678 -1.221 1.476) 3.293 2.415 ( -5.434 -2.122 -2.337) 6.284 2.765 ( 2.794 1.970 -10.251) 10.806 2.866 ( 6.910 -5.547 5.704) 10.538 3.264 ( 3.749 -0.141 9.100) 9.843 3.445 ( 1.211 -6.856 4.665) 8.381 3.812 ( 8.205 -2.223 -5.549) 10.151 4.691 ( 2.586 -2.417 -9.280) 9.932 5.338 ( 0.274 0.404 4.302) 4.329 5.697 ( 0.798 -0.447 3.796) 3.904 5.853 ( -0.575 3.447 -0.626) 3.550 6.783 ( 0.923 2.209 -2.376) 3.372 6.901 ( -0.521 -5.363 1.071) 5.494 9.512 ( -2.106 1.850 4.534) 5.331 10.965 ( -3.216 1.452 8.224) 8.949 11.558 ( 1.586 1.436 -4.988) 5.427 11.633 ( 3.297 0.275 -8.108) 8.757 12.429 ( 1.170 -6.653 -0.662) 6.788 12.728 ( -1.377 1.820 3.803) 4.435 13.021 ( 0.253 1.321 1.855) 2.291 13.341 ( -0.583 -3.254 -0.285) 3.318 ======================= Grid point 261 (132/201) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -1.924 0.436 3.452) 3.976 1.846 ( -9.777 -3.699 3.943) 11.173 1.972 ( 2.359 0.614 -0.091) 2.439 2.225 ( -2.324 1.357 3.347) 4.294 2.402 ( -4.908 -4.285 -3.382) 7.341 2.707 ( 1.371 2.363 -7.107) 7.614 3.072 ( 6.279 -7.904 1.973) 10.285 3.350 ( 4.448 0.235 6.344) 7.752 3.630 ( 5.089 -8.542 2.829) 10.338 3.907 ( 3.460 -3.322 -3.056) 5.688 4.733 ( 3.315 -3.946 -9.547) 10.849 5.354 ( 0.426 0.739 4.402) 4.484 5.702 ( -1.370 2.405 2.751) 3.902 5.793 ( 1.445 2.968 -0.209) 3.308 6.754 ( 1.875 1.444 -3.664) 4.362 6.995 ( -0.759 -5.839 1.587) 6.098 9.471 ( -2.071 2.637 4.609) 5.700 10.939 ( -2.737 1.875 7.214) 7.940 11.516 ( 3.532 3.239 -8.563) 9.813 11.635 ( 1.764 -0.698 -4.330) 4.727 12.579 ( 0.539 -10.132 -0.722) 10.172 12.696 ( -1.086 2.177 3.502) 4.265 12.998 ( 0.403 2.923 1.629) 3.370 13.402 ( -0.668 -4.429 0.884) 4.565 ======================= Grid point 262 (133/201) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.570 -3.541 4.373) 5.656 1.831 ( -2.942 -1.320 2.650) 4.174 1.983 ( -2.135 -1.673 3.566) 4.480 2.195 ( -0.248 1.783 3.862) 4.261 2.401 ( -4.570 -3.631 -4.223) 7.204 2.670 ( 0.697 0.637 -2.422) 2.599 3.243 ( 3.475 -5.023 -0.325) 6.116 3.385 ( 3.609 3.791 3.094) 6.080 3.824 ( 6.909 -5.240 1.032) 8.732 3.946 ( -3.508 -1.846 -0.139) 3.967 4.795 ( 4.247 -3.677 -10.055) 11.518 5.355 ( -0.594 1.585 3.866) 4.221 5.639 ( -0.406 2.626 -1.235) 2.931 5.779 ( 0.072 1.616 3.194) 3.580 6.743 ( 2.291 0.660 -3.991) 4.649 7.076 ( -0.744 -3.810 1.557) 4.183 9.431 ( -2.006 1.844 4.692) 5.426 10.916 ( -2.394 1.232 6.146) 6.710 11.464 ( 4.267 2.559 -10.238) 11.383 11.651 ( 1.238 -0.983 -2.489) 2.948 12.665 ( -1.013 1.372 3.265) 3.684 12.746 ( -0.785 -9.567 -0.481) 9.611 12.947 ( 0.870 5.003 1.333) 5.251 13.466 ( -0.754 -3.281 1.821) 3.827 ======================= Grid point 263 (134/201) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -5.005 -0.723 9.236) 10.530 1.906 ( 7.502 -4.829 -0.530) 8.938 1.993 ( -7.658 -2.280 6.326) 10.191 2.228 ( 4.481 -1.575 2.682) 5.455 2.377 ( -3.992 -1.483 -4.636) 6.295 2.678 ( -0.044 -1.255 1.278) 1.791 3.269 ( -2.501 2.673 -1.815) 4.086 3.350 ( 4.475 5.617 -0.126) 7.183 3.876 ( -8.226 3.225 2.933) 9.310 3.938 ( 5.273 0.542 0.481) 5.323 4.839 ( 4.681 -1.062 -10.624) 11.658 5.324 ( -1.635 2.117 2.735) 3.826 5.634 ( 0.569 -3.479 -3.193) 4.757 5.757 ( -1.673 2.392 5.056) 5.838 6.744 ( 1.995 -0.090 -3.660) 4.169 7.108 ( -0.671 -0.016 1.631) 1.764 9.416 ( -1.981 -0.128 4.754) 5.152 10.906 ( -2.376 0.024 5.622) 6.104 11.442 ( 4.453 -0.017 -10.562) 11.462 11.667 ( 0.978 -0.741 -2.159) 2.483 12.654 ( -1.333 0.061 3.227) 3.492 12.853 ( 0.409 3.167 0.180) 3.199 12.873 ( -0.912 -2.099 0.749) 2.408 13.500 ( -0.823 -0.659 2.027) 2.285 ======================= Grid point 264 (135/201) ======================= q-point: (-0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -1.251 0.324 8.331) 8.430 1.931 ( -10.066 -0.286 6.889) 12.201 2.115 ( 7.206 -7.659 2.171) 10.738 2.316 ( -2.328 -0.074 -2.887) 3.710 2.335 ( 4.279 -0.905 -0.383) 4.390 2.716 ( -0.682 -2.429 3.344) 4.189 3.141 ( -4.047 5.195 -3.708) 7.557 3.268 ( 2.155 9.198 -1.902) 9.636 3.703 ( -10.794 6.643 6.770) 14.369 3.924 ( 3.995 6.975 -0.825) 8.080 4.829 ( 4.227 2.127 -10.504) 11.521 5.294 ( -1.605 0.372 2.269) 2.804 5.714 ( -1.768 2.328 4.229) 5.141 5.721 ( -0.429 -7.142 -2.821) 7.691 6.754 ( 1.250 -0.721 -3.048) 3.372 7.076 ( -0.746 3.818 2.089) 4.416 9.435 ( -1.997 -2.047 4.774) 5.565 10.914 ( -2.691 -1.171 5.957) 6.641 11.465 ( 4.280 -2.683 -10.117) 11.308 11.674 ( 0.753 -0.188 -2.788) 2.894 12.664 ( -1.696 -1.343 3.326) 3.968 12.724 ( 1.259 10.368 0.067) 10.444 12.935 ( -1.841 -3.817 1.085) 4.375 13.486 ( -0.857 2.166 1.394) 2.715 ======================= Grid point 265 (136/201) ======================= q-point: (-0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 4.149 0.902 4.645) 6.293 1.860 ( -10.863 -1.880 6.159) 12.628 2.207 ( -2.497 3.519 -2.907) 5.203 2.339 ( 4.318 -5.393 6.843) 9.724 2.372 ( -0.875 0.218 -1.135) 1.449 2.762 ( -0.135 -1.962 1.379) 2.403 2.999 ( -4.121 7.103 -5.428) 9.844 3.102 ( 0.743 8.474 3.098) 9.053 3.534 ( -6.513 5.399 5.681) 10.191 3.814 ( 2.517 8.743 -1.998) 9.315 4.776 ( 3.386 3.325 -9.643) 10.747 5.297 ( -1.285 -0.948 2.556) 3.014 5.669 ( -1.434 2.620 4.646) 5.523 5.827 ( -1.075 -7.373 -3.617) 8.282 6.767 ( 0.552 -1.309 -2.297) 2.701 6.996 ( -0.861 5.834 2.369) 6.355 9.476 ( -2.019 -2.728 4.724) 5.817 10.938 ( -3.147 -1.824 6.947) 7.841 11.521 ( 3.636 -3.797 -8.954) 10.384 11.663 ( 0.825 0.527 -4.166) 4.279 12.554 ( 0.839 10.733 -0.351) 10.772 12.695 ( -1.821 -2.307 3.572) 4.625 12.972 ( -0.999 -2.099 1.783) 2.929 13.429 ( -0.813 3.792 0.263) 3.887 ======================= Grid point 266 (137/201) ======================= q-point: (-0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 10.346 2.166 -5.596) 11.960 1.834 ( -11.596 -6.232 9.083) 15.994 2.068 ( -6.271 6.902 1.733) 9.485 2.319 ( -4.879 0.690 -0.761) 4.986 2.483 ( 0.119 -4.693 4.531) 6.524 2.757 ( -3.873 11.064 3.856) 12.340 2.785 ( 2.090 -0.205 -5.330) 5.729 3.110 ( 3.170 -0.615 7.029) 7.735 3.422 ( -2.684 5.287 3.515) 6.893 3.723 ( 4.186 3.931 -5.235) 7.770 4.719 ( 2.670 2.291 -8.896) 9.566 5.312 ( -1.040 -0.753 3.060) 3.319 5.647 ( 0.076 1.429 4.075) 4.319 5.892 ( -1.801 -4.032 -2.268) 4.965 6.790 ( 0.147 -2.039 -1.326) 2.437 6.902 ( -0.712 5.264 1.601) 5.548 9.515 ( -2.041 -1.867 4.612) 5.378 10.964 ( -3.497 -1.439 8.034) 8.879 11.572 ( 1.932 -2.483 -6.199) 6.952 11.642 ( 2.230 0.595 -7.028) 7.397 12.412 ( 0.828 6.839 -0.428) 6.902 12.728 ( -1.847 -1.863 3.837) 4.648 13.001 ( -0.177 -1.066 2.079) 2.343 13.360 ( -0.684 3.075 -0.738) 3.235 ======================= Grid point 268 (138/201) ======================= q-point: ( 0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -2.095 -0.000 -12.432) 12.607 1.710 ( -9.984 -0.000 13.940) 17.146 1.981 ( 4.943 0.000 -0.681) 4.990 2.192 ( -5.024 -0.000 3.352) 6.039 2.336 ( -3.949 -0.000 -0.981) 4.069 2.769 ( 2.894 0.000 -10.204) 10.607 2.933 ( 7.935 0.000 3.955) 8.866 3.339 ( 3.876 0.000 6.935) 7.945 3.417 ( 1.392 0.000 6.879) 7.019 3.880 ( 10.019 0.000 -5.132) 11.257 4.656 ( 3.007 0.000 -10.083) 10.522 5.368 ( 1.045 0.000 4.201) 4.329 5.722 ( 1.396 0.000 2.399) 2.775 5.875 ( -0.469 -0.000 -0.037) 0.470 6.828 ( -1.044 -0.000 2.290) 2.517 6.831 ( 1.957 0.000 -3.227) 3.774 9.525 ( -2.135 -0.000 4.579) 5.053 10.982 ( -3.252 -0.000 8.698) 9.287 11.561 ( 0.790 0.000 -2.530) 2.651 11.641 ( 4.551 0.000 -10.228) 11.195 12.384 ( 1.453 0.000 -0.985) 1.755 12.747 ( -1.179 -0.000 3.861) 4.037 13.042 ( 0.262 0.000 1.542) 1.564 13.306 ( -0.277 -0.000 -0.330) 0.431 ======================= Grid point 269 (139/201) ======================= q-point: ( 0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -1.280 0.936 -5.446) 5.673 1.721 ( -6.150 -2.694 9.184) 11.377 2.026 ( 4.666 0.734 -1.437) 4.937 2.182 ( -5.693 -4.162 2.429) 7.458 2.298 ( -2.563 0.654 0.587) 2.710 2.733 ( 1.855 2.328 -7.022) 7.627 3.057 ( 6.396 -3.993 1.438) 7.676 3.415 ( 4.512 -0.641 3.369) 5.668 3.542 ( 2.781 -7.923 6.232) 10.457 3.949 ( 7.547 1.305 -3.327) 8.350 4.668 ( 3.708 -2.798 -10.689) 11.654 5.395 ( 1.266 0.741 3.965) 4.228 5.735 ( 0.155 1.158 1.998) 2.314 5.850 ( 0.765 2.373 -0.933) 2.662 6.791 ( 1.598 2.123 -1.872) 3.250 6.902 ( -0.159 -5.078 1.070) 5.191 9.508 ( -2.119 1.793 4.693) 5.452 10.973 ( -3.019 1.522 8.234) 8.901 11.554 ( 1.888 1.216 -4.032) 4.616 11.635 ( 3.794 0.588 -8.357) 9.197 12.446 ( 1.151 -6.087 -1.319) 6.334 12.737 ( -0.927 1.830 3.707) 4.236 13.041 ( 0.212 1.195 1.272) 1.758 13.333 ( -0.164 -3.333 0.395) 3.360 ======================= Grid point 270 (140/201) ======================= q-point: ( 0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -1.932 -2.876 -0.482) 3.498 1.769 ( -0.237 -3.121 6.872) 7.551 2.030 ( 1.789 2.838 0.889) 3.471 2.215 ( -3.355 -4.381 2.348) 5.997 2.264 ( -2.374 0.200 -0.148) 2.387 2.689 ( 1.064 1.796 -2.592) 3.328 3.198 ( 3.713 -5.287 -0.725) 6.501 3.472 ( 3.960 0.819 -0.036) 4.044 3.745 ( 1.671 -9.414 4.146) 10.421 3.965 ( 3.979 2.751 -1.252) 4.997 4.725 ( 4.451 -4.510 -10.879) 12.590 5.399 ( 0.199 2.002 3.693) 4.205 5.692 ( -1.058 4.075 1.590) 4.501 5.824 ( 1.698 1.897 -1.052) 2.754 6.772 ( 2.453 1.597 -3.095) 4.259 6.994 ( -0.688 -5.605 1.864) 5.946 9.469 ( -2.038 2.555 4.789) 5.798 10.946 ( -2.676 2.043 7.153) 7.905 11.516 ( 3.588 3.373 -8.305) 9.655 11.641 ( 2.201 -0.610 -3.923) 4.540 12.577 ( 0.127 -9.144 -1.319) 9.240 12.707 ( -0.853 2.471 3.447) 4.326 13.021 ( 0.455 2.416 1.180) 2.727 13.402 ( -0.278 -4.433 1.394) 4.655 ======================= Grid point 271 (141/201) ======================= q-point: (-0.50 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -4.138 -2.975 8.102) 9.572 1.875 ( 3.919 -5.415 -0.379) 6.695 1.994 ( -0.942 2.974 3.902) 4.996 2.244 ( -4.476 -2.983 -2.424) 5.900 2.282 ( 3.810 -1.972 3.908) 5.804 2.678 ( 0.390 0.206 0.913) 1.014 3.262 ( -1.149 -0.489 -2.161) 2.496 3.468 ( 3.590 3.517 -2.338) 5.543 3.837 ( -4.771 -0.341 1.094) 4.906 3.992 ( 4.887 -1.248 2.622) 5.685 4.798 ( 4.781 -3.880 -10.941) 12.555 5.365 ( -1.404 3.152 3.211) 4.713 5.627 ( 0.267 2.685 -0.500) 2.744 5.802 ( -0.085 2.269 1.714) 2.845 6.761 ( 2.420 1.144 -3.699) 4.566 7.075 ( -0.712 -3.791 1.762) 4.240 9.432 ( -1.962 1.821 4.797) 5.494 10.919 ( -2.418 1.460 6.079) 6.704 11.464 ( 4.271 2.578 -10.108) 11.272 11.658 ( 1.400 -0.639 -2.268) 2.740 12.673 ( -0.965 1.810 3.157) 3.764 12.719 ( -1.122 -8.687 -0.654) 8.783 12.978 ( 0.873 4.493 1.081) 4.703 13.470 ( -0.543 -3.098 2.037) 3.748 ======================= Grid point 272 (142/201) ======================= q-point: (-0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -4.887 -1.813 10.682) 11.886 1.902 ( -5.204 1.737 2.863) 6.188 2.076 ( 8.139 -6.821 -1.355) 10.705 2.235 ( -4.319 -3.156 -1.947) 5.693 2.379 ( 5.024 -0.617 2.970) 5.869 2.696 ( -0.280 -1.300 3.082) 3.357 3.173 ( -3.684 5.025 -2.939) 6.889 3.415 ( 2.364 6.245 -2.699) 7.202 3.733 ( -5.850 5.324 2.730) 8.368 4.051 ( 3.084 2.409 2.177) 4.478 4.839 ( 4.295 -0.745 -10.730) 11.582 5.312 ( -1.511 2.332 2.792) 3.939 5.624 ( 0.903 -2.264 -2.239) 3.310 5.763 ( -1.925 2.817 4.585) 5.716 6.753 ( 1.805 0.522 -3.910) 4.338 7.109 ( -0.606 -0.104 1.607) 1.721 9.417 ( -1.958 -0.085 4.728) 5.118 10.905 ( -2.383 0.242 5.610) 6.100 11.443 ( 4.465 -0.048 -10.549) 11.455 11.668 ( 0.875 -0.162 -2.191) 2.365 12.654 ( -1.343 0.491 3.221) 3.524 12.831 ( -1.315 -6.599 0.275) 6.735 12.894 ( 0.876 7.709 0.715) 7.792 13.500 ( -0.830 -0.274 1.998) 2.180 ======================= Grid point 273 (143/201) ======================= q-point: (-0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -8.086 -2.433 11.466) 14.240 1.844 ( 0.430 1.312 -1.031) 1.723 2.181 ( -3.217 -0.767 -1.077) 3.478 2.297 ( 1.822 -5.734 -0.628) 6.049 2.399 ( 0.677 1.951 2.685) 3.388 2.735 ( 0.201 -1.838 -0.034) 1.850 3.060 ( 0.616 4.528 -1.104) 4.701 3.277 ( -0.821 10.231 0.573) 10.279 3.602 ( -1.732 6.226 2.931) 7.096 3.990 ( 1.816 8.428 0.557) 8.639 4.817 ( 3.366 2.454 -9.958) 10.794 5.293 ( -0.695 0.260 3.346) 3.427 5.688 ( -0.122 -5.337 -2.837) 6.046 5.722 ( -1.631 1.850 5.642) 6.158 6.749 ( 1.215 -0.318 -3.863) 4.062 7.079 ( -0.676 3.760 1.743) 4.199 9.435 ( -2.009 -2.001 4.639) 5.437 10.911 ( -2.603 -1.036 6.041) 6.659 11.466 ( 4.293 -2.609 -10.226) 11.393 11.662 ( 0.633 0.417 -2.896) 2.994 12.659 ( -1.535 -1.055 3.362) 3.844 12.748 ( 0.822 10.752 0.045) 10.783 12.916 ( -0.891 -4.569 1.407) 4.863 13.478 ( -0.980 2.638 1.331) 3.113 ======================= Grid point 274 (144/201) ======================= q-point: (-0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -9.638 -3.417 8.844) 13.520 1.866 ( 6.109 0.074 -3.676) 7.130 2.082 ( -10.142 4.543 3.838) 11.757 2.281 ( -4.011 0.217 -1.327) 4.231 2.459 ( 1.574 -1.436 1.036) 2.369 2.750 ( 1.094 -1.765 -6.953) 7.256 2.953 ( 1.788 11.400 1.449) 11.630 3.192 ( 3.130 1.933 7.936) 8.747 3.521 ( 1.978 6.030 2.045) 6.668 3.860 ( 3.143 8.609 -2.126) 9.408 4.754 ( 2.689 3.454 -9.192) 10.181 5.310 ( -0.223 -0.553 4.063) 4.106 5.691 ( -0.868 1.257 4.808) 5.045 5.785 ( -0.186 -5.793 -1.736) 6.050 6.757 ( 0.997 -1.294 -3.448) 3.815 6.997 ( -0.782 5.873 1.752) 6.178 9.474 ( -2.064 -2.706 4.567) 5.696 10.935 ( -2.945 -1.789 7.120) 7.911 11.518 ( 3.587 -3.453 -8.871) 10.172 11.644 ( 1.109 0.729 -4.391) 4.587 12.569 ( 0.768 10.769 -0.332) 10.801 12.691 ( -1.459 -2.122 3.542) 4.380 12.978 ( -0.131 -2.793 1.913) 3.388 13.413 ( -0.886 4.172 0.409) 4.285 ======================= Grid point 277 (145/201) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -2.631 -0.000 -13.119) 13.380 1.730 ( 0.657 0.000 12.093) 12.110 2.080 ( 4.811 0.000 -0.546) 4.842 2.085 ( -6.078 -0.000 2.471) 6.561 2.308 ( -0.498 -0.000 3.312) 3.349 2.746 ( 1.782 0.000 -5.338) 5.628 3.079 ( 2.894 0.000 1.040) 3.075 3.466 ( 4.576 0.000 -0.146) 4.578 3.536 ( 3.309 0.000 6.626) 7.406 4.032 ( 6.072 0.000 -1.207) 6.191 4.635 ( 4.397 0.000 -12.158) 12.928 5.435 ( 1.570 0.000 3.577) 3.906 5.756 ( 0.754 0.000 -0.159) 0.770 5.873 ( 0.827 0.000 -0.939) 1.252 6.828 ( -1.246 -0.000 3.070) 3.313 6.856 ( 2.752 0.000 -2.720) 3.869 9.521 ( -2.157 -0.000 4.830) 5.290 10.991 ( -3.149 -0.000 8.577) 9.137 11.568 ( 1.469 0.000 -1.473) 2.081 11.646 ( 4.541 0.000 -10.341) 11.294 12.402 ( 1.298 0.000 -1.784) 2.206 12.761 ( -0.825 -0.000 3.737) 3.827 13.055 ( -0.111 -0.000 0.853) 0.860 13.306 ( 0.279 0.000 0.355) 0.451 ======================= Grid point 278 (146/201) ======================= q-point: ( 0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -1.904 -4.538 -9.832) 10.995 1.805 ( 3.125 0.261 9.936) 10.419 2.049 ( -3.615 -0.508 0.680) 3.713 2.139 ( 2.841 -1.430 2.504) 4.048 2.304 ( 0.289 1.949 3.565) 4.073 2.725 ( 1.090 2.076 -1.734) 2.917 3.137 ( 0.268 -4.425 -0.222) 4.439 3.506 ( 3.563 -0.238 -3.156) 4.766 3.653 ( 2.387 -6.108 4.467) 7.935 4.055 ( 2.836 2.829 1.032) 4.136 4.657 ( 5.102 -3.257 -12.726) 14.092 5.451 ( 0.381 1.606 3.414) 3.792 5.743 ( -0.205 2.043 0.309) 2.077 5.867 ( 2.385 1.687 -2.556) 3.881 6.811 ( 1.059 1.526 -0.455) 1.913 6.914 ( 0.258 -4.197 0.982) 4.318 9.505 ( -2.125 1.713 4.956) 5.658 10.982 ( -3.034 1.600 8.034) 8.735 11.565 ( 2.374 1.933 -3.924) 4.977 11.644 ( 3.676 0.162 -7.559) 8.407 12.452 ( 0.736 -5.400 -1.991) 5.802 12.752 ( -0.804 1.897 3.604) 4.151 13.050 ( -0.208 0.699 0.687) 1.002 13.341 ( 0.358 -3.248 0.892) 3.388 ======================= Grid point 279 (147/201) ======================= q-point: (-0.50 -0.75 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.628 -7.423 -1.199) 7.545 1.857 ( 0.515 0.121 4.604) 4.634 2.023 ( -0.902 0.467 0.991) 1.419 2.184 ( -0.013 0.673 2.468) 2.558 2.327 ( 3.982 -1.276 4.803) 6.368 2.701 ( 0.264 1.504 1.720) 2.300 3.198 ( -2.339 -3.883 -2.011) 4.960 3.514 ( 1.914 0.744 -5.062) 5.463 3.776 ( -0.162 -4.205 0.750) 4.274 4.038 ( 0.593 1.405 4.360) 4.619 4.727 ( 5.458 -4.836 -12.319) 14.315 5.419 ( -1.500 3.263 3.118) 4.756 5.694 ( 0.051 3.877 1.340) 4.102 5.847 ( 2.089 2.454 -2.649) 4.172 6.795 ( 1.876 1.688 -2.711) 3.703 6.998 ( -0.806 -5.265 2.258) 5.785 9.470 ( -2.037 2.481 4.982) 5.927 10.952 ( -2.759 2.177 6.983) 7.818 11.519 ( 3.663 3.745 -8.305) 9.819 11.656 ( 2.211 -0.467 -3.372) 4.060 12.562 ( -0.163 -8.283 -1.625) 8.442 12.719 ( -0.991 2.767 3.389) 4.486 13.035 ( 0.003 1.512 0.818) 1.719 13.413 ( 0.043 -4.155 1.606) 4.454 ======================= Grid point 280 (148/201) ======================= q-point: (-0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -0.025 -2.650 5.966) 6.529 1.845 ( -5.940 -0.637 1.398) 6.135 2.069 ( 5.537 -3.650 -0.173) 6.634 2.163 ( -2.035 0.337 1.273) 2.424 2.435 ( 4.124 -1.270 4.947) 6.564 2.698 ( -0.345 0.222 3.586) 3.609 3.174 ( -3.746 0.981 -2.575) 4.650 3.479 ( -0.023 2.166 -4.643) 5.123 3.772 ( -0.720 2.755 -0.653) 2.922 4.079 ( -0.681 -2.197 5.165) 5.654 4.802 ( 5.071 -3.518 -11.503) 13.054 5.355 ( -1.919 3.252 2.658) 4.618 5.646 ( 1.449 3.128 0.316) 3.462 5.805 ( -0.627 2.875 0.620) 3.007 6.772 ( 1.679 1.558 -3.890) 4.514 7.076 ( -0.833 -3.774 2.038) 4.370 9.433 ( -1.984 1.844 4.880) 5.581 10.921 ( -2.479 1.596 6.006) 6.691 11.465 ( 4.232 2.629 -10.012) 11.183 11.668 ( 1.355 -0.050 -2.230) 2.610 12.678 ( -1.195 2.121 3.125) 3.961 12.693 ( -0.677 -8.393 -0.506) 8.435 12.999 ( 0.106 3.864 0.842) 3.956 13.478 ( -0.452 -2.632 2.032) 3.356 ======================= Grid point 281 (149/201) ======================= q-point: (-0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -2.165 3.027 8.314) 9.108 1.812 ( -3.253 -3.258 -1.218) 4.763 2.142 ( -1.448 0.081 0.930) 1.723 2.215 ( 1.108 -5.501 0.297) 5.619 2.450 ( -1.033 2.428 3.701) 4.545 2.715 ( 0.011 -0.442 0.226) 0.497 3.123 ( 1.520 1.165 0.515) 1.983 3.390 ( -2.499 5.535 -1.328) 6.216 3.712 ( 2.850 4.929 -0.729) 5.740 4.091 ( -1.922 2.131 3.250) 4.336 4.833 ( 4.211 0.008 -10.553) 11.362 5.315 ( -0.798 1.173 3.079) 3.390 5.633 ( 1.748 -0.117 -2.339) 2.923 5.757 ( -2.495 1.958 4.879) 5.819 6.749 ( 1.392 0.833 -4.398) 4.688 7.110 ( -0.692 -0.126 1.615) 1.761 9.417 ( -1.998 0.007 4.719) 5.124 10.905 ( -2.352 0.318 5.636) 6.115 11.443 ( 4.422 -0.051 -10.570) 11.457 11.666 ( 0.863 0.511 -2.227) 2.443 12.654 ( -1.385 0.634 3.242) 3.582 12.817 ( -0.311 -7.159 0.608) 7.191 12.909 ( -0.031 7.664 0.477) 7.679 13.500 ( -0.857 0.269 1.972) 2.167 ======================= Grid point 282 (150/201) ======================= q-point: (-0.12 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -3.674 2.031 6.734) 7.935 1.862 ( 1.218 -3.868 -2.136) 4.584 2.075 ( -7.944 5.347 4.001) 10.378 2.219 ( -4.800 -1.480 1.718) 5.309 2.464 ( 1.309 -0.602 -0.263) 1.465 2.702 ( -0.141 -0.591 -5.485) 5.519 3.144 ( 5.018 5.594 1.145) 7.602 3.286 ( 0.458 2.669 5.539) 6.165 3.672 ( 6.213 5.758 -0.663) 8.496 4.002 ( -1.382 6.713 0.655) 6.885 4.801 ( 3.492 3.083 -9.646) 10.712 5.323 ( -0.034 -0.324 4.174) 4.187 5.662 ( -0.381 -3.253 -1.831) 3.752 5.747 ( -0.502 -0.236 4.729) 4.762 6.740 ( 1.534 -0.318 -4.371) 4.643 7.078 ( -0.744 3.779 1.532) 4.145 9.433 ( -2.035 -1.913 4.611) 5.391 10.912 ( -2.463 -1.056 6.133) 6.693 11.465 ( 4.271 -2.567 -10.290) 11.433 11.652 ( 0.873 0.897 -2.769) 3.039 12.659 ( -1.274 -1.061 3.350) 3.738 12.758 ( 0.029 10.439 -0.147) 10.440 12.922 ( 0.195 -5.064 1.490) 5.283 13.469 ( -0.947 3.091 1.505) 3.566 ======================= Grid point 286 (151/201) ======================= q-point: (-0.62 -0.62 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -1.305 -0.000 -15.228) 15.283 1.890 ( -1.034 -0.000 14.271) 14.308 2.042 ( 4.175 0.000 0.162) 4.178 2.175 ( 2.917 0.000 2.523) 3.857 2.344 ( 0.629 0.000 3.507) 3.563 2.753 ( 1.281 0.000 -0.673) 1.447 3.077 ( -3.976 -0.000 1.677) 4.315 3.518 ( 2.665 0.000 -6.242) 6.787 3.646 ( 1.689 0.000 3.987) 4.330 4.104 ( -0.271 -0.000 2.973) 2.986 4.626 ( 5.852 0.000 -14.090) 15.257 5.479 ( -0.940 -0.000 3.286) 3.417 5.754 ( 0.020 0.000 -1.841) 1.841 5.905 ( 3.924 0.000 -2.758) 4.796 6.828 ( -1.760 -0.000 4.095) 4.458 6.889 ( 2.203 0.000 -2.344) 3.217 9.520 ( -2.174 -0.000 5.116) 5.559 10.999 ( -3.256 -0.000 8.270) 8.888 11.594 ( 1.719 0.000 -0.707) 1.859 11.649 ( 4.362 0.000 -10.195) 11.089 12.405 ( 0.700 0.000 -2.351) 2.453 12.776 ( -0.945 -0.000 3.676) 3.795 13.052 ( -0.706 -0.000 0.327) 0.778 13.323 ( 0.791 0.000 0.640) 1.017 ======================= Grid point 287 (152/201) ======================= q-point: (-0.50 -0.62 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.237 -9.321 -12.051) 15.237 1.902 ( -5.371 1.175 14.147) 15.178 2.080 ( 7.354 4.103 -1.763) 8.604 2.232 ( 2.227 0.206 4.067) 4.642 2.365 ( 2.363 -0.693 3.896) 4.609 2.745 ( 0.282 2.055 2.507) 3.254 3.075 ( -5.488 -4.904 0.339) 7.368 3.504 ( 0.839 0.156 -7.741) 7.788 3.709 ( -0.014 -4.264 1.688) 4.586 4.079 ( -3.400 2.242 5.038) 6.479 4.659 ( 6.324 -3.577 -13.837) 15.629 5.456 ( -2.577 2.076 2.921) 4.414 5.735 ( -0.475 1.082 -0.762) 1.406 5.916 ( 4.778 2.925 -3.821) 6.781 6.822 ( -0.223 0.820 0.822) 1.182 6.925 ( -0.058 -3.291 0.755) 3.377 9.506 ( -2.130 1.648 5.188) 5.846 10.986 ( -3.193 1.623 7.752) 8.539 11.581 ( 2.728 3.058 -5.008) 6.471 11.657 ( 3.141 -0.589 -5.900) 6.710 12.442 ( 0.218 -5.003 -2.219) 5.478 12.764 ( -1.206 1.998 3.594) 4.285 13.044 ( -0.805 0.045 0.385) 0.894 13.361 ( 0.667 -3.013 0.884) 3.210 ======================= Grid point 288 (153/201) ======================= q-point: (-0.38 -0.62 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.398 -12.208 -5.663) 13.463 1.875 ( -3.565 3.969 12.826) 13.891 2.081 ( 4.584 1.076 -2.016) 5.122 2.207 ( 0.242 4.028 1.943) 4.478 2.464 ( 2.450 -2.462 5.534) 6.534 2.729 ( -0.333 1.555 4.872) 5.125 3.094 ( -4.651 -4.033 -1.519) 6.341 3.461 ( -1.313 0.454 -7.398) 7.527 3.772 ( 0.183 -2.601 -1.473) 2.995 4.039 ( -5.791 -0.960 7.202) 9.291 4.738 ( 6.111 -4.685 -12.614) 14.779 5.392 ( -2.935 3.027 2.372) 4.838 5.708 ( -0.401 1.712 1.509) 2.317 5.873 ( 3.063 5.305 -3.841) 7.230 6.800 ( 0.786 1.798 -2.474) 3.158 6.998 ( -1.215 -5.173 2.663) 5.944 9.471 ( -2.061 2.464 5.116) 6.041 10.954 ( -2.909 2.187 6.824) 7.733 11.522 ( 3.670 4.065 -8.465) 10.082 11.673 ( 1.951 -0.220 -3.092) 3.663 12.545 ( -0.033 -8.152 -1.472) 8.284 12.723 ( -1.494 2.911 3.407) 4.724 13.033 ( -0.833 0.732 0.686) 1.304 13.430 ( 0.113 -3.733 1.413) 3.994 ======================= Grid point 289 (154/201) ======================= q-point: (-0.25 -0.62 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -1.792 -8.334 -1.167) 8.604 1.805 ( 0.546 7.860 8.088) 11.291 2.135 ( -1.052 -2.625 2.393) 3.704 2.178 ( 2.403 0.709 -0.009) 2.505 2.479 ( -4.007 1.862 4.941) 6.628 2.728 ( 0.123 1.313 1.610) 2.081 3.119 ( 0.532 -3.515 0.686) 3.621 3.397 ( -3.021 1.181 -4.465) 5.519 3.789 ( 3.179 0.770 -2.587) 4.171 4.046 ( -7.143 -3.596 6.205) 10.122 4.811 ( 5.343 -2.816 -11.375) 12.879 5.334 ( -1.899 1.605 2.191) 3.314 5.685 ( 1.301 2.656 1.006) 3.124 5.788 ( -0.967 4.254 -0.487) 4.390 6.765 ( 1.036 1.694 -3.757) 4.249 7.075 ( -1.018 -3.826 2.280) 4.569 9.434 ( -2.033 1.914 4.930) 5.666 10.921 ( -2.562 1.558 5.962) 6.673 11.465 ( 4.194 2.696 -9.998) 11.172 11.676 ( 1.246 0.449 -2.347) 2.694 12.677 ( -1.566 2.236 3.262) 4.253 12.684 ( 0.277 -8.921 -0.303) 8.930 12.996 ( -1.067 3.390 0.714) 3.625 13.485 ( -0.506 -2.146 1.857) 2.883 ======================= Grid point 290 (155/201) ======================= q-point: (-0.12 -0.62 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -2.381 3.846 5.805) 7.359 1.788 ( 2.576 -2.750 0.325) 3.782 2.123 ( -5.750 6.455 2.974) 9.141 2.158 ( -2.393 -1.880 3.717) 4.804 2.455 ( -0.771 -0.942 -0.116) 1.223 2.690 ( -0.623 1.776 -2.394) 3.045 3.229 ( 5.269 -3.429 2.632) 6.816 3.325 ( -2.444 1.820 -0.120) 3.049 3.806 ( 6.437 2.277 -2.250) 7.189 4.025 ( -6.800 0.024 3.646) 7.716 4.833 ( 4.600 0.760 -10.445) 11.438 5.326 ( -0.939 -0.789 3.019) 3.258 5.645 ( 1.515 2.635 -3.502) 4.637 5.750 ( -2.342 -0.498 5.566) 6.059 6.740 ( 1.578 0.668 -4.153) 4.493 7.108 ( -0.758 -0.079 1.639) 1.807 9.417 ( -2.021 0.095 4.745) 5.158 10.906 ( -2.345 0.208 5.649) 6.119 11.442 ( 4.410 -0.025 -10.583) 11.465 11.666 ( 0.967 0.884 -2.194) 2.556 12.653 ( -1.373 0.407 3.248) 3.550 12.828 ( 0.747 -7.522 0.707) 7.592 12.900 ( -1.156 7.121 0.318) 7.221 13.500 ( -0.850 0.658 2.002) 2.273 ======================= Grid point 295 (156/201) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.719 0.000 -15.291) 15.531 1.907 ( -6.374 -0.000 14.638) 15.966 2.242 ( -0.153 -0.000 5.211) 5.213 2.259 ( 11.676 0.000 -0.575) 11.690 2.393 ( 1.491 0.000 2.835) 3.203 2.783 ( 0.595 0.000 2.302) 2.378 2.952 ( -9.378 -0.000 3.639) 10.060 3.471 ( -0.071 -0.000 -9.889) 9.890 3.666 ( -2.075 -0.000 1.488) 2.553 4.069 ( -6.765 -0.000 6.020) 9.056 4.635 ( 6.858 0.000 -14.042) 15.627 5.453 ( -3.455 -0.000 2.464) 4.243 5.726 ( -0.883 -0.000 -2.141) 2.316 5.984 ( 5.718 0.000 -4.215) 7.104 6.825 ( -2.301 -0.000 4.863) 5.380 6.902 ( 0.705 0.000 -2.014) 2.134 9.520 ( -2.133 -0.000 5.317) 5.729 11.000 ( -3.451 -0.000 7.982) 8.696 11.623 ( 1.431 0.000 -0.653) 1.573 11.650 ( 4.168 0.000 -9.936) 10.775 12.391 ( 0.044 0.000 -2.329) 2.329 12.783 ( -1.562 -0.000 3.745) 4.057 13.033 ( -1.156 -0.000 0.255) 1.184 13.347 ( 0.899 0.000 0.323) 0.956 ======================= Grid point 296 (157/201) ======================= q-point: (-0.38 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 4.280 -10.767 -10.605) 15.707 1.915 ( -5.019 -0.661 15.071) 15.899 2.203 ( 2.858 5.765 1.495) 6.606 2.302 ( 2.780 5.588 0.306) 6.249 2.464 ( 1.792 -2.398 4.609) 5.496 2.776 ( -0.629 1.662 5.249) 5.542 2.936 ( -7.085 -6.972 1.288) 10.023 3.411 ( -1.730 0.367 -10.178) 10.330 3.684 ( -2.792 -4.856 -0.117) 5.602 3.997 ( -9.085 1.280 7.163) 11.639 4.679 ( 6.717 -3.533 -12.875) 14.946 5.408 ( -3.437 1.841 1.958) 4.363 5.706 ( -1.485 -0.148 -0.794) 1.691 5.985 ( 4.673 4.461 -4.816) 8.058 6.818 ( -1.000 0.774 1.337) 1.841 6.922 ( -1.026 -3.299 1.244) 3.672 9.508 ( -2.073 1.652 5.299) 5.925 10.985 ( -3.391 1.584 7.574) 8.448 11.590 ( 2.871 3.732 -6.295) 7.861 11.670 ( 2.427 -1.009 -4.731) 5.412 12.424 ( -0.064 -5.198 -1.903) 5.536 12.764 ( -1.888 2.062 3.683) 4.624 13.025 ( -1.248 -0.313 0.549) 1.399 13.381 ( 0.542 -2.793 0.384) 2.871 ======================= Grid point 297 (158/201) ======================= q-point: (-0.25 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 2.320 -10.677 -2.767) 11.271 1.955 ( -0.945 0.855 13.609) 13.669 2.138 ( 1.856 5.291 -1.033) 5.702 2.240 ( 1.591 3.185 1.347) 3.806 2.469 ( -6.250 1.135 4.985) 8.075 2.767 ( -0.194 2.100 2.449) 3.232 3.026 ( -0.733 -8.246 1.555) 8.423 3.339 ( -3.085 -0.316 -8.361) 8.918 3.755 ( -0.571 -6.287 -1.879) 6.587 3.923 ( -10.572 -1.646 7.846) 13.268 4.760 ( 5.990 -4.194 -11.694) 13.792 5.349 ( -2.618 2.028 1.716) 3.730 5.697 ( -1.880 -0.822 2.006) 2.870 5.897 ( 2.429 7.976 -4.829) 9.635 6.788 ( 0.162 1.825 -1.973) 2.692 6.995 ( -1.462 -5.441 3.039) 6.402 9.473 ( -2.042 2.542 5.133) 6.080 10.950 ( -3.075 2.083 6.757) 7.711 11.524 ( 3.649 4.195 -8.663) 10.294 11.682 ( 1.553 -0.077 -3.255) 3.607 12.537 ( 0.369 -8.856 -1.067) 8.928 12.717 ( -1.965 2.818 3.493) 4.899 13.014 ( -1.553 0.585 0.879) 1.878 13.441 ( -0.119 -3.448 0.954) 3.580 ======================= Grid point 298 (159/201) ======================= q-point: (-0.12 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -1.135 -5.426 4.403) 7.079 1.939 ( 5.563 8.470 4.521) 11.096 2.085 ( -7.878 -0.305 5.914) 9.855 2.227 ( 3.051 4.001 1.027) 5.136 2.411 ( -3.687 -1.480 0.069) 3.973 2.719 ( -1.006 3.096 0.262) 3.265 3.181 ( 2.019 -7.882 2.422) 8.489 3.290 ( -2.454 -1.449 -5.053) 5.802 3.848 ( 4.288 -3.416 -2.603) 6.069 3.896 ( -11.664 -5.362 6.932) 14.590 4.824 ( 5.148 -2.256 -10.962) 12.319 5.313 ( -1.794 0.126 1.959) 2.659 5.710 ( -0.574 -0.210 2.637) 2.707 5.757 ( -0.673 6.655 -2.292) 7.071 6.755 ( 1.065 1.341 -3.118) 3.558 7.074 ( -0.966 -3.869 2.326) 4.617 9.435 ( -2.027 2.006 4.902) 5.672 10.918 ( -2.658 1.382 5.938) 6.651 11.465 ( 4.222 2.727 -10.037) 11.226 11.678 ( 1.046 0.552 -2.557) 2.817 12.671 ( -1.729 1.818 3.282) 4.131 12.698 ( 1.044 -9.624 -0.037) 9.681 12.969 ( -1.917 3.335 0.791) 3.927 13.489 ( -0.667 -1.951 1.610) 2.616 ======================= Grid point 304 (160/201) ======================= q-point: (-0.38 -0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 8.837 0.000 -11.036) 14.138 1.918 ( -4.581 -0.000 14.000) 14.730 2.256 ( -2.991 -0.000 5.050) 5.869 2.399 ( 2.301 0.000 -0.867) 2.459 2.527 ( 7.541 0.000 2.835) 8.057 2.759 ( -12.270 -0.000 6.863) 14.058 2.810 ( -0.661 -0.000 3.449) 3.512 3.339 ( -3.042 -0.000 -11.729) 12.117 3.595 ( -4.675 -0.000 -0.023) 4.675 3.935 ( -10.338 -0.000 6.785) 12.366 4.664 ( 6.595 0.000 -11.857) 13.568 5.395 ( -3.219 -0.000 1.508) 3.555 5.680 ( -1.821 -0.000 -1.361) 2.273 6.048 ( 3.790 0.000 -5.630) 6.787 6.819 ( -2.320 -0.000 5.137) 5.637 6.886 ( -0.624 -0.000 -1.226) 1.376 9.524 ( -2.013 -0.000 5.332) 5.700 10.995 ( -3.648 -0.000 7.895) 8.697 11.639 ( 0.806 0.000 -1.290) 1.521 11.649 ( 3.992 0.000 -9.807) 10.589 12.369 ( -0.269 -0.000 -1.774) 1.794 12.777 ( -2.215 -0.000 3.862) 4.452 13.011 ( -1.195 -0.000 0.729) 1.400 13.363 ( 0.531 0.000 -0.379) 0.652 ======================= Grid point 305 (161/201) ======================= q-point: (-0.25 -0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 9.150 -8.710 -5.619) 13.826 1.956 ( -3.176 -2.427 12.470) 13.095 2.232 ( -1.591 0.910 2.335) 2.968 2.366 ( 2.409 8.042 0.932) 8.446 2.456 ( -6.737 5.425 6.243) 10.667 2.802 ( -1.439 1.219 2.152) 2.861 2.857 ( -1.162 -12.168 4.802) 13.133 3.247 ( -4.553 -0.522 -10.953) 11.873 3.596 ( -5.171 -6.455 0.545) 8.289 3.845 ( -9.209 0.688 5.401) 10.698 4.710 ( 5.866 -3.142 -10.817) 12.700 5.357 ( -2.579 1.412 1.362) 3.240 5.662 ( -2.146 -1.010 0.369) 2.400 6.010 ( 1.835 5.092 -5.841) 7.963 6.807 ( -0.998 1.273 1.146) 1.983 6.909 ( -1.462 -4.116 2.241) 4.909 9.512 ( -1.982 1.732 5.201) 5.829 10.978 ( -3.568 1.525 7.594) 8.527 11.591 ( 2.778 3.806 -6.955) 8.401 11.673 ( 1.796 -1.151 -4.824) 5.275 12.409 ( 0.008 -5.857 -1.284) 5.996 12.752 ( -2.289 2.023 3.782) 4.861 13.004 ( -1.270 -0.092 1.124) 1.698 13.389 ( 0.074 -2.739 -0.283) 2.755 ======================= Grid point 306 (162/201) ======================= q-point: (-0.12 -0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 5.107 -6.438 1.739) 8.399 2.008 ( -6.428 -1.781 8.863) 11.093 2.178 ( 1.573 9.889 6.453) 11.912 2.287 ( -0.095 -2.105 0.738) 2.233 2.365 ( -1.886 2.841 -0.355) 3.428 2.761 ( -1.401 2.770 2.013) 3.699 3.062 ( 1.015 -9.734 2.497) 10.100 3.177 ( -4.669 -3.566 -8.811) 10.590 3.672 ( -9.765 -8.617 6.469) 14.541 3.805 ( -1.540 -3.538 -0.254) 3.867 4.778 ( 4.887 -3.651 -10.513) 12.155 5.314 ( -1.955 1.331 1.628) 2.871 5.674 ( -2.248 -2.289 3.287) 4.593 5.880 ( 0.207 8.437 -5.105) 9.863 6.776 ( 0.233 1.571 -1.608) 2.260 6.993 ( -1.199 -5.727 2.973) 6.564 9.476 ( -2.005 2.662 4.976) 5.989 10.944 ( -3.187 1.941 6.804) 7.760 11.523 ( 3.641 4.090 -8.846) 10.404 11.679 ( 1.087 -0.216 -3.715) 3.876 12.541 ( 0.720 -9.943 -0.647) 9.990 12.705 ( -2.055 2.569 3.563) 4.850 12.988 ( -1.637 1.176 1.329) 2.414 13.441 ( -0.505 -3.485 0.491) 3.555 ======================= Grid point 313 (163/201) ======================= q-point: (-0.25 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 13.299 0.000 -6.002) 14.591 1.956 ( -2.967 -0.000 11.375) 11.755 2.194 ( -5.266 -0.000 0.306) 5.275 2.416 ( -0.148 -0.000 -0.362) 0.391 2.588 ( -10.378 -0.000 12.263) 16.065 2.676 ( 1.114 0.000 7.158) 7.245 2.816 ( -0.496 -0.000 0.611) 0.787 3.138 ( -5.263 -0.000 -9.442) 10.810 3.484 ( -5.158 -0.000 0.098) 5.159 3.781 ( -6.955 -0.000 2.251) 7.310 4.697 ( 5.176 0.000 -9.570) 10.880 5.349 ( -2.191 -0.000 1.271) 2.533 5.632 ( -1.904 -0.000 0.514) 1.973 6.036 ( 0.099 0.000 -6.031) 6.031 6.820 ( -1.762 -0.000 4.663) 4.985 6.861 ( -0.786 -0.000 -0.586) 0.981 9.529 ( -1.933 -0.000 5.098) 5.452 10.987 ( -3.795 -0.000 8.038) 8.889 11.633 ( 0.176 0.000 -2.269) 2.276 11.644 ( 3.864 0.000 -9.843) 10.574 12.352 ( -0.085 -0.000 -1.032) 1.035 12.761 ( -2.372 -0.000 3.936) 4.596 12.998 ( -0.866 -0.000 1.481) 1.715 13.362 ( -0.047 -0.000 -1.028) 1.029 ======================= Grid point 314 (164/201) ======================= q-point: (-0.12 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 11.316 -5.042 -2.547) 12.648 1.966 ( -6.600 0.621 9.726) 11.770 2.166 ( -3.775 -4.414 -2.457) 6.306 2.393 ( -2.378 2.983 3.102) 4.917 2.412 ( -1.729 8.667 8.876) 12.526 2.786 ( -1.376 0.252 2.587) 2.941 2.876 ( -3.751 -12.714 2.008) 13.407 3.059 ( -2.457 0.136 -4.916) 5.497 3.488 ( -5.783 -5.957 2.973) 8.818 3.733 ( -2.412 -1.536 -1.354) 3.163 4.728 ( 4.177 -2.592 -9.334) 10.549 5.323 ( -1.793 1.127 1.650) 2.685 5.632 ( -1.519 -1.568 2.440) 3.274 5.963 ( -1.210 4.750 -4.971) 6.981 6.798 ( -0.478 1.741 0.279) 1.826 6.903 ( -1.072 -4.885 2.354) 5.528 9.515 ( -1.967 1.826 4.905) 5.591 10.970 ( -3.636 1.473 7.781) 8.714 11.584 ( 2.474 3.409 -6.963) 8.138 11.660 ( 1.579 -1.123 -5.738) 6.057 12.403 ( 0.363 -6.535 -0.696) 6.582 12.737 ( -2.194 1.936 3.830) 4.820 12.994 ( -0.839 0.506 1.770) 2.023 13.380 ( -0.426 -2.865 -0.734) 2.988 ======================= Grid point 322 (165/201) ======================= q-point: (-0.12 -0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 13.500 0.000 -5.761) 14.678 1.970 ( -6.065 -0.000 11.143) 12.686 2.044 ( -6.811 -0.000 -2.770) 7.352 2.370 ( -4.413 -0.000 0.061) 4.413 2.564 ( -2.811 -0.000 14.148) 14.425 2.644 ( -7.327 -0.000 0.421) 7.339 2.794 ( -0.002 -0.000 -1.858) 1.858 3.067 ( 2.155 0.000 3.073) 3.753 3.392 ( -3.781 -0.000 1.728) 4.157 3.696 ( 0.506 0.000 -4.857) 4.883 4.707 ( 3.313 0.000 -8.680) 9.291 5.323 ( -1.561 -0.000 2.071) 2.593 5.620 ( -0.478 -0.000 2.920) 2.959 5.962 ( -2.149 -0.000 -3.671) 4.254 6.826 ( -1.203 -0.000 3.539) 3.738 6.843 ( -0.090 -0.000 -1.423) 1.426 9.532 ( -1.980 -0.000 4.742) 5.138 10.979 ( -3.778 -0.000 8.314) 9.132 11.609 ( -0.124 -0.000 -3.071) 3.073 11.639 ( 3.953 0.000 -9.910) 10.670 12.349 ( 0.472 0.000 -0.498) 0.686 12.748 ( -2.114 -0.000 3.959) 4.488 13.002 ( -0.302 -0.000 2.027) 2.049 13.345 ( -0.482 -0.000 -1.268) 1.357 ======================= Grid point 323 (166/201) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 3.546 0.000 -9.624) 10.257 2.020 ( -1.536 -0.000 2.697) 3.104 2.080 ( -6.696 -0.000 5.633) 8.750 2.300 ( -1.685 -0.000 2.397) 2.930 2.420 ( -3.257 -0.000 -1.824) 3.733 2.580 ( 2.435 0.000 -7.188) 7.589 2.857 ( 1.819 0.000 3.732) 4.152 3.378 ( 0.505 0.000 5.048) 5.073 3.469 ( -0.465 -0.000 3.958) 3.985 3.601 ( 4.431 0.000 -3.976) 5.953 4.519 ( 1.193 0.000 -5.327) 5.459 5.408 ( -0.283 -0.000 3.026) 3.039 5.721 ( 0.675 0.000 1.544) 1.685 5.877 ( -0.196 -0.000 -0.939) 0.959 6.787 ( -0.029 -0.000 -1.141) 1.141 6.867 ( -0.600 -0.000 1.001) 1.167 9.589 ( -0.674 -0.000 1.349) 1.508 11.178 ( -4.186 -0.000 10.382) 11.194 11.416 ( 4.452 0.000 -10.830) 11.709 11.530 ( -0.021 -0.000 -1.245) 1.245 12.359 ( 0.393 0.000 -0.003) 0.393 12.802 ( -0.684 -0.000 1.555) 1.699 13.050 ( 0.145 0.000 0.740) 0.754 13.305 ( -0.160 -0.000 -0.498) 0.523 ======================= Grid point 324 (167/201) ======================= q-point: ( 0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.208 -7.479 -5.926) 9.545 1.980 ( -1.429 3.350 5.026) 6.207 2.059 ( -6.877 -2.153 6.151) 9.474 2.301 ( -0.296 0.253 3.085) 3.110 2.375 ( -4.993 -0.918 -0.518) 5.104 2.583 ( 4.234 0.882 -4.983) 6.598 2.939 ( 3.881 -4.619 0.567) 6.059 3.388 ( -0.227 0.074 0.792) 0.827 3.519 ( 4.743 -2.792 2.023) 5.863 3.707 ( 6.278 -5.659 -3.789) 9.263 4.533 ( 0.552 -3.098 -4.250) 5.288 5.420 ( 0.324 0.101 2.222) 2.248 5.745 ( 0.248 -1.582 0.587) 1.706 5.832 ( -0.120 4.587 -0.825) 4.662 6.748 ( 0.678 3.107 -0.595) 3.236 6.927 ( -0.260 -5.534 0.956) 5.622 9.573 ( -0.658 1.811 1.470) 2.424 11.159 ( -3.978 2.442 10.010) 11.045 11.382 ( 4.402 3.649 -10.382) 11.852 11.548 ( 0.564 -2.039 -1.072) 2.372 12.419 ( 0.412 -6.696 -0.391) 6.720 12.785 ( -0.437 2.074 1.489) 2.590 13.044 ( 0.216 1.199 0.355) 1.269 13.337 ( -0.055 -3.957 0.045) 3.958 ======================= Grid point 325 (168/201) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -2.768 -7.103 1.170) 7.713 1.950 ( 0.369 2.547 4.441) 5.133 2.055 ( -5.137 -2.065 7.044) 8.959 2.296 ( -0.534 2.169 2.678) 3.487 2.344 ( -5.075 -2.582 -1.025) 5.786 2.601 ( 3.880 0.049 -2.040) 4.384 3.081 ( 4.145 -7.077 -1.413) 8.322 3.387 ( 1.217 0.023 -3.827) 4.015 3.669 ( 9.626 -4.025 0.903) 10.473 3.846 ( 1.305 -7.561 -2.398) 8.039 4.585 ( 0.447 -4.361 -3.530) 5.629 5.430 ( 0.532 0.267 1.466) 1.582 5.712 ( -0.631 7.309 -0.398) 7.347 5.793 ( 0.410 -2.151 -0.311) 2.212 6.711 ( 1.271 2.287 -0.446) 2.654 7.023 ( -0.186 -5.543 0.975) 5.631 9.535 ( -0.629 2.622 1.579) 3.125 11.112 ( -3.624 3.327 9.187) 10.421 11.313 ( 4.334 4.435 -10.175) 11.916 11.587 ( 0.793 -2.012 -0.647) 2.257 12.566 ( -0.088 -10.608 -0.571) 10.623 12.747 ( -0.203 2.591 1.291) 2.902 13.017 ( 0.499 2.767 0.181) 2.818 13.418 ( -0.045 -5.197 0.652) 5.238 ======================= Grid point 326 (169/201) ======================= q-point: ( 0.38 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -0.062 -7.050 3.530) 7.884 1.918 ( -2.508 3.201 5.686) 6.990 2.092 ( -0.711 -2.533 5.236) 5.860 2.257 ( 0.076 2.526 2.020) 3.235 2.327 ( -4.978 -2.339 -1.912) 5.823 2.647 ( 2.620 -1.481 0.500) 3.051 3.216 ( 2.380 -4.867 -1.911) 5.745 3.364 ( 1.322 2.156 -5.267) 5.843 3.829 ( 10.176 -1.302 -0.412) 10.267 3.946 ( -4.171 -6.901 0.104) 8.064 4.642 ( 1.049 -3.379 -3.705) 5.123 5.433 ( -0.271 0.731 2.041) 2.185 5.582 ( 0.301 6.286 -2.268) 6.690 5.831 ( -0.335 -1.783 1.022) 2.083 6.697 ( 1.295 1.016 -0.566) 1.740 7.100 ( -0.200 -3.355 0.739) 3.441 9.497 ( -0.611 1.877 1.597) 2.539 11.064 ( -3.245 2.460 8.073) 9.042 11.252 ( 4.123 2.762 -9.762) 10.951 11.620 ( 0.688 -1.270 -0.474) 1.520 12.712 ( -0.319 0.975 1.245) 1.614 12.737 ( -0.932 -9.716 -0.481) 9.772 12.964 ( 1.089 5.027 0.210) 5.148 13.495 ( -0.141 -3.582 0.939) 3.706 ======================= Grid point 327 (170/201) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -2.660 3.566 5.166) 6.818 1.902 ( 4.544 -7.241 -0.936) 8.600 2.122 ( -5.965 -1.450 5.195) 8.042 2.270 ( 5.789 0.364 1.042) 5.893 2.295 ( -3.919 -1.203 -2.517) 4.810 2.697 ( 0.931 -1.570 0.169) 1.834 3.242 ( -2.358 1.560 0.551) 2.880 3.310 ( 2.069 3.626 -3.398) 5.382 3.891 ( -0.620 0.767 -0.122) 0.994 3.980 ( -0.019 0.531 1.825) 1.901 4.673 ( 1.909 -0.492 -4.405) 4.826 5.405 ( -2.395 2.353 4.585) 5.683 5.542 ( 2.069 -2.171 -4.924) 5.765 5.842 ( -0.902 0.800 2.360) 2.650 6.698 ( 0.686 -0.214 -0.972) 1.208 7.130 ( -0.208 -0.120 0.493) 0.549 9.481 ( -0.636 -0.078 1.517) 1.647 11.043 ( -3.161 0.079 7.447) 8.090 11.230 ( 3.989 -0.068 -9.414) 10.224 11.636 ( 0.364 -0.313 -0.774) 0.911 12.700 ( -0.477 0.018 1.149) 1.244 12.856 ( -0.070 0.331 0.095) 0.351 12.886 ( -0.175 0.143 0.341) 0.409 13.530 ( -0.305 -0.254 0.756) 0.853 ======================= Grid point 328 (171/201) ======================= q-point: (-0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.572 5.752 0.699) 6.003 2.032 ( -5.374 -3.910 -2.350) 7.049 2.109 ( 0.702 -3.290 1.677) 3.759 2.281 ( -0.943 -2.233 -0.473) 2.470 2.338 ( 5.968 0.063 -1.048) 6.059 2.702 ( -0.940 0.190 -4.063) 4.175 3.160 ( -3.920 5.166 4.479) 7.881 3.248 ( 0.845 4.883 1.897) 5.306 3.802 ( -10.188 2.556 2.567) 10.813 3.935 ( 3.671 8.381 1.223) 9.231 4.658 ( 2.469 2.488 -5.056) 6.152 5.378 ( -2.369 0.304 5.100) 5.632 5.624 ( 1.649 -7.278 -4.645) 8.790 5.809 ( -0.994 3.245 3.122) 4.611 6.708 ( -0.152 -1.328 -1.428) 1.955 7.103 ( -0.353 3.174 0.504) 3.233 9.499 ( -0.675 -2.003 1.399) 2.535 11.061 ( -3.527 -2.291 8.056) 9.088 11.255 ( 4.064 -2.900 -9.723) 10.930 11.630 ( -0.006 0.727 -1.361) 1.543 12.713 ( -0.789 -1.419 1.302) 2.082 12.728 ( 1.175 10.565 0.223) 10.633 12.957 ( -1.477 -4.566 0.849) 4.874 13.503 ( -0.448 3.158 0.233) 3.199 ======================= Grid point 329 (172/201) ======================= q-point: (-0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 4.890 8.733 -3.683) 10.665 1.986 ( -9.215 -3.582 2.460) 10.188 2.155 ( 2.985 1.246 -2.261) 3.947 2.337 ( -0.593 -2.479 -1.532) 2.973 2.391 ( 4.147 -2.411 -3.276) 5.809 2.646 ( -1.983 0.683 -6.495) 6.825 3.019 ( -3.287 8.854 3.798) 10.179 3.231 ( 0.828 1.053 8.898) 8.998 3.646 ( -9.952 3.988 3.504) 11.280 3.808 ( 0.991 10.179 1.185) 10.295 4.608 ( 2.487 3.653 -5.463) 7.027 5.384 ( -1.641 -0.572 4.768) 5.075 5.748 ( 0.712 -7.767 -3.393) 8.506 5.756 ( -0.377 3.633 3.151) 4.824 6.727 ( -0.692 -2.382 -1.566) 2.934 7.028 ( -0.623 5.437 0.637) 5.510 9.538 ( -0.690 -2.684 1.310) 3.065 11.107 ( -3.918 -3.209 9.161) 10.468 11.317 ( 4.048 -4.509 -10.106) 11.783 11.601 ( -0.214 1.680 -1.894) 2.540 12.555 ( 0.541 10.878 0.365) 10.898 12.747 ( -0.877 -2.638 1.324) 3.079 13.006 ( -0.688 -2.457 1.222) 2.829 13.428 ( -0.468 4.964 -0.326) 4.997 ======================= Grid point 330 (173/201) ======================= q-point: (-0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 4.784 8.719 -7.685) 12.568 1.994 ( -4.293 -4.013 3.423) 6.801 2.134 ( -0.663 2.384 0.902) 2.633 2.320 ( -3.942 -0.516 0.476) 4.004 2.440 ( 1.957 -1.046 -5.863) 6.269 2.602 ( -1.144 -0.634 -6.525) 6.655 2.881 ( -1.705 6.004 5.753) 8.488 3.302 ( 3.083 -1.877 7.780) 8.576 3.511 ( -5.223 3.610 3.119) 7.074 3.663 ( -0.805 7.109 0.010) 7.154 4.552 ( 1.964 2.772 -5.698) 6.634 5.397 ( -0.943 -0.314 3.870) 3.996 5.721 ( 0.395 2.071 2.658) 3.393 5.845 ( 0.085 -4.672 -1.938) 5.059 6.758 ( -0.651 -3.110 -1.307) 3.436 6.931 ( -0.739 5.495 0.684) 5.586 9.575 ( -0.684 -1.825 1.290) 2.337 11.155 ( -4.127 -2.407 10.008) 11.090 11.384 ( 4.083 -3.642 -10.331) 11.691 11.558 ( -0.187 1.923 -1.949) 2.745 12.411 ( 0.293 6.781 0.286) 6.793 12.785 ( -0.831 -2.104 1.463) 2.694 13.036 ( -0.079 -1.098 1.135) 1.581 13.345 ( -0.338 3.895 -0.630) 3.960 ======================= Grid point 332 (174/201) ======================= q-point: ( 0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -1.331 -0.000 -8.225) 8.332 1.989 ( -7.331 -0.000 11.837) 13.923 2.039 ( 1.258 0.000 2.815) 3.083 2.279 ( -6.639 -0.000 5.028) 8.328 2.346 ( 0.056 0.000 1.795) 1.796 2.627 ( 4.637 0.000 -2.424) 5.233 2.951 ( 5.743 0.000 -2.619) 6.312 3.386 ( 0.598 0.000 -2.495) 2.566 3.527 ( 3.128 0.000 2.005) 3.716 3.763 ( 12.233 0.000 -5.375) 13.362 4.489 ( -0.088 -0.000 -3.922) 3.923 5.437 ( 1.207 0.000 1.184) 1.691 5.733 ( 0.349 0.000 -1.166) 1.217 5.864 ( -0.595 -0.000 -0.198) 0.627 6.797 ( 1.456 0.000 -0.083) 1.459 6.871 ( -0.143 -0.000 1.453) 1.460 9.588 ( -0.646 -0.000 1.582) 1.709 11.183 ( -4.030 -0.000 10.125) 10.897 11.417 ( 4.751 0.000 -10.745) 11.749 11.533 ( 0.835 0.000 -0.122) 0.844 12.366 ( 0.598 0.000 -0.822) 1.017 12.806 ( -0.282 -0.000 1.578) 1.603 13.057 ( 0.221 0.000 -0.157) 0.271 13.304 ( 0.186 0.000 0.252) 0.313 ======================= Grid point 333 (175/201) ======================= q-point: ( 0.25 0.12 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -3.670 -9.136 -4.885) 10.991 1.969 ( -4.852 1.009 10.997) 12.062 2.078 ( 3.372 0.040 4.527) 5.645 2.241 ( -6.764 -1.589 4.709) 8.394 2.345 ( 0.010 1.979 3.078) 3.659 2.654 ( 3.974 1.352 -0.228) 4.204 3.031 ( 5.478 -3.978 -4.145) 7.938 3.380 ( 2.277 -0.112 -6.412) 6.805 3.636 ( 3.728 -6.826 1.396) 7.902 3.863 ( 10.907 0.860 -4.547) 11.848 4.500 ( -0.367 -3.607 -3.570) 5.088 5.454 ( 1.944 0.490 0.504) 2.067 5.743 ( -0.023 -1.389 -1.283) 1.891 5.819 ( -0.619 4.169 -0.733) 4.278 6.774 ( 1.589 3.277 0.326) 3.656 6.937 ( 0.120 -5.292 1.426) 5.482 9.574 ( -0.629 1.793 1.686) 2.540 11.164 ( -3.860 2.417 9.609) 10.634 11.386 ( 4.584 3.785 -10.119) 11.736 11.563 ( 1.190 -1.846 -0.122) 2.200 12.421 ( 0.382 -6.295 -1.090) 6.400 12.793 ( -0.066 2.083 1.468) 2.549 13.050 ( 0.288 0.906 -0.378) 1.023 13.343 ( 0.276 -3.918 0.664) 3.984 ======================= Grid point 334 (176/201) ======================= q-point: ( 0.38 0.12 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -2.588 -12.185 -0.402) 12.463 1.941 ( -4.139 2.190 8.730) 9.906 2.139 ( 2.948 1.536 7.369) 8.084 2.222 ( -5.247 -2.520 1.130) 5.929 2.319 ( 1.161 2.470 3.179) 4.189 2.677 ( 2.998 0.751 1.333) 3.366 3.147 ( 3.541 -5.650 -3.822) 7.685 3.375 ( 2.889 0.323 -8.597) 9.075 3.793 ( -0.190 -7.640 -0.203) 7.645 3.936 ( 9.595 1.093 -1.446) 9.765 4.558 ( 0.166 -5.326 -3.739) 6.510 5.463 ( 1.675 1.339 0.719) 2.262 5.691 ( -1.116 7.051 -0.151) 7.140 5.791 ( 0.426 -2.511 -1.802) 3.120 6.742 ( 1.512 2.716 -0.037) 3.109 7.031 ( -0.056 -5.113 1.300) 5.276 9.537 ( -0.594 2.625 1.715) 3.192 11.116 ( -3.618 3.326 8.950) 10.211 11.316 ( 4.425 4.680 -9.992) 11.888 11.604 ( 1.065 -1.585 -0.143) 1.915 12.553 ( -0.378 -9.819 -0.947) 9.872 12.757 ( 0.013 2.785 1.248) 3.052 13.031 ( 0.700 2.011 -0.208) 2.140 13.427 ( 0.163 -4.999 0.990) 5.099 ======================= Grid point 335 (177/201) ======================= q-point: ( 0.50 0.12 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -0.571 -10.959 1.460) 11.070 1.891 ( -2.448 2.329 4.230) 5.414 2.114 ( -4.070 3.456 6.285) 8.247 2.219 ( -2.710 -1.988 -0.565) 3.408 2.362 ( 7.072 0.530 3.377) 7.855 2.701 ( 1.378 0.237 1.176) 1.827 3.222 ( -0.754 -2.026 -1.029) 2.394 3.356 ( 3.360 1.174 -7.417) 8.227 3.832 ( -4.810 -1.546 -1.049) 5.160 4.040 ( 7.579 -0.934 1.173) 7.726 4.630 ( 1.166 -4.335 -4.181) 6.135 5.448 ( -0.801 2.605 3.368) 4.333 5.570 ( 1.053 5.209 -3.286) 6.248 5.830 ( -0.344 -2.021 0.408) 2.090 6.717 ( 0.970 1.834 -0.784) 2.218 7.104 ( -0.134 -3.050 0.889) 3.180 9.499 ( -0.578 1.965 1.644) 2.626 11.067 ( -3.309 2.589 8.061) 9.090 11.253 ( 4.187 2.874 -9.762) 11.004 11.631 ( 0.661 -0.639 -0.392) 1.000 12.705 ( -1.061 -8.934 -0.164) 8.998 12.721 ( -0.251 1.151 0.889) 1.476 12.991 ( 1.130 4.365 0.095) 4.510 13.502 ( -0.081 -3.207 1.006) 3.362 ======================= Grid point 336 (178/201) ======================= q-point: (-0.38 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -2.425 0.859 3.599) 4.424 1.916 ( -3.932 -2.798 -2.348) 5.367 2.079 ( 1.356 -2.142 3.086) 3.994 2.232 ( -1.314 -2.515 0.419) 2.868 2.428 ( 6.247 2.321 0.977) 6.735 2.693 ( -0.459 1.535 -2.554) 3.016 3.201 ( -2.865 1.654 4.666) 5.720 3.338 ( 3.042 2.931 -3.305) 5.363 3.757 ( -6.621 2.352 -0.040) 7.027 4.090 ( 4.230 4.052 1.133) 5.967 4.672 ( 1.727 -1.036 -4.469) 4.901 5.400 ( -2.095 2.345 5.222) 6.095 5.544 ( 2.143 -1.714 -4.750) 5.486 5.843 ( -0.958 0.492 2.238) 2.484 6.697 ( 0.273 0.723 -1.521) 1.706 7.131 ( -0.140 0.107 0.494) 0.524 9.482 ( -0.615 0.069 1.516) 1.638 11.042 ( -3.142 0.256 7.454) 8.093 11.230 ( 3.976 -0.042 -9.424) 10.229 11.635 ( 0.256 0.389 -0.845) 0.965 12.700 ( -0.462 0.390 1.143) 1.293 12.838 ( -1.030 -7.348 0.285) 7.425 12.904 ( 0.877 7.639 0.265) 7.694 13.530 ( -0.325 0.206 0.733) 0.827 ======================= Grid point 337 (179/201) ======================= q-point: (-0.25 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.199 3.694 -2.272) 4.499 1.853 ( -7.524 -2.273 4.147) 8.887 2.166 ( 1.504 -2.258 -0.464) 2.752 2.281 ( 0.239 -3.194 -0.603) 3.259 2.428 ( 2.370 2.681 -0.334) 3.594 2.625 ( -0.982 2.322 -5.969) 6.480 3.146 ( -1.198 6.379 4.256) 7.761 3.313 ( 2.419 2.398 4.178) 5.391 3.632 ( -5.209 4.272 -0.106) 6.738 4.006 ( 1.628 10.027 0.675) 10.181 4.659 ( 1.655 2.254 -4.445) 5.252 5.390 ( -0.909 0.192 4.990) 5.076 5.613 ( 0.889 -6.787 -3.760) 7.810 5.818 ( -0.759 2.615 2.872) 3.957 6.689 ( -0.083 -0.668 -1.802) 1.923 7.101 ( -0.278 3.440 0.431) 3.478 9.497 ( -0.662 -1.892 1.416) 2.454 11.059 ( -3.387 -2.243 8.061) 9.027 11.254 ( 4.026 -2.768 -9.727) 10.885 11.618 ( 0.072 1.324 -1.251) 1.823 12.709 ( -0.651 -1.334 1.305) 1.977 12.750 ( 0.622 11.080 0.083) 11.098 12.941 ( -0.628 -5.226 0.818) 5.326 13.496 ( -0.426 3.550 0.362) 3.594 ======================= Grid point 338 (180/201) ======================= q-point: (-0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -1.596 6.789 -2.302) 7.345 1.900 ( -0.888 -4.636 3.420) 5.829 2.155 ( -4.624 2.290 2.354) 5.672 2.290 ( -1.522 -0.335 1.322) 2.044 2.424 ( 0.232 -0.004 -2.692) 2.702 2.573 ( 1.479 0.556 -6.366) 6.559 3.019 ( 0.569 8.751 2.683) 9.171 3.355 ( 2.733 -0.217 5.793) 6.409 3.530 ( 0.129 3.719 -1.150) 3.894 3.836 ( 1.013 11.446 -0.295) 11.495 4.603 ( 1.199 3.781 -4.327) 5.870 5.405 ( -0.250 -0.128 3.656) 3.667 5.730 ( -0.177 -7.504 -1.627) 7.680 5.778 ( 0.257 2.622 1.731) 3.153 6.704 ( 0.117 -2.156 -1.402) 2.575 7.022 ( -0.411 5.677 0.644) 5.728 9.535 ( -0.672 -2.639 1.402) 3.063 11.108 ( -3.759 -3.273 9.248) 10.505 11.313 ( 4.179 -4.356 -10.191) 11.845 11.585 ( 0.214 2.043 -1.401) 2.487 12.566 ( 0.271 11.036 -0.010) 11.039 12.744 ( -0.547 -2.542 1.317) 2.915 13.007 ( -0.023 -2.935 0.797) 3.041 13.418 ( -0.315 5.181 0.097) 5.192 ======================= Grid point 341 (181/201) ======================= q-point: ( 0.25 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -5.325 -0.000 -8.143) 9.729 1.999 ( -1.327 -0.000 9.426) 9.519 2.131 ( 4.274 0.000 3.620) 5.601 2.199 ( -6.058 -0.000 10.683) 12.281 2.381 ( -0.012 -0.000 4.002) 4.003 2.710 ( 3.192 0.000 1.523) 3.537 3.031 ( 4.726 0.000 -5.760) 7.450 3.371 ( 2.401 0.000 -8.366) 8.703 3.627 ( 4.678 0.000 0.422) 4.697 3.975 ( 10.537 0.000 -4.101) 11.307 4.443 ( -0.835 -0.000 -3.847) 3.937 5.489 ( 3.109 0.000 0.204) 3.116 5.721 ( 0.333 0.000 -2.728) 2.749 5.842 ( -1.282 -0.000 -0.430) 1.352 6.839 ( 1.914 0.000 0.531) 1.986 6.885 ( -0.055 -0.000 1.859) 1.859 9.590 ( -0.650 -0.000 1.768) 1.884 11.186 ( -3.921 -0.000 9.391) 10.177 11.426 ( 4.743 0.000 -10.129) 11.184 11.560 ( 1.319 0.000 0.657) 1.473 12.368 ( 0.569 0.000 -1.420) 1.529 12.818 ( 0.022 0.000 1.558) 1.558 13.055 ( 0.047 0.000 -0.769) 0.771 13.316 ( 0.503 0.000 0.725) 0.882 ======================= Grid point 342 (182/201) ======================= q-point: ( 0.38 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -4.945 -13.369 -5.981) 15.459 2.004 ( 0.251 2.895 5.976) 6.646 2.170 ( -4.111 0.908 7.469) 8.574 2.224 ( 3.138 -0.237 7.676) 8.296 2.382 ( 0.653 1.506 5.058) 5.318 2.737 ( 2.591 1.425 2.191) 3.680 3.080 ( 2.698 -3.906 -4.982) 6.881 3.360 ( 2.524 -0.491 -10.091) 10.413 3.710 ( 2.774 -3.753 -0.228) 4.673 4.048 ( 7.925 1.290 -1.846) 8.239 4.454 ( -0.284 -4.353 -4.497) 6.265 5.515 ( 2.731 1.321 0.823) 3.144 5.728 ( -0.120 -1.374 -1.472) 2.017 5.791 ( -0.435 3.634 -2.299) 4.322 6.811 ( 1.263 3.531 0.553) 3.791 6.954 ( 0.113 -4.941 1.649) 5.210 9.576 ( -0.639 1.760 1.796) 2.594 11.165 ( -3.793 2.314 8.927) 9.971 11.395 ( 4.474 3.973 -9.546) 11.266 11.592 ( 1.304 -1.416 0.296) 1.948 12.416 ( 0.219 -5.774 -1.372) 5.939 12.807 ( 0.063 2.157 1.436) 2.592 13.050 ( 0.101 0.276 -0.664) 0.726 13.359 ( 0.467 -3.766 0.852) 3.889 ======================= Grid point 343 (183/201) ======================= q-point: ( 0.50 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -2.786 -17.611 -2.261) 17.973 1.964 ( 0.241 5.348 4.924) 7.273 2.137 ( -4.656 0.891 6.902) 8.373 2.220 ( 0.319 4.073 0.791) 4.161 2.453 ( 5.515 -1.285 7.256) 9.204 2.743 ( 1.617 1.812 1.717) 2.974 3.153 ( -0.410 -4.541 -2.036) 4.994 3.349 ( 2.212 -0.813 -9.624) 9.908 3.766 ( -0.780 -1.622 -1.479) 2.330 4.106 ( 5.044 -0.238 1.406) 5.241 4.529 ( 1.092 -6.423 -5.020) 8.225 5.505 ( -0.193 2.917 3.282) 4.395 5.669 ( 0.707 6.442 -2.576) 6.974 5.783 ( 0.511 -2.909 -2.223) 3.697 6.768 ( 0.850 3.276 -0.218) 3.392 7.042 ( -0.186 -4.720 1.445) 4.939 9.540 ( -0.604 2.616 1.744) 3.202 11.117 ( -3.642 3.223 8.640) 9.915 11.322 ( 4.323 4.973 -9.713) 11.737 11.625 ( 0.930 -0.973 -0.169) 1.356 12.536 ( -0.368 -9.134 -0.891) 9.185 12.768 ( -0.096 3.037 1.227) 3.277 13.041 ( 0.388 1.042 -0.196) 1.129 13.440 ( 0.199 -4.683 0.918) 4.776 ======================= Grid point 344 (184/201) ======================= q-point: (-0.38 -0.75 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.988 -11.579 0.801) 11.985 1.891 ( -0.585 4.882 2.220) 5.395 2.107 ( 0.315 1.857 3.183) 3.698 2.186 ( -0.984 -1.013 0.455) 1.484 2.537 ( 4.247 1.882 4.110) 6.203 2.720 ( 0.169 2.823 -0.866) 2.957 3.188 ( -2.218 -2.058 2.758) 4.094 3.356 ( 1.641 -1.439 -5.801) 6.198 3.739 ( -1.902 1.669 -1.781) 3.095 4.161 ( 1.799 -0.086 2.202) 2.844 4.621 ( 1.905 -4.879 -4.876) 7.156 5.448 ( -3.118 3.573 5.787) 7.482 5.578 ( 3.550 4.618 -5.697) 8.148 5.824 ( -0.689 -2.300 0.629) 2.482 6.723 ( 0.409 2.590 -1.041) 2.821 7.109 ( -0.229 -2.828 0.933) 2.987 9.501 ( -0.605 2.038 1.631) 2.680 11.068 ( -3.370 2.596 8.052) 9.106 11.255 ( 4.147 3.017 -9.757) 11.023 11.640 ( 0.508 -0.014 -0.569) 0.763 12.685 ( -0.522 -9.617 -0.178) 9.633 12.725 ( -0.365 2.328 1.115) 2.607 13.009 ( 0.361 3.810 0.160) 3.830 13.509 ( -0.122 -2.810 0.856) 2.940 ======================= Grid point 345 (185/201) ======================= q-point: (-0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -1.311 -2.383 0.986) 2.893 1.816 ( -3.158 3.015 4.074) 5.972 2.134 ( 1.573 -1.887 -1.006) 2.655 2.228 ( 0.104 -3.505 0.516) 3.544 2.508 ( -0.881 4.961 1.585) 5.282 2.650 ( 0.247 3.789 -3.378) 5.082 3.216 ( 0.080 0.219 4.261) 4.267 3.361 ( -0.029 -0.011 -0.496) 0.497 3.674 ( 0.941 3.907 -2.050) 4.512 4.141 ( -0.786 4.665 1.418) 4.939 4.669 ( 1.778 -0.968 -4.371) 4.817 5.408 ( -1.802 0.720 5.398) 5.736 5.546 ( 2.240 -0.140 -5.300) 5.755 5.841 ( -1.087 -0.094 2.373) 2.612 6.688 ( 0.320 1.266 -1.436) 1.941 7.131 ( -0.209 0.274 0.498) 0.605 9.482 ( -0.641 0.175 1.525) 1.663 11.043 ( -3.103 0.284 7.470) 8.094 11.230 ( 3.930 0.008 -9.441) 10.226 11.633 ( 0.308 0.862 -0.826) 1.233 12.700 ( -0.491 0.535 1.154) 1.364 12.828 ( -0.112 -7.967 0.344) 7.976 12.916 ( -0.044 7.906 0.174) 7.908 13.529 ( -0.323 0.546 0.741) 0.975 ======================= Grid point 346 (186/201) ======================= q-point: (-0.12 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -3.640 3.864 4.241) 6.795 1.867 ( 2.397 -2.697 1.368) 3.859 2.139 ( -4.589 1.116 2.439) 5.316 2.264 ( -1.684 -1.710 1.740) 2.965 2.425 ( -1.980 2.277 -1.638) 3.433 2.597 ( 2.448 2.364 -3.109) 4.609 3.174 ( 1.554 6.838 0.700) 7.048 3.376 ( 0.075 -1.218 1.071) 1.624 3.636 ( 6.793 4.265 -1.589) 8.177 4.011 ( -1.583 9.388 0.208) 9.523 4.652 ( 1.213 2.606 -3.827) 4.787 5.417 ( -0.410 -0.081 3.523) 3.548 5.597 ( 0.532 -6.509 -3.068) 7.215 5.826 ( -0.515 1.945 2.052) 2.874 6.681 ( 0.717 -0.543 -1.175) 1.480 7.099 ( -0.264 3.532 0.541) 3.583 9.496 ( -0.650 -1.836 1.503) 2.461 11.061 ( -3.254 -2.304 8.070) 9.001 11.252 ( 4.033 -2.723 -9.745) 10.893 11.613 ( 0.422 1.545 -0.849) 1.813 12.709 ( -0.462 -1.254 1.307) 1.869 12.754 ( -0.241 10.840 -0.241) 10.845 12.944 ( 0.372 -5.415 0.514) 5.452 13.493 ( -0.290 3.724 0.666) 3.794 ======================= Grid point 350 (187/201) ======================= q-point: ( 0.38 0.38 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -4.686 -0.000 -9.071) 10.210 2.046 ( 0.683 0.000 0.383) 0.783 2.240 ( -1.416 -0.000 15.068) 15.135 2.263 ( 3.720 0.000 4.578) 5.899 2.420 ( -0.172 -0.000 5.901) 5.904 2.786 ( 1.858 0.000 2.679) 3.261 3.042 ( 0.768 0.000 -4.675) 4.738 3.329 ( 1.719 0.000 -10.745) 10.882 3.717 ( 2.490 0.000 0.922) 2.656 4.121 ( 4.846 0.000 -1.339) 5.027 4.392 ( 0.482 0.000 -5.747) 5.767 5.559 ( 1.415 0.000 2.269) 2.674 5.704 ( 0.320 0.000 -2.420) 2.441 5.811 ( 0.655 0.000 -3.325) 3.389 6.879 ( 1.170 0.000 0.521) 1.281 6.898 ( -0.402 -0.000 2.033) 2.072 9.592 ( -0.672 -0.000 1.814) 1.935 11.184 ( -3.800 -0.000 8.602) 9.404 11.437 ( 4.391 0.000 -9.337) 10.318 11.595 ( 1.168 0.000 0.646) 1.335 12.365 ( 0.312 0.000 -1.431) 1.465 12.833 ( -0.044 -0.000 1.551) 1.552 13.045 ( -0.258 -0.000 -0.778) 0.819 13.335 ( 0.591 0.000 0.625) 0.861 ======================= Grid point 351 (188/201) ======================= q-point: (-0.50 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -1.993 -17.081 -6.223) 18.289 2.048 ( 0.997 0.660 -0.097) 1.199 2.199 ( -0.853 7.182 9.734) 12.127 2.304 ( 0.471 3.778 1.902) 4.256 2.493 ( 2.582 -3.719 8.982) 10.058 2.798 ( 1.293 1.717 1.777) 2.788 3.059 ( -1.553 -4.098 -1.818) 4.744 3.302 ( 0.707 -0.910 -10.033) 10.099 3.745 ( -0.094 -0.783 0.734) 1.078 4.147 ( 1.136 0.282 1.367) 1.800 4.421 ( 2.442 -4.997 -6.814) 8.796 5.554 ( -2.323 2.082 4.862) 5.776 5.712 ( -0.280 -1.367 -0.829) 1.623 5.782 ( 3.900 3.262 -6.769) 8.466 6.833 ( 0.307 3.731 0.517) 3.779 6.968 ( -0.340 -4.696 1.671) 4.996 9.578 ( -0.652 1.726 1.770) 2.557 11.162 ( -3.712 2.181 8.439) 9.474 11.404 ( 4.113 4.128 -9.078) 10.788 11.618 ( 0.918 -0.997 -0.029) 1.356 12.407 ( 0.038 -5.452 -1.079) 5.558 12.818 ( -0.270 2.282 1.427) 2.705 13.043 ( -0.249 -0.370 -0.357) 0.571 13.375 ( 0.403 -3.583 0.495) 3.639 ======================= Grid point 352 (189/201) ======================= q-point: (-0.38 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.559 -19.111 -1.428) 19.172 2.023 ( 2.963 6.510 -0.529) 7.172 2.130 ( -2.123 1.439 6.845) 7.310 2.225 ( 0.575 5.291 -0.532) 5.349 2.598 ( 0.735 -0.862 5.766) 5.876 2.773 ( 0.541 3.137 0.010) 3.184 3.114 ( -2.408 -5.072 2.032) 5.971 3.292 ( -0.558 -2.713 -6.684) 7.235 3.743 ( -0.306 0.340 -0.968) 1.071 4.158 ( -2.593 -1.089 3.678) 4.630 4.525 ( 3.420 -6.594 -6.475) 9.854 5.492 ( -4.752 3.378 6.477) 8.715 5.690 ( 4.019 5.455 -5.086) 8.472 5.773 ( 0.523 -2.278 -2.337) 3.305 6.775 ( 0.104 3.638 -0.259) 3.648 7.047 ( -0.547 -4.589 1.443) 4.842 9.542 ( -0.638 2.618 1.672) 3.171 11.116 ( -3.674 3.091 8.504) 9.766 11.325 ( 4.106 5.160 -9.574) 11.625 11.639 ( 0.582 -0.553 -0.636) 1.024 12.524 ( -0.038 -8.978 -0.490) 8.992 12.773 ( -0.540 3.178 1.248) 3.457 13.042 ( -0.342 0.460 0.177) 0.600 13.450 ( 0.058 -4.438 0.491) 4.466 ======================= Grid point 353 (190/201) ======================= q-point: (-0.25 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -1.135 -11.176 2.797) 11.577 1.917 ( 1.678 8.191 1.347) 8.469 2.155 ( 2.679 1.029 -1.163) 3.097 2.179 ( -0.131 -1.608 0.867) 1.832 2.561 ( -5.219 4.123 2.012) 6.949 2.715 ( 0.803 4.091 -0.723) 4.232 3.194 ( 0.002 -4.618 3.163) 5.597 3.310 ( -2.359 -3.225 -2.126) 4.527 3.735 ( 2.930 1.143 -1.777) 3.613 4.150 ( -5.089 -0.628 3.269) 6.081 4.627 ( 2.885 -4.406 -5.317) 7.483 5.424 ( -3.834 1.951 6.004) 7.386 5.608 ( 4.020 6.002 -6.625) 9.801 5.813 ( -1.187 -2.732 1.632) 3.396 6.720 ( 0.229 2.776 -0.804) 2.899 7.110 ( -0.422 -2.789 0.861) 2.949 9.502 ( -0.663 2.082 1.565) 2.687 11.067 ( -3.451 2.505 8.054) 9.113 11.255 ( 4.087 3.099 -9.750) 11.016 11.643 ( 0.374 0.219 -0.852) 0.956 12.682 ( 0.374 -9.834 0.047) 9.841 12.724 ( -0.642 2.355 1.167) 2.706 13.007 ( -0.792 3.616 0.353) 3.718 13.512 ( -0.227 -2.627 0.587) 2.702 ======================= Grid point 354 (191/201) ======================= q-point: (-0.12 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.363 2.871 4.181) 5.085 1.839 ( 0.285 -1.924 3.595) 4.088 2.143 ( 0.970 2.168 -1.264) 2.691 2.222 ( -1.463 -2.041 1.777) 3.076 2.427 ( -5.740 3.340 -0.574) 6.666 2.663 ( 1.701 3.401 -0.082) 3.803 3.254 ( 1.265 0.502 -0.321) 1.398 3.328 ( -1.779 -3.387 -0.589) 3.871 3.761 ( 7.359 1.583 -1.228) 7.627 4.084 ( -5.621 3.241 1.771) 6.726 4.671 ( 1.957 -0.329 -4.308) 4.743 5.413 ( -2.104 -1.203 4.787) 5.365 5.544 ( 2.152 1.521 -5.514) 6.112 5.840 ( -1.031 -0.655 2.499) 2.781 6.689 ( 0.739 1.047 -0.878) 1.554 7.131 ( -0.276 0.278 0.498) 0.633 9.482 ( -0.663 0.179 1.525) 1.673 11.043 ( -3.123 0.145 7.463) 8.091 11.229 ( 3.943 0.053 -9.431) 10.222 11.634 ( 0.417 0.831 -0.756) 1.198 12.700 ( -0.505 0.366 1.160) 1.317 12.839 ( 0.803 -7.735 0.251) 7.781 12.905 ( -1.052 7.356 0.153) 7.432 13.529 ( -0.304 0.566 0.764) 0.998 ======================= Grid point 359 (192/201) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 2.000 0.000 -7.934) 8.182 2.049 ( -0.203 -0.000 0.298) 0.360 2.337 ( 1.452 0.000 3.527) 3.814 2.347 ( 0.124 0.000 3.458) 3.460 2.501 ( 1.747 0.000 8.188) 8.373 2.831 ( 0.607 0.000 1.087) 1.245 2.989 ( -3.540 -0.000 0.241) 3.548 3.253 ( -0.472 -0.000 -8.499) 8.512 3.730 ( -3.194 -0.000 3.398) 4.663 4.151 ( -2.323 -0.000 1.845) 2.966 4.381 ( 4.703 0.000 -8.189) 9.443 5.557 ( -5.076 -0.000 6.421) 8.185 5.689 ( -0.361 -0.000 -1.091) 1.149 5.833 ( 5.847 0.000 -8.093) 9.984 6.895 ( -0.061 -0.000 0.411) 0.415 6.903 ( -0.892 -0.000 2.124) 2.304 9.594 ( -0.650 -0.000 1.732) 1.850 11.179 ( -3.692 -0.000 8.338) 9.119 11.444 ( 3.925 0.000 -8.999) 9.818 11.617 ( 0.531 0.000 -0.083) 0.538 12.357 ( -0.024 -0.000 -0.864) 0.864 12.841 ( -0.595 -0.000 1.527) 1.638 13.033 ( -0.435 -0.000 -0.121) 0.452 13.349 ( 0.372 0.000 0.010) 0.373 ======================= Grid point 360 (193/201) ======================= q-point: (-0.38 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 4.669 -17.396 -4.126) 18.478 2.058 ( 0.420 -1.022 -0.182) 1.120 2.264 ( 0.285 8.540 3.149) 9.107 2.318 ( 0.854 4.637 -0.081) 4.716 2.587 ( -0.382 -2.215 3.901) 4.502 2.819 ( -0.065 1.895 -0.481) 1.956 3.002 ( -3.801 -5.563 3.665) 7.670 3.218 ( -1.916 -1.185 -4.836) 5.335 3.716 ( -3.774 -1.571 2.662) 4.878 4.117 ( -6.137 -0.048 4.071) 7.365 4.444 ( 5.724 -4.606 -8.140) 10.966 5.508 ( -5.999 1.939 6.782) 9.259 5.698 ( -0.843 -2.136 0.289) 2.314 5.825 ( 5.896 4.113 -8.688) 11.276 6.835 ( -0.550 3.766 0.476) 3.836 6.969 ( -0.933 -4.705 1.623) 5.064 9.580 ( -0.636 1.733 1.640) 2.469 11.159 ( -3.706 2.122 8.488) 9.502 11.407 ( 3.759 4.164 -9.082) 10.674 11.628 ( 0.284 -0.872 -0.858) 1.256 12.400 ( -0.056 -5.550 -0.412) 5.566 12.819 ( -0.893 2.335 1.411) 2.871 13.034 ( -0.536 -0.528 0.411) 0.857 13.383 ( 0.110 -3.509 -0.189) 3.516 ======================= Grid point 361 (194/201) ======================= q-point: (-0.25 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 3.466 -16.933 0.471) 17.290 2.073 ( 3.904 3.173 -4.905) 7.026 2.157 ( -0.541 3.667 4.891) 6.137 2.248 ( 2.383 4.779 -1.043) 5.441 2.549 ( -7.255 2.614 0.651) 7.740 2.774 ( -0.027 2.695 -1.145) 2.928 3.104 ( -1.226 -7.308 3.445) 8.172 3.213 ( -3.568 -3.121 -0.075) 4.741 3.738 ( 0.098 -2.934 0.556) 2.988 4.066 ( -9.258 -1.523 5.097) 10.678 4.555 ( 4.684 -5.478 -6.818) 9.921 5.440 ( -5.100 2.266 6.313) 8.426 5.726 ( 2.004 2.408 -1.920) 3.674 5.763 ( 1.311 1.196 -4.017) 4.391 6.770 ( -0.370 3.478 -0.269) 3.508 7.045 ( -0.828 -4.728 1.286) 4.969 9.542 ( -0.665 2.660 1.528) 3.138 11.113 ( -3.779 3.049 8.641) 9.911 11.325 ( 3.957 5.116 -9.677) 11.639 11.638 ( 0.170 -0.612 -1.288) 1.436 12.526 ( 0.373 -9.423 0.006) 9.431 12.768 ( -0.978 3.081 1.288) 3.480 13.031 ( -1.012 0.675 0.728) 1.418 13.450 ( -0.191 -4.430 -0.040) 4.434 ======================= Grid point 362 (195/201) ======================= q-point: (-0.12 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.664 -9.546 3.502) 10.190 1.987 ( 4.890 8.530 -1.988) 10.031 2.174 ( -1.984 -1.058 2.014) 3.018 2.222 ( 4.795 2.107 -1.545) 5.461 2.399 ( -8.687 3.262 -0.234) 9.283 2.727 ( 0.372 2.653 -0.667) 2.760 3.215 ( -0.654 -5.303 -0.376) 5.357 3.237 ( -3.086 -4.213 2.582) 5.826 3.817 ( 4.880 -2.819 -0.147) 5.638 4.014 ( -9.920 -2.347 3.816) 10.884 4.644 ( 3.097 -3.335 -5.354) 7.027 5.396 ( -3.488 0.343 5.377) 6.418 5.625 ( 2.903 7.218 -6.115) 9.895 5.806 ( -1.250 -3.277 2.722) 4.439 6.718 ( 0.138 2.207 -0.786) 2.347 7.107 ( -0.467 -2.921 0.693) 3.038 9.501 ( -0.689 2.079 1.467) 2.636 11.065 ( -3.539 2.389 8.056) 9.117 11.255 ( 4.076 3.049 -9.735) 10.985 11.640 ( 0.182 -0.084 -1.161) 1.178 12.700 ( 1.049 -10.277 0.253) 10.333 12.719 ( -0.789 2.058 1.185) 2.503 12.984 ( -1.578 3.902 0.625) 4.255 13.510 ( -0.357 -2.774 0.336) 2.817 ======================= Grid point 368 (196/201) ======================= q-point: (-0.38 -0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 10.041 0.000 -5.051) 11.239 2.051 ( 0.061 0.000 0.778) 0.780 2.318 ( -4.203 -0.000 0.099) 4.204 2.372 ( 1.486 0.000 -1.731) 2.281 2.602 ( 4.050 0.000 -2.517) 4.769 2.826 ( -0.907 -0.000 -1.460) 1.719 2.910 ( -6.504 -0.000 7.277) 9.760 3.171 ( -2.971 -0.000 0.117) 2.974 3.654 ( -6.774 -0.000 4.953) 8.391 4.057 ( -8.841 -0.000 4.593) 9.963 4.437 ( 6.919 0.000 -8.556) 11.004 5.488 ( -6.118 -0.000 6.447) 8.888 5.670 ( -1.050 -0.000 0.628) 1.224 5.884 ( 5.198 0.000 -8.220) 9.726 6.885 ( -1.084 -0.000 0.168) 1.097 6.899 ( -1.209 -0.000 2.048) 2.379 9.595 ( -0.611 -0.000 1.553) 1.669 11.176 ( -3.742 -0.000 8.721) 9.490 11.442 ( 3.614 0.000 -9.285) 9.963 11.614 ( -0.238 -0.000 -1.114) 1.139 12.350 ( -0.235 -0.000 -0.066) 0.244 12.834 ( -1.188 -0.000 1.460) 1.883 13.027 ( -0.418 -0.000 0.851) 0.949 13.350 ( -0.014 -0.000 -0.743) 0.744 ======================= Grid point 369 (197/201) ======================= q-point: (-0.25 -0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 9.679 -14.207 -2.886) 17.431 2.071 ( 1.041 -1.532 -0.183) 1.861 2.237 ( -3.270 2.935 -1.417) 4.617 2.348 ( 2.218 3.742 -2.309) 4.925 2.549 ( -1.810 6.058 -3.832) 7.393 2.785 ( -1.645 1.130 -2.900) 3.520 2.966 ( -3.864 -8.054 4.884) 10.181 3.155 ( -3.606 -0.698 5.976) 7.014 3.648 ( -4.862 -5.174 4.069) 8.184 3.968 ( -11.111 0.148 5.500) 12.398 4.503 ( 5.953 -3.504 -7.803) 10.422 5.442 ( -5.152 1.320 5.800) 7.869 5.685 ( -1.070 -2.586 1.854) 3.357 5.859 ( 3.722 4.627 -7.127) 9.276 6.819 ( -1.078 3.585 0.062) 3.744 6.958 ( -1.213 -4.932 1.384) 5.264 9.580 ( -0.633 1.781 1.442) 2.378 11.157 ( -3.864 2.185 9.000) 10.035 11.402 ( 3.612 4.033 -9.504) 10.938 11.615 ( -0.306 -1.121 -1.746) 2.097 12.398 ( -0.026 -6.000 0.248) 6.005 12.807 ( -1.252 2.256 1.404) 2.937 13.029 ( -0.624 -0.058 1.180) 1.336 13.377 ( -0.231 -3.592 -0.790) 3.685 ======================= Grid point 370 (198/201) ======================= q-point: (-0.12 -0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 5.628 -12.467 -0.486) 13.687 2.110 ( 3.813 -0.197 -4.684) 6.043 2.153 ( -4.432 2.368 0.883) 5.102 2.307 ( 3.872 3.163 -1.896) 5.347 2.388 ( -4.303 6.387 -0.930) 7.757 2.738 ( -1.312 0.620 -4.266) 4.506 3.078 ( -3.447 -8.186 1.138) 8.954 3.174 ( -2.910 -2.228 8.496) 9.253 3.757 ( 0.001 -8.986 2.403) 9.301 3.874 ( -11.688 -1.112 4.802) 12.685 4.591 ( 4.031 -4.223 -6.353) 8.628 5.396 ( -3.687 1.229 5.317) 6.586 5.741 ( -0.724 -3.273 2.792) 4.362 5.758 ( 2.071 7.045 -5.520) 9.186 6.754 ( -0.687 2.914 -0.816) 3.103 7.037 ( -0.810 -5.049 0.954) 5.202 9.541 ( -0.684 2.699 1.371) 3.104 11.110 ( -3.914 3.117 8.928) 10.234 11.321 ( 3.952 4.837 -9.915) 11.719 11.623 ( -0.183 -1.095 -1.817) 2.129 12.539 ( 0.603 -10.210 0.356) 10.234 12.757 ( -1.080 2.843 1.316) 3.314 13.015 ( -1.147 1.533 1.170) 2.244 13.442 ( -0.412 -4.656 -0.375) 4.689 ======================= Grid point 377 (199/201) ======================= q-point: (-0.25 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 12.525 0.000 -5.108) 13.526 2.070 ( 1.063 0.000 0.848) 1.360 2.189 ( -6.291 -0.000 -1.404) 6.445 2.381 ( 1.543 0.000 -3.391) 3.726 2.592 ( 2.028 0.000 -14.600) 14.741 2.770 ( -2.289 -0.000 -3.263) 3.986 2.848 ( -7.003 -0.000 11.346) 13.334 3.160 ( -1.828 -0.000 9.968) 10.134 3.552 ( -6.657 -0.000 5.467) 8.615 3.871 ( -11.950 -0.000 5.407) 13.116 4.502 ( 5.619 0.000 -7.871) 9.670 5.425 ( -4.272 -0.000 4.989) 6.568 5.663 ( -0.701 -0.000 2.398) 2.498 5.902 ( 2.379 0.000 -5.687) 6.165 6.854 ( -1.520 -0.000 -0.541) 1.613 6.889 ( -1.233 -0.000 1.628) 2.042 9.595 ( -0.627 -0.000 1.344) 1.483 11.175 ( -3.987 -0.000 9.477) 10.282 11.433 ( 3.632 0.000 -9.928) 10.571 11.589 ( -0.748 -0.000 -1.905) 2.047 12.347 ( -0.192 -0.000 0.512) 0.547 12.820 ( -1.298 -0.000 1.452) 1.947 13.030 ( -0.322 -0.000 1.488) 1.523 13.337 ( -0.313 -0.000 -1.192) 1.232 ======================= Grid point 378 (200/201) ======================= q-point: (-0.12 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 9.629 -10.589 -5.018) 15.167 2.099 ( -1.803 -0.707 2.749) 3.363 2.114 ( -2.955 0.068 -3.450) 4.543 2.366 ( 1.493 1.564 -2.840) 3.570 2.479 ( 0.464 6.256 -8.727) 10.748 2.700 ( -2.872 1.051 -4.206) 5.200 2.909 ( -5.081 -7.617 5.485) 10.673 3.187 ( -0.714 0.834 10.705) 10.761 3.588 ( -4.709 -8.473 4.896) 10.860 3.769 ( -10.223 -0.478 4.091) 11.022 4.546 ( 4.061 -2.806 -6.959) 8.532 5.400 ( -2.980 0.795 4.618) 5.553 5.692 ( -0.334 -2.550 3.042) 3.983 5.860 ( 1.266 4.672 -4.216) 6.419 6.790 ( -1.221 3.302 -0.834) 3.617 6.944 ( -1.089 -5.240 0.938) 5.433 9.578 ( -0.666 1.821 1.283) 2.325 11.155 ( -4.085 2.313 9.629) 10.712 11.392 ( 3.757 3.801 -10.019) 11.356 11.587 ( -0.536 -1.559 -2.213) 2.760 12.403 ( 0.112 -6.508 0.540) 6.531 12.794 ( -1.153 2.160 1.426) 2.834 13.029 ( -0.445 0.627 1.479) 1.667 13.361 ( -0.412 -3.756 -0.969) 3.901 ======================= Grid point 386 (201/201) ======================= q-point: (-0.12 -0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 9.054 0.000 -8.324) 12.299 2.063 ( -4.334 -0.000 0.771) 4.402 2.106 ( 0.717 0.000 1.473) 1.638 2.366 ( -2.247 -0.000 -0.931) 2.432 2.476 ( 0.916 0.000 -12.093) 12.128 2.667 ( -3.333 -0.000 -5.330) 6.286 2.821 ( -4.083 -0.000 9.686) 10.511 3.262 ( 2.519 0.000 8.936) 9.284 3.479 ( -4.270 -0.000 5.217) 6.741 3.673 ( -8.696 -0.000 2.542) 9.060 4.530 ( 3.144 0.000 -6.867) 7.552 5.399 ( -1.971 -0.000 4.040) 4.495 5.685 ( 0.332 0.000 3.081) 3.099 5.892 ( 0.420 0.000 -2.732) 2.764 6.814 ( -1.230 -0.000 -1.333) 1.814 6.876 ( -1.022 -0.000 1.085) 1.490 9.592 ( -0.671 -0.000 1.244) 1.414 11.176 ( -4.215 -0.000 10.142) 10.983 11.422 ( 3.996 0.000 -10.520) 11.253 11.554 ( -0.683 -0.000 -1.987) 2.101 12.351 ( 0.070 0.000 0.543) 0.548 12.807 ( -1.046 -0.000 1.496) 1.826 13.039 ( -0.104 -0.000 1.427) 1.431 13.318 ( -0.363 -0.000 -1.089) 1.147 =================== 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 3/16896 10.0 400.829 337.939 450.069 0.000 -77.865 0.000 3/16896 20.0 67.353 55.687 71.221 -0.000 -12.239 0.000 3/16896 30.0 29.652 24.726 31.169 -0.000 -5.462 0.000 3/16896 40.0 18.127 15.197 19.163 -0.000 -3.233 0.000 3/16896 50.0 12.893 10.848 13.716 -0.000 -2.239 0.000 3/16896 60.0 9.976 8.418 10.676 -0.000 -1.709 0.000 3/16896 70.0 8.136 6.883 8.759 -0.000 -1.391 0.000 3/16896 80.0 6.877 5.833 7.447 -0.000 -1.180 0.000 3/16896 90.0 5.962 5.070 6.495 -0.000 -1.033 0.000 3/16896 100.0 5.267 4.491 5.773 -0.000 -0.923 0.000 3/16896 110.0 4.721 4.037 5.207 -0.000 -0.838 0.000 3/16896 120.0 4.281 3.671 4.750 -0.000 -0.771 0.000 3/16896 130.0 3.919 3.370 4.372 -0.000 -0.715 0.000 3/16896 140.0 3.614 3.116 4.054 -0.000 -0.668 0.000 3/16896 150.0 3.355 2.901 3.782 -0.000 -0.628 0.000 3/16896 160.0 3.131 2.714 3.547 -0.000 -0.593 0.000 3/16896 170.0 2.937 2.552 3.341 -0.000 -0.563 0.000 3/16896 180.0 2.765 2.408 3.158 -0.000 -0.535 0.000 3/16896 190.0 2.613 2.281 2.995 -0.000 -0.510 0.000 3/16896 200.0 2.477 2.167 2.849 -0.000 -0.488 0.000 3/16896 210.0 2.355 2.064 2.716 -0.000 -0.467 0.000 3/16896 220.0 2.244 1.970 2.596 -0.000 -0.449 0.000 3/16896 230.0 2.144 1.885 2.486 -0.000 -0.431 0.000 3/16896 240.0 2.052 1.807 2.386 -0.000 -0.415 0.000 3/16896 250.0 1.968 1.736 2.293 -0.000 -0.401 0.000 3/16896 260.0 1.891 1.670 2.207 -0.000 -0.387 0.000 3/16896 270.0 1.819 1.609 2.127 -0.000 -0.374 0.000 3/16896 280.0 1.753 1.552 2.053 -0.000 -0.362 0.000 3/16896 290.0 1.692 1.499 1.984 -0.000 -0.350 0.000 3/16896 300.0 1.634 1.450 1.920 -0.000 -0.340 0.000 3/16896 310.0 1.581 1.404 1.860 -0.000 -0.330 0.000 3/16896 320.0 1.531 1.360 1.803 -0.000 -0.320 0.000 3/16896 330.0 1.484 1.320 1.749 -0.000 -0.311 0.000 3/16896 340.0 1.440 1.281 1.699 -0.000 -0.303 0.000 3/16896 350.0 1.398 1.245 1.652 -0.000 -0.295 0.000 3/16896 360.0 1.359 1.211 1.607 -0.000 -0.287 0.000 3/16896 370.0 1.322 1.179 1.564 -0.000 -0.280 0.000 3/16896 380.0 1.287 1.148 1.524 -0.000 -0.273 0.000 3/16896 390.0 1.253 1.119 1.485 -0.000 -0.266 0.000 3/16896 400.0 1.222 1.091 1.449 -0.000 -0.260 0.000 3/16896 410.0 1.192 1.065 1.414 -0.000 -0.254 0.000 3/16896 420.0 1.163 1.040 1.381 -0.000 -0.248 0.000 3/16896 430.0 1.136 1.016 1.350 -0.000 -0.243 0.000 3/16896 440.0 1.110 0.993 1.319 -0.000 -0.237 0.000 3/16896 450.0 1.085 0.971 1.291 -0.000 -0.232 0.000 3/16896 460.0 1.061 0.950 1.263 -0.000 -0.228 0.000 3/16896 470.0 1.039 0.930 1.236 -0.000 -0.223 0.000 3/16896 480.0 1.017 0.911 1.211 -0.000 -0.219 0.000 3/16896 490.0 0.996 0.893 1.187 -0.000 -0.214 0.000 3/16896 500.0 0.976 0.875 1.163 -0.000 -0.210 0.000 3/16896 510.0 0.957 0.858 1.141 -0.000 -0.206 0.000 3/16896 520.0 0.938 0.841 1.119 -0.000 -0.202 0.000 3/16896 530.0 0.921 0.826 1.098 -0.000 -0.199 0.000 3/16896 540.0 0.904 0.811 1.078 -0.000 -0.195 0.000 3/16896 550.0 0.887 0.796 1.059 -0.000 -0.192 0.000 3/16896 560.0 0.871 0.782 1.040 -0.000 -0.188 0.000 3/16896 570.0 0.856 0.768 1.022 -0.000 -0.185 0.000 3/16896 580.0 0.841 0.755 1.005 -0.000 -0.182 0.000 3/16896 590.0 0.827 0.742 0.988 -0.000 -0.179 0.000 3/16896 600.0 0.813 0.730 0.971 -0.000 -0.176 0.000 3/16896 610.0 0.800 0.718 0.956 -0.000 -0.173 0.000 3/16896 620.0 0.787 0.707 0.940 -0.000 -0.171 0.000 3/16896 630.0 0.774 0.695 0.926 -0.000 -0.168 0.000 3/16896 640.0 0.762 0.685 0.911 -0.000 -0.165 0.000 3/16896 650.0 0.750 0.674 0.897 -0.000 -0.163 0.000 3/16896 660.0 0.739 0.664 0.884 -0.000 -0.161 0.000 3/16896 670.0 0.728 0.654 0.871 -0.000 -0.158 0.000 3/16896 680.0 0.717 0.645 0.858 -0.000 -0.156 0.000 3/16896 690.0 0.707 0.635 0.846 -0.000 -0.154 0.000 3/16896 700.0 0.697 0.626 0.834 -0.000 -0.152 0.000 3/16896 710.0 0.687 0.618 0.822 -0.000 -0.149 0.000 3/16896 720.0 0.677 0.609 0.811 -0.000 -0.147 0.000 3/16896 730.0 0.668 0.601 0.800 -0.000 -0.145 0.000 3/16896 740.0 0.659 0.593 0.789 -0.000 -0.144 0.000 3/16896 750.0 0.650 0.585 0.779 -0.000 -0.142 0.000 3/16896 760.0 0.641 0.577 0.768 -0.000 -0.140 0.000 3/16896 770.0 0.633 0.570 0.758 -0.000 -0.138 0.000 3/16896 780.0 0.625 0.562 0.749 -0.000 -0.136 0.000 3/16896 790.0 0.617 0.555 0.739 -0.000 -0.135 0.000 3/16896 800.0 0.609 0.548 0.730 -0.000 -0.133 0.000 3/16896 810.0 0.602 0.542 0.721 -0.000 -0.131 0.000 3/16896 820.0 0.594 0.535 0.713 -0.000 -0.130 0.000 3/16896 830.0 0.587 0.529 0.704 -0.000 -0.128 0.000 3/16896 840.0 0.580 0.522 0.696 -0.000 -0.127 0.000 3/16896 850.0 0.573 0.516 0.688 -0.000 -0.125 0.000 3/16896 860.0 0.567 0.510 0.680 -0.000 -0.124 0.000 3/16896 870.0 0.560 0.504 0.672 -0.000 -0.122 0.000 3/16896 880.0 0.554 0.499 0.664 -0.000 -0.121 0.000 3/16896 890.0 0.548 0.493 0.657 -0.000 -0.120 0.000 3/16896 900.0 0.542 0.488 0.650 -0.000 -0.118 0.000 3/16896 910.0 0.536 0.482 0.642 -0.000 -0.117 0.000 3/16896 920.0 0.530 0.477 0.635 -0.000 -0.116 0.000 3/16896 930.0 0.524 0.472 0.629 -0.000 -0.115 0.000 3/16896 940.0 0.519 0.467 0.622 -0.000 -0.113 0.000 3/16896 950.0 0.513 0.462 0.615 -0.000 -0.112 0.000 3/16896 960.0 0.508 0.457 0.609 -0.000 -0.111 0.000 3/16896 970.0 0.502 0.453 0.603 -0.000 -0.110 0.000 3/16896 980.0 0.497 0.448 0.597 -0.000 -0.109 0.000 3/16896 990.0 0.492 0.443 0.591 -0.000 -0.108 0.000 3/16896 1000.0 0.487 0.439 0.585 -0.000 -0.107 0.000 3/16896 Thermal conductivity related properties were written into "kappa-m8811.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:34:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|