----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:08:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.672239193137245 1.542818017496854 4.855148009999994 b -2.672239193137240 1.542818017496854 4.855148009999994 c 0.000000000000002 -3.085636034993712 4.855148009999994 Atomic positions (fractional): *1 F 0.75000000000000 0.11926788070447 0.38073211929553 18.998 2 F 0.11926788070447 0.38073211929553 0.75000000000000 18.998 3 F 0.61926788070447 0.25000000000000 0.88073211929553 18.998 4 F 0.88073211929553 0.61926788070447 0.25000000000000 18.998 5 F 0.25000000000000 0.88073211929553 0.61926788070447 18.998 6 F 0.38073211929553 0.75000000000000 0.11926788070447 18.998 *7 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 8 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.344478386274485 0.000000000000000 0.000000000000000 b -2.672239193137242 4.628454052490565 0.000000000000000 c 0.000000000000000 0.000000000000000 14.565444029999998 Atomic positions (fractional): *1 F 0.66666666666667 0.70260121403780 0.08333333333333 18.998 > 1 2 F 0.03593454737114 0.33333333333333 0.08333333333333 18.998 > 2 3 F 0.36926788070447 0.36926788070447 0.25000000000000 18.998 > 3 4 F 0.63073211929553 0.00000000000000 0.25000000000000 18.998 > 4 5 F 0.00000000000000 0.63073211929553 0.25000000000000 18.998 > 5 6 F 0.29739878596220 0.96406545262886 0.08333333333333 18.998 > 6 7 F 0.33333333333333 0.03593454737114 0.41666666666667 18.998 > 1 8 F 0.70260121403780 0.66666666666667 0.41666666666667 18.998 > 2 9 F 0.03593454737114 0.70260121403780 0.58333333333333 18.998 > 3 10 F 0.29739878596220 0.33333333333333 0.58333333333333 18.998 > 4 11 F 0.66666666666667 0.96406545262886 0.58333333333333 18.998 > 5 12 F 0.96406545262886 0.29739878596220 0.41666666666667 18.998 > 6 13 F 0.00000000000000 0.36926788070447 0.75000000000000 18.998 > 1 14 F 0.36926788070447 0.00000000000000 0.75000000000000 18.998 > 2 15 F 0.70260121403780 0.03593454737114 0.91666666666667 18.998 > 3 16 F 0.96406545262886 0.66666666666667 0.91666666666667 18.998 > 4 17 F 0.33333333333333 0.29739878596220 0.91666666666667 18.998 > 5 18 F 0.63073211929553 0.63073211929553 0.75000000000000 18.998 > 6 *19 In 0.33333333333333 0.66666666666667 0.16666666666667 114.818 > 7 20 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 8 21 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 7 22 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 8 23 In 0.66666666666667 0.33333333333333 0.83333333333333 114.818 > 7 24 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.688956772548970 0.000000000000000 0.000000000000000 b -5.344478386274484 9.256908104981131 0.000000000000000 c 0.000000000000000 0.000000000000000 14.565444029999998 Atomic positions (fractional): *1 F 0.33333333333333 0.35130060701890 0.08333333333333 18.998 > 1 2 F 0.83333333333333 0.35130060701890 0.08333333333333 18.998 > 1 3 F 0.33333333333333 0.85130060701890 0.08333333333333 18.998 > 1 4 F 0.83333333333333 0.85130060701890 0.08333333333333 18.998 > 1 5 F 0.01796727368557 0.16666666666667 0.08333333333333 18.998 > 2 6 F 0.51796727368557 0.16666666666667 0.08333333333333 18.998 > 2 7 F 0.01796727368557 0.66666666666667 0.08333333333333 18.998 > 2 8 F 0.51796727368557 0.66666666666667 0.08333333333333 18.998 > 2 9 F 0.18463394035223 0.18463394035223 0.25000000000000 18.998 > 3 10 F 0.68463394035223 0.18463394035223 0.25000000000000 18.998 > 3 11 F 0.18463394035223 0.68463394035223 0.25000000000000 18.998 > 3 12 F 0.68463394035223 0.68463394035223 0.25000000000000 18.998 > 3 13 F 0.31536605964777 0.00000000000000 0.25000000000000 18.998 > 4 14 F 0.81536605964777 0.00000000000000 0.25000000000000 18.998 > 4 15 F 0.31536605964777 0.50000000000000 0.25000000000000 18.998 > 4 16 F 0.81536605964777 0.50000000000000 0.25000000000000 18.998 > 4 17 F 0.00000000000000 0.31536605964777 0.25000000000000 18.998 > 5 18 F 0.50000000000000 0.31536605964777 0.25000000000000 18.998 > 5 19 F 0.00000000000000 0.81536605964777 0.25000000000000 18.998 > 5 20 F 0.50000000000000 0.81536605964777 0.25000000000000 18.998 > 5 21 F 0.14869939298110 0.48203272631443 0.08333333333333 18.998 > 6 22 F 0.64869939298110 0.48203272631443 0.08333333333333 18.998 > 6 23 F 0.14869939298110 0.98203272631443 0.08333333333333 18.998 > 6 24 F 0.64869939298110 0.98203272631443 0.08333333333333 18.998 > 6 25 F 0.16666666666667 0.01796727368557 0.41666666666667 18.998 > 1 26 F 0.66666666666667 0.01796727368557 0.41666666666667 18.998 > 1 27 F 0.16666666666667 0.51796727368557 0.41666666666667 18.998 > 1 28 F 0.66666666666667 0.51796727368557 0.41666666666667 18.998 > 1 29 F 0.35130060701890 0.33333333333333 0.41666666666667 18.998 > 2 30 F 0.85130060701890 0.33333333333333 0.41666666666667 18.998 > 2 31 F 0.35130060701890 0.83333333333333 0.41666666666667 18.998 > 2 32 F 0.85130060701890 0.83333333333333 0.41666666666667 18.998 > 2 33 F 0.01796727368557 0.35130060701890 0.58333333333333 18.998 > 3 34 F 0.51796727368557 0.35130060701890 0.58333333333333 18.998 > 3 35 F 0.01796727368557 0.85130060701890 0.58333333333333 18.998 > 3 36 F 0.51796727368557 0.85130060701890 0.58333333333333 18.998 > 3 37 F 0.14869939298110 0.16666666666667 0.58333333333333 18.998 > 4 38 F 0.64869939298110 0.16666666666667 0.58333333333333 18.998 > 4 39 F 0.14869939298110 0.66666666666667 0.58333333333333 18.998 > 4 40 F 0.64869939298110 0.66666666666667 0.58333333333333 18.998 > 4 41 F 0.33333333333333 0.48203272631443 0.58333333333333 18.998 > 5 42 F 0.83333333333333 0.48203272631443 0.58333333333333 18.998 > 5 43 F 0.33333333333333 0.98203272631443 0.58333333333333 18.998 > 5 44 F 0.83333333333333 0.98203272631443 0.58333333333333 18.998 > 5 45 F 0.48203272631443 0.14869939298110 0.41666666666667 18.998 > 6 46 F 0.98203272631443 0.14869939298110 0.41666666666667 18.998 > 6 47 F 0.48203272631443 0.64869939298110 0.41666666666667 18.998 > 6 48 F 0.98203272631443 0.64869939298110 0.41666666666667 18.998 > 6 49 F 0.00000000000000 0.18463394035223 0.75000000000000 18.998 > 1 50 F 0.50000000000000 0.18463394035223 0.75000000000000 18.998 > 1 51 F 0.00000000000000 0.68463394035223 0.75000000000000 18.998 > 1 52 F 0.50000000000000 0.68463394035223 0.75000000000000 18.998 > 1 53 F 0.18463394035223 0.00000000000000 0.75000000000000 18.998 > 2 54 F 0.68463394035223 0.00000000000000 0.75000000000000 18.998 > 2 55 F 0.18463394035223 0.50000000000000 0.75000000000000 18.998 > 2 56 F 0.68463394035223 0.50000000000000 0.75000000000000 18.998 > 2 57 F 0.35130060701890 0.01796727368557 0.91666666666667 18.998 > 3 58 F 0.85130060701890 0.01796727368557 0.91666666666667 18.998 > 3 59 F 0.35130060701890 0.51796727368557 0.91666666666667 18.998 > 3 60 F 0.85130060701890 0.51796727368557 0.91666666666667 18.998 > 3 61 F 0.48203272631443 0.33333333333333 0.91666666666667 18.998 > 4 62 F 0.98203272631443 0.33333333333333 0.91666666666667 18.998 > 4 63 F 0.48203272631443 0.83333333333333 0.91666666666667 18.998 > 4 64 F 0.98203272631443 0.83333333333333 0.91666666666667 18.998 > 4 65 F 0.16666666666667 0.14869939298110 0.91666666666667 18.998 > 5 66 F 0.66666666666667 0.14869939298110 0.91666666666667 18.998 > 5 67 F 0.16666666666667 0.64869939298110 0.91666666666667 18.998 > 5 68 F 0.66666666666667 0.64869939298110 0.91666666666667 18.998 > 5 69 F 0.31536605964777 0.31536605964777 0.75000000000000 18.998 > 6 70 F 0.81536605964777 0.31536605964777 0.75000000000000 18.998 > 6 71 F 0.31536605964777 0.81536605964777 0.75000000000000 18.998 > 6 72 F 0.81536605964777 0.81536605964777 0.75000000000000 18.998 > 6 *73 In 0.16666666666667 0.33333333333333 0.16666666666667 114.818 > 7 74 In 0.66666666666667 0.33333333333333 0.16666666666667 114.818 > 7 75 In 0.16666666666667 0.83333333333333 0.16666666666667 114.818 > 7 76 In 0.66666666666667 0.83333333333333 0.16666666666667 114.818 > 7 77 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 8 78 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 8 79 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 8 80 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 8 81 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 7 82 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 7 83 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 7 84 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 7 85 In 0.33333333333333 0.16666666666667 0.33333333333333 114.818 > 8 86 In 0.83333333333333 0.16666666666667 0.33333333333333 114.818 > 8 87 In 0.33333333333333 0.66666666666667 0.33333333333333 114.818 > 8 88 In 0.83333333333333 0.66666666666667 0.33333333333333 114.818 > 8 89 In 0.33333333333333 0.16666666666667 0.83333333333333 114.818 > 7 90 In 0.83333333333333 0.16666666666667 0.83333333333333 114.818 > 7 91 In 0.33333333333333 0.66666666666667 0.83333333333333 114.818 > 7 92 In 0.83333333333333 0.66666666666667 0.83333333333333 114.818 > 7 93 In 0.16666666666667 0.33333333333333 0.66666666666667 114.818 > 8 94 In 0.66666666666667 0.33333333333333 0.66666666666667 114.818 > 8 95 In 0.16666666666667 0.83333333333333 0.66666666666667 114.818 > 8 96 In 0.66666666666667 0.83333333333333 0.66666666666667 114.818 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3249311 0.0000000 0.0000000 0.0000000 2.3249311 0.0000000 0.0000000 0.0000000 2.3757159 -------------------------- Born effective charges -------------------------- 1 F -1.2087288 -0.2684970 0.4643158 -0.2684970 -0.8986952 0.2680729 0.4538742 0.2620444 -1.1064338 2 F -0.7436783 -0.0000000 -0.0000000 -0.0000000 -1.3637457 -0.5361457 -0.0000000 -0.5240888 -1.1064338 3 F -1.2087288 0.2684970 -0.4643158 0.2684970 -0.8986952 0.2680729 -0.4538742 0.2620444 -1.1064338 4 F -0.7436783 -0.0000000 -0.0000000 -0.0000000 -1.3637457 -0.5361457 -0.0000000 -0.5240888 -1.1064338 5 F -1.2087288 -0.2684970 0.4643158 -0.2684970 -0.8986952 0.2680729 0.4538742 0.2620444 -1.1064338 6 F -1.2087288 0.2684970 -0.4643158 0.2684970 -0.8986952 0.2680729 -0.4538742 0.2620444 -1.1064338 7 In 3.1611360 -0.3190764 -0.0000000 0.3190764 3.1611360 0.0000000 -0.0000000 -0.0000000 3.3193013 8 In 3.1611360 0.3190764 -0.0000000 -0.3190764 3.1611360 0.0000000 -0.0000000 -0.0000000 3.3193013 ---------------------------------------------------------------------------- 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: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 174 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 80 / 80 - Time: 0.216 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.225 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 174 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), 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 22:08:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:08:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.672239193137245 1.542818017496854 4.855148009999994 b -2.672239193137240 1.542818017496854 4.855148009999994 c 0.000000000000002 -3.085636034993712 4.855148009999994 Atomic positions (fractional): 1 F 0.75000000000000 0.11926788070447 0.38073211929553 18.998 2 F 0.11926788070447 0.38073211929553 0.75000000000000 18.998 3 F 0.61926788070447 0.25000000000000 0.88073211929553 18.998 4 F 0.88073211929553 0.61926788070447 0.25000000000000 18.998 5 F 0.25000000000000 0.88073211929553 0.61926788070447 18.998 6 F 0.38073211929553 0.75000000000000 0.11926788070447 18.998 7 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 8 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.688956772548970 0.000000000000000 0.000000000000000 b -5.344478386274484 9.256908104981131 0.000000000000000 c 0.000000000000000 0.000000000000000 14.565444029999998 Atomic positions (fractional): 1 F 0.33333333333333 0.35130060701890 0.08333333333333 18.998 > 1 2 F 0.83333333333333 0.35130060701890 0.08333333333333 18.998 > 1 3 F 0.33333333333333 0.85130060701890 0.08333333333333 18.998 > 1 4 F 0.83333333333333 0.85130060701890 0.08333333333333 18.998 > 1 5 F 0.01796727368557 0.16666666666667 0.08333333333333 18.998 > 5 6 F 0.51796727368557 0.16666666666667 0.08333333333333 18.998 > 5 7 F 0.01796727368557 0.66666666666667 0.08333333333333 18.998 > 5 8 F 0.51796727368557 0.66666666666667 0.08333333333333 18.998 > 5 9 F 0.18463394035223 0.18463394035223 0.25000000000000 18.998 > 9 10 F 0.68463394035223 0.18463394035223 0.25000000000000 18.998 > 9 11 F 0.18463394035223 0.68463394035223 0.25000000000000 18.998 > 9 12 F 0.68463394035223 0.68463394035223 0.25000000000000 18.998 > 9 13 F 0.31536605964777 0.00000000000000 0.25000000000000 18.998 > 13 14 F 0.81536605964777 0.00000000000000 0.25000000000000 18.998 > 13 15 F 0.31536605964777 0.50000000000000 0.25000000000000 18.998 > 13 16 F 0.81536605964777 0.50000000000000 0.25000000000000 18.998 > 13 17 F 0.00000000000000 0.31536605964777 0.25000000000000 18.998 > 17 18 F 0.50000000000000 0.31536605964777 0.25000000000000 18.998 > 17 19 F 0.00000000000000 0.81536605964777 0.25000000000000 18.998 > 17 20 F 0.50000000000000 0.81536605964777 0.25000000000000 18.998 > 17 21 F 0.14869939298110 0.48203272631443 0.08333333333333 18.998 > 21 22 F 0.64869939298110 0.48203272631443 0.08333333333333 18.998 > 21 23 F 0.14869939298110 0.98203272631443 0.08333333333333 18.998 > 21 24 F 0.64869939298110 0.98203272631443 0.08333333333333 18.998 > 21 25 F 0.16666666666667 0.01796727368557 0.41666666666667 18.998 > 1 26 F 0.66666666666667 0.01796727368557 0.41666666666667 18.998 > 1 27 F 0.16666666666667 0.51796727368557 0.41666666666667 18.998 > 1 28 F 0.66666666666667 0.51796727368557 0.41666666666667 18.998 > 1 29 F 0.35130060701890 0.33333333333333 0.41666666666667 18.998 > 5 30 F 0.85130060701890 0.33333333333333 0.41666666666667 18.998 > 5 31 F 0.35130060701890 0.83333333333333 0.41666666666667 18.998 > 5 32 F 0.85130060701890 0.83333333333333 0.41666666666667 18.998 > 5 33 F 0.01796727368557 0.35130060701890 0.58333333333333 18.998 > 9 34 F 0.51796727368557 0.35130060701890 0.58333333333333 18.998 > 9 35 F 0.01796727368557 0.85130060701890 0.58333333333333 18.998 > 9 36 F 0.51796727368557 0.85130060701890 0.58333333333333 18.998 > 9 37 F 0.14869939298110 0.16666666666667 0.58333333333333 18.998 > 13 38 F 0.64869939298110 0.16666666666667 0.58333333333333 18.998 > 13 39 F 0.14869939298110 0.66666666666667 0.58333333333333 18.998 > 13 40 F 0.64869939298110 0.66666666666667 0.58333333333333 18.998 > 13 41 F 0.33333333333333 0.48203272631443 0.58333333333333 18.998 > 17 42 F 0.83333333333333 0.48203272631443 0.58333333333333 18.998 > 17 43 F 0.33333333333333 0.98203272631443 0.58333333333333 18.998 > 17 44 F 0.83333333333333 0.98203272631443 0.58333333333333 18.998 > 17 45 F 0.48203272631443 0.14869939298110 0.41666666666667 18.998 > 21 46 F 0.98203272631443 0.14869939298110 0.41666666666667 18.998 > 21 47 F 0.48203272631443 0.64869939298110 0.41666666666667 18.998 > 21 48 F 0.98203272631443 0.64869939298110 0.41666666666667 18.998 > 21 49 F 0.00000000000000 0.18463394035223 0.75000000000000 18.998 > 1 50 F 0.50000000000000 0.18463394035223 0.75000000000000 18.998 > 1 51 F 0.00000000000000 0.68463394035223 0.75000000000000 18.998 > 1 52 F 0.50000000000000 0.68463394035223 0.75000000000000 18.998 > 1 53 F 0.18463394035223 0.00000000000000 0.75000000000000 18.998 > 5 54 F 0.68463394035223 0.00000000000000 0.75000000000000 18.998 > 5 55 F 0.18463394035223 0.50000000000000 0.75000000000000 18.998 > 5 56 F 0.68463394035223 0.50000000000000 0.75000000000000 18.998 > 5 57 F 0.35130060701890 0.01796727368557 0.91666666666667 18.998 > 9 58 F 0.85130060701890 0.01796727368557 0.91666666666667 18.998 > 9 59 F 0.35130060701890 0.51796727368557 0.91666666666667 18.998 > 9 60 F 0.85130060701890 0.51796727368557 0.91666666666667 18.998 > 9 61 F 0.48203272631443 0.33333333333333 0.91666666666667 18.998 > 13 62 F 0.98203272631443 0.33333333333333 0.91666666666667 18.998 > 13 63 F 0.48203272631443 0.83333333333333 0.91666666666667 18.998 > 13 64 F 0.98203272631443 0.83333333333333 0.91666666666667 18.998 > 13 65 F 0.16666666666667 0.14869939298110 0.91666666666667 18.998 > 17 66 F 0.66666666666667 0.14869939298110 0.91666666666667 18.998 > 17 67 F 0.16666666666667 0.64869939298110 0.91666666666667 18.998 > 17 68 F 0.66666666666667 0.64869939298110 0.91666666666667 18.998 > 17 69 F 0.31536605964777 0.31536605964777 0.75000000000000 18.998 > 21 70 F 0.81536605964777 0.31536605964777 0.75000000000000 18.998 > 21 71 F 0.31536605964777 0.81536605964777 0.75000000000000 18.998 > 21 72 F 0.81536605964777 0.81536605964777 0.75000000000000 18.998 > 21 73 In 0.16666666666667 0.33333333333333 0.16666666666667 114.818 > 73 74 In 0.66666666666667 0.33333333333333 0.16666666666667 114.818 > 73 75 In 0.16666666666667 0.83333333333333 0.16666666666667 114.818 > 73 76 In 0.66666666666667 0.83333333333333 0.16666666666667 114.818 > 73 77 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 77 78 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 77 79 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 77 80 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 77 81 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 73 82 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 73 83 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 73 84 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 73 85 In 0.33333333333333 0.16666666666667 0.33333333333333 114.818 > 77 86 In 0.83333333333333 0.16666666666667 0.33333333333333 114.818 > 77 87 In 0.33333333333333 0.66666666666667 0.33333333333333 114.818 > 77 88 In 0.83333333333333 0.66666666666667 0.33333333333333 114.818 > 77 89 In 0.33333333333333 0.16666666666667 0.83333333333333 114.818 > 73 90 In 0.83333333333333 0.16666666666667 0.83333333333333 114.818 > 73 91 In 0.33333333333333 0.66666666666667 0.83333333333333 114.818 > 73 92 In 0.83333333333333 0.66666666666667 0.83333333333333 114.818 > 73 93 In 0.16666666666667 0.33333333333333 0.66666666666667 114.818 > 77 94 In 0.66666666666667 0.33333333333333 0.66666666666667 114.818 > 77 95 In 0.16666666666667 0.83333333333333 0.66666666666667 114.818 > 77 96 In 0.66666666666667 0.83333333333333 0.66666666666667 114.818 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3249311 0.0000000 0.0000000 0.0000000 2.3249311 0.0000000 0.0000000 0.0000000 2.3757159 -------------------------- Born effective charges -------------------------- 1 F -1.2087288 -0.2684970 0.4643158 -0.2684970 -0.8986952 0.2680729 0.4538742 0.2620444 -1.1064338 2 F -0.7436783 -0.0000000 -0.0000000 -0.0000000 -1.3637457 -0.5361457 -0.0000000 -0.5240888 -1.1064338 3 F -1.2087288 0.2684970 -0.4643158 0.2684970 -0.8986952 0.2680729 -0.4538742 0.2620444 -1.1064338 4 F -0.7436783 -0.0000000 -0.0000000 -0.0000000 -1.3637457 -0.5361457 -0.0000000 -0.5240888 -1.1064338 5 F -1.2087288 -0.2684970 0.4643158 -0.2684970 -0.8986952 0.2680729 0.4538742 0.2620444 -1.1064338 6 F -1.2087288 0.2684970 -0.4643158 0.2684970 -0.8986952 0.2680729 -0.4538742 0.2620444 -1.1064338 7 In 3.1611360 -0.3190764 -0.0000000 0.3190764 3.1611360 0.0000000 -0.0000000 -0.0000000 3.3193013 8 In 3.1611360 0.3190764 -0.0000000 -0.3190764 3.1611360 0.0000000 -0.0000000 -0.0000000 3.3193013 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yxz) -0.00000002 (yxz) -0.00000002 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (yx) -0.00000007 (yx) 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 22:08:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:08:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.672239193137245 1.542818017496854 4.855148009999994 b -2.672239193137240 1.542818017496854 4.855148009999994 c 0.000000000000002 -3.085636034993712 4.855148009999994 Atomic positions (fractional): 1 F 0.75000000000000 0.11926788070447 0.38073211929553 18.998 2 F 0.11926788070447 0.38073211929553 0.75000000000000 18.998 3 F 0.61926788070447 0.25000000000000 0.88073211929553 18.998 4 F 0.88073211929553 0.61926788070447 0.25000000000000 18.998 5 F 0.25000000000000 0.88073211929553 0.61926788070447 18.998 6 F 0.38073211929553 0.75000000000000 0.11926788070447 18.998 7 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 8 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.688956772548970 0.000000000000000 0.000000000000000 b -5.344478386274484 9.256908104981131 0.000000000000000 c 0.000000000000000 0.000000000000000 14.565444029999998 Atomic positions (fractional): 1 F 0.33333333333333 0.35130060701890 0.08333333333333 18.998 > 1 2 F 0.83333333333333 0.35130060701890 0.08333333333333 18.998 > 1 3 F 0.33333333333333 0.85130060701890 0.08333333333333 18.998 > 1 4 F 0.83333333333333 0.85130060701890 0.08333333333333 18.998 > 1 5 F 0.01796727368557 0.16666666666667 0.08333333333333 18.998 > 5 6 F 0.51796727368557 0.16666666666667 0.08333333333333 18.998 > 5 7 F 0.01796727368557 0.66666666666667 0.08333333333333 18.998 > 5 8 F 0.51796727368557 0.66666666666667 0.08333333333333 18.998 > 5 9 F 0.18463394035223 0.18463394035223 0.25000000000000 18.998 > 9 10 F 0.68463394035223 0.18463394035223 0.25000000000000 18.998 > 9 11 F 0.18463394035223 0.68463394035223 0.25000000000000 18.998 > 9 12 F 0.68463394035223 0.68463394035223 0.25000000000000 18.998 > 9 13 F 0.31536605964777 0.00000000000000 0.25000000000000 18.998 > 13 14 F 0.81536605964777 0.00000000000000 0.25000000000000 18.998 > 13 15 F 0.31536605964777 0.50000000000000 0.25000000000000 18.998 > 13 16 F 0.81536605964777 0.50000000000000 0.25000000000000 18.998 > 13 17 F 0.00000000000000 0.31536605964777 0.25000000000000 18.998 > 17 18 F 0.50000000000000 0.31536605964777 0.25000000000000 18.998 > 17 19 F 0.00000000000000 0.81536605964777 0.25000000000000 18.998 > 17 20 F 0.50000000000000 0.81536605964777 0.25000000000000 18.998 > 17 21 F 0.14869939298110 0.48203272631443 0.08333333333333 18.998 > 21 22 F 0.64869939298110 0.48203272631443 0.08333333333333 18.998 > 21 23 F 0.14869939298110 0.98203272631443 0.08333333333333 18.998 > 21 24 F 0.64869939298110 0.98203272631443 0.08333333333333 18.998 > 21 25 F 0.16666666666667 0.01796727368557 0.41666666666667 18.998 > 1 26 F 0.66666666666667 0.01796727368557 0.41666666666667 18.998 > 1 27 F 0.16666666666667 0.51796727368557 0.41666666666667 18.998 > 1 28 F 0.66666666666667 0.51796727368557 0.41666666666667 18.998 > 1 29 F 0.35130060701890 0.33333333333333 0.41666666666667 18.998 > 5 30 F 0.85130060701890 0.33333333333333 0.41666666666667 18.998 > 5 31 F 0.35130060701890 0.83333333333333 0.41666666666667 18.998 > 5 32 F 0.85130060701890 0.83333333333333 0.41666666666667 18.998 > 5 33 F 0.01796727368557 0.35130060701890 0.58333333333333 18.998 > 9 34 F 0.51796727368557 0.35130060701890 0.58333333333333 18.998 > 9 35 F 0.01796727368557 0.85130060701890 0.58333333333333 18.998 > 9 36 F 0.51796727368557 0.85130060701890 0.58333333333333 18.998 > 9 37 F 0.14869939298110 0.16666666666667 0.58333333333333 18.998 > 13 38 F 0.64869939298110 0.16666666666667 0.58333333333333 18.998 > 13 39 F 0.14869939298110 0.66666666666667 0.58333333333333 18.998 > 13 40 F 0.64869939298110 0.66666666666667 0.58333333333333 18.998 > 13 41 F 0.33333333333333 0.48203272631443 0.58333333333333 18.998 > 17 42 F 0.83333333333333 0.48203272631443 0.58333333333333 18.998 > 17 43 F 0.33333333333333 0.98203272631443 0.58333333333333 18.998 > 17 44 F 0.83333333333333 0.98203272631443 0.58333333333333 18.998 > 17 45 F 0.48203272631443 0.14869939298110 0.41666666666667 18.998 > 21 46 F 0.98203272631443 0.14869939298110 0.41666666666667 18.998 > 21 47 F 0.48203272631443 0.64869939298110 0.41666666666667 18.998 > 21 48 F 0.98203272631443 0.64869939298110 0.41666666666667 18.998 > 21 49 F 0.00000000000000 0.18463394035223 0.75000000000000 18.998 > 1 50 F 0.50000000000000 0.18463394035223 0.75000000000000 18.998 > 1 51 F 0.00000000000000 0.68463394035223 0.75000000000000 18.998 > 1 52 F 0.50000000000000 0.68463394035223 0.75000000000000 18.998 > 1 53 F 0.18463394035223 0.00000000000000 0.75000000000000 18.998 > 5 54 F 0.68463394035223 0.00000000000000 0.75000000000000 18.998 > 5 55 F 0.18463394035223 0.50000000000000 0.75000000000000 18.998 > 5 56 F 0.68463394035223 0.50000000000000 0.75000000000000 18.998 > 5 57 F 0.35130060701890 0.01796727368557 0.91666666666667 18.998 > 9 58 F 0.85130060701890 0.01796727368557 0.91666666666667 18.998 > 9 59 F 0.35130060701890 0.51796727368557 0.91666666666667 18.998 > 9 60 F 0.85130060701890 0.51796727368557 0.91666666666667 18.998 > 9 61 F 0.48203272631443 0.33333333333333 0.91666666666667 18.998 > 13 62 F 0.98203272631443 0.33333333333333 0.91666666666667 18.998 > 13 63 F 0.48203272631443 0.83333333333333 0.91666666666667 18.998 > 13 64 F 0.98203272631443 0.83333333333333 0.91666666666667 18.998 > 13 65 F 0.16666666666667 0.14869939298110 0.91666666666667 18.998 > 17 66 F 0.66666666666667 0.14869939298110 0.91666666666667 18.998 > 17 67 F 0.16666666666667 0.64869939298110 0.91666666666667 18.998 > 17 68 F 0.66666666666667 0.64869939298110 0.91666666666667 18.998 > 17 69 F 0.31536605964777 0.31536605964777 0.75000000000000 18.998 > 21 70 F 0.81536605964777 0.31536605964777 0.75000000000000 18.998 > 21 71 F 0.31536605964777 0.81536605964777 0.75000000000000 18.998 > 21 72 F 0.81536605964777 0.81536605964777 0.75000000000000 18.998 > 21 73 In 0.16666666666667 0.33333333333333 0.16666666666667 114.818 > 73 74 In 0.66666666666667 0.33333333333333 0.16666666666667 114.818 > 73 75 In 0.16666666666667 0.83333333333333 0.16666666666667 114.818 > 73 76 In 0.66666666666667 0.83333333333333 0.16666666666667 114.818 > 73 77 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 77 78 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 77 79 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 77 80 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 77 81 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 73 82 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 73 83 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 73 84 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 73 85 In 0.33333333333333 0.16666666666667 0.33333333333333 114.818 > 77 86 In 0.83333333333333 0.16666666666667 0.33333333333333 114.818 > 77 87 In 0.33333333333333 0.66666666666667 0.33333333333333 114.818 > 77 88 In 0.83333333333333 0.66666666666667 0.33333333333333 114.818 > 77 89 In 0.33333333333333 0.16666666666667 0.83333333333333 114.818 > 73 90 In 0.83333333333333 0.16666666666667 0.83333333333333 114.818 > 73 91 In 0.33333333333333 0.66666666666667 0.83333333333333 114.818 > 73 92 In 0.83333333333333 0.66666666666667 0.83333333333333 114.818 > 73 93 In 0.16666666666667 0.33333333333333 0.66666666666667 114.818 > 77 94 In 0.66666666666667 0.33333333333333 0.66666666666667 114.818 > 77 95 In 0.16666666666667 0.83333333333333 0.66666666666667 114.818 > 77 96 In 0.66666666666667 0.83333333333333 0.66666666666667 114.818 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3249311 0.0000000 0.0000000 0.0000000 2.3249311 0.0000000 0.0000000 0.0000000 2.3757159 -------------------------- Born effective charges -------------------------- 1 F -1.2087288 -0.2684970 0.4643158 -0.2684970 -0.8986952 0.2680729 0.4538742 0.2620444 -1.1064338 2 F -0.7436783 -0.0000000 -0.0000000 -0.0000000 -1.3637457 -0.5361457 -0.0000000 -0.5240888 -1.1064338 3 F -1.2087288 0.2684970 -0.4643158 0.2684970 -0.8986952 0.2680729 -0.4538742 0.2620444 -1.1064338 4 F -0.7436783 -0.0000000 -0.0000000 -0.0000000 -1.3637457 -0.5361457 -0.0000000 -0.5240888 -1.1064338 5 F -1.2087288 -0.2684970 0.4643158 -0.2684970 -0.8986952 0.2680729 0.4538742 0.2620444 -1.1064338 6 F -1.2087288 0.2684970 -0.4643158 0.2684970 -0.8986952 0.2680729 -0.4538742 0.2620444 -1.1064338 7 In 3.1611360 -0.3190764 -0.0000000 0.3190764 3.1611360 0.0000000 -0.0000000 -0.0000000 3.3193013 8 In 3.1611360 0.3190764 -0.0000000 -0.3190764 3.1611360 0.0000000 -0.0000000 -0.0000000 3.3193013 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxz) -0.00000002 (yxz) -0.00000002 (yzx) 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 ... [ 11 11 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: 0.84, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= 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 1.25e-05 1.25e-05 Number of triplets: 146 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 3.292 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 8.724 ( 0.000 0.000 0.000) 0.000 8.724 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 15.304 ( 0.000 0.000 0.000) 0.000 15.304 ( 0.000 0.000 0.000) 0.000 17.445 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 27.057 15.621 -15.613) 34.927 0.524 ( 17.133 9.892 21.912) 29.522 0.605 ( 19.389 11.194 23.769) 32.653 3.181 ( -5.554 -3.207 -1.305) 6.545 3.244 ( -2.000 -1.155 -2.761) 3.599 3.516 ( 4.555 2.630 -1.615) 5.502 3.783 ( 7.141 4.123 0.331) 8.252 4.335 ( -5.815 -3.357 0.822) 6.764 4.417 ( 4.915 2.838 -7.499) 9.405 4.575 ( 3.252 1.877 0.453) 3.782 5.186 ( -14.968 -8.642 31.570) 35.991 6.359 ( -1.858 -1.073 -0.945) 2.345 6.520 ( 6.566 3.791 4.337) 8.734 7.716 ( -0.143 -0.082 -2.047) 2.054 7.760 ( 2.569 1.483 1.509) 3.329 8.702 ( -2.834 -1.636 3.453) 4.757 8.925 ( -6.654 -3.842 -0.882) 7.734 9.618 ( 5.042 2.911 -27.023) 27.643 12.148 ( 4.878 2.817 9.587) 11.119 12.163 ( 9.506 5.489 -2.841) 11.339 15.129 ( -5.565 -3.213 5.133) 8.225 15.255 ( -3.098 -1.789 -4.572) 5.805 17.393 ( -2.280 -1.316 6.827) 7.317 17.441 ( -0.410 -0.237 0.080) 0.481 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 26.038 15.033 -13.646) 33.018 1.048 ( 17.240 9.954 20.586) 28.637 1.160 ( 16.848 9.727 21.207) 28.779 3.076 ( -2.698 -1.558 -1.268) 3.364 3.211 ( -0.080 -0.046 0.841) 0.846 3.552 ( -0.198 -0.114 -3.580) 3.587 3.926 ( 1.367 0.789 10.126) 10.248 4.148 ( -10.188 -5.882 -1.021) 11.809 4.538 ( 12.237 7.065 -15.596) 21.045 4.700 ( 6.426 3.710 2.701) 7.897 5.028 ( -11.101 -6.409 16.636) 21.001 6.282 ( -4.188 -2.418 -2.190) 5.308 6.737 ( 8.545 4.933 7.525) 12.408 7.699 ( 0.755 0.436 -5.080) 5.154 7.854 ( 3.963 2.288 3.955) 6.049 8.643 ( -4.115 -2.376 3.020) 5.630 8.710 ( -11.772 -6.797 1.271) 13.652 9.536 ( 0.457 0.264 -18.978) 18.986 12.393 ( 9.110 5.260 17.284) 20.234 12.438 ( 16.420 9.480 -5.105) 19.636 14.989 ( -9.075 -5.239 3.653) 11.097 15.107 ( -6.097 -3.520 -9.117) 11.518 17.380 ( -1.540 -0.889 3.215) 3.674 17.428 ( -0.767 -0.443 0.014) 0.886 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 24.009 13.861 -9.708) 29.373 1.549 ( 16.004 9.240 17.584) 25.509 1.623 ( 13.560 7.829 16.199) 22.530 3.041 ( -0.140 -0.081 -0.741) 0.759 3.245 ( 1.247 0.720 4.154) 4.397 3.471 ( -4.488 -2.591 -3.833) 6.446 3.886 ( -11.303 -6.526 -2.250) 13.245 3.952 ( -3.820 -2.206 7.455) 8.663 4.721 ( 8.860 5.116 -13.094) 16.617 4.870 ( 6.481 3.742 2.328) 7.838 4.971 ( 1.401 0.809 10.907) 11.026 6.141 ( -6.659 -3.844 -3.223) 8.337 6.980 ( 7.399 4.272 11.501) 14.327 7.698 ( 3.518 2.031 -9.928) 10.726 7.969 ( 2.280 1.316 8.048) 8.467 8.405 ( -11.847 -6.840 -8.957) 16.351 8.591 ( -5.156 -2.977 13.189) 14.470 9.402 ( -2.315 -1.336 -17.363) 17.568 12.762 ( 12.218 7.054 22.148) 26.259 12.822 ( 20.222 11.675 -6.549) 24.251 14.766 ( -12.691 -7.327 3.988) 15.188 14.866 ( -8.900 -5.139 -13.560) 17.014 17.365 ( -1.201 -0.693 2.025) 2.454 17.407 ( -0.962 -0.556 -0.233) 1.135 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 9.387 5.420 15.213) 18.680 1.966 ( 11.885 6.862 11.587) 17.961 2.011 ( 22.015 12.710 -10.398) 27.465 3.021 ( -3.486 -2.013 0.668) 4.081 3.293 ( -0.004 -0.002 5.105) 5.105 3.332 ( -4.612 -2.663 -2.605) 5.929 3.648 ( -7.200 -4.157 -2.601) 8.711 3.856 ( -6.590 -3.805 0.831) 7.655 4.790 ( 2.366 1.366 4.119) 4.943 4.994 ( 3.406 1.966 -0.542) 3.970 5.201 ( 13.314 7.687 -2.680) 15.606 5.946 ( -8.693 -5.019 -2.778) 10.415 7.213 ( 5.746 3.318 16.125) 17.437 7.743 ( 7.669 4.428 -15.901) 18.201 8.018 ( -3.989 -2.303 8.839) 9.967 8.073 ( -12.172 -7.028 -6.151) 15.342 8.616 ( 0.755 0.436 12.772) 12.801 9.217 ( -4.555 -2.630 -16.492) 17.310 13.207 ( 13.930 8.043 24.116) 28.988 13.256 ( 21.454 12.387 -7.127) 25.778 14.467 ( -16.003 -9.240 4.939) 19.128 14.537 ( -11.366 -6.562 -17.717) 22.049 17.354 ( -0.736 -0.425 1.483) 1.709 17.383 ( -0.875 -0.505 -0.574) 1.162 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 3.355 1.937 8.989) 9.788 2.196 ( 4.187 2.417 1.508) 5.064 2.443 ( 20.334 11.740 -7.768) 24.731 2.817 ( -15.166 -8.756 4.245) 18.019 3.285 ( 1.415 0.817 -3.930) 4.256 3.301 ( -1.881 -1.086 4.780) 5.250 3.573 ( 1.428 0.825 0.774) 1.822 3.690 ( -6.612 -3.818 -2.819) 8.139 4.902 ( 3.473 2.005 7.969) 8.922 5.004 ( -1.047 -0.605 -5.049) 5.192 5.477 ( 12.421 7.171 -3.567) 14.779 5.721 ( -10.311 -5.953 0.181) 11.908 7.455 ( 6.429 3.712 18.134) 19.595 7.739 ( -9.125 -5.268 -16.468) 19.550 7.842 ( 10.580 6.109 -19.799) 23.265 7.958 ( -10.108 -5.836 19.840) 23.019 8.775 ( 5.278 3.047 13.609) 14.912 8.997 ( -5.900 -3.406 -15.251) 16.704 13.679 ( 14.145 8.166 23.591) 28.693 13.693 ( 20.729 11.968 -6.936) 24.920 14.106 ( -18.738 -10.818 6.056) 22.468 14.135 ( -13.196 -7.619 -21.200) 26.108 17.352 ( -0.126 -0.073 1.173) 1.182 17.362 ( -0.475 -0.274 -0.898) 1.053 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( -0.000 9.406 10.743) 14.279 0.331 ( -0.000 11.052 8.565) 13.982 0.995 ( -0.000 30.726 27.288) 41.094 3.216 ( -0.000 -5.180 2.716) 5.849 3.315 ( -0.000 1.976 0.539) 2.049 3.552 ( -0.000 7.591 1.631) 7.765 3.616 ( 0.000 7.534 -9.651) 12.244 4.309 ( 0.000 -8.152 -1.802) 8.349 4.372 ( 0.000 -1.307 -1.003) 1.647 4.559 ( 0.000 2.860 -1.319) 3.149 5.463 ( -0.000 -24.777 33.771) 41.885 6.351 ( 0.000 -2.122 -1.789) 2.775 6.554 ( -0.000 5.266 8.593) 10.078 7.733 ( 0.000 1.584 -1.358) 2.086 7.760 ( -0.000 3.116 2.771) 4.170 8.555 ( 0.000 -11.790 -10.748) 15.954 8.961 ( -0.000 -2.586 1.622) 3.053 9.509 ( 0.000 20.516 -26.788) 33.742 12.061 ( -0.000 -0.346 0.512) 0.618 12.305 ( -0.000 15.798 12.005) 19.842 15.203 ( -0.000 -3.432 4.665) 5.791 15.292 ( 0.000 -0.794 -0.566) 0.975 17.348 ( -0.000 -12.056 2.978) 12.419 17.440 ( 0.000 -0.745 -0.033) 0.746 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 20.628 16.474 -9.009) 27.893 0.745 ( 23.333 -1.211 20.067) 30.799 1.463 ( 1.935 26.837 24.335) 36.279 3.174 ( -6.678 0.519 3.480) 7.548 3.217 ( -2.861 0.262 0.182) 2.879 3.574 ( -1.945 3.867 -0.760) 4.395 3.870 ( 13.190 1.867 4.101) 13.939 4.170 ( -2.982 -11.244 -4.388) 12.433 4.350 ( 2.499 1.815 -9.360) 9.856 4.638 ( 5.432 3.399 1.058) 6.494 5.301 ( -12.897 -9.449 18.152) 24.190 6.291 ( -2.217 -3.475 -2.963) 5.076 6.705 ( 5.854 3.827 8.053) 10.666 7.689 ( -3.039 0.519 -0.957) 3.228 7.889 ( 3.237 8.772 3.764) 10.080 8.421 ( 7.904 -18.806 -12.308) 23.825 8.885 ( -7.938 -2.857 6.415) 10.599 9.521 ( -3.188 13.335 -16.966) 21.814 12.158 ( 11.154 -0.662 1.098) 11.228 12.599 ( 2.737 21.120 15.666) 26.438 15.118 ( -9.828 -6.290 7.982) 14.138 15.188 ( -7.184 2.487 -7.605) 10.753 17.290 ( 5.541 -10.822 -2.031) 12.326 17.425 ( -0.231 -1.457 -0.463) 1.546 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 24.047 12.229 -7.337) 27.958 1.266 ( 24.492 0.262 15.385) 28.924 1.871 ( 1.575 21.385 19.772) 29.167 3.091 ( -4.791 3.251 0.132) 5.792 3.243 ( 1.972 -0.941 5.316) 5.747 3.528 ( -5.426 0.585 -0.631) 5.494 3.897 ( -4.937 -13.693 -3.706) 15.020 4.058 ( -2.853 -2.411 7.885) 8.725 4.451 ( 14.990 5.695 -15.613) 22.381 4.796 ( 7.363 3.409 1.534) 8.258 5.140 ( -9.452 -1.043 10.664) 14.288 6.169 ( -4.531 -4.886 -4.216) 7.885 6.912 ( 10.148 0.309 7.250) 12.475 7.641 ( -1.824 0.429 -2.368) 3.020 8.044 ( 1.075 5.608 2.255) 6.139 8.289 ( 4.599 -11.249 -10.378) 15.981 8.746 ( -9.352 -6.035 13.345) 17.377 9.452 ( -7.688 11.386 -13.960) 19.586 12.425 ( 19.541 -0.959 1.727) 19.641 12.993 ( 4.616 24.293 17.580) 30.340 14.861 ( -13.856 -9.391 2.114) 16.871 15.024 ( -10.711 2.655 -6.199) 12.658 17.278 ( 6.041 -8.859 -3.164) 11.180 17.398 ( -0.192 -2.275 -1.239) 2.598 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 24.231 7.741 -2.914) 25.604 1.750 ( 20.498 3.618 9.275) 22.788 2.167 ( -0.221 14.557 13.358) 19.758 3.066 ( -2.535 1.648 0.367) 3.046 3.294 ( 1.221 -1.569 3.205) 3.771 3.411 ( -6.916 -2.029 2.200) 7.536 3.647 ( -4.019 -11.232 -5.593) 13.176 3.958 ( -8.404 -2.724 1.152) 8.909 4.695 ( 12.894 2.243 -0.926) 13.121 4.947 ( 5.564 3.084 -1.703) 6.586 5.121 ( 1.098 5.094 1.942) 5.561 5.996 ( -6.208 -5.707 -4.413) 9.517 7.142 ( 12.921 -3.098 7.533) 15.274 7.613 ( 0.040 1.998 -4.880) 5.274 7.936 ( -0.127 -16.268 -12.038) 20.238 8.297 ( -8.258 10.353 6.610) 14.801 8.681 ( -0.584 -3.659 16.285) 16.701 9.314 ( -11.278 10.357 -12.368) 19.683 12.806 ( 24.456 -0.985 1.861) 24.547 13.438 ( 5.516 25.279 18.279) 31.679 14.506 ( -14.538 -12.464 -3.510) 19.469 14.791 ( -15.564 2.206 -4.378) 16.318 17.279 ( 5.324 -6.819 -2.874) 9.116 17.361 ( 0.258 -3.078 -2.240) 3.816 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 16.533 0.338 8.277) 18.492 2.151 ( 18.594 10.889 -5.037) 22.128 2.288 ( -3.672 4.361 3.744) 6.820 2.957 ( -9.024 -8.355 2.210) 12.495 3.264 ( -0.698 0.244 -3.245) 3.328 3.368 ( -1.688 0.348 6.362) 6.591 3.526 ( 1.775 -3.764 -1.711) 4.500 3.763 ( -9.260 -3.478 -2.905) 10.309 4.896 ( 6.066 0.749 8.682) 10.618 4.982 ( -0.389 -0.633 -4.145) 4.211 5.302 ( 12.164 8.047 -6.113) 15.814 5.804 ( -7.088 -5.693 -2.434) 9.412 7.380 ( 14.553 -5.843 6.022) 16.798 7.610 ( -0.558 -0.621 -6.399) 6.453 7.696 ( 0.683 -7.340 -14.129) 15.936 8.203 ( -12.203 -3.514 14.142) 19.006 8.857 ( 3.684 9.644 14.523) 17.818 9.122 ( -13.833 8.816 -10.655) 19.560 13.243 ( 26.318 -0.774 1.496) 26.372 13.888 ( 5.168 23.245 17.333) 29.452 14.088 ( -14.489 -13.685 -7.272) 21.215 14.485 ( -19.941 1.657 -2.721) 20.194 17.290 ( 4.565 -4.863 -2.180) 7.017 17.321 ( 1.175 -3.767 -3.260) 5.119 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -6.682 -6.915 -8.173) 12.620 2.257 ( -0.161 1.188 3.394) 3.599 2.556 ( 18.593 7.124 -5.963) 20.785 2.679 ( -12.375 -9.923 7.069) 17.366 3.268 ( 0.945 2.500 -3.939) 4.760 3.356 ( -4.076 0.220 4.650) 6.187 3.581 ( -3.322 -2.989 -1.418) 4.688 3.613 ( 6.651 1.351 0.823) 6.837 4.882 ( -2.850 -3.597 -7.521) 8.811 5.029 ( 1.351 1.146 7.279) 7.492 5.565 ( 12.779 5.812 -3.665) 14.509 5.610 ( -8.203 -5.293 0.738) 9.790 7.359 ( -2.219 -8.883 -16.589) 18.949 7.665 ( 13.394 -5.860 10.764) 18.155 7.735 ( 6.225 8.141 -11.578) 15.462 8.044 ( -8.900 -9.176 15.384) 20.002 8.890 ( -14.786 6.388 -8.737) 18.323 9.118 ( 2.456 13.129 14.306) 19.572 13.613 ( -13.019 -15.303 -11.156) 22.981 13.694 ( 24.147 -1.174 1.088) 24.200 14.115 ( -23.407 1.097 -1.350) 23.472 14.322 ( 4.559 22.070 16.895) 28.166 17.289 ( 2.424 -4.286 -4.121) 6.421 17.312 ( 3.904 -3.092 -1.443) 5.185 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -8.502 -17.155 -14.606) 24.081 2.167 ( -11.460 3.517 -6.932) 13.847 2.326 ( -18.838 -10.040 9.042) 23.182 2.927 ( 13.076 6.175 -0.792) 14.483 3.265 ( -0.238 0.131 -3.556) 3.567 3.321 ( -0.652 0.508 1.408) 1.632 3.575 ( 4.395 -0.636 4.096) 6.042 3.770 ( 7.211 3.455 -2.488) 8.374 4.759 ( -1.352 -3.547 -5.382) 6.586 5.049 ( -3.144 0.217 2.007) 3.736 5.376 ( -12.516 -6.382 1.847) 14.170 5.829 ( 11.817 4.463 0.536) 12.643 7.144 ( -3.152 -5.151 -14.214) 15.444 7.793 ( 1.817 -1.416 -6.411) 6.812 7.912 ( 9.064 -6.457 13.925) 17.826 8.005 ( 5.894 4.302 2.554) 7.731 8.646 ( -12.618 1.848 -6.459) 14.295 9.361 ( 0.889 12.320 13.491) 18.291 13.143 ( -13.852 -15.273 -12.382) 24.051 13.694 ( -25.843 0.275 -0.005) 25.845 14.116 ( 23.394 -0.031 0.391) 23.398 14.692 ( 3.479 18.610 14.705) 23.972 17.269 ( 3.680 -4.564 -4.677) 7.500 17.343 ( 3.241 -1.642 -0.841) 3.729 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -9.718 -21.070 -16.924) 28.720 1.886 ( -18.264 1.712 -8.000) 20.012 1.931 ( -23.913 -6.262 6.568) 25.577 3.067 ( 0.001 2.599 1.127) 2.833 3.226 ( -0.820 -1.978 -2.265) 3.117 3.428 ( 7.780 3.329 2.009) 8.697 3.733 ( 10.243 0.794 3.838) 10.967 3.868 ( 4.392 2.522 -7.184) 8.790 4.724 ( 2.654 -3.086 -0.228) 4.077 4.965 ( -6.465 -0.016 -0.610) 6.494 5.087 ( -14.998 -4.946 0.126) 15.792 6.054 ( 9.372 2.828 1.782) 9.950 6.968 ( -4.280 -3.413 -9.754) 11.185 7.729 ( -1.260 -6.798 4.231) 8.106 8.046 ( 0.405 6.727 0.170) 6.742 8.253 ( 13.186 5.894 -2.595) 14.675 8.452 ( -2.093 -7.009 -0.887) 7.368 9.552 ( -0.314 9.314 11.606) 14.885 12.708 ( -12.179 -12.411 -10.962) 20.555 13.248 ( -26.477 -0.143 0.471) 26.481 14.488 ( 19.849 0.281 0.049) 19.851 14.983 ( 2.231 13.953 11.385) 18.146 17.266 ( 4.517 -4.368 -4.714) 7.855 17.377 ( 2.496 -0.634 -0.430) 2.611 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -11.735 -18.417 -14.917) 26.446 1.477 ( -26.974 -8.957 12.340) 30.986 1.499 ( -23.681 6.020 -14.176) 28.249 3.085 ( -0.211 2.345 0.382) 2.385 3.196 ( 0.776 -1.592 0.526) 1.847 3.574 ( 2.992 2.202 3.398) 5.035 3.854 ( 1.245 -1.080 -5.887) 6.113 3.986 ( 12.603 2.163 -0.659) 12.804 4.713 ( -2.360 -5.578 2.552) 6.573 4.782 ( -14.522 -4.061 3.250) 15.426 4.916 ( 1.219 5.527 -6.642) 8.727 6.220 ( 6.582 1.328 1.155) 6.813 6.799 ( -7.140 -2.381 -4.514) 8.776 7.693 ( 0.549 -3.721 2.484) 4.507 8.001 ( -11.192 5.454 -0.120) 12.451 8.433 ( 11.189 0.739 -11.291) 15.913 8.554 ( 13.286 -2.947 8.033) 15.803 9.675 ( -0.742 5.022 8.115) 9.573 12.366 ( -9.618 -7.203 -6.652) 13.734 12.810 ( -24.644 -0.238 0.434) 24.649 14.791 ( 15.319 0.468 -0.227) 15.327 15.178 ( 1.365 7.843 6.609) 10.347 17.279 ( 4.465 -3.130 -3.667) 6.571 17.408 ( 1.708 -0.104 -0.171) 1.720 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -14.375 0.000 0.000) 14.375 0.995 ( -28.786 0.000 0.000) 28.786 1.040 ( -28.017 0.000 0.000) 28.017 3.124 ( 3.387 -0.000 -0.000) 3.387 3.227 ( 2.526 -0.000 -0.000) 2.526 3.598 ( -2.869 0.000 0.000) 2.869 3.802 ( -2.507 0.000 0.000) 2.507 4.202 ( 10.700 -0.000 -0.000) 10.700 4.554 ( -10.415 0.000 0.000) 10.415 4.621 ( -4.344 0.000 0.000) 4.344 5.002 ( 6.164 -0.000 -0.000) 6.164 6.319 ( 3.950 -0.000 -0.000) 3.950 6.630 ( -9.080 0.000 0.000) 9.080 7.699 ( 1.232 -0.000 -0.000) 1.232 7.853 ( -8.052 0.000 0.000) 8.052 8.575 ( 8.600 -0.000 -0.000) 8.600 8.786 ( 11.707 -0.000 -0.000) 11.707 9.721 ( -0.211 0.000 0.000) 0.211 12.171 ( -6.470 0.000 0.000) 6.470 12.428 ( -19.715 0.000 0.000) 19.715 15.009 ( 9.924 -0.000 -0.000) 9.924 15.261 ( 1.348 -0.000 -0.000) 1.348 17.316 ( 3.290 -0.000 -0.000) 3.290 17.430 ( 0.986 -0.000 -0.000) 0.986 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.000 8.876 9.771) 13.201 0.642 ( -0.000 10.268 7.566) 12.754 1.847 ( -0.000 24.044 21.774) 32.439 3.204 ( -0.000 -1.296 5.724) 5.869 3.374 ( -0.000 3.125 0.320) 3.141 3.659 ( 0.000 3.441 -0.681) 3.508 3.707 ( -0.000 5.297 2.568) 5.886 4.013 ( 0.000 -16.293 -7.781) 18.055 4.317 ( 0.000 -1.532 -3.070) 3.431 4.628 ( 0.000 5.085 -0.483) 5.108 5.411 ( -0.000 -9.447 12.329) 15.532 6.249 ( 0.000 -4.786 -3.862) 6.149 6.713 ( -0.000 -0.689 5.615) 5.657 7.731 ( 0.000 -1.163 -3.295) 3.494 7.995 ( -0.000 13.385 10.959) 17.299 8.075 ( 0.000 -15.546 -14.838) 21.490 8.967 ( -0.000 -0.855 3.674) 3.772 9.605 ( 0.000 12.423 -9.931) 15.905 12.062 ( -0.000 -0.458 0.905) 1.014 12.912 ( -0.000 24.685 18.992) 31.145 15.192 ( -0.000 -1.812 1.950) 2.662 15.264 ( 0.000 -1.094 -0.741) 1.321 17.061 ( 0.000 -14.657 -6.079) 15.868 17.401 ( 0.000 -2.780 -1.314) 3.075 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 14.747 14.362 -3.743) 20.923 0.982 ( 19.723 1.616 16.583) 25.819 2.184 ( -0.546 19.460 17.588) 26.236 3.247 ( 0.855 0.346 6.252) 6.319 3.266 ( -10.388 4.136 -0.500) 11.192 3.640 ( -4.980 0.287 3.662) 6.188 3.754 ( -1.684 -18.984 -8.352) 20.808 3.981 ( 15.728 1.132 3.713) 16.200 4.268 ( -0.036 1.658 -8.874) 9.027 4.726 ( 5.214 4.533 -0.215) 6.912 5.331 ( -7.450 -3.445 7.721) 11.269 6.147 ( -2.438 -6.059 -4.871) 8.147 6.768 ( 6.633 -4.692 2.891) 8.624 7.645 ( 1.081 -8.479 -6.063) 10.480 7.892 ( -0.263 -8.279 -9.965) 12.958 8.275 ( 4.385 17.495 12.338) 21.853 8.918 ( -7.251 -2.033 6.032) 9.649 9.624 ( -5.354 11.494 -7.028) 14.498 12.161 ( 11.165 -0.481 1.123) 11.232 13.308 ( 2.008 26.608 20.454) 33.621 15.081 ( -15.016 -6.445 6.230) 17.488 15.155 ( -6.203 3.154 -6.697) 9.658 16.971 ( 10.495 -14.490 -7.650) 19.458 17.355 ( 0.069 -4.245 -2.533) 4.944 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 20.458 10.132 -2.988) 23.024 1.473 ( 23.296 2.649 12.578) 26.607 2.410 ( -3.028 12.908 11.512) 17.559 3.149 ( -6.187 0.383 -2.706) 6.764 3.295 ( 0.094 0.279 3.755) 3.766 3.447 ( -2.617 -16.570 -4.760) 17.437 3.595 ( -5.036 -1.080 2.440) 5.699 4.077 ( -6.309 -2.634 2.831) 7.400 4.426 ( 18.995 4.777 -4.592) 20.117 4.857 ( 6.060 2.659 -2.371) 7.029 5.233 ( -6.222 1.732 3.330) 7.267 5.995 ( -4.228 -6.387 -5.138) 9.223 6.883 ( 12.161 -7.254 1.203) 14.211 7.549 ( 5.952 -13.890 -9.499) 17.849 7.753 ( -5.084 -1.566 -3.670) 6.463 8.578 ( -2.087 18.684 7.576) 20.269 8.799 ( -5.937 -3.113 13.244) 14.844 9.563 ( -10.333 11.350 -5.558) 16.324 12.430 ( 19.528 -0.466 1.235) 19.572 13.744 ( 3.059 26.679 20.448) 33.753 14.710 ( -21.160 -7.490 0.199) 22.448 15.009 ( -10.546 1.953 -3.699) 11.345 17.001 ( 12.613 -11.864 -6.707) 18.570 17.290 ( 0.556 -5.653 -3.962) 6.925 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 22.546 6.125 -0.789) 23.376 1.944 ( 19.273 4.799 7.795) 21.337 2.429 ( -8.012 -0.206 0.149) 8.016 2.980 ( -4.191 -10.508 -2.888) 11.676 3.274 ( -2.708 0.197 -2.551) 3.725 3.365 ( 4.187 -0.881 1.553) 4.552 3.531 ( -4.725 -0.584 5.911) 7.590 3.900 ( -11.041 -2.186 -1.536) 11.360 4.774 ( 15.386 1.604 5.500) 16.418 4.924 ( 3.480 -0.921 -5.060) 6.210 5.220 ( 0.899 6.066 -3.069) 6.858 5.828 ( -4.849 -5.585 -3.905) 8.364 7.047 ( 15.216 -7.733 -1.030) 17.099 7.437 ( 5.114 -15.316 -10.599) 19.316 7.675 ( -3.608 3.838 0.751) 5.321 8.481 ( -15.316 -1.156 5.913) 16.458 9.003 ( 4.304 13.665 14.834) 20.623 9.429 ( -14.641 11.054 -3.771) 18.729 12.811 ( 24.381 -0.389 1.117) 24.410 14.152 ( -3.164 15.023 12.623) 19.875 14.272 ( -15.427 0.568 2.849) 15.698 14.786 ( -15.387 1.502 -2.382) 15.643 17.068 ( 11.132 -8.548 -4.942) 14.880 17.217 ( 1.563 -6.764 -5.277) 8.721 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -6.871 -13.123 -12.408) 19.323 2.167 ( 16.599 1.814 4.688) 17.344 2.313 ( 11.936 7.171 -0.659) 13.940 2.792 ( -7.954 -8.800 4.351) 12.634 3.258 ( 0.995 3.365 -3.881) 5.232 3.478 ( -5.777 1.727 4.675) 7.630 3.489 ( 7.438 1.008 0.046) 7.506 3.674 ( -10.279 -3.440 0.874) 10.875 4.829 ( -1.183 -4.573 -7.570) 8.923 5.061 ( 4.449 1.006 11.373) 12.254 5.361 ( 12.320 6.787 -8.044) 16.203 5.674 ( -5.376 -4.730 -1.610) 7.339 7.163 ( 6.041 -6.824 -9.778) 13.367 7.374 ( 11.747 -9.830 -1.907) 15.435 7.713 ( 2.261 4.530 1.108) 5.183 8.230 ( -14.159 -5.380 6.859) 16.627 9.187 ( -11.417 6.122 -1.103) 13.002 9.334 ( -3.395 16.500 10.893) 20.061 13.247 ( 26.133 -0.318 0.804) 26.147 13.735 ( -20.866 -10.579 -6.301) 24.228 14.486 ( -19.587 1.379 -1.332) 19.681 14.590 ( 2.367 21.742 16.960) 27.676 17.146 ( 8.592 -5.533 -3.409) 10.773 17.151 ( 3.414 -7.125 -5.795) 9.798 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -10.289 -17.882 -14.014) 24.941 2.330 ( -4.787 3.813 -0.517) 6.142 2.516 ( -4.796 -4.895 2.346) 7.243 2.714 ( 13.361 2.803 2.510) 13.881 3.278 ( -1.949 3.455 -3.925) 5.580 3.370 ( -5.068 -1.927 -0.300) 5.430 3.570 ( -0.778 -2.798 8.761) 9.230 3.648 ( 7.539 3.826 -4.221) 9.449 4.709 ( -1.446 -4.316 -5.548) 7.176 5.130 ( -2.807 1.499 4.569) 5.568 5.498 ( -6.486 -4.269 -1.071) 7.838 5.643 ( 13.368 3.588 -1.215) 13.894 7.059 ( -1.253 -4.586 -8.976) 10.157 7.564 ( 16.248 -2.649 -4.149) 16.977 7.841 ( 5.814 2.181 4.501) 7.669 8.011 ( -7.671 -5.984 4.961) 10.921 8.944 ( -18.531 4.317 -2.018) 19.134 9.544 ( 0.637 11.828 9.841) 15.400 13.242 ( -19.312 -9.544 -6.995) 22.649 13.697 ( 25.546 -0.222 0.706) 25.557 14.119 ( -23.476 0.601 -0.570) 23.491 14.916 ( 1.844 16.970 13.159) 21.553 17.107 ( 4.442 -6.631 -5.748) 9.836 17.227 ( 6.908 -2.769 -1.641) 7.621 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -11.651 -13.426 -10.454) 20.622 2.151 ( -15.173 1.596 -3.448) 15.641 2.278 ( -17.771 -3.523 4.049) 18.564 3.035 ( 12.322 3.618 1.360) 12.914 3.210 ( -2.029 -1.358 -2.544) 3.526 3.334 ( 1.959 0.233 -0.136) 1.978 3.647 ( 4.616 -0.391 7.671) 8.961 3.757 ( 5.903 1.784 -7.027) 9.349 4.656 ( 1.502 -2.005 -1.503) 2.922 5.074 ( -6.138 0.658 0.398) 6.186 5.291 ( -12.470 -2.997 0.440) 12.833 5.897 ( 12.481 1.658 0.356) 12.596 6.952 ( -2.474 -1.847 -4.934) 5.821 7.713 ( 1.696 -0.079 -3.357) 3.762 7.929 ( 9.300 -4.371 6.752) 12.296 8.070 ( 11.327 2.235 -1.338) 11.622 8.640 ( -18.731 0.993 -0.755) 18.772 9.689 ( 0.063 6.252 5.598) 8.392 12.815 ( -16.933 -5.988 -4.835) 18.600 13.698 ( -25.944 0.149 0.011) 25.944 14.119 ( 23.475 -0.032 0.229) 23.477 15.138 ( 1.131 9.480 7.398) 12.078 17.106 ( 5.351 -4.177 -3.741) 7.751 17.303 ( 4.898 -0.934 -0.580) 5.020 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -13.436 0.000 0.000) 13.436 1.850 ( -19.449 0.000 0.000) 19.449 1.912 ( -24.060 0.000 0.000) 24.060 3.125 ( -1.787 0.000 0.000) 1.787 3.172 ( 0.239 -0.000 -0.000) 0.239 3.480 ( 10.623 -0.000 -0.000) 10.623 3.793 ( 9.558 -0.000 -0.000) 9.558 3.807 ( 2.597 -0.000 -0.000) 2.597 4.683 ( 2.518 -0.000 -0.000) 2.518 4.968 ( -5.768 0.000 0.000) 5.768 5.035 ( -15.501 0.000 0.000) 15.501 6.094 ( 9.495 -0.000 -0.000) 9.495 6.871 ( -4.370 0.000 0.000) 4.370 7.683 ( -1.098 0.000 0.000) 1.098 8.164 ( 14.760 -0.000 -0.000) 14.760 8.240 ( -2.022 0.000 0.000) 2.022 8.381 ( -1.654 0.000 0.000) 1.654 9.735 ( -0.357 0.000 0.000) 0.357 12.508 ( -13.504 0.000 0.000) 13.504 13.250 ( -26.547 0.000 0.000) 26.547 14.491 ( 19.955 -0.000 -0.000) 19.955 15.226 ( 0.890 -0.000 -0.000) 0.890 17.164 ( 5.302 -0.000 -0.000) 5.302 17.365 ( 3.111 -0.000 -0.000) 3.111 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.000 7.601 7.996) 11.032 0.919 ( -0.000 8.657 6.601) 10.887 2.473 ( -0.000 16.903 14.377) 22.190 3.294 ( -0.000 1.225 6.589) 6.702 3.426 ( 0.000 2.118 -0.884) 2.295 3.467 ( 0.000 -23.977 -14.698) 28.123 3.728 ( -0.000 -0.309 5.581) 5.590 3.829 ( -0.000 3.570 3.318) 4.874 4.249 ( 0.000 0.518 -5.241) 5.267 4.723 ( 0.000 4.642 -0.961) 4.740 5.404 ( -0.000 -2.357 5.057) 5.579 6.071 ( 0.000 -6.927 -5.328) 8.739 6.660 ( -0.000 -7.415 0.859) 7.464 7.398 ( 0.000 -17.090 -11.596) 20.653 7.876 ( 0.000 2.951 -4.084) 5.039 8.516 ( -0.000 19.683 15.972) 25.348 9.001 ( -0.000 -0.657 3.632) 3.691 9.748 ( 0.000 10.412 -2.808) 10.784 12.066 ( -0.000 -0.319 1.045) 1.093 13.690 ( -0.000 27.483 21.420) 34.844 15.183 ( -0.000 -1.151 1.316) 1.749 15.236 ( 0.000 -0.836 -0.493) 0.970 16.646 ( 0.000 -16.381 -10.325) 19.364 17.282 ( 0.000 -6.219 -4.058) 7.426 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 11.234 10.909 -1.189) 15.704 1.205 ( 18.250 2.149 12.483) 22.215 2.659 ( -4.746 10.944 8.703) 14.766 3.083 ( -1.474 -23.983 -14.753) 28.196 3.339 ( -3.609 1.921 2.333) 4.707 3.379 ( -2.905 2.151 1.167) 3.799 3.707 ( -4.197 -2.922 6.811) 8.517 4.067 ( 14.421 -0.055 7.632) 16.316 4.212 ( 0.119 4.525 -8.791) 9.888 4.783 ( 3.342 2.179 -2.479) 4.697 5.368 ( -5.243 0.706 2.665) 5.924 5.953 ( -2.112 -6.424 -4.981) 8.399 6.643 ( 6.927 -8.283 -0.092) 10.798 7.220 ( 5.201 -15.182 -9.904) 18.858 7.850 ( -4.229 3.422 -2.148) 5.849 8.824 ( 1.552 18.752 11.429) 22.015 8.953 ( -6.378 -1.784 6.551) 9.315 9.792 ( -5.772 10.581 -0.433) 12.061 12.167 ( 11.152 -0.234 1.008) 11.200 14.101 ( 1.175 26.543 20.749) 33.711 15.025 ( -19.776 -5.038 3.113) 20.644 15.141 ( -5.426 2.107 -3.893) 7.003 16.572 ( 14.994 -14.155 -9.242) 22.597 17.185 ( 0.418 -7.891 -5.601) 9.686 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 17.601 6.795 -0.843) 18.886 1.664 ( 23.322 2.636 8.849) 25.083 2.486 ( -9.120 -16.826 -11.581) 22.370 2.910 ( -0.241 -1.562 0.401) 1.630 3.316 ( -1.453 1.707 -1.406) 2.646 3.361 ( -3.090 2.062 2.025) 4.231 3.652 ( -3.877 -1.861 7.912) 9.005 4.058 ( -9.287 -0.283 -0.250) 9.294 4.497 ( 21.218 3.257 1.972) 21.557 4.818 ( 2.867 -1.627 -5.359) 6.292 5.307 ( -4.767 3.793 0.416) 6.106 5.819 ( -3.489 -5.089 -3.994) 7.350 6.732 ( 12.423 -6.948 -0.466) 14.242 7.133 ( 6.597 -12.517 -7.840) 16.177 7.790 ( -5.140 3.136 -0.333) 6.031 8.755 ( -14.043 -0.380 2.475) 14.265 9.141 ( 4.314 12.197 11.497) 17.308 9.757 ( -11.105 10.986 1.781) 15.722 12.437 ( 19.482 -0.165 0.851) 19.501 14.466 ( -6.554 15.077 12.838) 20.859 14.603 ( -17.905 2.676 4.631) 18.687 15.006 ( -10.361 1.274 -2.041) 10.637 16.694 ( 17.392 -9.858 -6.289) 20.958 17.077 ( 1.310 -8.794 -6.678) 11.120 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 19.733 2.227 -1.850) 19.944 2.046 ( -1.980 -15.085 -7.235) 16.847 2.132 ( 14.597 -0.312 -0.233) 14.602 2.874 ( -5.694 -1.089 2.740) 6.413 3.267 ( -2.101 1.948 -2.645) 3.899 3.400 ( 3.785 0.743 0.062) 3.858 3.637 ( -4.748 2.610 6.875) 8.754 3.849 ( -12.677 -2.200 -0.027) 12.867 4.748 ( 0.741 -3.544 -5.800) 6.837 4.926 ( 18.828 0.882 5.755) 19.708 5.293 ( -1.514 5.437 -3.389) 6.583 5.692 ( -3.670 -4.006 -2.546) 6.000 6.908 ( 13.655 -3.145 -1.769) 14.124 7.092 ( 6.740 -9.939 -4.797) 12.932 7.753 ( -2.078 2.615 0.645) 3.402 8.493 ( -16.641 -1.933 2.679) 16.966 9.336 ( 0.121 6.068 3.956) 7.245 9.678 ( -11.941 11.518 5.477) 17.472 12.817 ( 24.296 -0.121 0.591) 24.304 14.031 ( -26.245 -5.959 -2.811) 27.059 14.787 ( -15.002 1.352 -1.143) 15.106 14.858 ( 1.249 18.042 14.511) 23.187 16.865 ( 14.875 -5.718 -3.595) 16.336 16.984 ( 2.668 -8.179 -6.501) 10.783 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -8.713 -12.950 -9.665) 18.359 2.237 ( 19.466 0.967 1.480) 19.546 2.425 ( 9.678 3.825 -0.519) 10.420 2.729 ( -8.825 -3.152 2.751) 9.767 3.283 ( 2.326 2.199 -1.766) 3.656 3.487 ( 5.220 -0.789 1.007) 5.375 3.528 ( -12.438 1.025 -1.890) 12.623 3.688 ( -4.510 0.011 4.162) 6.137 4.663 ( -1.304 -2.977 -3.999) 5.153 5.218 ( 1.055 0.495 10.241) 10.307 5.352 ( 13.350 2.841 -9.026) 16.364 5.590 ( -3.191 -2.032 -0.457) 3.811 6.989 ( 1.102 -1.768 -3.866) 4.391 7.219 ( 17.760 -4.043 -0.484) 18.221 7.789 ( 3.376 1.694 0.689) 3.839 8.206 ( -15.770 -2.121 1.927) 16.028 9.257 ( -13.766 2.116 -0.371) 13.933 9.696 ( -2.421 7.196 5.305) 9.262 13.249 ( 25.491 -0.145 0.209) 25.492 13.529 ( -23.885 -4.066 -2.521) 24.360 14.491 ( -19.747 0.403 -0.422) 19.756 15.098 ( 1.192 10.495 8.211) 13.378 16.939 ( 4.146 -5.121 -4.204) 7.816 17.035 ( 11.460 -2.294 -1.423) 11.773 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -10.670 0.000 0.000) 10.670 2.371 ( -8.409 0.000 0.000) 8.409 2.478 ( -5.333 0.000 0.000) 5.333 2.763 ( 16.675 -0.000 -0.000) 16.675 3.300 ( -10.061 0.000 0.000) 10.061 3.328 ( 1.119 -0.000 -0.000) 1.119 3.618 ( 7.912 -0.000 -0.000) 7.912 3.651 ( -1.438 0.000 0.000) 1.438 4.624 ( 0.049 -0.000 -0.000) 0.049 5.181 ( -5.365 0.000 0.000) 5.365 5.439 ( -5.709 0.000 0.000) 5.709 5.673 ( 14.105 -0.000 -0.000) 14.105 6.959 ( -1.361 0.000 0.000) 1.361 7.507 ( 17.329 -0.000 -0.000) 17.329 7.904 ( 8.423 -0.000 -0.000) 8.423 7.967 ( -10.523 0.000 0.000) 10.523 8.977 ( -19.108 0.000 0.000) 19.108 9.735 ( 0.110 -0.000 -0.000) 0.110 13.099 ( -21.204 0.000 0.000) 21.204 13.700 ( 25.578 -0.000 -0.000) 25.578 14.122 ( -23.495 0.000 0.000) 23.495 15.195 ( 0.956 -0.000 -0.000) 0.956 16.980 ( 5.155 -0.000 -0.000) 5.155 17.186 ( 8.003 -0.000 -0.000) 8.003 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 5.206 5.286) 7.419 1.137 ( -0.000 5.872 4.980) 7.699 2.688 ( 0.000 -29.649 -19.015) 35.223 2.892 ( -0.000 12.490 7.726) 14.686 3.432 ( 0.000 -0.556 -0.563) 0.791 3.441 ( -0.000 4.499 3.688) 5.817 3.737 ( -0.000 -5.716 4.365) 7.192 3.942 ( -0.000 2.624 4.930) 5.585 4.238 ( 0.000 4.104 -3.443) 5.357 4.754 ( 0.000 0.413 -2.660) 2.691 5.438 ( -0.000 1.312 1.621) 2.085 5.886 ( 0.000 -4.815 -3.860) 6.172 6.498 ( 0.000 -8.208 -0.479) 8.222 6.989 ( 0.000 -11.435 -7.481) 13.665 7.907 ( 0.000 3.183 -2.126) 3.828 9.027 ( -0.000 -0.648 2.570) 2.651 9.044 ( -0.000 14.183 11.114) 18.019 9.953 ( -0.000 10.423 2.809) 10.795 12.074 ( -0.000 -0.117 0.839) 0.847 14.470 ( -0.000 24.407 19.218) 31.065 15.180 ( -0.000 -0.774 1.203) 1.431 15.221 ( 0.000 -0.368 -0.116) 0.386 16.205 ( 0.000 -13.966 -10.305) 17.357 17.056 ( 0.000 -9.322 -6.834) 11.558 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 9.156 6.258 -0.497) 11.101 1.363 ( 18.052 1.038 7.253) 19.482 2.264 ( -3.321 -25.202 -17.020) 30.592 3.014 ( -3.555 8.574 4.432) 10.286 3.362 ( -3.296 -0.085 -0.118) 3.299 3.476 ( -4.779 2.903 1.410) 5.767 3.686 ( 0.289 -4.857 4.017) 6.309 4.165 ( 10.303 -0.752 8.731) 13.526 4.226 ( 1.782 5.676 -6.433) 8.761 4.740 ( 1.019 -1.895 -3.653) 4.240 5.424 ( -3.953 2.549 0.802) 4.771 5.807 ( -2.587 -3.204 -2.693) 4.921 6.491 ( 7.892 -5.949 -0.295) 9.887 6.894 ( 4.332 -8.169 -5.106) 10.562 7.890 ( -3.604 2.333 -1.082) 4.428 8.960 ( -8.492 -0.379 1.577) 8.645 9.239 ( 2.748 8.524 6.888) 11.298 10.024 ( -5.854 9.351 4.000) 11.735 12.175 ( 11.131 -0.057 0.606) 11.147 14.794 ( -1.867 17.937 14.337) 23.038 14.973 ( -21.733 -1.770 1.942) 21.892 15.138 ( -5.201 1.050 -1.715) 5.576 16.237 ( 19.459 -8.825 -6.269) 22.267 16.926 ( 0.777 -9.079 -6.893) 11.426 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 15.388 2.231 -0.528) 15.558 1.779 ( 23.447 0.601 3.945) 23.784 1.908 ( -3.682 -14.422 -10.738) 18.354 3.001 ( -6.131 2.796 2.009) 7.032 3.338 ( -3.484 2.034 -0.869) 4.127 3.378 ( -2.928 -1.601 -0.090) 3.338 3.721 ( 1.428 0.623 4.093) 4.379 4.054 ( -12.340 -0.267 0.035) 12.343 4.575 ( 21.776 1.867 1.732) 21.924 4.704 ( 0.547 -2.649 -3.444) 4.379 5.385 ( -4.093 2.836 0.259) 4.986 5.706 ( -3.826 -2.413 -1.780) 4.861 6.637 ( 13.593 -2.237 0.062) 13.776 6.893 ( 5.442 -4.786 -2.833) 7.781 7.832 ( -4.333 1.254 -0.142) 4.513 8.764 ( -14.517 -0.484 0.948) 14.556 9.377 ( 2.632 3.530 2.574) 5.100 9.984 ( -10.119 5.981 3.122) 12.162 12.442 ( 19.443 -0.028 0.310) 19.446 14.452 ( -28.711 -2.478 -0.713) 28.827 15.006 ( -10.231 0.706 -0.818) 10.287 15.063 ( 0.710 10.947 8.993) 14.185 16.498 ( 19.976 -3.791 -2.520) 20.488 16.835 ( 1.958 -5.932 -4.631) 7.776 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -4.580 0.000 0.000) 4.580 1.898 ( 18.596 -0.000 -0.000) 18.596 2.185 ( 20.125 -0.000 -0.000) 20.125 2.890 ( -9.117 0.000 0.000) 9.117 3.271 ( -1.503 0.000 0.000) 1.503 3.398 ( 3.489 -0.000 -0.000) 3.489 3.749 ( -1.298 0.000 0.000) 1.298 3.801 ( -16.046 0.000 0.000) 16.046 4.658 ( -1.351 0.000 0.000) 1.351 4.979 ( 22.112 -0.000 -0.000) 22.112 5.332 ( -4.010 0.000 0.000) 4.010 5.628 ( -3.083 0.000 0.000) 3.083 6.893 ( 17.006 -0.000 -0.000) 17.006 6.936 ( 3.406 -0.000 -0.000) 3.406 7.784 ( -1.535 0.000 0.000) 1.535 8.489 ( -17.170 0.000 0.000) 17.170 9.408 ( -2.826 0.000 0.000) 2.826 9.850 ( -9.388 0.000 0.000) 9.388 12.820 ( 24.252 -0.000 -0.000) 24.252 13.949 ( -27.876 0.000 0.000) 27.876 14.789 ( -15.202 0.000 0.000) 15.202 15.162 ( 0.907 -0.000 -0.000) 0.907 16.782 ( 16.149 -0.000 -0.000) 16.149 16.834 ( 3.240 -0.000 -0.000) 3.240 ======================= Grid point 60 (35/146) ======================= q-point: ( 0.45 0.45 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 1.849 1.845) 2.612 1.260 ( -0.000 2.072 1.916) 2.822 1.985 ( 0.000 -16.290 -11.130) 19.730 3.174 ( -0.000 9.286 2.737) 9.681 3.383 ( -0.000 -4.623 0.385) 4.639 3.544 ( -0.000 2.296 1.140) 2.563 3.651 ( -0.000 -3.708 -0.026) 3.708 4.039 ( -0.000 1.472 2.857) 3.214 4.287 ( 0.000 2.200 -0.483) 2.253 4.696 ( 0.000 -1.650 -2.045) 2.628 5.481 ( -0.000 1.299 0.264) 1.325 5.804 ( 0.000 -0.886 -1.009) 1.343 6.366 ( 0.000 -3.755 -0.283) 3.766 6.772 ( 0.000 -4.059 -2.546) 4.791 7.934 ( 0.000 1.246 -0.724) 1.441 9.039 ( -0.000 -0.292 0.923) 0.968 9.308 ( -0.000 4.189 3.008) 5.157 10.172 ( -0.000 5.536 2.945) 6.271 12.080 ( -0.000 -0.015 0.321) 0.321 15.034 ( -0.000 11.451 9.005) 14.567 15.181 ( -0.000 -0.351 0.645) 0.734 15.219 ( -0.000 0.160 0.274) 0.317 15.903 ( 0.000 -5.712 -4.623) 7.348 16.803 ( 0.000 -6.260 -4.798) 7.888 ======================= Grid point 61 (36/146) ======================= q-point: (-0.45 -0.55 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 8.295 -0.000 -0.000) 8.295 1.419 ( 18.250 -0.000 -0.000) 18.250 1.847 ( -2.146 0.000 0.000) 2.146 3.150 ( -7.998 0.000 0.000) 7.998 3.350 ( 0.268 -0.000 -0.000) 0.268 3.497 ( -8.153 0.000 0.000) 8.153 3.669 ( 5.057 -0.000 -0.000) 5.057 4.231 ( -7.529 0.000 0.000) 7.529 4.235 ( 17.982 -0.000 -0.000) 17.982 4.682 ( 0.023 -0.000 -0.000) 0.023 5.462 ( -2.886 0.000 0.000) 2.886 5.759 ( -3.906 0.000 0.000) 3.906 6.428 ( 8.920 -0.000 -0.000) 8.920 6.780 ( 3.867 -0.000 -0.000) 3.867 7.907 ( -3.378 0.000 0.000) 3.378 8.966 ( -8.565 0.000 0.000) 8.565 9.358 ( 2.287 -0.000 -0.000) 2.287 10.161 ( -5.648 0.000 0.000) 5.648 12.178 ( 11.120 -0.000 -0.000) 11.120 14.915 ( -25.623 0.000 0.000) 25.623 15.137 ( -5.157 0.000 0.000) 5.157 15.142 ( -0.210 0.000 0.000) 0.210 16.107 ( 21.465 -0.000 -0.000) 21.465 16.763 ( 1.005 -0.000 -0.000) 1.005 ======================= Grid point 135 (37/146) ======================= q-point: ( 0.09 0.09 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 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -0.000 0.000 27.711) 27.711 0.523 ( -0.000 0.000 27.711) 27.711 0.687 ( -0.000 0.000 36.368) 36.368 3.284 ( 0.000 -0.000 -0.996) 0.996 3.284 ( 0.000 -0.000 -0.996) 0.996 3.445 ( -0.000 0.000 2.412) 2.412 3.445 ( -0.000 0.000 2.412) 2.412 4.421 ( -0.000 0.000 2.566) 2.566 4.421 ( -0.000 0.000 2.566) 2.566 4.502 ( 0.000 -0.000 -4.443) 4.443 6.160 ( 0.000 -0.000 -12.243) 12.243 6.358 ( 0.000 -0.000 -2.511) 2.511 6.735 ( -0.000 0.000 17.767) 17.767 7.724 ( 0.000 0.000 -0.058) 0.058 7.724 ( 0.000 -0.000 -0.058) 0.058 8.676 ( 0.000 -0.000 -4.923) 4.923 8.676 ( 0.000 -0.000 -4.923) 4.923 8.980 ( 0.000 -0.000 -2.720) 2.720 12.157 ( -0.000 0.000 10.031) 10.031 12.157 ( -0.000 0.000 10.031) 10.031 15.255 ( 0.000 -0.000 -5.197) 5.197 15.255 ( 0.000 -0.000 -5.197) 5.197 17.448 ( -0.000 0.000 0.322) 0.322 17.630 ( 0.000 -0.000 -0.523) 0.523 ======================= Grid point 136 (38/146) ======================= q-point: ( 0.18 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 3.699 2.135 14.606) 15.217 0.975 ( 14.005 8.086 24.935) 29.719 1.167 ( 13.983 8.073 31.100) 35.042 3.154 ( -5.355 -3.092 -1.843) 6.453 3.274 ( -1.794 -1.036 4.364) 4.831 3.511 ( 2.021 1.167 1.425) 2.734 3.728 ( 18.267 10.547 -3.774) 21.428 4.319 ( -7.501 -4.330 -3.289) 9.264 4.345 ( -5.150 -2.974 0.739) 5.993 4.587 ( 5.962 3.442 1.092) 6.970 5.686 ( -25.123 -14.505 11.168) 31.086 6.316 ( -2.153 -1.243 -3.571) 4.352 6.738 ( 0.836 0.483 17.828) 17.854 7.685 ( -1.835 -1.060 -1.224) 2.448 7.792 ( 4.305 2.485 2.069) 5.384 8.654 ( -3.376 -1.949 -7.069) 8.073 8.954 ( -1.663 -0.960 2.542) 3.186 9.016 ( 18.865 10.892 -27.448) 35.042 12.202 ( 4.281 2.472 6.982) 8.555 12.406 ( 8.977 5.183 17.557) 20.389 15.121 ( -5.394 -3.114 -9.677) 11.508 15.232 ( -3.640 -2.102 1.575) 4.489 17.442 ( -0.638 -0.368 0.106) 0.744 17.474 ( -7.088 -4.092 1.641) 8.347 ======================= Grid point 137 (39/146) ======================= q-point: ( 0.27 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 21.788 12.579 -5.053) 25.661 1.446 ( 14.359 8.290 21.348) 27.030 1.642 ( 11.700 6.755 26.293) 29.561 3.057 ( -2.200 -1.270 -1.072) 2.757 3.299 ( 0.580 0.335 7.198) 7.229 3.514 ( -2.120 -1.224 -0.201) 2.456 4.085 ( -10.200 -5.889 -5.615) 13.048 4.107 ( 10.396 6.002 6.941) 13.866 4.231 ( 2.143 1.237 -12.841) 13.077 4.746 ( 6.809 3.931 1.977) 8.107 5.311 ( -14.743 -8.512 10.610) 20.059 6.213 ( -4.548 -2.626 -5.047) 7.283 6.935 ( 6.995 4.039 12.616) 14.980 7.630 ( -2.022 -1.167 -2.027) 3.092 7.941 ( 6.482 3.742 5.467) 9.268 8.450 ( -8.423 -4.863 -12.858) 16.123 8.936 ( -4.172 -2.409 11.912) 12.850 9.119 ( 6.043 3.489 -22.981) 24.017 12.425 ( 12.005 6.931 3.869) 14.392 12.769 ( 11.722 6.768 22.361) 26.138 14.891 ( -8.345 -4.818 -13.946) 16.952 15.112 ( -9.143 -5.279 6.784) 12.549 17.372 ( -2.047 -1.182 -2.933) 3.767 17.420 ( -1.124 -0.649 -0.816) 1.534 ======================= Grid point 138 (40/146) ======================= q-point: ( 0.36 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 25.197 14.548 -9.796) 30.700 1.870 ( 11.942 6.895 16.378) 21.410 2.013 ( 7.851 4.533 20.930) 22.809 3.038 ( 0.463 0.267 -0.106) 0.545 3.370 ( 0.915 0.528 8.150) 8.218 3.424 ( -5.037 -2.908 -0.886) 5.883 3.808 ( -10.435 -6.025 -5.943) 13.436 4.015 ( -8.123 -4.690 -2.796) 9.788 4.544 ( 18.235 10.528 -3.419) 21.332 4.895 ( 5.148 2.972 0.196) 5.948 5.131 ( -5.872 -3.390 6.166) 9.165 6.054 ( -6.223 -3.593 -6.021) 9.375 7.186 ( 9.026 5.211 8.099) 13.199 7.576 ( -1.491 -0.861 -1.427) 2.236 8.091 ( -4.618 -2.666 -3.988) 6.659 8.184 ( -0.037 -0.021 -2.103) 2.103 8.913 ( -5.624 -3.247 17.499) 18.665 9.054 ( 0.274 0.158 -18.548) 18.551 12.776 ( 16.920 9.769 1.810) 19.621 13.202 ( 13.258 7.655 24.397) 28.803 14.571 ( -11.043 -6.376 -17.871) 21.954 14.907 ( -13.371 -7.720 9.558) 18.158 17.328 ( 0.182 0.105 -5.109) 5.114 17.383 ( -1.238 -0.715 -2.383) 2.779 ======================= Grid point 139 (41/146) ======================= q-point: ( 0.45 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 24.994 14.430 -9.713) 30.451 2.152 ( 5.185 2.994 8.123) 10.091 2.251 ( 3.041 1.756 14.274) 14.699 3.045 ( -1.455 -0.840 1.143) 2.032 3.297 ( -5.414 -3.126 -0.076) 6.252 3.418 ( -1.235 -0.713 7.410) 7.546 3.584 ( -4.790 -2.766 -4.474) 7.114 3.798 ( -7.870 -4.544 -6.380) 11.104 4.905 ( 10.535 6.083 7.770) 14.435 4.959 ( 0.882 0.509 -3.051) 3.216 5.130 ( 6.307 3.641 -4.378) 8.497 5.871 ( -6.465 -3.733 -5.180) 9.086 7.414 ( 8.868 5.120 -6.535) 12.147 7.579 ( 1.448 0.836 9.476) 9.623 7.760 ( -11.462 -6.618 -17.181) 21.688 8.322 ( 0.613 0.354 14.886) 14.903 8.916 ( -2.994 -1.729 -14.811) 15.209 8.928 ( -2.178 -1.257 18.858) 19.025 13.198 ( 19.106 11.031 1.174) 22.093 13.661 ( 13.578 7.839 23.987) 28.656 14.172 ( -13.229 -7.638 -21.161) 26.098 14.628 ( -16.871 -9.740 11.303) 22.522 17.312 ( 1.238 0.715 -5.354) 5.542 17.337 ( -0.823 -0.475 -4.363) 4.465 ======================= Grid point 140 (42/146) ======================= q-point: ( 0.55 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -3.699 -2.136 -2.975) 5.205 2.299 ( 16.904 9.760 -5.957) 20.408 2.308 ( 2.262 1.306 2.708) 3.763 2.906 ( -12.630 -7.292 5.219) 15.490 3.229 ( 0.255 0.147 -1.389) 1.420 3.405 ( -3.377 -1.950 5.073) 6.399 3.574 ( 4.370 2.523 -1.269) 5.203 3.616 ( -4.458 -2.574 -3.326) 6.129 4.898 ( -3.310 -1.911 -5.761) 6.914 5.053 ( 0.665 0.384 6.468) 6.514 5.388 ( 15.814 9.130 -4.461) 18.798 5.699 ( -6.827 -3.941 -2.629) 8.309 7.405 ( -9.566 -5.523 -18.301) 21.375 7.496 ( 7.316 4.224 -16.801) 18.805 7.776 ( 6.696 3.866 15.179) 17.035 8.341 ( -8.315 -4.800 20.178) 22.346 8.746 ( -4.635 -2.676 -10.630) 11.901 9.069 ( 4.153 2.398 17.301) 17.953 13.636 ( 15.736 9.085 -0.915) 18.194 13.723 ( -11.194 -6.463 -20.611) 24.329 14.104 ( 12.573 7.259 21.646) 26.064 14.286 ( -19.619 -11.327 12.521) 25.884 17.294 ( 0.072 0.042 -6.513) 6.513 17.316 ( 1.819 1.050 -4.669) 5.120 ======================= Grid point 141 (43/146) ======================= q-point: (-0.36 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -9.109 -5.259 -11.408) 15.516 2.116 ( -11.628 -6.713 -7.270) 15.269 2.598 ( -17.496 -10.101 8.862) 22.061 2.746 ( 18.619 10.750 -3.586) 21.796 3.246 ( 0.985 0.569 -0.926) 1.467 3.341 ( -3.057 -1.765 1.386) 3.792 3.586 ( 1.533 0.885 3.196) 3.653 3.694 ( 6.005 3.467 -2.339) 7.318 4.778 ( -3.163 -1.826 -5.379) 6.501 5.062 ( -1.816 -1.049 0.467) 2.148 5.505 ( -9.937 -5.737 -0.403) 11.482 5.709 ( 13.344 7.704 -0.416) 15.414 7.117 ( -5.682 -3.280 -17.473) 18.664 7.584 ( 10.242 5.913 -18.291) 21.781 8.014 ( 6.673 3.853 9.787) 12.456 8.229 ( -12.246 -7.070 21.204) 25.487 8.594 ( -4.010 -2.315 -4.203) 6.253 9.293 ( 5.728 3.307 15.964) 17.280 13.231 ( -14.532 -8.390 -23.878) 29.184 13.887 ( -22.137 -12.781 13.264) 28.798 14.079 ( 17.375 10.031 3.498) 20.365 14.504 ( 11.159 6.442 18.016) 22.149 17.261 ( 1.212 0.700 -8.691) 8.803 17.335 ( 2.091 1.207 -3.648) 4.375 ======================= Grid point 142 (44/146) ======================= q-point: (-0.27 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -12.496 -7.215 -16.498) 21.918 1.721 ( -16.432 -9.487 -14.403) 23.822 2.239 ( -20.035 -11.567 12.867) 26.472 3.035 ( 5.268 3.041 2.103) 6.436 3.246 ( -0.639 -0.369 0.347) 0.815 3.364 ( 6.527 3.768 0.213) 7.539 3.696 ( 6.048 3.492 2.847) 7.541 3.785 ( 3.944 2.277 -5.611) 7.226 4.719 ( 0.819 0.473 -4.901) 4.991 4.975 ( -5.099 -2.944 -2.554) 6.418 5.242 ( -13.251 -7.650 2.479) 15.500 5.977 ( 10.100 5.831 0.663) 11.682 6.927 ( -2.751 -1.588 -13.923) 14.281 7.721 ( 10.805 6.238 -16.680) 20.830 8.072 ( -12.280 -7.090 18.854) 23.591 8.158 ( 3.947 2.279 -3.809) 5.940 8.562 ( 1.045 0.603 7.718) 7.812 9.506 ( 4.540 2.621 13.877) 14.835 12.772 ( -12.919 -7.459 -21.930) 26.523 13.453 ( -23.295 -13.449 13.536) 30.112 14.471 ( 14.484 8.363 5.676) 17.662 14.832 ( 8.952 5.168 13.659) 17.129 17.241 ( 2.314 1.336 -10.794) 11.120 17.363 ( 2.058 1.188 -2.591) 3.516 ======================= Grid point 143 (45/146) ======================= q-point: (-0.18 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -15.564 -8.986 -19.142) 26.256 1.224 ( -18.240 -10.531 -16.637) 26.840 1.851 ( -22.547 -13.018 17.216) 31.213 3.078 ( -0.258 -0.149 3.375) 3.388 3.240 ( -0.506 -0.292 3.789) 3.834 3.555 ( 5.861 3.384 4.697) 8.238 3.803 ( 1.279 0.738 -7.394) 7.540 3.889 ( 10.592 6.116 -2.032) 12.399 4.692 ( -0.794 -0.459 -14.970) 14.998 4.815 ( -6.836 -3.947 -3.330) 8.568 5.015 ( -7.972 -4.603 14.255) 16.969 6.173 ( 6.907 3.988 0.157) 7.977 6.795 ( -3.408 -1.968 -7.925) 8.849 7.817 ( 3.627 2.094 -8.665) 9.624 7.923 ( -9.580 -5.531 13.926) 17.785 8.216 ( 8.603 4.967 -15.293) 18.236 8.700 ( 4.320 2.494 11.590) 12.618 9.662 ( 2.481 1.432 9.708) 10.122 12.391 ( -9.592 -5.538 -17.035) 20.319 13.012 ( -22.669 -13.088 13.423) 29.417 14.800 ( 10.714 6.186 7.951) 14.706 15.077 ( 6.390 3.689 8.959) 11.606 17.231 ( 3.206 1.851 -12.334) 12.878 17.393 ( 1.746 1.008 -1.610) 2.580 ======================= Grid point 144 (46/146) ======================= q-point: (-0.09 0.09 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -17.842 -10.301 -13.399) 24.575 0.720 ( -17.541 -10.127 -17.112) 26.516 1.432 ( -25.079 -14.479 21.973) 36.351 3.117 ( 2.167 1.251 3.344) 4.177 3.282 ( 0.882 0.509 7.106) 7.179 3.634 ( -1.635 -0.944 4.692) 5.058 3.751 ( -1.576 -0.910 -8.013) 8.217 4.123 ( 10.803 6.237 -3.689) 13.008 4.492 ( -5.493 -3.172 -14.803) 16.105 4.653 ( -5.301 -3.061 -2.095) 6.470 5.089 ( 3.218 1.858 19.422) 19.774 6.294 ( 4.064 2.346 -0.887) 4.776 6.663 ( -5.813 -3.356 -0.512) 6.732 7.789 ( -1.812 -1.046 -3.108) 3.747 7.819 ( -5.603 -3.235 7.833) 10.160 8.371 ( 12.785 7.382 -16.297) 21.990 8.860 ( 3.942 2.276 7.714) 8.957 9.723 ( -0.615 -0.355 -0.006) 0.710 12.141 ( -4.918 -2.839 -9.204) 10.815 12.610 ( -19.626 -11.331 12.973) 26.113 15.051 ( 6.477 3.740 9.274) 11.914 15.232 ( 3.616 2.088 4.174) 5.903 17.238 ( 4.215 2.434 -10.792) 11.839 17.420 ( 1.244 0.718 -0.734) 1.613 ======================= Grid point 147 (47/146) ======================= q-point: ( 0.18 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 -4.413 25.249) 25.632 0.773 ( -0.000 -7.790 28.996) 30.024 1.512 ( -0.000 25.043 27.378) 37.104 3.257 ( 0.000 4.395 -5.068) 6.708 3.278 ( -0.000 -2.191 3.070) 3.772 3.571 ( -0.000 7.552 1.005) 7.618 3.572 ( -0.000 5.399 2.882) 6.120 4.254 ( 0.000 -11.839 -4.809) 12.778 4.419 ( -0.000 -5.328 3.852) 6.575 4.540 ( 0.000 4.293 -0.205) 4.298 5.770 ( -0.000 -19.033 3.218) 19.303 6.293 ( 0.000 -2.425 -4.317) 4.952 6.829 ( -0.000 -5.699 17.843) 18.731 7.708 ( 0.000 0.515 -1.282) 1.382 7.828 ( -0.000 8.565 4.688) 9.764 8.332 ( 0.000 -17.591 -12.556) 21.612 8.964 ( 0.000 1.840 -1.524) 2.389 9.103 ( 0.000 29.345 -15.834) 33.345 12.166 ( -0.000 -6.254 10.492) 12.214 12.599 ( -0.000 18.858 18.989) 26.762 15.143 ( 0.000 1.805 -9.407) 9.579 15.234 ( 0.000 2.119 -5.605) 5.992 17.410 ( -0.000 -18.278 2.540) 18.453 17.440 ( -0.000 -1.494 0.028) 1.495 ======================= Grid point 148 (48/146) ======================= q-point: ( 0.27 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 1.803 5.224 13.525) 14.611 1.202 ( 22.345 -6.838 25.774) 34.790 1.910 ( 0.980 20.925 23.060) 31.154 3.153 ( -8.234 4.585 -3.341) 10.000 3.304 ( 1.436 -1.822 5.576) 6.039 3.601 ( -3.650 4.354 3.583) 6.717 3.866 ( 18.684 8.079 -4.713) 20.894 4.050 ( -3.542 -14.426 -6.458) 16.198 4.303 ( -7.273 -4.431 2.202) 8.797 4.662 ( 7.094 2.679 1.266) 7.688 5.518 ( -11.993 -10.707 5.741) 17.071 6.210 ( -2.597 -3.800 -5.582) 7.235 6.905 ( 4.823 -4.696 11.942) 13.709 7.671 ( -3.140 0.479 -0.805) 3.277 7.981 ( 1.677 9.545 4.827) 10.827 8.186 ( 8.967 -17.290 -10.869) 22.305 8.949 ( -2.540 1.702 -1.408) 3.366 9.234 ( -4.207 21.292 -11.059) 24.359 12.255 ( 9.712 -5.071 9.455) 14.472 12.957 ( 3.026 21.754 21.724) 30.892 14.980 ( -11.768 3.412 -14.199) 18.754 15.209 ( -3.081 -1.634 0.719) 3.561 17.261 ( 2.967 -15.838 -0.818) 16.134 17.412 ( -0.478 -2.655 -0.906) 2.845 ======================= Grid point 149 (49/146) ======================= q-point: ( 0.36 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 17.735 12.341 -1.581) 21.664 1.664 ( 20.703 -5.175 22.149) 30.757 2.223 ( -0.217 14.826 17.579) 22.997 3.076 ( -3.709 3.637 -2.002) 5.567 3.345 ( 1.456 -2.942 4.235) 5.358 3.571 ( -6.759 4.040 4.742) 9.192 3.762 ( -3.938 -16.467 -9.676) 19.502 4.108 ( -6.629 -0.256 -7.563) 10.060 4.302 ( 17.950 5.819 4.703) 19.447 4.812 ( 6.845 1.583 -0.043) 7.026 5.283 ( -10.408 -4.084 5.169) 12.318 6.065 ( -4.660 -4.685 -6.741) 9.440 7.043 ( 10.383 -5.922 5.728) 13.255 7.621 ( -2.523 0.077 0.284) 2.540 7.945 ( 2.955 -18.320 -10.423) 21.284 8.268 ( 0.523 15.615 5.862) 16.687 8.904 ( -2.190 -0.799 0.670) 2.426 9.254 ( -8.721 15.067 -3.477) 17.753 12.505 ( 17.797 -3.337 7.677) 19.668 13.383 ( 4.581 22.715 22.880) 32.565 14.663 ( -16.025 1.107 -17.467) 23.730 15.094 ( -9.186 -4.965 6.706) 12.410 17.192 ( 5.934 -10.510 -5.198) 13.142 17.361 ( -0.582 -3.606 -2.707) 4.547 ======================= Grid point 150 (50/146) ======================= q-point: ( 0.45 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 23.423 13.638 -7.441) 28.107 2.052 ( 14.009 -2.484 16.388) 21.703 2.389 ( -3.294 5.908 9.938) 12.022 3.053 ( -0.630 0.395 -2.213) 2.334 3.319 ( -2.041 -4.557 0.730) 5.046 3.503 ( -2.220 -12.368 -3.238) 12.976 3.545 ( -4.132 2.687 3.415) 5.997 3.904 ( -10.532 -0.541 -5.301) 11.803 4.724 ( 19.730 6.933 3.147) 21.148 4.903 ( 3.782 -0.211 -3.122) 4.909 5.154 ( -5.366 0.078 2.403) 5.880 5.892 ( -5.115 -4.377 -6.597) 9.426 7.187 ( 11.533 -6.153 -2.883) 13.386 7.592 ( 0.650 -4.588 -2.961) 5.499 7.727 ( -3.187 -9.665 -3.432) 10.740 8.417 ( -2.667 7.845 3.679) 9.066 8.917 ( -0.268 6.282 5.632) 8.441 9.200 ( -11.348 8.847 4.717) 15.143 12.873 ( 22.894 -2.177 6.542) 23.910 13.829 ( 5.005 22.162 22.009) 31.633 14.253 ( -17.723 -1.887 -19.506) 26.423 14.888 ( -14.256 -6.728 9.972) 18.653 17.181 ( 6.634 -6.242 -6.962) 11.465 17.292 ( -0.085 -4.128 -5.139) 6.592 ======================= Grid point 151 (51/146) ======================= q-point: ( 0.55 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 24.756 12.483 -8.465) 28.989 2.219 ( -3.130 -1.533 0.287) 3.497 2.361 ( -2.181 -4.535 5.244) 7.268 2.998 ( -3.709 -7.207 2.307) 8.427 3.218 ( -1.246 -3.199 -1.787) 3.871 3.457 ( 3.602 -1.304 -0.130) 3.833 3.516 ( -3.612 0.857 2.376) 4.408 3.707 ( -8.795 0.094 -0.800) 8.832 4.873 ( -0.831 -3.634 -5.434) 6.590 5.103 ( 0.797 0.977 9.395) 9.479 5.161 ( 15.785 8.365 -6.861) 19.137 5.735 ( -4.614 -3.482 -4.727) 7.468 7.237 ( 5.205 -6.879 -12.395) 15.101 7.422 ( -2.180 -2.845 -14.567) 15.002 7.764 ( 5.514 -1.476 13.450) 14.611 8.375 ( -2.860 -7.873 2.887) 8.860 9.003 ( -13.451 16.947 1.947) 21.724 9.182 ( -0.019 3.456 17.097) 17.443 13.305 ( 25.005 -1.844 6.323) 25.858 13.778 ( -17.928 -4.673 -20.959) 27.974 14.265 ( 4.334 21.120 19.896) 29.338 14.605 ( -18.530 -7.725 11.816) 23.295 17.202 ( 6.222 -3.193 -6.746) 9.717 17.218 ( 1.058 -4.066 -7.811) 8.869 ======================= Grid point 152 (52/146) ======================= q-point: (-0.36 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -9.413 -13.654 -12.430) 20.725 2.267 ( -9.725 0.779 -2.584) 10.092 2.449 ( 22.141 9.337 -6.009) 24.769 2.816 ( -10.300 -8.281 7.483) 15.188 3.220 ( 1.828 0.493 -1.212) 2.248 3.404 ( -5.404 -1.478 0.751) 5.653 3.580 ( 5.985 1.390 -2.121) 6.500 3.637 ( -1.643 1.047 5.602) 5.931 4.761 ( -2.336 -4.289 -5.485) 7.344 5.102 ( -2.490 2.022 -0.899) 3.331 5.514 ( 13.903 4.217 -0.554) 14.539 5.598 ( -3.988 -1.877 -1.422) 4.631 7.063 ( -4.266 -4.663 -14.909) 16.194 7.405 ( 6.141 6.416 -15.740) 18.072 7.960 ( 8.354 -1.262 11.235) 14.058 8.253 ( -0.330 -15.613 7.525) 17.335 8.859 ( -17.784 7.585 6.280) 20.328 9.396 ( 2.547 9.288 14.853) 17.702 13.285 ( -17.558 -5.316 -21.158) 28.003 13.760 ( 24.883 -2.300 7.053) 25.965 14.252 ( -22.105 -8.667 12.935) 27.038 14.646 ( 3.419 18.684 16.670) 25.272 17.153 ( 2.448 -3.323 -10.395) 11.184 17.244 ( 5.438 -1.024 -5.546) 7.834 ======================= Grid point 153 (53/146) ======================= q-point: (-0.27 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -10.154 -18.249 -14.590) 25.476 1.997 ( -18.727 4.483 -10.994) 22.174 2.506 ( -14.092 -10.478 9.620) 20.023 2.919 ( 15.830 9.080 -0.799) 18.267 3.233 ( 0.873 -1.758 0.312) 1.987 3.330 ( -1.496 -0.276 0.384) 1.569 3.655 ( 4.054 0.692 -0.669) 4.167 3.714 ( 3.515 2.356 2.314) 4.823 4.674 ( -0.181 -2.117 -4.703) 5.161 5.040 ( -5.290 1.091 -3.066) 6.211 5.386 ( -10.075 -5.513 -0.138) 11.486 5.836 ( 12.819 4.773 0.437) 13.686 6.890 ( -3.316 0.776 -12.669) 13.119 7.515 ( 9.174 9.080 -16.145) 20.671 8.049 ( 1.125 -6.031 -1.300) 6.272 8.250 ( 5.348 -9.238 18.666) 21.502 8.666 ( -13.406 0.349 8.138) 15.686 9.597 ( 1.471 7.384 11.348) 13.618 12.824 ( -15.941 -3.901 -18.992) 25.100 13.845 ( -24.640 -9.415 13.506) 29.634 14.193 ( 23.042 -3.259 8.408) 24.743 14.951 ( 2.220 14.748 12.282) 19.320 17.109 ( 3.670 -1.497 -12.368) 12.988 17.295 ( 4.413 0.362 -4.086) 6.025 ======================= Grid point 154 (54/146) ======================= q-point: (-0.18 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -11.810 -15.483 -11.035) 22.383 1.605 ( -24.098 7.514 -15.687) 29.719 2.188 ( -18.848 -11.084 14.435) 26.200 3.119 ( -0.125 1.524 4.363) 4.623 3.232 ( 1.024 -3.756 2.784) 4.786 3.446 ( 12.588 3.997 -0.689) 13.225 3.722 ( 5.355 0.943 -6.806) 8.711 3.815 ( 2.784 3.578 4.561) 6.431 4.631 ( -0.531 0.797 -9.287) 9.336 4.910 ( -8.283 0.611 -4.000) 9.219 5.169 ( -8.903 -6.045 6.904) 12.786 6.064 ( 9.628 2.868 -0.728) 10.073 6.800 ( -2.576 3.217 -7.838) 8.856 7.662 ( 7.646 5.317 -10.230) 13.835 8.010 ( 4.954 -2.281 -6.042) 8.140 8.263 ( -12.905 1.122 10.974) 16.977 8.617 ( 6.855 -8.918 11.812) 16.311 9.720 ( 0.289 2.910 6.126) 6.788 12.450 ( -12.952 -0.237 -14.055) 19.114 13.406 ( -25.605 -9.807 14.052) 30.810 14.578 ( 19.904 -4.538 9.555) 22.540 15.157 ( 1.267 8.605 6.677) 10.965 17.099 ( 4.227 2.075 -12.771) 13.611 17.347 ( 3.309 1.026 -2.676) 4.378 ======================= Grid point 155 (55/146) ======================= q-point: (-0.09 0.18 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -13.269 -0.912 2.597) 13.552 1.144 ( -27.419 9.443 -16.757) 33.493 1.835 ( -21.724 -11.715 19.228) 31.287 3.135 ( -0.535 0.207 4.902) 4.936 3.237 ( 2.576 -6.071 2.900) 7.204 3.615 ( 3.383 -2.658 0.438) 4.325 3.803 ( 2.533 6.037 0.713) 6.586 3.960 ( 9.214 4.981 -1.795) 10.626 4.511 ( -6.796 3.715 -15.464) 17.295 4.741 ( -8.362 0.117 -1.611) 8.516 5.121 ( 2.103 -5.348 14.332) 15.441 6.212 ( 6.595 1.158 -1.997) 6.987 6.748 ( -4.527 3.396 -0.831) 5.720 7.708 ( 1.926 -3.647 -1.130) 4.277 8.071 ( -14.158 -0.560 6.554) 15.611 8.149 ( 12.183 11.666 -14.158) 22.022 8.761 ( 9.561 -8.170 10.381) 16.307 9.725 ( -1.805 -2.980 -2.473) 4.273 12.219 ( -9.055 5.088 -6.768) 12.397 12.972 ( -24.163 -9.654 14.627) 29.850 14.893 ( 15.662 -5.599 9.955) 19.384 15.238 ( 0.978 -0.108 -0.524) 1.115 17.146 ( 4.384 7.529 -9.622) 12.980 17.392 ( 2.266 1.041 -1.442) 2.881 ======================= Grid point 159 (56/146) ======================= q-point: ( 0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.000 -1.481 22.693) 22.742 0.989 ( -0.000 -4.729 24.792) 25.239 2.231 ( -0.000 18.177 19.032) 26.318 3.298 ( 0.000 6.900 -6.828) 9.707 3.304 ( -0.000 0.540 3.378) 3.421 3.688 ( 0.000 0.594 -6.442) 6.470 3.726 ( -0.000 4.148 6.925) 8.072 3.881 ( 0.000 -14.261 -3.375) 14.655 4.325 ( -0.000 -7.567 2.165) 7.871 4.633 ( -0.000 4.496 0.809) 4.568 5.546 ( -0.000 -9.129 3.311) 9.711 6.152 ( 0.000 -5.089 -6.413) 8.187 6.853 ( -0.000 -9.372 8.702) 12.789 7.647 ( 0.000 -10.345 -6.378) 12.153 7.844 ( 0.000 -7.479 -8.856) 11.592 8.222 ( -0.000 19.030 12.948) 23.017 8.995 ( 0.000 2.288 -0.704) 2.394 9.409 ( 0.000 20.102 -10.473) 22.667 12.174 ( -0.000 -6.513 10.850) 12.655 13.306 ( -0.000 25.216 22.679) 33.914 15.077 ( 0.000 5.625 -13.432) 14.562 15.205 ( 0.000 2.123 -5.579) 5.969 17.028 ( -0.000 -22.697 1.668) 22.758 17.372 ( 0.000 -4.718 -1.732) 5.026 ======================= Grid point 160 (57/146) ======================= q-point: ( 0.36 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 1.209 4.993 11.960) 13.017 1.394 ( 20.828 -5.816 24.415) 32.615 2.482 ( -1.728 13.571 14.085) 19.636 3.199 ( -8.403 3.804 -6.550) 11.313 3.346 ( -0.046 0.816 2.700) 2.820 3.518 ( 0.980 -19.469 -14.836) 24.497 3.760 ( -4.994 2.434 8.344) 10.025 4.004 ( 13.975 5.452 -0.699) 15.017 4.232 ( -2.320 -5.625 3.684) 7.113 4.725 ( 4.730 2.714 -0.140) 5.455 5.424 ( -7.280 -4.663 2.989) 9.148 6.033 ( -2.505 -5.643 -7.144) 9.442 6.848 ( 6.006 -10.589 5.354) 13.299 7.485 ( 5.009 -17.115 -9.740) 20.320 7.785 ( -1.785 0.607 -2.355) 3.017 8.505 ( -0.359 20.336 10.971) 23.109 8.980 ( -3.248 2.002 0.858) 3.911 9.499 ( -4.728 16.933 -5.747) 18.496 12.268 ( 10.379 -6.018 10.251) 15.781 13.717 ( 1.660 25.888 22.782) 34.525 14.880 ( -16.130 6.511 -17.879) 24.944 15.190 ( -2.574 -1.076 0.658) 2.867 16.888 ( 8.156 -19.758 -1.102) 21.404 17.299 ( -0.212 -6.465 -3.380) 7.298 ======================= Grid point 161 (58/146) ======================= q-point: ( 0.45 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 14.989 10.279 -0.558) 18.184 1.839 ( 20.170 -5.174 21.560) 29.974 2.570 ( -6.862 3.164 4.207) 8.648 3.027 ( -2.151 -7.265 -8.967) 11.739 3.313 ( -0.930 -5.426 -6.524) 8.537 3.349 ( -0.297 -2.263 0.211) 2.292 3.728 ( -6.585 0.968 9.185) 11.343 4.031 ( -7.183 0.822 -4.748) 8.650 4.456 ( 20.038 3.275 5.470) 21.028 4.809 ( 4.064 -0.196 -2.848) 4.966 5.283 ( -7.408 -0.678 2.636) 7.892 5.880 ( -3.838 -4.753 -6.968) 9.267 6.911 ( 10.279 -10.041 1.597) 14.458 7.361 ( 5.871 -15.518 -9.478) 19.108 7.749 ( -2.854 0.790 2.559) 3.914 8.626 ( -9.202 11.664 -3.394) 15.240 9.043 ( 2.265 8.074 12.912) 15.396 9.509 ( -9.658 13.565 0.032) 16.652 12.524 ( 18.649 -5.135 9.097) 21.375 14.138 ( 1.903 24.279 20.676) 31.947 14.487 ( -21.386 4.511 -18.986) 28.951 15.087 ( -9.025 -4.344 6.833) 12.125 16.886 ( 11.880 -12.813 -4.978) 18.169 17.200 ( 0.093 -7.482 -5.642) 9.372 ======================= Grid point 162 (59/146) ======================= q-point: ( 0.55 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 21.686 10.947 -6.774) 25.219 2.202 ( 9.669 -2.800 12.244) 15.851 2.337 ( -6.175 -13.839 -7.446) 16.885 2.953 ( 0.831 -5.172 1.082) 5.349 3.206 ( -3.194 -0.266 -5.385) 6.267 3.366 ( 3.366 0.807 -1.739) 3.873 3.676 ( -7.341 0.415 8.164) 10.987 3.869 ( -9.602 0.336 -0.122) 9.608 4.790 ( 3.100 -3.559 -4.038) 6.212 4.888 ( 18.411 4.688 -0.408) 19.003 5.208 ( -4.433 2.184 3.347) 5.969 5.737 ( -3.511 -3.243 -5.583) 7.350 6.995 ( 9.101 -6.968 -3.786) 12.071 7.259 ( 4.352 -10.300 -8.689) 14.161 7.757 ( 0.833 -1.095 7.759) 7.880 8.465 ( -11.631 2.644 -6.899) 13.779 9.289 ( 3.918 8.033 15.132) 17.575 9.440 ( -14.483 12.751 4.162) 19.740 12.897 ( 23.789 -4.618 8.333) 25.625 13.986 ( -22.986 1.208 -19.408) 30.108 14.550 ( 2.006 22.098 18.181) 28.686 14.889 ( -14.335 -5.913 10.080) 18.495 16.958 ( 11.631 -6.775 -6.315) 14.868 17.092 ( 1.054 -7.334 -7.994) 10.899 ======================= Grid point 163 (60/146) ======================= q-point: (-0.36 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -7.341 -15.621 -14.504) 22.545 2.101 ( 21.393 8.119 -7.747) 24.158 2.407 ( -1.186 1.135 6.057) 6.275 2.870 ( -3.336 -8.722 3.789) 10.077 3.193 ( 1.872 3.651 -2.898) 5.024 3.436 ( 4.769 1.665 -4.790) 6.962 3.560 ( -9.257 -1.345 4.308) 10.299 3.759 ( -5.477 -0.508 7.366) 9.193 4.711 ( -1.248 -4.665 -4.996) 6.948 5.151 ( 1.314 5.857 -8.691) 10.562 5.300 ( 13.663 1.865 8.358) 16.125 5.627 ( -3.194 -2.304 -3.105) 5.015 6.987 ( 0.172 -2.968 -8.374) 8.886 7.247 ( 7.809 -0.820 -9.460) 12.294 7.862 ( 7.165 -4.221 11.867) 14.491 8.240 ( -9.359 -3.378 -4.659) 10.987 9.262 ( -15.979 2.064 8.721) 18.321 9.543 ( 1.077 11.616 10.468) 15.674 13.326 ( 24.538 -4.581 7.449) 26.050 13.486 ( -21.041 0.297 -17.750) 27.530 14.605 ( -18.859 -6.894 11.711) 23.245 14.887 ( 1.592 17.422 14.115) 22.478 17.001 ( 2.470 -5.424 -9.667) 11.356 17.060 ( 9.851 -2.440 -5.727) 11.653 ======================= Grid point 164 (61/146) ======================= q-point: (-0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -10.384 -12.419 -10.289) 19.181 2.281 ( -14.681 4.866 -4.963) 16.243 2.493 ( 14.553 1.778 -4.399) 15.307 2.790 ( 2.025 -2.965 4.689) 5.906 3.236 ( -0.946 2.600 -0.254) 2.778 3.385 ( -5.230 -1.989 1.825) 5.886 3.546 ( 5.209 0.177 -5.448) 7.540 3.752 ( -0.569 -0.947 10.008) 10.069 4.632 ( -0.651 -1.982 -3.203) 3.823 5.122 ( -3.859 3.660 -5.401) 7.581 5.461 ( -3.628 -2.634 -2.079) 4.942 5.658 ( 11.978 2.304 2.567) 12.464 6.897 ( -3.063 2.541 -8.191) 9.106 7.361 ( 9.374 7.490 -12.670) 17.450 8.001 ( -1.455 -3.405 -0.603) 3.751 8.091 ( 7.756 -10.914 12.790) 18.516 9.024 ( -18.991 -0.823 9.404) 21.208 9.700 ( 0.991 5.110 6.612) 8.415 13.016 ( -20.296 2.174 -15.316) 25.519 13.780 ( 25.704 -5.123 8.244) 27.475 14.253 ( -22.710 -7.812 12.846) 27.236 15.118 ( 1.133 10.016 7.851) 12.777 16.959 ( 3.733 -1.024 -9.719) 10.462 17.169 ( 7.649 0.382 -4.415) 8.840 ======================= Grid point 165 (62/146) ======================= q-point: (-0.18 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -11.885 -0.261 0.018) 11.888 1.982 ( -20.955 8.020 -11.243) 25.096 2.429 ( -11.416 -8.997 8.535) 16.856 3.047 ( 16.459 3.249 -1.053) 16.809 3.211 ( -2.289 -0.514 2.638) 3.530 3.334 ( 0.025 -0.109 0.494) 0.507 3.589 ( 5.281 -0.463 -6.667) 8.518 3.839 ( 3.184 -0.023 9.315) 9.844 4.606 ( -0.303 1.930 -3.979) 4.432 5.033 ( -6.436 2.749 -4.419) 8.277 5.299 ( -9.324 -3.349 0.443) 9.917 5.897 ( 11.698 1.334 -0.408) 11.781 6.852 ( -2.552 6.899 -5.303) 9.068 7.542 ( 9.106 11.753 -12.418) 19.371 7.880 ( -0.035 -6.085 -4.048) 7.309 8.304 ( 12.949 -9.020 16.401) 22.760 8.728 ( -19.097 -4.413 9.050) 21.589 9.752 ( 0.037 -1.553 1.200) 1.963 12.660 ( -16.818 6.565 -10.081) 20.678 13.839 ( -25.064 -8.405 13.353) 29.617 14.208 ( 23.563 -5.914 8.917) 25.878 15.209 ( 0.844 0.099 -0.060) 0.852 16.995 ( 4.408 5.477 -7.734) 10.452 17.268 ( 5.413 1.778 -3.088) 6.480 ======================= Grid point 166 (63/146) ======================= q-point: (-0.09 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -11.425 14.631 12.932) 22.624 1.601 ( -25.263 11.054 -13.886) 30.874 2.164 ( -16.460 -9.637 14.335) 23.860 3.149 ( 0.380 -5.663 1.598) 5.896 3.211 ( -1.440 1.230 4.196) 4.604 3.471 ( 10.861 -1.080 -0.460) 10.924 3.668 ( 9.859 2.768 -6.734) 12.256 3.952 ( 3.292 0.143 8.406) 9.029 4.582 ( -4.058 7.091 -9.207) 12.309 4.904 ( -9.269 3.269 -2.968) 10.267 5.143 ( -4.576 -5.437 6.322) 9.511 6.069 ( 8.960 -0.145 -2.692) 9.356 6.870 ( -2.995 8.910 0.144) 9.401 7.659 ( 0.818 1.366 -2.689) 3.125 7.924 ( 12.164 6.844 -13.510) 19.425 8.410 ( -17.874 -1.803 8.924) 20.060 8.541 ( 13.002 -11.309 13.835) 22.099 9.678 ( -1.789 -8.092 -5.553) 9.976 12.460 ( -12.555 12.482 -3.556) 18.057 13.404 ( -25.914 -8.854 14.794) 31.126 14.578 ( 20.488 -6.537 8.318) 23.058 15.154 ( 0.920 -8.710 -7.273) 11.384 17.115 ( 4.649 10.701 -4.908) 12.658 17.347 ( 3.488 1.888 -2.013) 4.448 ======================= Grid point 171 (64/146) ======================= q-point: ( 0.36 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.000 -3.964 20.301) 20.685 1.192 ( -0.000 -2.142 21.054) 21.163 2.707 ( -0.000 12.071 10.741) 16.158 3.113 ( 0.000 -24.739 -22.220) 33.253 3.345 ( 0.000 6.330 -6.794) 9.286 3.390 ( -0.000 1.568 3.031) 3.413 3.869 ( -0.000 -1.929 8.284) 8.506 3.912 ( -0.000 3.202 5.169) 6.081 4.216 ( -0.000 -3.396 1.211) 3.605 4.715 ( 0.000 2.706 -0.104) 2.708 5.463 ( -0.000 -3.063 1.787) 3.546 5.952 ( 0.000 -5.539 -7.229) 9.107 6.715 ( -0.000 -12.132 4.917) 13.090 7.209 ( 0.000 -15.844 -8.397) 17.932 7.821 ( 0.000 3.893 -2.029) 4.390 8.785 ( -0.000 19.138 12.098) 22.641 9.024 ( 0.000 1.639 -1.093) 1.970 9.675 ( 0.000 17.371 -4.527) 17.951 12.181 ( -0.000 -6.655 10.984) 12.842 14.101 ( -0.000 25.850 22.058) 33.982 15.020 ( 0.000 8.273 -17.682) 19.521 15.182 ( 0.000 2.547 -5.284) 5.866 16.593 ( -0.000 -23.960 3.807) 24.261 17.201 ( 0.000 -8.775 -4.512) 9.867 ======================= Grid point 172 (65/146) ======================= q-point: ( 0.45 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 1.165 2.839 9.646) 10.122 1.564 ( 19.880 -7.089 22.266) 30.680 2.634 ( -7.327 -19.937 -16.882) 27.133 2.901 ( 2.062 2.584 2.042) 3.886 3.308 ( -3.896 3.859 -4.330) 6.987 3.411 ( -2.891 3.245 0.334) 4.359 3.839 ( -2.369 -5.923 6.082) 8.814 4.078 ( 4.951 5.380 -2.791) 7.826 4.241 ( 7.119 -1.037 8.473) 11.115 4.744 ( 1.644 -0.006 -1.637) 2.320 5.404 ( -5.206 -0.365 1.589) 5.455 5.844 ( -2.061 -3.850 -6.544) 7.867 6.679 ( 6.249 -11.387 3.836) 13.543 7.069 ( 4.858 -12.982 -6.165) 15.171 7.827 ( -2.454 3.314 -0.291) 4.134 8.878 ( -10.322 8.618 -3.601) 13.921 9.128 ( 5.414 7.721 9.800) 13.600 9.781 ( -5.109 16.072 -0.606) 16.875 12.276 ( 10.567 -6.350 10.426) 16.146 14.482 ( 0.259 23.243 19.115) 30.095 14.787 ( -19.119 8.547 -20.194) 29.092 15.184 ( -2.019 -0.432 0.743) 2.195 16.506 ( 11.772 -18.428 2.062) 21.964 17.075 ( 0.110 -9.864 -5.888) 11.488 ======================= Grid point 173 (66/146) ======================= q-point: ( 0.55 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 13.325 6.986 -1.520) 15.122 1.976 ( 20.783 -7.680 19.484) 29.505 2.188 ( -6.320 -21.457 -18.069) 28.755 2.958 ( -1.677 2.676 3.686) 4.854 3.261 ( -3.999 3.726 -4.582) 7.132 3.359 ( -3.095 1.662 -2.664) 4.409 3.796 ( -1.499 -3.802 6.806) 7.939 4.038 ( -8.954 2.292 -0.605) 9.262 4.559 ( 19.633 1.355 3.397) 19.970 4.736 ( 1.044 -2.485 -3.205) 4.188 5.333 ( -5.070 2.372 2.653) 6.195 5.730 ( -3.189 -2.317 -5.423) 6.704 6.749 ( 10.476 -7.846 2.250) 13.280 7.019 ( 5.910 -9.916 -4.538) 12.403 7.810 ( -2.580 1.316 2.630) 3.912 8.687 ( -14.239 5.397 -8.570) 17.473 9.350 ( 4.975 4.117 10.208) 12.079 9.805 ( -9.892 13.586 2.525) 16.995 12.533 ( 18.886 -5.790 9.392) 21.872 14.319 ( -25.353 6.355 -19.693) 32.726 14.833 ( 0.948 18.605 14.876) 23.840 15.094 ( -8.785 -3.789 7.094) 11.910 16.614 ( 15.608 -9.398 -1.937) 18.322 16.948 ( 0.773 -8.800 -6.795) 11.145 ======================= Grid point 174 (67/146) ======================= q-point: ( 0.64 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 12.224 1.694 -7.872) 14.638 1.832 ( 1.377 -7.285 -11.622) 13.786 2.333 ( 15.333 -6.186 14.451) 21.958 2.906 ( -7.044 -2.148 -0.175) 7.367 3.207 ( -1.465 4.749 -3.318) 5.976 3.357 ( 2.478 2.143 -4.297) 5.403 3.761 ( -7.500 -0.804 6.203) 9.766 3.872 ( -7.912 -3.181 2.154) 8.796 4.672 ( -1.113 -2.022 -1.761) 2.903 4.931 ( 18.434 2.816 -5.331) 19.395 5.320 ( -2.091 2.495 6.085) 6.901 5.633 ( -2.619 -1.284 -3.583) 4.620 6.881 ( 7.890 -1.144 -0.625) 7.997 7.019 ( 7.687 -6.538 -3.476) 10.673 7.817 ( 1.081 -1.873 6.145) 6.514 8.418 ( -15.305 3.449 -9.375) 18.276 9.465 ( -1.409 -2.004 9.350) 9.666 9.763 ( -8.996 9.589 2.561) 13.395 12.903 ( 23.977 -5.492 8.568) 26.048 13.818 ( -26.001 5.863 -17.364) 31.811 14.896 ( -14.245 -5.487 10.200) 18.359 15.081 ( 0.864 10.544 8.637) 13.657 16.798 ( 14.264 -2.684 -3.294) 14.883 16.861 ( 1.969 -4.524 -6.142) 7.878 ======================= Grid point 175 (68/146) ======================= q-point: (-0.27 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -8.370 0.056 -1.425) 8.490 2.140 ( 22.627 5.779 -9.024) 25.036 2.499 ( -2.370 0.707 4.772) 5.375 2.741 ( -2.733 -6.345 -0.766) 6.950 3.260 ( 2.340 4.215 -0.192) 4.824 3.414 ( 4.040 3.371 -5.965) 7.954 3.569 ( -13.205 -2.838 4.442) 14.218 3.788 ( -1.125 -6.214 5.052) 8.087 4.639 ( -1.717 1.234 1.461) 2.570 5.113 ( 5.030 3.351 -12.268) 13.676 5.424 ( 6.059 0.843 7.591) 9.749 5.575 ( -0.513 -0.594 -0.833) 1.144 6.932 ( -0.866 3.893 -2.225) 4.567 7.155 ( 13.177 1.291 -5.405) 14.300 7.899 ( 7.199 -5.940 9.974) 13.660 8.137 ( -13.282 0.864 -7.844) 15.450 9.354 ( -14.110 -3.636 9.275) 17.273 9.742 ( -1.064 0.432 -0.233) 1.172 13.316 ( 12.701 -2.155 3.093) 13.248 13.373 ( -10.492 4.496 -8.390) 14.166 14.617 ( -19.210 -6.888 11.957) 23.653 15.178 ( 0.966 -0.003 0.050) 0.967 16.862 ( 3.136 2.585 -3.708) 5.502 16.992 ( 11.250 1.467 -3.051) 11.748 ======================= Grid point 176 (69/146) ======================= q-point: (-0.18 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -10.051 12.951 8.946) 18.676 2.325 ( -16.221 6.020 -5.323) 18.102 2.431 ( 7.820 -1.721 -4.722) 9.296 2.774 ( 12.367 -2.933 1.453) 12.793 3.319 ( -3.110 4.147 1.877) 5.513 3.372 ( -6.064 -2.252 3.114) 7.179 3.466 ( 3.215 -0.126 -6.415) 7.177 3.788 ( 5.085 -6.322 6.098) 10.150 4.654 ( -2.068 4.495 3.407) 6.007 5.090 ( -1.345 1.644 -8.385) 8.650 5.429 ( -7.322 1.744 -1.411) 7.658 5.700 ( 11.686 -0.985 2.038) 11.903 6.952 ( -2.217 8.665 -0.707) 8.972 7.386 ( 13.298 8.926 -9.628) 18.687 7.889 ( -8.981 -1.635 -5.472) 10.643 8.075 ( 12.193 -9.605 13.055) 20.282 9.077 ( -19.160 -5.161 9.286) 21.908 9.695 ( 0.492 -7.531 -3.934) 8.511 13.012 ( -19.901 12.014 -7.711) 24.492 13.770 ( 25.633 -5.668 7.178) 27.215 14.263 ( -22.864 -7.814 13.366) 27.613 15.119 ( 1.145 -9.890 -7.726) 12.602 16.966 ( 3.918 8.799 -1.482) 9.745 17.162 ( 7.815 3.378 -2.536) 8.883 ======================= Grid point 177 (70/146) ======================= q-point: (-0.09 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -9.861 19.298 14.960) 26.334 2.033 ( -21.356 10.382 -9.505) 25.577 2.359 ( -7.672 -7.624 6.195) 12.464 3.016 ( 12.719 -2.912 -0.899) 13.079 3.285 ( -2.998 1.040 4.159) 5.231 3.328 ( 1.660 -0.244 -0.582) 1.776 3.515 ( 5.960 0.909 -4.414) 7.472 3.879 ( 7.062 -5.218 4.273) 9.765 4.688 ( -3.124 6.982 2.826) 8.154 5.022 ( -3.428 1.619 -4.628) 5.983 5.272 ( -10.799 1.539 -1.924) 11.077 5.880 ( 10.303 -1.565 -1.700) 10.559 7.027 ( -2.057 12.317 2.872) 12.814 7.649 ( 9.910 12.527 -10.289) 19.000 7.727 ( -0.619 -2.566 -6.807) 7.301 8.279 ( 13.204 -12.775 13.697) 22.916 8.757 ( -18.378 -4.160 10.704) 21.671 9.554 ( -0.793 -13.021 -8.088) 15.349 12.829 ( -15.042 17.388 -1.846) 23.065 13.848 ( -24.801 -8.208 14.408) 29.834 14.186 ( 23.091 -6.085 6.185) 24.667 14.952 ( 1.821 -15.395 -11.559) 19.337 17.129 ( 4.140 10.911 -1.242) 11.736 17.288 ( 4.754 3.317 -2.259) 6.221 ======================= Grid point 183 (71/146) ======================= q-point: ( 0.45 0.45 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.000 -5.299 15.761) 16.628 1.370 ( -0.000 -5.502 18.619) 19.415 2.306 ( 0.000 -25.174 -20.928) 32.737 3.008 ( -0.000 9.266 4.989) 10.524 3.377 ( 0.000 4.340 -5.023) 6.638 3.478 ( -0.000 4.372 0.172) 4.376 3.786 ( -0.000 -9.749 0.364) 9.755 4.022 ( -0.000 2.032 3.212) 3.801 4.273 ( -0.000 1.606 6.594) 6.786 4.721 ( 0.000 -1.214 -0.899) 1.511 5.457 ( -0.000 0.568 0.713) 0.911 5.800 ( 0.000 -1.229 -5.357) 5.496 6.535 ( -0.000 -11.342 4.451) 12.184 6.888 ( 0.000 -9.271 -3.331) 9.851 7.880 ( 0.000 3.543 -0.652) 3.602 9.030 ( 0.000 1.043 -2.240) 2.471 9.181 ( -0.000 10.609 3.315) 11.115 9.977 ( 0.000 14.835 -0.245) 14.837 12.185 ( -0.000 -6.794 10.795) 12.755 14.803 ( -0.000 19.191 15.817) 24.869 14.958 ( 0.000 10.808 -21.999) 24.510 15.173 ( 0.000 3.036 -4.944) 5.801 16.234 ( -0.000 -20.479 10.761) 23.135 16.937 ( 0.000 -10.199 -5.493) 11.585 ======================= Grid point 184 (72/146) ======================= q-point: ( 0.55 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 1.682 -0.530 6.275) 6.519 1.653 ( 19.132 -10.345 18.932) 28.836 1.963 ( -2.496 -15.552 -14.095) 21.137 3.081 ( -4.037 6.062 2.968) 7.865 3.333 ( -3.407 2.666 -3.068) 5.304 3.458 ( -6.758 2.661 -3.198) 7.936 3.735 ( 4.410 -6.507 0.970) 7.921 4.140 ( 3.724 3.273 -3.366) 5.993 4.333 ( 5.751 -1.915 9.008) 10.858 4.701 ( -0.100 -1.693 -0.268) 1.717 5.440 ( -3.190 1.756 1.128) 3.812 5.742 ( -2.977 0.263 -4.271) 5.213 6.529 ( 7.620 -8.459 4.347) 12.187 6.836 ( 3.882 -5.905 -1.088) 7.150 7.886 ( -2.581 2.209 0.662) 3.461 8.910 ( -11.228 3.580 -6.340) 13.382 9.336 ( 5.533 3.412 3.150) 7.224 10.056 ( -5.009 10.127 -0.869) 11.332 12.277 ( 10.636 -6.582 10.143) 16.103 14.691 ( -22.127 10.532 -21.165) 32.381 15.046 ( 0.589 11.139 8.652) 14.116 15.191 ( -1.437 0.141 0.774) 1.639 16.263 ( 13.739 -12.049 8.228) 20.040 16.823 ( 0.434 -6.985 -3.568) 7.856 ======================= Grid point 185 (73/146) ======================= q-point: ( 0.64 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 12.795 3.423 -3.640) 13.736 1.771 ( -3.866 -0.356 -3.155) 5.003 2.009 ( 21.352 -11.232 15.589) 28.725 3.025 ( -6.976 -0.106 0.440) 6.990 3.298 ( -5.028 4.780 -3.263) 7.667 3.341 ( -1.982 1.203 -3.247) 3.990 3.767 ( 3.230 -4.590 0.464) 5.632 4.052 ( -10.919 -0.271 -0.437) 10.931 4.595 ( 18.721 -0.454 0.154) 18.727 4.691 ( -0.741 0.340 2.374) 2.511 5.412 ( -2.891 0.880 2.452) 3.891 5.665 ( -3.725 1.393 -2.564) 4.732 6.669 ( 12.651 -4.230 3.252) 13.730 6.874 ( 4.656 -1.634 0.802) 4.999 7.854 ( -2.958 -0.293 2.597) 3.948 8.669 ( -15.495 4.857 -9.925) 19.031 9.451 ( 4.444 -2.589 4.374) 6.752 9.991 ( -9.107 3.482 -2.614) 10.094 12.531 ( 18.941 -6.112 8.993) 21.841 14.243 ( -26.672 10.359 -17.857) 33.728 15.099 ( -7.764 -3.222 6.688) 10.742 15.152 ( -0.175 -0.655 0.435) 0.806 16.500 ( 16.826 -2.446 2.941) 17.256 16.789 ( 1.222 -0.048 0.018) 1.223 ======================= Grid point 186 (74/146) ======================= q-point: (-0.27 -0.55 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 8.608 8.789 0.119) 12.302 1.793 ( 5.397 9.790 -1.933) 11.345 2.321 ( 17.573 -10.736 10.443) 23.089 2.855 ( -10.646 -0.410 -3.671) 11.268 3.268 ( -0.320 2.884 0.328) 2.920 3.361 ( 2.414 3.125 -3.460) 5.250 3.727 ( 0.152 -8.159 -2.359) 8.494 3.826 ( -14.599 -0.424 1.980) 14.738 4.721 ( -1.095 3.344 6.369) 7.277 4.875 ( 15.208 0.964 -8.581) 17.488 5.407 ( 1.331 -2.336 5.599) 6.211 5.620 ( -3.452 3.414 -1.007) 4.959 6.896 ( 14.808 -0.638 0.292) 14.825 6.965 ( 2.704 4.869 3.049) 6.350 7.831 ( 0.508 -3.882 5.016) 6.363 8.372 ( -16.821 4.886 -11.066) 20.719 9.479 ( 0.142 -6.893 5.853) 9.044 9.795 ( -10.164 -3.715 -5.385) 12.087 12.895 ( 23.967 -5.738 7.817) 25.854 13.802 ( -25.783 11.912 -13.216) 31.326 14.913 ( -14.458 -5.872 10.597) 18.863 15.079 ( 1.116 -10.891 -8.467) 13.840 16.787 ( 14.382 3.286 0.571) 14.764 16.862 ( 2.084 6.738 2.795) 7.586 ======================= Grid point 187 (75/146) ======================= q-point: (-0.18 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -8.744 19.515 12.880) 24.963 2.097 ( 20.912 2.594 -10.924) 23.735 2.517 ( 10.194 -7.908 6.799) 14.584 2.642 ( -11.066 2.845 -6.128) 12.966 3.326 ( 2.854 0.329 3.295) 4.371 3.411 ( 1.157 2.894 -5.361) 6.201 3.588 ( -11.633 -0.489 3.604) 12.188 3.643 ( 1.486 -8.084 -1.997) 8.459 4.788 ( -2.178 5.286 9.115) 10.760 4.992 ( 6.121 0.557 -12.203) 13.663 5.507 ( 7.928 -2.750 6.265) 10.472 5.581 ( -4.614 3.860 -1.861) 6.296 7.074 ( 1.067 8.440 5.097) 9.918 7.171 ( 13.713 6.782 -4.699) 16.004 7.877 ( 6.958 -8.235 9.010) 14.051 8.074 ( -14.916 4.127 -10.517) 18.712 9.362 ( -12.343 -7.292 9.383) 17.133 9.551 ( -2.162 -12.085 -9.668) 15.627 13.312 ( 25.562 -5.287 6.486) 26.897 13.460 ( -21.454 14.976 -7.838) 27.312 14.632 ( -19.341 -7.172 12.672) 24.210 14.890 ( 1.825 -17.676 -13.395) 22.254 17.008 ( 2.770 9.924 2.892) 10.701 17.042 ( 10.157 5.647 -0.714) 11.643 ======================= Grid point 188 (76/146) ======================= q-point: (-0.09 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -9.141 17.011 12.923) 23.237 2.298 ( 7.476 -4.021 -4.486) 9.601 2.410 ( -15.939 9.550 -7.435) 20.013 2.721 ( 16.162 -4.697 2.756) 17.055 3.337 ( -3.775 -0.710 -3.029) 4.892 3.377 ( -0.895 -4.593 4.325) 6.372 3.477 ( -3.738 6.778 -0.190) 7.743 3.684 ( 9.504 -6.486 -0.233) 11.509 4.851 ( -3.493 5.439 9.359) 11.374 4.994 ( 2.504 -0.126 -8.513) 8.875 5.475 ( -10.115 5.738 -3.719) 12.209 5.677 ( 10.424 -3.307 1.329) 11.016 7.218 ( -1.501 14.289 6.635) 15.826 7.438 ( 14.227 7.644 -10.078) 19.037 7.821 ( -10.916 3.261 -8.543) 14.240 8.025 ( 12.144 -10.793 12.170) 20.299 9.079 ( -17.569 -6.562 10.614) 21.549 9.351 ( 0.909 -16.669 -9.782) 19.349 13.271 ( -16.489 19.561 -1.965) 25.659 13.734 ( 25.172 -5.005 3.409) 25.890 14.281 ( -22.803 -8.067 14.616) 28.261 14.653 ( 3.206 -20.319 -13.689) 24.708 17.169 ( 2.952 9.604 0.911) 10.089 17.225 ( 5.907 5.247 -1.967) 8.142 ======================= Grid point 195 (77/146) ======================= q-point: ( 0.55 0.55 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.000 -7.958 11.485) 13.973 1.429 ( -0.000 -9.871 14.937) 17.904 1.846 ( 0.000 -0.084 -3.260) 3.261 3.204 ( -0.000 6.150 0.895) 6.215 3.359 ( 0.000 -2.481 -3.150) 4.010 3.540 ( 0.000 2.021 -1.520) 2.529 3.614 ( 0.000 -2.677 -3.395) 4.323 4.044 ( 0.000 -0.776 -2.457) 2.576 4.360 ( -0.000 -2.180 7.387) 7.702 4.696 ( -0.000 -0.381 2.051) 2.086 5.483 ( -0.000 0.853 0.217) 0.881 5.764 ( 0.000 2.428 -3.293) 4.092 6.412 ( -0.000 -6.557 5.080) 8.294 6.766 ( -0.000 -1.970 1.890) 2.730 7.934 ( -0.000 1.686 0.737) 1.840 9.011 ( 0.000 1.035 -3.877) 4.012 9.305 ( 0.000 2.519 -3.219) 4.088 10.155 ( 0.000 4.674 -4.771) 6.679 12.182 ( -0.000 -6.938 10.293) 12.413 14.914 ( 0.000 13.740 -22.871) 26.681 15.114 ( 0.000 0.720 -0.825) 1.095 15.181 ( 0.000 2.294 -4.264) 4.842 16.094 ( -0.000 -12.183 18.887) 22.475 16.770 ( -0.000 -1.188 1.623) 2.011 ======================= Grid point 196 (78/146) ======================= q-point: (-0.36 -0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 2.657 -4.279 2.433) 5.594 1.627 ( 18.170 -13.693 15.191) 27.357 1.926 ( -2.105 15.938 7.873) 17.901 3.131 ( -7.433 -4.093 -2.042) 8.727 3.327 ( 0.113 1.780 -2.266) 2.884 3.465 ( -7.774 2.655 -2.850) 8.695 3.642 ( 4.704 -2.331 -2.769) 5.936 4.101 ( 5.552 0.263 -7.466) 9.308 4.376 ( 3.376 -4.523 8.347) 10.076 4.727 ( 0.592 1.711 4.661) 5.001 5.463 ( -2.438 -1.042 0.224) 2.661 5.744 ( -3.241 3.636 -1.660) 5.146 6.472 ( 8.208 -2.760 4.704) 9.854 6.820 ( 3.702 2.279 4.316) 6.126 7.923 ( -3.096 -0.041 1.698) 3.531 8.887 ( -11.126 3.306 -7.919) 14.051 9.338 ( 5.241 -3.922 -2.626) 7.053 10.092 ( -4.836 -1.098 -7.098) 8.659 12.270 ( 10.635 -6.692 9.519) 15.764 14.672 ( -22.315 13.391 -19.264) 32.379 15.046 ( 0.682 -11.185 -9.028) 14.390 15.196 ( -0.867 0.038 0.260) 0.906 16.254 ( 13.434 -3.224 14.358) 19.925 16.821 ( 0.506 5.237 5.801) 7.832 ======================= Grid point 197 (79/146) ======================= q-point: (-0.27 -0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 14.120 0.146 -7.189) 15.845 1.912 ( 19.896 -13.143 12.232) 26.800 2.140 ( -4.472 22.366 12.928) 26.218 2.950 ( -5.700 -4.619 -3.390) 8.082 3.335 ( 0.985 1.106 -2.586) 2.980 3.353 ( -5.848 2.084 -0.197) 6.211 3.626 ( 0.290 -4.612 -5.753) 7.379 4.033 ( -8.240 0.578 -3.102) 8.823 4.552 ( 15.326 -2.710 -0.103) 15.565 4.809 ( 1.538 3.285 7.566) 8.391 5.397 ( -1.856 -4.124 1.328) 4.714 5.727 ( -3.601 5.593 0.273) 6.658 6.667 ( 12.517 0.513 3.289) 12.952 6.982 ( 5.417 7.318 6.674) 11.289 7.858 ( -4.064 -2.704 2.614) 5.537 8.636 ( -15.717 5.416 -11.543) 20.239 9.340 ( 5.196 -10.981 -3.045) 12.524 9.896 ( -9.297 -5.265 -5.513) 12.023 12.517 ( 18.857 -6.086 8.068) 21.394 14.282 ( -25.267 13.884 -14.778) 32.397 14.835 ( 1.229 -18.797 -14.708) 23.899 15.119 ( -8.488 -3.895 7.324) 11.868 16.591 ( 15.539 4.711 7.350) 17.824 16.945 ( 1.016 8.629 6.610) 10.917 ======================= Grid point 198 (80/146) ======================= q-point: (-0.18 -0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 20.996 2.202 -12.255) 24.411 2.179 ( 17.060 -10.641 9.241) 22.129 2.301 ( -7.816 15.148 9.323) 19.429 2.818 ( -6.810 3.283 -2.972) 8.123 3.322 ( -0.377 -0.718 3.951) 4.033 3.366 ( 4.466 0.638 -2.701) 5.258 3.510 ( -2.736 -5.216 -6.420) 8.713 3.852 ( -12.164 2.078 -0.839) 12.369 4.755 ( 11.833 -0.623 -6.747) 13.635 4.920 ( 0.822 3.480 8.317) 9.054 5.377 ( 4.390 -6.200 4.177) 8.669 5.720 ( -4.957 6.583 0.260) 8.245 6.935 ( 14.411 3.932 1.133) 14.980 7.213 ( 3.920 12.697 8.173) 15.600 7.789 ( -0.422 -6.143 4.180) 7.442 8.332 ( -17.227 6.043 -12.837) 22.318 9.252 ( 4.322 -16.755 -7.392) 18.816 9.627 ( -13.034 -7.008 1.477) 14.873 12.872 ( 23.715 -5.373 6.010) 25.048 13.939 ( -22.449 15.802 -9.458) 29.036 14.557 ( 2.316 -22.711 -16.790) 28.338 14.931 ( -14.473 -6.134 11.161) 19.278 16.925 ( 11.953 7.939 2.790) 14.618 17.092 ( 1.478 9.131 4.903) 10.469 ======================= Grid point 207 (81/146) ======================= q-point: (-0.36 -0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -0.000 -11.198 8.272) 13.922 1.360 ( -0.000 -13.681 11.458) 17.846 2.232 ( -0.000 26.394 14.217) 29.980 3.091 ( 0.000 -11.717 -6.155) 13.236 3.358 ( 0.000 4.780 -1.883) 5.137 3.498 ( 0.000 -3.060 -3.672) 4.780 3.617 ( 0.000 4.592 -2.893) 5.427 3.950 ( 0.000 -1.988 -6.170) 6.482 4.377 ( -0.000 -5.367 8.038) 9.665 4.767 ( -0.000 1.510 5.274) 5.486 5.471 ( 0.000 -2.107 -0.640) 2.202 5.803 ( 0.000 4.773 -1.067) 4.891 6.422 ( -0.000 0.717 5.680) 5.725 6.861 ( -0.000 5.956 6.894) 9.110 7.961 ( -0.000 -0.797 2.172) 2.314 8.977 ( 0.000 1.609 -5.714) 5.936 9.190 ( 0.000 -6.991 -9.547) 11.833 10.054 ( 0.000 -3.833 -9.241) 10.004 12.170 ( -0.000 -6.919 9.654) 11.877 14.802 ( 0.000 -19.764 -15.026) 24.827 14.932 ( 0.000 14.828 -19.895) 24.813 15.169 ( 0.000 3.327 -5.075) 6.069 16.222 ( -0.000 -2.213 23.232) 23.337 16.930 ( -0.000 8.007 8.145) 11.422 ======================= Grid point 208 (82/146) ======================= q-point: (-0.27 -0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 3.691 -7.677 -0.657) 8.543 1.504 ( 18.133 -16.306 12.920) 27.597 2.560 ( -5.234 25.865 13.201) 29.506 2.914 ( -0.781 -8.596 -5.809) 10.404 3.339 ( -3.038 0.921 -2.711) 4.175 3.424 ( -2.373 -3.350 -3.306) 5.271 3.604 ( -2.897 3.185 -3.702) 5.678 4.002 ( 7.640 0.603 -8.637) 11.546 4.383 ( 2.735 -5.517 9.630) 11.430 4.831 ( 2.578 0.173 5.862) 6.406 5.406 ( -3.146 -3.824 -1.067) 5.066 5.841 ( -2.015 6.896 0.960) 7.248 6.541 ( 7.074 3.143 5.106) 9.273 7.028 ( 4.382 10.146 9.226) 14.396 7.925 ( -4.143 -2.415 2.661) 5.484 8.843 ( -10.633 3.585 -10.657) 15.475 9.084 ( 4.808 -14.115 -9.779) 17.832 9.922 ( -4.106 -4.823 -6.539) 9.104 12.254 ( 10.525 -6.503 8.771) 15.165 14.481 ( 0.154 -23.545 -17.975) 29.622 14.739 ( -19.587 13.616 -16.906) 29.239 15.204 ( -0.408 0.318 0.362) 0.631 16.475 ( 11.306 4.561 17.361) 21.214 17.064 ( 0.311 8.370 7.478) 11.228 ======================= Grid point 209 (83/146) ======================= q-point: (-0.18 -0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 15.914 -2.013 -10.311) 19.069 1.763 ( 20.998 -15.812 11.436) 28.666 2.554 ( -6.939 -4.071 -3.496) 8.772 2.976 ( -3.035 16.733 5.866) 17.989 3.281 ( 0.735 -1.604 -4.107) 4.470 3.347 ( -1.638 -2.250 -0.050) 2.784 3.540 ( -4.676 2.250 -2.507) 5.763 3.997 ( -3.845 2.133 -6.704) 8.017 4.521 ( 11.102 -2.284 4.128) 12.063 4.929 ( 4.870 -1.280 6.176) 7.969 5.305 ( -1.617 -6.075 -0.118) 6.287 5.876 ( -3.951 8.008 2.025) 9.156 6.768 ( 11.430 4.598 3.362) 12.771 7.313 ( 6.731 14.570 11.270) 19.611 7.817 ( -5.836 -4.195 2.527) 7.619 8.594 ( -15.259 6.118 -13.451) 21.242 8.929 ( 4.857 -19.624 -11.346) 23.183 9.750 ( -7.737 -5.772 0.656) 9.675 12.494 ( 18.470 -5.578 6.598) 20.391 14.142 ( 1.825 -24.897 -17.957) 30.752 14.423 ( -20.914 13.862 -12.779) 28.157 15.135 ( -8.230 -3.826 7.395) 11.707 16.837 ( 12.078 9.146 8.543) 17.393 17.190 ( 0.520 7.429 5.207) 9.087 ======================= Grid point 219 (84/146) ======================= q-point: (-0.27 -0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.000 -14.499 7.275) 16.222 1.191 ( -0.000 -16.605 9.653) 19.207 2.714 ( 0.000 -15.741 -11.179) 19.307 2.984 ( -0.000 28.307 11.499) 30.554 3.358 ( 0.000 -3.995 -4.077) 5.708 3.397 ( 0.000 2.603 -4.176) 4.921 3.666 ( 0.000 3.155 -1.845) 3.655 3.849 ( 0.000 -0.978 -4.895) 4.992 4.378 ( -0.000 -5.582 10.264) 11.683 4.820 ( -0.000 -3.143 4.244) 5.281 5.389 ( 0.000 -3.290 -3.672) 4.930 5.944 ( -0.000 8.453 2.333) 8.769 6.554 ( -0.000 4.478 5.523) 7.110 7.168 ( -0.000 13.329 11.610) 17.677 7.961 ( -0.000 -2.698 3.748) 4.619 8.778 ( 0.000 -16.940 -16.812) 23.867 8.934 ( 0.000 2.356 -7.327) 7.696 9.872 ( 0.000 -3.733 -5.966) 7.038 12.154 ( -0.000 -6.597 9.165) 11.293 14.102 ( 0.000 -27.101 -19.654) 33.477 14.980 ( 0.000 12.736 -16.278) 20.668 15.178 ( 0.000 3.786 -4.666) 6.009 16.548 ( -0.000 5.129 22.489) 23.067 17.183 ( -0.000 7.099 6.450) 9.591 ======================= Grid point 220 (85/146) ======================= q-point: (-0.18 -0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 4.757 -10.265 -2.385) 11.562 1.326 ( 19.234 -18.134 13.345) 29.612 2.449 ( -2.076 -17.152 -13.064) 21.660 3.211 ( 0.257 5.728 -3.738) 6.845 3.294 ( -7.477 1.149 -1.791) 7.774 3.390 ( -1.182 12.882 4.058) 13.557 3.638 ( -3.829 2.378 0.644) 4.553 3.925 ( 7.670 1.744 -6.978) 10.515 4.419 ( 3.764 -4.471 12.181) 13.511 4.838 ( 4.330 -5.194 3.468) 7.600 5.292 ( -3.681 -3.691 -5.543) 7.609 6.028 ( -2.228 8.610 3.000) 9.385 6.684 ( 6.239 4.068 4.313) 8.607 7.434 ( 4.719 15.743 12.623) 20.723 7.908 ( -5.446 -2.448 4.214) 7.308 8.542 ( 5.077 -17.117 -16.424) 24.259 8.818 ( -10.333 2.169 -9.030) 13.893 9.787 ( -2.743 -3.947 -1.411) 5.009 12.236 ( 10.145 -5.971 8.027) 14.248 13.724 ( 1.920 -27.796 -19.100) 33.781 14.812 ( -17.281 12.898 -14.056) 25.740 15.218 ( -0.348 0.549 0.522) 0.833 16.820 ( 8.187 8.358 15.665) 19.552 17.280 ( 0.056 5.534 4.431) 7.090 ======================= Grid point 231 (86/146) ======================= q-point: (-0.18 -0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.000 -17.574 9.819) 20.131 0.961 ( -0.000 -18.894 9.951) 21.355 2.175 ( 0.000 -21.656 -17.023) 27.546 3.169 ( 0.000 -1.168 -6.167) 6.277 3.357 ( 0.000 0.920 -7.022) 7.082 3.615 ( -0.000 15.708 0.274) 15.710 3.702 ( -0.000 0.201 2.746) 2.754 3.823 ( -0.000 4.221 3.439) 5.445 4.420 ( -0.000 -4.826 12.710) 13.595 4.757 ( -0.000 -6.771 2.629) 7.263 5.257 ( 0.000 -0.911 -10.739) 10.778 6.148 ( -0.000 7.772 2.767) 8.250 6.686 ( -0.000 1.678 3.658) 4.024 7.625 ( -0.000 13.868 11.869) 18.254 7.989 ( -0.000 1.180 8.610) 8.690 8.209 ( 0.000 -16.767 -16.289) 23.377 8.889 ( 0.000 3.090 -8.211) 8.773 9.764 ( 0.000 -2.614 -1.665) 3.099 12.143 ( -0.000 -6.081 9.016) 10.875 13.313 ( 0.000 -27.602 -18.461) 33.206 15.020 ( 0.000 10.084 -13.156) 16.576 15.201 ( 0.000 4.187 -4.257) 5.972 16.933 ( -0.000 7.209 17.868) 19.268 17.349 ( -0.000 3.831 3.055) 4.900 ======================= Grid point 268 (87/146) ======================= q-point: ( 0.18 0.18 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 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.000 0.000 26.757) 26.757 1.034 ( -0.000 0.000 26.757) 26.757 1.356 ( -0.000 0.000 34.875) 34.875 3.241 ( 0.000 -0.000 -3.931) 3.931 3.241 ( 0.000 -0.000 -3.931) 3.931 3.527 ( -0.000 0.000 6.616) 6.616 3.527 ( -0.000 0.000 6.616) 6.616 4.378 ( 0.000 -0.000 -8.824) 8.824 4.478 ( -0.000 0.000 3.062) 3.062 4.478 ( -0.000 0.000 3.062) 3.062 5.968 ( 0.000 -0.000 -8.219) 8.219 6.290 ( 0.000 -0.000 -4.691) 4.691 7.080 ( -0.000 0.000 18.848) 18.848 7.725 ( 0.000 0.000 0.307) 0.307 7.725 ( -0.000 -0.000 0.307) 0.307 8.550 ( 0.000 -0.000 -8.267) 8.267 8.550 ( 0.000 -0.000 -8.267) 8.267 8.904 ( 0.000 -0.000 -5.442) 5.442 12.423 ( -0.000 0.000 17.887) 17.887 12.423 ( -0.000 0.000 17.887) 17.887 15.110 ( 0.000 -0.000 -10.240) 10.240 15.110 ( 0.000 -0.000 -10.240) 10.240 17.457 ( -0.000 0.000 0.625) 0.625 17.615 ( 0.000 -0.000 -0.976) 0.976 ======================= Grid point 269 (88/146) ======================= q-point: ( 0.27 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -12.701 -7.333 27.037) 30.759 1.435 ( 11.474 6.625 23.783) 27.224 1.741 ( 10.164 5.868 29.850) 32.074 3.102 ( -4.133 -2.386 -3.960) 6.201 3.333 ( 3.513 2.028 -0.681) 4.113 3.578 ( -0.686 -0.396 5.813) 5.866 3.693 ( 12.116 6.995 2.166) 14.157 4.203 ( -7.875 -4.546 -8.832) 12.676 4.394 ( -6.558 -3.786 3.366) 8.287 4.612 ( 6.534 3.773 1.053) 7.618 5.745 ( -13.872 -8.009 -0.869) 16.042 6.228 ( -2.708 -1.563 -5.729) 6.526 7.085 ( -4.388 -2.534 17.348) 18.073 7.679 ( -2.304 -1.330 1.109) 2.882 7.841 ( 6.641 3.834 3.272) 8.338 8.486 ( -6.735 -3.889 -10.253) 12.869 8.609 ( 12.348 7.129 -17.414) 22.507 8.976 ( 6.592 3.806 -0.662) 7.640 12.417 ( -0.664 -0.383 15.535) 15.554 12.786 ( 11.517 6.649 22.539) 26.170 14.894 ( -7.570 -4.370 -14.547) 16.971 15.177 ( 4.385 2.532 -6.875) 8.538 17.445 ( -1.348 -0.778 0.115) 1.560 17.483 ( -8.445 -4.876 -0.203) 9.753 ======================= Grid point 270 (89/146) ======================= q-point: ( 0.36 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.923 2.265 14.695) 15.378 1.832 ( 11.155 6.440 19.610) 23.462 2.118 ( 7.790 4.498 24.211) 25.828 3.023 ( -0.871 -0.503 -2.893) 3.062 3.409 ( 3.060 1.767 1.651) 3.900 3.546 ( -4.571 -2.639 3.281) 6.215 3.945 ( -9.525 -5.500 -8.772) 14.069 3.978 ( 8.758 5.056 -6.911) 12.248 4.297 ( -0.255 -0.147 7.647) 7.652 4.764 ( 6.328 3.654 -0.377) 7.317 5.437 ( -12.988 -7.498 4.084) 15.543 6.097 ( -5.112 -2.951 -7.168) 9.286 7.143 ( 1.578 0.911 7.719) 7.931 7.647 ( -1.665 -0.961 4.587) 4.974 8.060 ( 9.445 5.453 7.285) 13.115 8.199 ( -11.140 -6.432 -13.708) 18.799 8.733 ( 7.676 4.432 -17.443) 19.566 9.116 ( 3.384 1.954 7.123) 8.124 12.583 ( 7.306 4.218 12.765) 15.301 13.213 ( 12.812 7.397 24.559) 28.670 14.587 ( -10.307 -5.951 -18.388) 21.904 15.184 ( -2.287 -1.320 0.232) 2.651 17.308 ( -5.342 -3.084 -3.262) 6.978 17.397 ( -2.414 -1.394 -1.683) 3.256 ======================= Grid point 271 (90/146) ======================= q-point: ( 0.45 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 17.425 10.060 0.601) 20.130 2.152 ( 6.858 3.960 13.354) 15.526 2.380 ( 3.379 1.951 17.753) 18.176 3.017 ( 1.466 0.847 -2.449) 2.978 3.438 ( -5.166 -2.983 1.486) 6.148 3.479 ( 2.179 1.258 0.069) 2.517 3.681 ( -9.351 -5.399 -6.401) 12.552 3.893 ( -7.231 -4.175 -5.186) 9.829 4.577 ( 16.134 9.315 4.451) 19.154 4.874 ( 3.719 2.147 -2.582) 5.011 5.228 ( -7.845 -4.529 4.969) 10.332 5.922 ( -5.784 -3.340 -7.812) 10.279 7.209 ( 2.598 1.500 -4.015) 5.012 7.684 ( 1.152 0.665 10.273) 10.359 7.830 ( -12.831 -7.408 -15.804) 21.663 8.340 ( 9.548 5.513 10.822) 15.449 8.748 ( 2.472 1.427 -13.072) 13.380 9.212 ( -0.578 -0.334 13.970) 13.986 12.894 ( 13.332 7.697 10.801) 18.806 13.661 ( 13.014 7.514 24.257) 28.534 14.201 ( -12.679 -7.320 -21.521) 26.028 15.074 ( -9.380 -5.415 7.242) 13.029 17.207 ( -0.837 -0.483 -7.026) 7.093 17.317 ( -2.779 -1.604 -4.636) 5.638 ======================= Grid point 272 (91/146) ======================= q-point: ( 0.55 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 23.201 13.395 -6.473) 27.561 2.255 ( -2.757 -1.592 2.329) 3.944 2.468 ( -3.411 -1.969 7.810) 8.748 3.045 ( 1.612 0.931 -0.628) 1.964 3.356 ( -6.512 -3.759 6.123) 9.697 3.478 ( -1.882 -1.086 -6.812) 7.150 3.486 ( -0.665 -0.384 -3.715) 3.794 3.719 ( -6.113 -3.529 2.549) 7.504 4.885 ( -0.798 -0.461 -4.798) 4.886 4.957 ( 14.732 8.506 -4.500) 17.596 5.155 ( -0.807 -0.466 9.231) 9.277 5.757 ( -4.461 -2.576 -6.725) 8.471 7.213 ( 2.448 1.413 -10.762) 11.127 7.436 ( -12.535 -7.237 -17.092) 22.398 7.819 ( 4.305 2.486 10.948) 12.024 8.592 ( 4.896 2.827 13.910) 15.015 8.699 ( -0.853 -0.493 -7.287) 7.353 9.283 ( -1.378 -0.796 18.346) 18.415 13.304 ( 16.617 9.594 10.135) 21.699 13.752 ( -14.187 -8.191 -23.381) 28.549 14.095 ( 12.244 7.069 22.076) 26.216 14.855 ( -15.050 -8.689 12.102) 21.177 17.175 ( 2.193 1.266 -8.648) 9.011 17.218 ( -2.229 -1.287 -8.356) 8.743 ======================= Grid point 273 (92/146) ======================= q-point: (-0.36 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -9.860 -5.693 -7.978) 13.903 2.148 ( 23.123 13.350 -8.638) 28.062 2.310 ( -9.818 -5.668 -4.909) 12.354 3.013 ( -8.801 -5.081 6.245) 11.928 3.236 ( -1.702 -0.983 1.613) 2.542 3.429 ( -2.532 -1.462 -1.156) 3.144 3.526 ( 5.582 3.223 -3.205) 7.198 3.657 ( -2.404 -1.388 7.073) 7.598 4.794 ( -3.675 -2.122 -5.541) 6.979 5.052 ( 1.254 0.724 -6.455) 6.616 5.406 ( 13.126 7.578 6.525) 16.502 5.629 ( -4.311 -2.489 -4.513) 6.719 7.071 ( -9.606 -5.546 -16.980) 20.282 7.212 ( 4.617 2.666 -13.471) 14.488 7.984 ( 4.836 2.792 5.861) 8.095 8.640 ( -1.803 -1.041 0.269) 2.099 8.696 ( -4.644 -2.681 17.440) 18.246 9.405 ( 2.173 1.254 18.178) 18.350 13.265 ( -14.615 -8.438 -23.845) 29.212 13.771 ( 17.553 10.134 11.169) 23.142 14.483 ( 10.294 5.944 18.596) 22.071 14.549 ( -18.928 -10.928 14.931) 26.469 17.117 ( -0.916 -0.529 -12.414) 12.458 17.191 ( 3.705 2.139 -8.271) 9.312 ======================= Grid point 274 (93/146) ======================= q-point: (-0.27 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -12.708 -7.337 -12.965) 19.582 1.920 ( -16.059 -9.272 -13.522) 22.950 2.658 ( 23.082 13.327 -6.600) 27.458 2.773 ( -14.880 -8.591 9.643) 19.703 3.262 ( 1.146 0.662 2.349) 2.696 3.359 ( -3.559 -2.055 1.712) 4.452 3.627 ( 4.773 2.756 -3.906) 6.755 3.687 ( 0.934 0.539 6.864) 6.948 4.680 ( -2.874 -1.659 -5.822) 6.701 5.011 ( -1.667 -0.963 -5.491) 5.819 5.481 ( -7.242 -4.181 -1.549) 8.505 5.723 ( 12.159 7.020 1.943) 14.174 6.814 ( -4.059 -2.343 -14.665) 15.396 7.272 ( 8.651 4.994 -14.903) 17.941 8.076 ( 1.764 1.019 -1.932) 2.808 8.618 ( -11.802 -6.814 19.815) 24.049 8.650 ( 0.583 0.337 8.614) 8.640 9.583 ( 3.636 2.099 14.799) 15.383 12.799 ( -13.449 -7.765 -21.935) 26.875 14.172 ( -22.416 -12.942 16.682) 30.793 14.238 ( 16.534 9.546 13.150) 23.182 14.805 ( 8.608 4.970 14.115) 17.263 17.025 ( 0.821 0.474 -16.406) 16.433 17.235 ( 4.172 2.409 -6.816) 8.346 ======================= Grid point 275 (94/146) ======================= q-point: (-0.18 0.18 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -14.680 -8.476 -14.300) 22.178 1.438 ( -17.737 -10.241 -15.235) 25.526 2.484 ( -16.762 -9.677 13.007) 23.319 3.078 ( 12.235 7.064 0.921) 14.158 3.301 ( 0.554 0.320 4.935) 4.976 3.338 ( 5.102 2.945 -1.893) 6.187 3.688 ( 2.774 1.602 -3.831) 4.994 3.762 ( 2.109 1.218 4.221) 4.873 4.578 ( -2.613 -1.509 -9.957) 10.404 4.905 ( -4.735 -2.734 -4.550) 7.113 5.309 ( -7.391 -4.267 4.423) 9.612 5.974 ( 9.614 5.551 -0.894) 11.138 6.701 ( 0.521 0.301 -10.093) 10.111 7.420 ( 12.457 7.192 -15.083) 20.842 8.050 ( -1.220 -0.704 -5.774) 5.943 8.434 ( -14.750 -8.516 19.376) 25.797 8.760 ( 2.968 1.713 10.903) 11.429 9.727 ( 1.821 1.052 9.638) 9.865 12.403 ( -10.214 -5.897 -16.991) 20.683 13.749 ( -24.098 -13.913 17.712) 32.985 14.671 ( 13.636 7.873 14.912) 21.686 15.047 ( 6.199 3.579 9.271) 11.713 16.954 ( 2.911 1.681 -19.385) 19.674 17.291 ( 3.960 2.286 -4.959) 6.745 ======================= Grid point 280 (95/146) ======================= q-point: ( 0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.000 -6.725 26.973) 27.799 1.317 ( -0.000 -8.826 28.481) 29.817 2.010 ( -0.000 17.532 25.652) 31.071 3.146 ( 0.000 2.723 -6.839) 7.361 3.271 ( 0.000 3.450 -5.025) 6.096 3.637 ( -0.000 1.648 6.738) 6.937 3.683 ( -0.000 4.355 8.619) 9.657 4.117 ( 0.000 -11.775 -9.485) 15.120 4.478 ( -0.000 -4.958 1.872) 5.299 4.551 ( -0.000 4.308 0.825) 4.387 5.761 ( 0.000 -10.326 -1.803) 10.482 6.193 ( 0.000 -3.079 -6.276) 6.990 7.145 ( -0.000 -12.463 15.326) 19.753 7.688 ( 0.000 -0.694 -0.805) 1.063 7.945 ( -0.000 15.582 7.913) 17.476 8.098 ( 0.000 -20.341 -12.103) 23.669 8.859 ( 0.000 26.572 -11.435) 28.927 8.902 ( 0.000 5.116 -5.013) 7.163 12.440 ( -0.000 -10.807 18.239) 21.200 12.998 ( -0.000 20.369 23.186) 30.862 14.898 ( 0.000 1.009 -16.128) 16.159 15.083 ( 0.000 5.111 -10.452) 11.635 17.441 ( -0.000 -2.645 0.101) 2.647 17.441 ( -0.000 -15.726 0.988) 15.757 ======================= Grid point 281 (96/146) ======================= q-point: ( 0.36 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -11.136 -4.509 25.477) 28.168 1.679 ( 18.429 -6.190 24.693) 31.428 2.317 ( 0.505 13.494 20.328) 24.404 3.068 ( -5.089 4.014 -5.937) 8.790 3.329 ( 4.629 1.489 -5.361) 7.238 3.653 ( -3.207 -1.282 -1.029) 3.604 3.818 ( 3.007 -2.793 3.234) 5.225 3.954 ( 1.568 -2.469 -1.862) 3.467 4.363 ( -4.810 -4.464 3.052) 7.237 4.672 ( 6.568 2.643 -0.549) 7.101 5.575 ( -9.010 -8.430 1.676) 12.452 6.087 ( -3.005 -4.403 -7.414) 9.131 7.111 ( 1.627 -10.811 9.382) 14.406 7.662 ( -0.162 -3.773 -0.496) 3.809 7.913 ( 7.490 -17.239 -8.422) 20.596 8.186 ( -0.166 16.750 7.527) 18.365 8.813 ( -7.651 15.390 -10.203) 19.987 9.132 ( 5.747 13.661 -2.600) 15.047 12.508 ( 7.011 -8.848 17.255) 20.620 13.391 ( 3.567 21.508 24.135) 32.524 14.664 ( -13.311 2.267 -19.329) 23.578 15.146 ( 4.900 3.226 -7.203) 9.290 17.260 ( -1.633 -16.279 0.525) 16.370 17.392 ( -1.304 -4.335 -1.287) 4.707 ======================= Grid point 282 (97/146) ======================= q-point: ( 0.45 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 2.949 2.699 13.916) 14.479 2.062 ( 14.800 -3.282 19.854) 24.980 2.520 ( -1.651 6.308 13.656) 15.133 3.006 ( -1.509 2.040 -5.564) 6.115 3.354 ( 2.674 -2.834 -6.245) 7.361 3.491 ( -1.868 -9.304 -11.030) 14.551 3.740 ( -7.163 -0.194 6.506) 9.679 3.994 ( -5.388 0.933 -1.282) 5.616 4.432 ( 12.041 3.143 6.706) 14.136 4.787 ( 5.495 1.004 -2.659) 6.187 5.363 ( -9.268 -4.950 4.022) 11.250 5.924 ( -4.720 -4.549 -8.153) 10.461 7.106 ( 4.053 -7.767 1.192) 8.842 7.590 ( 2.542 -12.694 -6.461) 14.468 7.836 ( 1.021 -7.949 2.228) 8.318 8.349 ( -1.639 13.292 -0.093) 13.393 8.840 ( -2.981 17.312 -1.519) 17.632 9.305 ( 1.377 7.938 4.843) 9.401 12.723 ( 14.687 -6.146 15.537) 22.246 13.821 ( 4.576 20.877 23.343) 31.650 14.290 ( -16.954 1.017 -21.915) 27.726 15.166 ( -1.905 -0.718 0.246) 2.051 17.108 ( 1.394 -11.536 -3.311) 12.082 17.297 ( -2.107 -5.419 -4.068) 7.096 ======================= Grid point 283 (98/146) ======================= q-point: ( 0.55 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 15.734 8.836 0.764) 18.062 2.298 ( 1.041 -0.862 7.329) 7.452 2.524 ( -2.743 -6.292 4.680) 8.308 3.001 ( 2.914 0.657 -1.921) 3.551 3.280 ( 1.387 -9.684 -7.102) 12.089 3.372 ( 2.358 -3.626 -5.715) 7.167 3.662 ( -9.727 5.017 4.915) 11.998 3.864 ( -8.249 0.068 3.157) 8.833 4.763 ( 15.325 6.015 0.389) 16.468 4.829 ( 2.180 -1.627 -4.851) 5.562 5.241 ( -4.366 -1.603 6.934) 8.349 5.757 ( -4.091 -3.179 -7.509) 9.123 7.094 ( 3.203 -4.897 -5.668) 8.147 7.393 ( -3.701 -11.515 -12.776) 17.593 7.858 ( 1.512 -0.233 9.789) 9.908 8.392 ( 3.113 -2.466 -4.583) 6.065 9.005 ( -4.950 22.819 6.859) 24.336 9.405 ( -0.771 1.718 12.495) 12.636 13.068 ( 20.521 -4.348 14.378) 25.431 13.835 ( -18.339 -1.088 -23.302) 29.673 14.246 ( 4.158 19.997 20.954) 29.262 15.065 ( -9.566 -4.941 7.647) 13.206 17.043 ( 4.689 -5.879 -7.092) 10.337 17.169 ( -2.009 -5.531 -7.869) 9.826 ======================= Grid point 284 (99/146) ======================= q-point: ( 0.64 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 22.336 10.813 -7.084) 25.807 2.104 ( -9.270 -11.107 -11.277) 18.343 2.431 ( -9.010 -1.800 -0.099) 9.189 3.061 ( 1.051 -3.087 4.523) 5.576 3.181 ( 2.929 -8.101 -1.790) 8.798 3.395 ( 5.322 -0.271 -5.057) 7.347 3.566 ( -8.983 4.165 3.525) 10.510 3.787 ( -5.834 1.356 7.751) 9.795 4.769 ( -1.299 -4.020 -5.744) 7.130 4.981 ( 5.587 5.003 -8.876) 11.620 5.323 ( 7.631 1.976 10.660) 13.258 5.637 ( -2.726 -1.615 -5.404) 6.264 7.019 ( -2.387 -6.120 -10.716) 12.569 7.161 ( -3.499 0.932 -13.022) 13.516 7.968 ( 3.367 1.583 6.105) 7.149 8.385 ( 7.301 -13.570 2.401) 15.596 9.123 ( -11.999 17.641 8.666) 23.028 9.508 ( 1.405 1.143 16.867) 16.964 13.346 ( -17.561 -1.852 -22.260) 28.414 13.506 ( 22.652 -4.067 13.065) 26.464 14.621 ( 3.371 17.855 17.667) 25.344 14.846 ( -15.859 -8.039 12.745) 21.876 17.030 ( -0.971 -4.420 -12.048) 12.870 17.055 ( 6.310 -1.490 -8.561) 10.739 ======================= Grid point 285 (100/146) ======================= q-point: (-0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -9.433 -16.357 -14.195) 23.623 2.154 ( -18.260 3.198 -9.533) 20.846 2.308 ( 24.647 10.900 -9.343) 28.523 2.954 ( -8.107 -8.629 7.064) 13.787 3.225 ( 3.816 -0.644 1.751) 4.248 3.419 ( -1.868 -0.995 0.496) 2.173 3.534 ( 2.379 0.385 -0.713) 2.513 3.784 ( -3.146 2.989 8.829) 9.838 4.661 ( -2.203 -3.467 -5.739) 7.057 5.002 ( -0.332 3.482 -8.132) 8.853 5.506 ( -0.203 -3.003 -1.726) 3.470 5.615 ( 7.798 4.107 3.885) 9.632 6.806 ( -6.486 -0.601 -12.464) 14.063 7.138 ( 3.863 6.082 -12.520) 14.445 8.031 ( 1.253 -0.563 -2.071) 2.485 8.442 ( 10.713 -15.115 13.099) 22.690 9.054 ( -16.322 6.301 11.880) 21.148 9.666 ( 1.855 3.492 13.919) 14.469 12.881 ( -17.548 -1.158 -21.050) 27.429 13.967 ( 24.785 -5.013 14.820) 29.310 14.531 ( -20.554 -10.292 15.881) 27.939 14.927 ( 2.108 14.722 12.984) 19.742 16.904 ( 0.301 -1.706 -15.888) 15.982 17.115 ( 6.550 1.250 -7.952) 10.378 ======================= Grid point 286 (101/146) ======================= q-point: (-0.18 0.27 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -10.437 -13.253 -9.949) 19.585 1.762 ( -23.318 5.987 -13.741) 27.720 2.659 ( -0.215 -7.705 4.620) 8.986 2.873 ( 12.317 9.867 -3.083) 16.080 3.272 ( 1.782 -2.818 3.509) 4.840 3.363 ( -3.291 -1.415 3.045) 4.701 3.589 ( 5.023 -1.587 -2.360) 5.772 3.843 ( -1.112 4.863 8.176) 9.578 4.556 ( -2.930 -1.114 -8.092) 8.678 4.948 ( -3.957 2.027 -6.187) 7.619 5.389 ( -5.480 -4.656 0.613) 7.217 5.845 ( 10.348 3.710 0.374) 10.999 6.680 ( -2.462 4.775 -9.514) 10.926 7.238 ( 8.228 9.546 -13.146) 18.211 7.988 ( 0.158 -5.281 -3.894) 6.563 8.584 ( 7.397 -9.658 16.382) 20.405 8.874 ( -14.997 -1.703 12.224) 19.423 9.782 ( 0.477 0.817 8.499) 8.552 12.489 ( -14.622 1.549 -15.868) 21.633 14.143 ( -23.209 -11.825 17.542) 31.404 14.424 ( 22.999 -6.677 15.559) 28.559 15.136 ( 1.083 9.000 7.153) 11.547 16.819 ( 1.521 3.500 -17.976) 18.377 17.196 ( 5.837 2.587 -6.352) 9.006 ======================= Grid point 292 (102/146) ======================= q-point: ( 0.36 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -0.000 -5.052 27.133) 27.599 1.485 ( -0.000 -9.432 27.036) 28.634 2.555 ( -0.000 11.605 15.619) 19.458 3.151 ( 0.000 7.121 -8.577) 11.147 3.225 ( 0.000 -0.456 -13.919) 13.926 3.535 ( 0.000 -14.465 -6.744) 15.960 3.897 ( -0.000 4.131 10.902) 11.658 3.910 ( -0.000 -0.270 5.277) 5.284 4.353 ( -0.000 -7.989 0.236) 7.993 4.645 ( 0.000 4.456 0.032) 4.456 5.581 ( -0.000 -7.560 1.307) 7.672 6.014 ( 0.000 -5.590 -8.062) 9.811 7.026 ( -0.000 -14.661 9.716) 17.588 7.496 ( 0.000 -18.114 -8.676) 20.085 7.749 ( 0.000 1.132 -2.255) 2.523 8.460 ( -0.000 21.089 11.795) 24.163 8.943 ( 0.000 4.826 -4.802) 6.808 9.221 ( 0.000 23.999 -9.318) 25.744 12.453 ( -0.000 -11.162 18.529) 21.631 13.746 ( -0.000 24.524 23.864) 34.218 14.737 ( 0.000 6.289 -21.798) 22.687 15.056 ( 0.000 5.354 -10.309) 11.616 17.088 ( -0.000 -22.084 4.091) 22.459 17.337 ( 0.000 -7.019 -1.948) 7.285 ======================= Grid point 293 (103/146) ======================= q-point: ( 0.45 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -10.092 -4.624 23.158) 25.682 1.859 ( 18.656 -7.054 24.662) 31.717 2.700 ( -4.481 5.139 7.592) 10.204 2.994 ( -2.364 -7.590 -14.919) 16.905 3.200 ( 2.803 0.367 -12.428) 12.745 3.393 ( -1.874 -4.045 -2.631) 5.176 3.917 ( -4.516 2.753 7.605) 9.264 4.029 ( 1.988 -0.492 3.521) 4.073 4.319 ( 5.505 -2.672 4.993) 7.898 4.712 ( 2.990 2.440 -1.380) 4.098 5.470 ( -6.063 -4.973 2.469) 8.221 5.886 ( -2.452 -5.210 -8.417) 10.199 6.961 ( 2.909 -13.368 6.585) 15.183 7.318 ( 4.643 -16.463 -7.717) 18.766 7.779 ( 1.723 1.077 1.547) 2.554 8.615 ( -10.464 15.523 -1.078) 18.751 9.008 ( 3.695 10.823 4.069) 12.139 9.410 ( 0.548 18.956 -4.119) 19.406 12.536 ( 8.877 -10.505 17.963) 22.624 14.143 ( 1.108 23.814 22.134) 32.531 14.488 ( -16.627 6.850 -23.298) 29.431 15.125 ( 5.484 3.973 -7.329) 9.979 16.916 ( 2.087 -19.876 3.562) 20.301 17.231 ( -1.179 -8.808 -3.836) 9.679 ======================= Grid point 294 (104/146) ======================= q-point: ( 0.55 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 2.374 0.975 11.846) 12.121 2.232 ( 13.906 -5.012 18.482) 23.666 2.471 ( -6.490 -16.659 -13.739) 22.548 2.954 ( 2.733 0.514 2.840) 3.975 3.160 ( -1.109 0.960 -9.845) 9.954 3.316 ( -2.079 -0.207 -4.475) 4.939 3.889 ( -6.464 1.540 7.295) 9.868 3.988 ( -4.895 -0.102 0.549) 4.927 4.555 ( 14.837 1.820 4.422) 15.588 4.750 ( 1.805 -0.669 -3.418) 3.923 5.349 ( -5.678 -1.784 4.616) 7.532 5.740 ( -3.291 -3.293 -7.831) 9.110 6.943 ( 4.625 -9.570 2.001) 10.815 7.205 ( 3.544 -12.324 -7.311) 14.761 7.842 ( 3.229 -2.201 7.288) 8.270 8.476 ( -12.333 8.977 -11.278) 18.971 9.272 ( 4.721 13.736 11.056) 18.254 9.534 ( -3.510 12.525 1.413) 13.084 12.769 ( 16.972 -9.336 16.812) 25.649 14.053 ( -21.391 5.421 -23.939) 32.558 14.537 ( 1.592 21.669 19.110) 28.936 15.162 ( -1.515 -0.025 0.298) 1.544 16.830 ( 5.810 -12.844 -0.699) 14.114 17.083 ( -1.719 -8.989 -6.636) 11.305 ======================= Grid point 295 (105/146) ======================= q-point: ( 0.64 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 14.414 5.969 -0.702) 15.617 2.022 ( -7.892 -16.954 -17.493) 25.607 2.519 ( 4.160 -2.694 13.483) 14.365 2.998 ( 0.356 -7.677 0.002) 7.685 3.080 ( 0.859 4.692 -4.454) 6.527 3.293 ( 2.389 0.885 -5.489) 6.052 3.807 ( -10.597 1.834 5.602) 12.126 3.922 ( -3.712 -0.512 5.075) 6.309 4.710 ( -0.358 -3.111 -3.969) 5.055 4.829 ( 11.875 3.571 -4.834) 13.310 5.332 ( 0.217 0.683 8.321) 8.352 5.626 ( -2.107 -1.281 -6.076) 6.557 6.934 ( 1.702 -4.672 -2.302) 5.479 7.101 ( 0.815 -5.272 -8.300) 9.866 7.943 ( 5.514 -4.227 11.202) 13.182 8.284 ( -7.443 1.797 -10.568) 13.050 9.515 ( -6.096 17.637 5.618) 19.488 9.565 ( 0.957 -0.601 10.862) 10.920 13.124 ( 22.669 -8.662 15.813) 28.965 13.576 ( -22.491 4.632 -23.123) 32.588 14.865 ( 1.397 17.197 14.875) 22.781 15.071 ( -9.611 -4.298 7.890) 13.156 16.849 ( 8.468 -5.175 -4.807) 11.027 16.926 ( -1.352 -6.773 -9.484) 11.732 ======================= Grid point 296 (106/146) ======================= q-point: (-0.27 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -7.652 -11.477 -11.734) 18.110 1.938 ( 21.875 8.090 -8.976) 24.990 2.448 ( -15.571 4.290 -3.082) 16.442 2.935 ( 2.724 -11.165 3.564) 12.032 3.176 ( 3.978 3.483 1.599) 5.524 3.338 ( 5.167 0.930 -4.809) 7.120 3.652 ( -10.856 -1.216 5.215) 12.105 3.905 ( -2.232 -1.143 7.471) 7.881 4.637 ( -2.168 -1.513 -2.995) 3.995 4.958 ( 4.553 4.537 -10.308) 12.148 5.448 ( 4.275 0.136 5.322) 6.827 5.577 ( 1.347 0.158 -1.337) 1.904 6.853 ( -5.123 0.939 -6.044) 7.979 7.067 ( 3.176 2.954 -9.128) 10.106 8.027 ( -1.979 0.668 -1.101) 2.361 8.197 ( 8.341 -11.372 7.804) 16.119 9.433 ( -14.512 3.942 7.433) 16.775 9.725 ( 3.307 1.844 9.302) 10.043 13.110 ( -21.422 5.661 -19.738) 29.674 13.553 ( 25.672 -8.908 15.073) 31.074 14.850 ( -16.228 -7.711 13.187) 22.287 15.101 ( 1.009 10.146 8.266) 13.126 16.802 ( -0.423 -1.266 -11.119) 11.199 16.943 ( 8.945 0.387 -6.438) 11.028 ======================= Grid point 297 (107/146) ======================= q-point: (-0.18 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -9.397 -0.139 -1.573) 9.529 2.135 ( -21.078 7.351 -10.479) 24.660 2.359 ( 23.318 6.039 -9.793) 26.002 2.876 ( -1.393 -6.311 4.385) 7.810 3.268 ( 1.091 1.670 3.296) 3.852 3.384 ( 1.582 -1.160 -2.447) 3.136 3.525 ( -3.165 -3.199 3.959) 5.994 3.926 ( 1.096 -1.982 8.020) 8.334 4.578 ( -3.756 2.915 -2.517) 5.380 4.972 ( -0.060 3.986 -9.251) 10.074 5.426 ( -4.089 -2.247 -1.692) 4.963 5.710 ( 9.184 1.165 2.167) 9.507 6.759 ( -5.133 7.640 -6.333) 11.173 7.142 ( 5.993 8.791 -10.337) 14.834 7.927 ( -2.659 -4.429 -4.548) 6.883 8.376 ( 13.759 -11.275 15.384) 23.518 9.220 ( -17.516 -2.091 9.625) 20.095 9.801 ( 1.221 -3.613 4.712) 6.062 12.730 ( -18.471 8.752 -14.123) 24.844 13.997 ( 25.853 -9.911 14.345) 31.183 14.537 ( -20.874 -9.680 16.376) 28.242 15.194 ( 0.826 0.038 0.020) 0.827 16.763 ( 0.627 7.341 -10.517) 12.841 17.068 ( 7.844 3.362 -6.214) 10.556 ======================= Grid point 304 (108/146) ======================= q-point: ( 0.45 0.45 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.000 -10.179 23.569) 25.673 1.649 ( -0.000 -7.141 26.418) 27.366 2.656 ( 0.000 -23.846 -25.999) 35.279 2.883 ( -0.000 7.592 8.304) 11.251 3.199 ( 0.000 8.268 -8.158) 11.615 3.397 ( 0.000 2.398 -2.241) 3.283 3.983 ( -0.000 -8.162 2.351) 8.494 4.011 ( -0.000 1.341 4.881) 5.061 4.293 ( -0.000 0.838 7.341) 7.389 4.712 ( 0.000 2.167 -0.390) 2.202 5.492 ( -0.000 -3.615 1.811) 4.043 5.806 ( 0.000 -4.051 -8.281) 9.219 6.841 ( -0.000 -15.146 8.410) 17.324 7.086 ( 0.000 -13.361 -4.747) 14.180 7.799 ( 0.000 4.046 -0.173) 4.050 8.941 ( -0.000 15.801 3.760) 16.242 8.963 ( 0.000 3.531 -5.321) 6.386 9.600 ( 0.000 22.217 -2.927) 22.409 12.463 ( -0.000 -11.536 18.603) 21.890 14.500 ( -0.000 22.590 20.136) 30.261 14.594 ( 0.000 9.707 -26.145) 27.889 15.039 ( 0.000 5.860 -10.022) 11.609 16.726 ( -0.000 -21.925 9.031) 23.712 17.118 ( 0.000 -10.888 -4.145) 11.650 ======================= Grid point 305 (109/146) ======================= q-point: ( 0.55 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -8.857 -6.954 19.514) 22.530 1.993 ( 18.549 -10.066 22.331) 30.726 2.234 ( -3.186 -22.225 -22.369) 31.694 2.993 ( -0.361 5.118 5.662) 7.641 3.198 ( -3.130 7.055 -6.921) 10.367 3.371 ( -4.961 3.324 -4.359) 7.394 3.903 ( 1.707 -9.008 0.448) 9.179 4.068 ( 0.475 2.901 0.600) 3.000 4.408 ( 6.292 0.292 9.115) 11.080 4.722 ( -0.041 -0.013 -0.666) 0.667 5.441 ( -3.765 -1.245 2.699) 4.797 5.711 ( -2.006 -1.545 -7.642) 8.050 6.784 ( 4.156 -12.871 7.332) 15.385 6.987 ( 3.875 -10.348 -2.730) 11.382 7.843 ( 0.444 2.507 2.095) 3.298 8.749 ( -15.788 7.794 -9.446) 19.981 9.258 ( 11.450 6.825 3.539) 13.791 9.765 ( -3.168 18.361 -1.325) 18.680 12.546 ( 9.512 -11.296 18.060) 23.329 14.333 ( -19.079 9.989 -25.488) 33.368 14.827 ( 0.842 18.230 15.519) 23.956 15.118 ( 6.061 4.707 -7.440) 10.689 16.618 ( 3.800 -17.242 8.843) 19.746 16.974 ( -1.006 -10.451 -4.664) 11.489 ======================= Grid point 306 (110/146) ======================= q-point: ( 0.64 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 2.430 -2.058 8.644) 9.212 1.858 ( -4.488 -13.632 -15.919) 21.433 2.343 ( 18.139 -10.845 18.723) 28.235 3.020 ( -4.931 0.848 1.193) 5.143 3.153 ( -4.738 7.127 -5.101) 9.963 3.273 ( -2.879 2.087 -5.884) 6.875 3.886 ( 2.961 -5.995 2.435) 7.116 4.039 ( -7.084 1.811 0.041) 7.312 4.608 ( 11.882 -0.321 2.034) 12.059 4.705 ( -0.958 -0.399 0.041) 1.039 5.407 ( -2.327 1.032 4.984) 5.596 5.619 ( -2.595 0.280 -6.438) 6.947 6.818 ( 6.507 -7.408 5.135) 11.117 6.956 ( 3.685 -6.632 -2.359) 7.945 7.893 ( 2.100 -1.503 6.271) 6.782 8.476 ( -15.958 7.059 -13.041) 21.784 9.504 ( 9.110 1.059 5.820) 10.862 9.821 ( -7.157 12.281 -1.366) 14.280 12.782 ( 17.692 -10.749 16.889) 26.716 13.903 ( -23.776 10.010 -23.380) 34.816 15.063 ( 0.807 10.446 8.939) 13.772 15.171 ( -1.047 0.616 0.142) 1.223 16.632 ( 7.885 -8.553 3.937) 12.281 16.838 ( -1.371 -6.130 -4.464) 7.706 ======================= Grid point 307 (111/146) ======================= q-point: ( 0.73 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 4.762 2.258 -1.326) 5.434 1.655 ( 3.964 0.923 -6.637) 7.785 2.604 ( 9.992 -8.653 13.840) 19.138 2.825 ( -10.745 -0.836 -8.860) 13.951 3.188 ( 1.389 4.977 1.985) 5.535 3.262 ( 1.910 3.175 -5.165) 6.357 3.860 ( -7.743 -2.964 3.984) 9.199 3.899 ( -2.205 -6.067 -0.061) 6.456 4.690 ( -2.480 2.948 3.658) 5.313 4.798 ( 10.239 1.379 -7.359) 12.685 5.450 ( 1.668 1.072 6.662) 6.951 5.557 ( -1.405 1.152 -4.730) 5.067 6.895 ( 1.912 0.899 2.157) 3.020 6.952 ( 4.454 -2.198 -3.594) 6.131 7.977 ( 6.378 -6.174 10.664) 13.875 8.201 ( -13.071 4.304 -12.642) 18.687 9.642 ( 2.080 -4.165 8.446) 9.644 9.756 ( -6.964 4.644 -3.389) 9.031 13.131 ( 23.174 -10.488 15.455) 29.764 13.462 ( -23.793 11.251 -19.274) 32.622 15.082 ( -9.535 -4.170 8.146) 13.216 15.164 ( 0.821 -0.233 -0.080) 0.857 16.754 ( 9.785 -0.340 -1.017) 9.843 16.771 ( -0.855 2.003 -3.031) 3.732 ======================= Grid point 308 (112/146) ======================= q-point: (-0.18 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -7.582 13.320 6.593) 16.684 1.947 ( 22.180 5.187 -10.915) 25.258 2.493 ( -18.178 5.873 -6.295) 20.114 2.768 ( 7.548 -10.642 4.417) 13.774 3.283 ( 2.242 4.764 1.618) 5.508 3.319 ( 3.289 2.112 -2.655) 4.725 3.660 ( -11.415 -3.774 4.649) 12.891 3.844 ( 3.608 -10.284 0.736) 10.923 4.718 ( -4.169 7.090 6.651) 10.578 4.891 ( 5.649 2.206 -10.825) 12.408 5.485 ( -4.205 2.223 -1.705) 5.053 5.586 ( 7.059 -0.930 2.272) 7.474 6.905 ( -4.600 8.487 -0.818) 9.688 7.047 ( 7.476 4.297 -5.519) 10.238 7.963 ( -9.062 0.564 -8.526) 12.455 8.133 ( 11.855 -10.296 13.156) 20.485 9.519 ( -14.298 -2.189 5.013) 15.309 9.717 ( 3.096 -8.996 -0.035) 9.514 13.098 ( -21.060 14.033 -13.225) 28.555 13.538 ( 25.704 -10.757 13.448) 30.940 14.867 ( -16.415 -7.453 13.355) 22.436 15.101 ( 1.186 -10.246 -7.949) 13.022 16.809 ( -0.134 10.171 -1.938) 10.355 16.927 ( 9.231 4.415 -3.746) 10.897 ======================= Grid point 316 (113/146) ======================= q-point: ( 0.55 0.55 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -0.000 -11.733 18.940) 22.280 1.774 ( -0.000 -11.790 22.294) 25.220 1.941 ( 0.000 -15.072 -16.258) 22.169 3.092 ( -0.000 6.164 4.203) 7.460 3.266 ( 0.000 7.154 -6.046) 9.367 3.451 ( 0.000 5.282 -2.779) 5.968 3.752 ( 0.000 -11.309 -3.850) 11.946 4.045 ( 0.000 -0.732 -1.078) 1.303 4.441 ( -0.000 0.122 10.252) 10.253 4.723 ( -0.000 -0.616 1.262) 1.404 5.477 ( -0.000 -0.424 1.750) 1.801 5.685 ( 0.000 1.630 -6.930) 7.119 6.661 ( -0.000 -13.575 8.901) 16.233 6.863 ( -0.000 -6.740 0.694) 6.775 7.884 ( -0.000 3.703 1.036) 3.845 8.947 ( 0.000 2.347 -6.341) 6.762 9.171 ( 0.000 8.706 -4.094) 9.620 9.940 ( 0.000 14.066 -4.025) 14.630 12.463 ( -0.000 -11.960 18.343) 21.898 14.481 ( 0.000 13.276 -26.974) 30.064 15.006 ( 0.000 7.908 -3.140) 8.508 15.069 ( -0.000 8.998 2.266) 9.278 16.494 ( -0.000 -16.429 15.338) 22.476 16.867 ( 0.000 -8.234 -1.587) 8.385 ======================= Grid point 317 (114/146) ======================= q-point: ( 0.64 0.55 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -7.262 -10.041 14.815) 19.315 1.768 ( -1.967 0.259 -6.035) 6.353 2.016 ( 17.849 -14.276 18.786) 29.585 3.135 ( -4.187 2.944 2.936) 5.900 3.252 ( -2.960 4.711 -5.104) 7.550 3.375 ( -8.812 3.400 -4.947) 10.662 3.720 ( 7.458 -7.039 -2.469) 10.548 4.064 ( 3.358 -0.514 -5.255) 6.257 4.500 ( 2.091 -2.511 8.679) 9.274 4.733 ( -0.170 0.606 3.641) 3.695 5.472 ( -1.635 0.265 2.284) 2.821 5.647 ( -2.650 3.518 -5.897) 7.360 6.650 ( 6.204 -10.500 8.366) 14.790 6.853 ( 2.846 -3.040 2.955) 5.106 7.917 ( -0.757 1.774 2.634) 3.264 8.745 ( -15.912 5.185 -10.825) 19.931 9.349 ( 11.338 1.437 -1.774) 11.565 9.982 ( -3.380 7.518 -7.125) 10.895 12.542 ( 9.686 -11.869 17.641) 23.364 14.256 ( -19.743 14.142 -23.824) 34.020 15.109 ( 5.982 4.151 -5.531) 9.143 15.143 ( 1.368 0.620 -2.281) 2.732 16.491 ( 4.118 -10.344 14.702) 18.442 16.809 ( -0.840 -1.758 2.291) 3.007 ======================= Grid point 318 (115/146) ======================= q-point: (-0.27 -0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.474 -5.371 4.529) 7.838 1.795 ( -4.150 15.010 5.282) 16.444 2.288 ( 18.166 -14.268 12.978) 26.495 3.004 ( -10.447 -2.026 -2.940) 11.040 3.234 ( -1.443 5.160 -3.573) 6.440 3.290 ( -2.957 4.819 -0.618) 5.688 3.737 ( 4.322 -8.525 -3.422) 10.152 4.016 ( -5.133 -1.028 -3.931) 6.546 4.599 ( 8.253 -2.027 0.951) 8.552 4.787 ( 0.021 3.800 7.519) 8.425 5.462 ( -0.272 -1.309 2.332) 2.688 5.609 ( -3.189 5.222 -3.390) 6.995 6.751 ( 9.323 -5.715 5.105) 12.068 6.928 ( 3.156 2.139 5.184) 6.435 7.930 ( 0.133 -2.354 5.438) 5.928 8.437 ( -17.020 6.192 -13.917) 22.841 9.501 ( 9.052 -5.935 0.109) 10.825 9.890 ( -6.736 1.584 -7.747) 10.387 12.769 ( 17.674 -11.491 16.014) 26.474 13.882 ( -23.778 15.050 -19.309) 34.129 15.061 ( 0.980 -11.120 -8.546) 14.059 15.181 ( -0.657 0.647 -0.016) 0.922 16.610 ( 7.862 -1.661 8.601) 11.770 16.835 ( -1.113 5.642 4.596) 7.362 ======================= Grid point 328 (116/146) ======================= q-point: (-0.36 -0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.000 -13.554 14.731) 20.018 1.758 ( -0.000 -14.466 18.041) 23.125 1.870 ( -0.000 14.260 6.076) 15.501 3.223 ( -0.000 -0.062 1.071) 1.073 3.270 ( 0.000 0.586 -5.698) 5.728 3.493 ( 0.000 1.711 -3.196) 3.625 3.543 ( 0.000 -1.311 -3.811) 4.031 3.955 ( 0.000 -2.776 -6.655) 7.210 4.524 ( -0.000 -3.773 9.102) 9.853 4.770 ( -0.000 1.525 5.642) 5.844 5.498 ( -0.000 -0.447 1.550) 1.613 5.680 ( 0.000 5.487 -5.722) 7.928 6.553 ( -0.000 -8.800 9.939) 13.275 6.842 ( -0.000 0.318 6.101) 6.109 7.962 ( -0.000 2.038 2.185) 2.988 8.900 ( 0.000 1.861 -7.766) 7.986 9.192 ( 0.000 1.063 -8.649) 8.714 9.999 ( 0.000 2.541 -11.637) 11.911 12.450 ( -0.000 -12.297 17.810) 21.643 14.464 ( 0.000 17.296 -23.714) 29.352 15.014 ( 0.000 1.427 -9.045) 9.157 15.052 ( 0.000 -6.622 -9.752) 11.788 16.475 ( -0.000 -8.342 20.484) 22.118 16.859 ( -0.000 3.677 7.343) 8.212 ======================= Grid point 329 (117/146) ======================= q-point: (-0.27 -0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -6.307 -12.947 11.320) 18.318 1.919 ( 16.700 -16.482 14.938) 27.816 2.111 ( -2.424 25.445 11.014) 27.833 3.068 ( -5.794 -8.912 -4.792) 11.660 3.275 ( -1.219 3.726 -3.088) 4.991 3.421 ( -5.433 3.136 -0.990) 6.351 3.575 ( 3.284 -3.147 -3.865) 5.969 3.949 ( 5.201 -1.065 -8.636) 10.138 4.533 ( 0.389 -4.194 7.923) 8.973 4.847 ( 1.915 2.448 7.771) 8.369 5.475 ( -1.805 -2.511 1.182) 3.311 5.694 ( -1.839 7.172 -3.704) 8.279 6.602 ( 6.179 -4.947 9.083) 12.048 6.941 ( 3.447 4.463 8.537) 10.231 7.970 ( -2.235 -0.204 3.295) 3.987 8.691 ( -15.464 4.231 -12.510) 20.336 9.244 ( 10.190 -7.436 -7.675) 14.766 9.910 ( -2.272 -0.113 -11.823) 12.039 12.521 ( 9.478 -12.124 16.867) 22.833 14.296 ( -19.456 17.139 -19.681) 32.552 14.820 ( 0.886 -19.142 -14.400) 23.970 15.123 ( 7.226 5.322 -7.613) 11.768 16.576 ( 3.606 -2.535 18.438) 18.957 16.958 ( -0.708 7.124 8.339) 10.990 ======================= Grid point 340 (118/146) ======================= q-point: (-0.27 -0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -0.000 -15.371 12.783) 19.992 1.633 ( -0.000 -18.949 16.186) 24.921 2.484 ( -0.000 29.364 11.905) 31.685 2.949 ( 0.000 -14.426 -8.789) 16.893 3.315 ( 0.000 3.194 -2.798) 4.246 3.418 ( 0.000 -4.016 -4.261) 5.855 3.583 ( -0.000 4.712 0.143) 4.714 3.822 ( 0.000 -0.765 -7.246) 7.286 4.543 ( -0.000 -4.817 8.719) 9.961 4.886 ( -0.000 0.198 7.092) 7.095 5.464 ( -0.000 -4.631 0.112) 4.633 5.769 ( 0.000 9.352 -2.456) 9.670 6.576 ( -0.000 -2.164 10.580) 10.799 7.029 ( -0.000 7.893 10.990) 13.531 8.015 ( -0.000 -0.218 3.500) 3.507 8.832 ( 0.000 2.290 -9.430) 9.704 8.953 ( 0.000 -10.709 -15.574) 18.901 9.843 ( 0.000 0.045 -12.841) 12.841 12.427 ( -0.000 -12.276 17.275) 21.192 14.494 ( 0.000 -24.203 -17.304) 29.753 14.550 ( 0.000 18.198 -19.491) 26.666 15.030 ( 0.000 6.702 -9.752) 11.833 16.659 ( -0.000 -0.921 22.219) 22.238 17.089 ( -0.000 7.015 8.468) 10.996 ======================= Grid point 401 (119/146) ======================= q-point: ( 0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.000 0.000 25.023) 25.023 1.520 ( -0.000 0.000 25.023) 25.023 1.988 ( -0.000 0.000 32.469) 32.469 3.130 ( 0.000 -0.000 -7.968) 7.968 3.130 ( 0.000 -0.000 -7.968) 7.968 3.693 ( -0.000 0.000 10.943) 10.943 3.693 ( -0.000 0.000 10.943) 10.943 4.172 ( 0.000 -0.000 -13.122) 13.122 4.516 ( -0.000 0.000 0.610) 0.610 4.516 ( -0.000 0.000 0.610) 0.610 5.854 ( 0.000 -0.000 -3.891) 3.891 6.187 ( 0.000 -0.000 -6.182) 6.182 7.434 ( -0.000 0.000 18.789) 18.789 7.741 ( -0.000 0.000 1.542) 1.542 7.741 ( -0.000 0.000 1.542) 1.542 8.379 ( 0.000 -0.000 -9.714) 9.714 8.379 ( 0.000 -0.000 -9.714) 9.714 8.776 ( 0.000 -0.000 -8.174) 8.174 12.808 ( -0.000 0.000 22.743) 22.743 12.808 ( -0.000 0.000 22.743) 22.743 14.874 ( 0.000 -0.000 -14.956) 14.956 14.874 ( 0.000 -0.000 -14.956) 14.956 17.471 ( -0.000 0.000 0.898) 0.898 17.594 ( 0.000 -0.000 -1.299) 1.299 ======================= Grid point 402 (120/146) ======================= q-point: ( 0.36 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -14.362 -8.292 28.303) 32.804 1.858 ( 8.944 5.164 21.246) 23.623 2.276 ( 5.894 3.403 27.191) 28.030 3.000 ( -2.356 -1.360 -7.083) 7.588 3.211 ( 6.843 3.951 -11.232) 13.733 3.715 ( -4.338 -2.505 7.463) 8.988 3.834 ( 5.775 3.334 11.342) 13.157 4.005 ( -5.974 -3.449 -11.056) 13.031 4.440 ( -4.716 -2.723 1.012) 5.539 4.606 ( 5.785 3.340 -2.027) 6.981 5.726 ( -8.967 -5.177 -0.339) 10.359 6.107 ( -3.422 -1.976 -6.981) 8.021 7.344 ( -9.640 -5.566 9.541) 14.661 7.750 ( -1.026 -0.592 6.773) 6.876 7.918 ( 9.208 5.316 5.016) 11.756 8.283 ( -9.000 -5.196 -11.224) 15.297 8.340 ( 8.885 5.130 -11.240) 15.219 8.926 ( 13.251 7.651 -4.625) 15.985 12.768 ( -4.081 -2.356 21.520) 22.030 13.232 ( 12.568 7.256 24.656) 28.610 14.579 ( -9.568 -5.524 -18.901) 21.893 14.990 ( 9.747 5.627 -12.862) 17.091 17.447 ( -2.524 -1.457 0.122) 2.917 17.475 ( -8.465 -4.887 -0.531) 9.788 ======================= Grid point 403 (121/146) ======================= q-point: ( 0.45 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -9.014 -5.204 25.273) 27.333 2.172 ( 7.645 4.414 16.430) 18.651 2.538 ( 3.437 1.984 20.188) 20.574 2.939 ( 0.581 0.336 -6.316) 6.352 3.279 ( 6.128 3.538 -14.186) 15.853 3.567 ( -8.101 -4.677 -5.218) 10.711 3.829 ( -6.758 -3.901 0.403) 7.813 3.994 ( -0.209 -0.121 6.804) 6.808 4.414 ( 4.097 2.366 4.719) 6.682 4.724 ( 5.739 3.313 -4.088) 7.786 5.503 ( -10.466 -6.042 3.647) 12.623 5.953 ( -5.706 -3.294 -7.965) 10.337 7.211 ( -4.985 -2.878 0.837) 5.817 7.775 ( 0.054 0.031 6.756) 6.757 7.938 ( -12.637 -7.296 -13.887) 20.144 8.217 ( 11.640 6.720 9.152) 16.261 8.493 ( 8.208 4.739 -7.251) 11.933 9.199 ( 10.841 6.259 1.758) 12.641 12.893 ( 3.632 2.097 20.046) 20.480 13.674 ( 12.634 7.294 24.353) 28.388 14.207 ( -11.873 -6.855 -22.038) 25.955 15.113 ( 6.111 3.528 -7.661) 10.416 17.263 ( -8.721 -5.035 -1.460) 10.175 17.358 ( -4.645 -2.682 -2.484) 5.911 ======================= Grid point 404 (122/146) ======================= q-point: ( 0.55 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 2.896 1.672 13.537) 13.944 2.348 ( -0.291 -0.168 6.579) 6.588 2.644 ( -3.003 -1.734 8.535) 9.213 2.948 ( 3.585 2.070 -4.215) 5.907 3.321 ( 5.373 3.102 -12.512) 13.966 3.383 ( -2.763 -1.595 -8.009) 8.621 3.670 ( -9.269 -5.351 5.820) 12.183 3.928 ( -6.284 -3.628 6.298) 9.608 4.651 ( 11.228 6.482 2.849) 13.274 4.796 ( 2.987 1.724 -5.782) 6.733 5.338 ( -6.144 -3.547 7.004) 9.969 5.772 ( -5.361 -3.095 -7.905) 10.040 7.115 ( -2.567 -1.482 -4.974) 5.790 7.538 ( -14.054 -8.114 -15.261) 22.277 7.842 ( 2.482 1.433 4.766) 5.561 8.551 ( 11.288 6.517 11.507) 17.387 8.604 ( 4.146 2.394 -1.543) 5.030 9.426 ( 6.211 3.586 8.698) 11.273 13.175 ( 10.172 5.873 18.862) 22.220 13.773 ( -13.576 -7.838 -23.923) 28.602 14.099 ( 11.811 6.819 22.258) 26.103 15.149 ( -1.284 -0.741 0.235) 1.501 17.090 ( -4.355 -2.514 -4.882) 7.009 17.210 ( -5.639 -3.255 -6.706) 9.347 ======================= Grid point 405 (123/146) ======================= q-point: ( 0.64 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 14.957 8.635 0.056) 17.271 2.214 ( -9.893 -5.712 -7.136) 13.469 2.485 ( -10.853 -6.266 -7.316) 14.511 3.055 ( 5.428 3.134 2.213) 6.647 3.340 ( 1.031 0.595 -7.394) 7.489 3.382 ( 4.089 2.361 -3.309) 5.766 3.498 ( -8.179 -4.722 8.343) 12.602 3.846 ( -4.790 -2.765 8.107) 9.814 4.778 ( -1.082 -0.624 -6.780) 6.894 4.853 ( 6.365 3.675 -5.402) 9.122 5.354 ( 2.955 1.706 10.669) 11.202 5.631 ( -2.934 -1.694 -6.347) 7.195 7.034 ( -0.716 -0.413 -8.173) 8.215 7.129 ( -13.078 -7.551 -15.447) 21.602 7.934 ( 3.613 2.086 1.438) 4.413 8.673 ( 1.498 0.865 4.219) 4.560 8.839 ( 6.790 3.920 12.237) 14.534 9.595 ( 2.543 1.468 14.537) 14.831 13.294 ( -14.002 -8.084 -23.699) 28.689 13.585 ( 14.265 8.236 18.026) 24.418 14.479 ( 10.269 5.929 18.837) 22.259 15.052 ( -9.556 -5.517 8.126) 13.703 17.011 ( 0.933 0.539 -8.243) 8.313 17.027 ( -5.182 -2.992 -11.943) 13.358 ======================= Grid point 406 (124/146) ======================= q-point: (-0.27 0.27 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -12.660 -7.309 -12.616) 19.310 1.981 ( 18.671 10.780 -8.963) 23.349 2.117 ( -11.440 -6.605 -14.967) 19.963 3.138 ( -5.086 -2.936 7.002) 9.138 3.254 ( -0.915 -0.528 -0.461) 1.153 3.436 ( 0.418 0.241 2.221) 2.273 3.493 ( 3.245 1.874 0.645) 3.802 3.810 ( -2.856 -1.649 8.443) 9.064 4.678 ( -3.417 -1.973 -7.133) 8.152 4.901 ( 2.606 1.505 -8.167) 8.704 5.547 ( -2.249 -1.299 -3.751) 4.563 5.552 ( 7.854 4.535 7.823) 11.977 6.779 ( -8.964 -5.176 -14.024) 17.430 6.993 ( 2.329 1.345 -9.948) 10.305 8.006 ( 2.481 1.432 -1.873) 3.423 8.739 ( 1.111 0.641 8.480) 8.576 8.986 ( -1.193 -0.689 13.344) 13.415 9.733 ( 1.210 0.698 16.316) 16.375 12.830 ( -13.515 -7.803 -22.242) 27.171 14.058 ( 16.510 9.532 19.041) 26.945 14.794 ( 7.780 4.492 14.349) 16.929 14.824 ( -15.927 -9.195 13.996) 23.110 16.835 ( -3.512 -2.028 -17.465) 17.930 17.021 ( 4.557 2.631 -9.397) 10.770 ======================= Grid point 413 (125/146) ======================= q-point: ( 0.36 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -0.000 -5.465 26.226) 26.789 1.823 ( -0.000 -6.088 25.193) 25.918 2.470 ( -0.000 8.169 23.562) 24.938 2.997 ( 0.000 2.451 -9.108) 9.432 3.097 ( 0.000 3.844 -12.984) 13.541 3.749 ( 0.000 -9.978 -1.356) 10.070 3.883 ( -0.000 3.971 12.261) 12.888 3.961 ( 0.000 -1.822 -1.394) 2.294 4.474 ( 0.000 -4.363 -2.467) 5.012 4.547 ( 0.000 4.412 -1.756) 4.749 5.742 ( -0.000 -7.187 0.142) 7.188 6.065 ( 0.000 -4.038 -7.229) 8.280 7.402 ( -0.000 -16.213 12.375) 20.395 7.682 ( -0.000 -3.085 0.270) 3.097 7.888 ( 0.000 -19.851 -10.012) 22.233 8.120 ( -0.000 20.385 10.297) 22.838 8.658 ( 0.000 25.427 -9.947) 27.303 8.778 ( 0.000 7.547 -8.226) 11.164 12.830 ( -0.000 -13.545 22.989) 26.682 13.450 ( -0.000 20.639 24.684) 32.176 14.552 ( 0.000 -1.741 -20.596) 20.669 14.844 ( 0.000 8.057 -15.002) 17.029 17.443 ( -0.000 -4.100 0.196) 4.105 17.452 ( -0.000 -12.512 0.271) 12.515 ======================= Grid point 414 (126/146) ======================= q-point: ( 0.45 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -14.187 -7.444 28.289) 32.511 2.112 ( 12.941 -3.144 21.244) 25.073 2.668 ( -0.291 4.471 16.597) 17.191 2.927 ( -2.719 2.989 -8.866) 9.743 3.100 ( 5.831 1.582 -16.947) 17.992 3.539 ( -3.982 -12.031 -10.511) 16.464 3.928 ( -4.797 0.315 8.052) 9.378 4.054 ( 2.241 2.666 9.658) 10.267 4.393 ( 0.501 -2.716 0.062) 2.763 4.632 ( 4.840 3.890 -3.905) 7.335 5.612 ( -6.794 -7.101 2.693) 10.190 5.941 ( -3.267 -5.277 -7.959) 10.093 7.252 ( -5.297 -11.185 6.018) 13.762 7.602 ( 3.030 -16.606 -6.476) 18.080 7.855 ( 11.335 -8.613 3.283) 14.610 8.284 ( -9.861 17.123 -0.166) 19.760 8.682 ( -4.509 23.215 -0.932) 23.668 9.066 ( 13.796 12.508 -4.976) 19.276 12.886 ( 5.209 -11.390 22.602) 25.840 13.844 ( 3.410 20.516 23.898) 31.680 14.266 ( -13.723 0.362 -22.974) 26.763 14.951 ( 10.255 6.935 -13.359) 18.213 17.277 ( -4.362 -14.232 1.254) 14.938 17.365 ( -2.721 -6.341 -1.551) 7.073 ======================= Grid point 415 (127/146) ======================= q-point: ( 0.55 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -8.956 -5.468 23.675) 25.897 2.376 ( 4.294 -0.615 11.193) 12.005 2.671 ( -1.638 -8.541 -0.844) 8.737 2.911 ( 0.554 4.371 -1.788) 4.755 3.113 ( 7.488 -1.457 -12.539) 14.678 3.329 ( -2.408 -5.149 -9.012) 10.655 3.868 ( -8.854 1.694 7.342) 11.626 4.048 ( -5.487 -2.336 4.599) 7.531 4.535 ( 10.718 3.157 4.364) 11.996 4.710 ( 3.883 2.007 -5.647) 7.141 5.451 ( -6.878 -4.894 5.636) 10.151 5.770 ( -4.457 -4.706 -8.031) 10.320 7.111 ( -3.411 -6.428 0.136) 7.278 7.423 ( -0.040 -16.036 -9.655) 18.719 7.957 ( -0.358 0.064 7.118) 7.127 8.261 ( 3.369 2.316 -5.846) 7.134 8.917 ( -2.092 25.481 7.859) 26.747 9.365 ( 10.870 7.897 1.149) 13.485 13.077 ( 12.490 -8.620 21.892) 26.638 13.846 ( -17.103 -0.259 -24.384) 29.785 14.251 ( 3.749 19.291 21.496) 29.125 15.094 ( 6.796 4.385 -7.955) 11.344 17.076 ( -3.943 -11.531 -0.079) 12.187 17.210 ( -4.803 -7.488 -5.118) 10.263 ======================= Grid point 416 (128/146) ======================= q-point: ( 0.64 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.192 0.274 11.529) 11.739 2.219 ( -8.277 -12.734 -14.373) 20.911 2.590 ( -7.984 -0.808 -0.816) 8.066 2.988 ( 6.428 3.274 -0.591) 7.238 3.173 ( 8.504 -7.774 0.227) 11.524 3.254 ( 2.501 -0.665 -6.888) 7.358 3.762 ( -11.472 4.115 5.989) 13.580 3.972 ( -4.992 -0.760 6.167) 7.971 4.719 ( 1.068 -0.852 -6.802) 6.938 4.748 ( 7.895 2.793 -1.509) 8.509 5.395 ( -0.588 -1.351 8.907) 9.028 5.621 ( -2.869 -2.522 -6.760) 7.764 7.003 ( -2.642 -3.489 -3.611) 5.673 7.159 ( -8.012 -8.417 -11.992) 16.699 7.965 ( -3.043 5.835 -0.101) 6.582 8.374 ( 14.084 -12.613 5.200) 19.608 9.151 ( -5.040 23.032 7.576) 24.764 9.605 ( 7.622 3.143 8.454) 11.809 13.367 ( -9.207 -1.833 -12.348) 15.512 13.421 ( 9.729 -5.787 9.118) 14.536 14.616 ( 3.138 17.254 18.114) 25.212 15.144 ( -1.063 -0.072 0.228) 1.090 16.938 ( -0.273 -6.290 -3.687) 7.296 17.001 ( -5.580 -6.934 -9.906) 13.318 ======================= Grid point 417 (129/146) ======================= q-point: ( 0.73 0.36 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 12.198 3.697 -3.204) 13.142 1.838 ( -5.499 -12.927 -15.490) 20.912 2.316 ( -18.945 3.724 -12.056) 22.762 3.150 ( 6.415 1.824 4.078) 7.818 3.179 ( 1.702 -9.893 0.952) 10.084 3.320 ( 8.238 -1.989 -0.988) 8.532 3.650 ( -10.146 4.402 4.695) 12.015 3.940 ( -4.473 1.547 7.822) 9.142 4.650 ( -1.789 -2.466 -7.153) 7.775 4.832 ( 3.055 2.530 -6.773) 7.849 5.492 ( 3.852 -0.959 5.392) 6.696 5.555 ( 1.215 0.958 -1.292) 2.016 6.828 ( -10.146 -3.477 -10.032) 14.686 6.955 ( -2.032 1.919 -8.296) 8.754 7.976 ( 0.392 2.211 -3.033) 3.774 8.529 ( 13.567 -14.374 11.254) 22.745 9.271 ( -8.235 14.944 6.430) 18.234 9.792 ( 4.219 0.482 12.984) 13.661 12.919 ( -17.737 -0.069 -22.084) 28.325 13.833 ( 23.045 -6.766 20.658) 31.680 14.915 ( 2.016 14.205 13.480) 19.686 15.051 ( -9.971 -5.076 8.445) 14.018 16.774 ( -5.123 -4.174 -14.883) 16.284 16.903 ( 4.021 -0.754 -7.162) 8.248 ======================= Grid point 425 (130/146) ======================= q-point: ( 0.45 0.45 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.000 -4.852 27.148) 27.578 1.974 ( -0.000 -10.061 24.595) 26.573 2.819 ( -0.000 5.088 11.834) 12.881 2.847 ( 0.000 -10.291 -24.349) 26.434 2.988 ( 0.000 7.266 -7.761) 10.631 3.403 ( 0.000 -7.348 -8.496) 11.233 4.040 ( -0.000 -0.310 7.427) 7.433 4.100 ( -0.000 -0.018 8.667) 8.667 4.338 ( 0.000 -3.157 -0.456) 3.189 4.623 ( 0.000 5.803 -2.534) 6.332 5.616 ( -0.000 -7.045 2.815) 7.587 5.858 ( 0.000 -6.346 -8.389) 10.519 7.219 ( -0.000 -16.811 10.984) 20.082 7.351 ( 0.000 -17.168 -6.460) 18.343 7.737 ( -0.000 2.002 0.841) 2.171 8.621 ( -0.000 18.652 3.713) 19.018 8.820 ( 0.000 6.777 -8.159) 10.607 9.088 ( 0.000 27.166 -3.479) 27.388 12.849 ( -0.000 -13.967 23.173) 27.057 14.185 ( -0.000 22.696 22.677) 32.084 14.289 ( 0.000 4.143 -25.481) 25.816 14.820 ( 0.000 8.451 -14.821) 17.061 17.167 ( -0.000 -17.910 4.138) 18.382 17.301 ( 0.000 -9.358 -1.878) 9.544 ======================= Grid point 426 (131/146) ======================= q-point: ( 0.55 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -13.891 -9.545 26.199) 31.152 2.287 ( 12.770 -6.264 17.764) 22.757 2.505 ( -1.962 -17.761 -20.566) 27.245 2.957 ( 3.581 2.633 5.098) 6.763 2.999 ( -2.432 7.458 -7.025) 10.531 3.295 ( -3.185 -0.184 -7.578) 8.222 4.038 ( -3.672 -0.025 5.028) 6.226 4.074 ( -0.726 -6.397 -0.279) 6.444 4.431 ( 6.964 2.480 7.348) 10.423 4.671 ( 0.890 4.276 -2.952) 5.272 5.531 ( -4.388 -5.399 4.265) 8.160 5.726 ( -2.222 -5.217 -8.482) 10.203 7.092 ( -2.344 -13.053 7.260) 15.119 7.201 ( 2.666 -13.603 -4.576) 14.597 7.843 ( 8.038 -1.180 5.261) 9.678 8.492 ( -18.240 11.958 -10.068) 24.022 9.102 ( 13.807 11.639 3.337) 18.364 9.343 ( 1.307 22.521 -2.281) 22.674 12.923 ( 7.947 -13.457 22.969) 27.782 14.013 ( -16.196 5.584 -25.929) 31.077 14.547 ( 1.132 20.864 19.658) 28.689 14.928 ( 10.479 7.792 -13.506) 18.786 17.004 ( -2.063 -16.514 5.385) 17.492 17.159 ( -2.855 -10.718 -3.646) 11.676 ======================= Grid point 427 (132/146) ======================= q-point: ( 0.64 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -8.628 -7.760 20.469) 23.530 2.059 ( -5.066 -17.838 -22.455) 29.122 2.628 ( 11.525 -5.121 17.940) 21.930 2.933 ( -5.126 5.087 -14.302) 16.022 3.062 ( 2.341 0.522 7.121) 7.514 3.200 ( -1.770 1.044 -7.264) 7.549 3.990 ( -6.209 1.603 3.456) 7.284 4.015 ( 0.004 -3.803 0.805) 3.887 4.623 ( 8.158 0.801 3.164) 8.787 4.684 ( -0.633 1.917 -3.471) 4.015 5.456 ( -2.776 -2.443 6.706) 7.658 5.593 ( -2.303 -2.679 -7.721) 8.490 6.995 ( -1.711 -7.220 3.733) 8.306 7.083 ( -0.374 -8.711 -5.667) 10.399 8.016 ( 9.231 -5.384 11.049) 15.372 8.243 ( -12.411 7.705 -12.816) 19.433 9.443 ( 6.329 13.040 7.047) 16.117 9.530 ( 3.297 12.064 -2.219) 12.701 13.141 ( 15.753 -12.620 22.410) 30.160 13.589 ( -20.489 5.932 -24.949) 32.824 14.863 ( 1.095 16.778 15.126) 22.617 15.087 ( 7.459 5.206 -8.307) 12.318 16.861 ( -1.260 -11.532 3.806) 12.209 16.960 ( -4.938 -9.257 -6.284) 12.229 ======================= Grid point 428 (133/146) ======================= q-point: ( 0.73 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 1.136 -2.729 7.529) 8.089 1.697 ( -4.443 -11.407 -15.352) 19.635 2.624 ( -17.768 6.877 -7.569) 20.501 2.938 ( 13.045 -9.390 3.788) 16.514 3.143 ( 1.506 0.859 4.429) 4.756 3.191 ( 4.356 1.019 -3.397) 5.617 3.884 ( -9.942 1.858 2.446) 10.406 4.011 ( 1.076 -3.174 3.423) 4.791 4.648 ( -3.024 1.938 -2.590) 4.428 4.742 ( 5.319 0.528 -3.789) 6.552 5.480 ( 0.724 -0.489 5.729) 5.795 5.518 ( 1.086 -0.365 -3.973) 4.135 6.910 ( -6.188 -2.063 -1.481) 6.689 6.958 ( -1.920 -1.359 -5.600) 6.074 8.032 ( -7.467 4.545 -6.890) 11.130 8.235 ( 13.255 -10.905 10.724) 20.240 9.561 ( -7.041 12.697 -0.278) 14.522 9.743 ( 9.574 0.262 7.057) 11.897 13.148 ( -20.895 7.037 -21.702) 30.937 13.478 ( 21.705 -12.396 21.285) 32.830 15.089 ( 0.953 9.813 8.553) 13.052 15.150 ( -0.823 0.479 0.043) 0.953 16.752 ( -5.757 -3.767 -8.400) 10.858 16.798 ( 2.003 -4.501 -0.400) 4.943 ======================= Grid point 437 (134/146) ======================= q-point: ( 0.55 0.55 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.000 -12.668 20.638) 24.216 2.101 ( -0.000 -13.378 0.482) 13.387 2.205 ( 0.000 -15.885 -0.983) 15.915 2.998 ( 0.000 7.186 -0.483) 7.202 3.084 ( -0.000 6.192 0.964) 6.266 3.317 ( 0.000 5.028 -5.861) 7.722 3.950 ( 0.000 -11.069 -5.189) 12.225 4.071 ( -0.000 -2.191 0.999) 2.408 4.471 ( -0.000 3.548 10.546) 11.127 4.701 ( 0.000 3.896 -0.724) 3.963 5.543 ( -0.000 -4.572 3.782) 5.934 5.646 ( 0.000 -3.281 -8.657) 9.258 7.027 ( -0.000 -16.648 11.442) 20.201 7.031 ( 0.000 -10.382 -1.149) 10.446 7.815 ( -0.000 3.759 1.836) 4.184 8.833 ( 0.000 4.875 -8.246) 9.579 8.918 ( 0.000 13.753 -5.702) 14.888 9.570 ( 0.000 21.472 -0.802) 21.487 12.858 ( -0.000 -14.545 23.102) 27.299 14.085 ( 0.000 9.186 -27.399) 28.898 14.789 ( 0.000 10.451 -8.017) 13.171 14.857 ( -0.000 15.697 8.924) 18.056 16.901 ( -0.000 -16.609 9.370) 19.070 17.053 ( 0.000 -11.536 -2.473) 11.798 ======================= Grid point 438 (135/146) ======================= q-point: ( 0.64 0.55 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -2.675 -12.979 -15.207) 20.171 1.870 ( -11.128 -12.604 16.914) 23.849 2.394 ( 15.270 -11.693 17.996) 26.339 3.041 ( -3.291 8.307 -4.826) 10.155 3.130 ( -1.847 4.005 4.682) 6.432 3.264 ( -7.534 4.379 -6.414) 10.820 3.864 ( 5.950 -9.008 -4.236) 11.597 4.056 ( 0.708 -1.338 -2.489) 2.913 4.575 ( 1.987 0.583 8.520) 8.768 4.723 ( -1.112 2.792 0.817) 3.114 5.511 ( -1.906 -2.524 4.730) 5.690 5.560 ( -1.684 -0.205 -8.395) 8.565 6.949 ( 0.945 -12.601 10.197) 16.238 6.965 ( 1.684 -7.454 0.433) 7.654 7.905 ( 4.694 0.988 4.247) 6.407 8.548 ( -19.638 7.868 -11.251) 23.961 9.258 ( 17.917 6.234 -3.284) 19.253 9.720 ( -2.239 15.309 -3.937) 15.965 12.933 ( 8.833 -14.584 22.760) 28.438 13.849 ( -17.202 11.046 -25.340) 32.558 14.914 ( 10.949 8.383 -13.294) 19.154 15.064 ( 0.433 9.962 8.435) 13.061 16.806 ( -1.129 -12.977 10.629) 16.812 16.915 ( -2.930 -8.280 -1.222) 8.868 ======================= Grid point 449 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 1.092 -9.426) 9.489 1.995 ( -0.000 -14.089 15.593) 21.015 2.208 ( -0.000 -14.864 20.439) 25.272 3.121 ( 0.000 7.659 -3.480) 8.412 3.221 ( -0.000 3.738 4.107) 5.554 3.390 ( 0.000 6.518 -2.999) 7.174 3.647 ( 0.000 -10.679 -7.108) 12.829 3.980 ( 0.000 -3.776 -5.688) 6.827 4.628 ( -0.000 -0.708 9.219) 9.246 4.769 ( -0.000 2.231 3.536) 4.181 5.531 ( -0.000 -1.848 4.154) 4.546 5.538 ( 0.000 3.349 -8.867) 9.478 6.864 ( -0.000 -14.839 12.649) 19.499 6.913 ( -0.000 -3.877 4.640) 6.047 7.916 ( -0.000 3.692 2.099) 4.247 8.805 ( 0.000 2.843 -8.343) 8.814 9.042 ( 0.000 8.381 -9.223) 12.462 9.818 ( 0.000 9.050 -9.168) 12.882 12.852 ( -0.000 -15.182 22.717) 27.324 13.992 ( 0.000 14.893 -24.569) 28.730 14.794 ( 0.000 9.120 -14.607) 17.220 15.135 ( 0.000 -0.621 -0.267) 0.676 16.777 ( -0.000 -10.868 14.524) 18.141 16.890 ( -0.000 -3.345 4.144) 5.325 ======================= Grid point 534 (137/146) ======================= q-point: ( 0.36 0.36 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 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -0.000 0.000 22.473) 22.473 1.966 ( -0.000 0.000 22.473) 22.473 2.567 ( -0.000 0.000 29.298) 29.298 2.943 ( 0.000 -0.000 -11.911) 11.911 2.943 ( 0.000 -0.000 -11.911) 11.911 3.887 ( 0.000 -0.000 -17.356) 17.356 3.922 ( -0.000 0.000 13.047) 13.047 3.922 ( -0.000 0.000 13.047) 13.047 4.487 ( 0.000 -0.000 -3.983) 3.983 4.487 ( 0.000 -0.000 -3.983) 3.983 5.821 ( -0.000 0.000 0.212) 0.212 6.065 ( 0.000 -0.000 -6.629) 6.629 7.777 ( -0.000 0.000 17.730) 17.730 7.789 ( -0.000 0.000 3.747) 3.747 7.789 ( -0.000 0.000 3.747) 3.747 8.195 ( 0.000 -0.000 -9.671) 9.671 8.195 ( 0.000 -0.000 -9.671) 9.671 8.598 ( 0.000 -0.000 -10.899) 10.899 13.257 ( -0.000 0.000 24.776) 24.776 13.257 ( -0.000 0.000 24.776) 24.776 14.554 ( 0.000 -0.000 -19.122) 19.122 14.554 ( 0.000 -0.000 -19.122) 19.122 17.490 ( -0.000 0.000 1.142) 1.142 17.568 ( 0.000 -0.000 -1.461) 1.461 ======================= Grid point 535 (138/146) ======================= q-point: ( 0.45 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -11.481 -6.628 26.911) 29.999 2.226 ( 6.188 3.573 18.070) 19.432 2.755 ( 0.802 0.463 23.853) 23.871 2.833 ( -0.586 -0.339 -10.785) 10.806 2.946 ( 4.749 2.742 -16.562) 17.446 3.645 ( -8.899 -5.138 -15.390) 18.505 3.993 ( -2.067 -1.193 9.833) 10.118 4.067 ( 3.978 2.297 12.669) 13.476 4.418 ( -1.867 -1.078 -3.422) 4.044 4.526 ( 5.133 2.964 -6.583) 8.859 5.745 ( -6.760 -3.903 2.442) 8.179 5.975 ( -4.110 -2.373 -6.964) 8.427 7.464 ( -14.020 -8.094 4.761) 16.874 7.866 ( -3.769 -2.176 2.050) 4.810 8.006 ( 2.478 1.431 -0.449) 2.896 8.095 ( -1.634 -0.943 -4.003) 4.426 8.232 ( 11.159 6.442 1.877) 13.021 8.806 ( 18.321 10.578 -7.963) 22.604 13.204 ( -5.565 -3.213 24.639) 25.463 13.695 ( 12.366 7.139 24.401) 28.272 14.191 ( -11.243 -6.491 -22.379) 25.872 14.703 ( 13.289 7.672 -17.645) 23.384 17.449 ( -4.115 -2.376 0.136) 4.754 17.465 ( -7.664 -4.425 -0.537) 8.865 ======================= Grid point 536 (139/146) ======================= q-point: ( 0.55 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -13.667 -7.891 28.525) 32.600 2.431 ( 1.854 1.071 9.812) 10.043 2.791 ( 3.158 1.823 -8.360) 9.121 2.797 ( -4.396 -2.538 -2.894) 5.843 3.021 ( 8.082 4.666 -1.947) 9.533 3.359 ( -6.744 -3.893 -13.924) 15.954 3.949 ( -6.782 -3.916 9.183) 12.069 4.127 ( -4.433 -2.559 5.297) 7.366 4.483 ( 7.932 4.579 3.245) 9.717 4.609 ( 5.573 3.218 -8.040) 10.298 5.587 ( -8.260 -4.769 5.484) 11.003 5.809 ( -6.081 -3.511 -7.194) 10.053 7.220 ( -9.279 -5.357 0.817) 10.746 7.681 ( -14.125 -8.155 -13.440) 21.134 7.827 ( 0.391 0.226 -1.258) 1.336 8.399 ( 13.650 7.881 9.997) 18.665 8.487 ( 8.292 4.787 5.899) 11.246 9.186 ( 17.334 10.008 -2.876) 20.221 13.316 ( 1.800 1.040 24.583) 24.671 13.770 ( -12.823 -7.403 -24.346) 28.495 14.113 ( 11.472 6.623 22.289) 25.928 14.904 ( 12.694 7.329 -14.403) 20.550 17.253 ( -10.183 -5.879 0.295) 11.762 17.305 ( -7.719 -4.457 -3.152) 9.454 ======================= Grid point 537 (140/146) ======================= q-point: ( 0.64 0.36 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -9.882 -5.705 22.544) 25.268 2.333 ( -9.260 -5.346 -9.400) 14.237 2.578 ( -8.991 -5.191 -16.344) 19.362 2.920 ( 8.317 4.802 2.547) 9.936 3.214 ( 0.211 0.122 -8.899) 8.902 3.215 ( 7.865 4.541 2.774) 9.496 3.816 ( -9.343 -5.394 8.358) 13.647 4.038 ( -4.761 -2.748 4.367) 7.020 4.657 ( 3.021 1.744 -8.923) 9.581 4.685 ( 6.676 3.855 1.071) 7.783 5.485 ( -3.680 -2.125 8.435) 9.445 5.637 ( -4.789 -2.765 -6.260) 8.353 7.043 ( -6.047 -3.491 -2.397) 7.383 7.265 ( -14.662 -8.465 -13.774) 21.825 7.857 ( 2.785 1.608 -1.891) 3.730 8.675 ( 4.754 2.745 7.589) 9.367 8.760 ( 11.876 6.857 10.352) 17.182 9.537 ( 13.203 7.623 3.425) 15.625 13.308 ( -13.571 -7.835 -24.217) 28.845 13.593 ( 8.229 4.751 24.234) 26.030 14.486 ( 9.934 5.735 18.878) 22.090 15.073 ( 7.863 4.540 -8.336) 12.326 17.036 ( -8.228 -4.750 -0.862) 9.540 17.069 ( -9.647 -5.570 -8.348) 13.920 ======================= Grid point 546 (141/146) ======================= q-point: ( 0.45 0.45 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.000 -2.670 23.960) 24.108 2.250 ( -0.000 -2.711 20.275) 20.455 2.785 ( 0.000 2.232 -8.956) 9.230 2.797 ( 0.000 -0.502 -18.817) 18.823 2.913 ( -0.000 0.474 19.210) 19.216 3.528 ( 0.000 -10.704 -16.939) 20.037 4.101 ( -0.000 0.149 10.469) 10.470 4.122 ( -0.000 3.396 12.615) 13.064 4.384 ( 0.000 -3.183 -6.931) 7.627 4.473 ( 0.000 5.669 -6.155) 8.368 5.772 ( -0.000 -5.998 3.113) 6.758 5.931 ( 0.000 -5.152 -6.841) 8.564 7.622 ( -0.000 -16.564 11.356) 20.083 7.667 ( 0.000 -16.611 -4.446) 17.196 7.764 ( 0.000 -6.825 -0.652) 6.857 8.277 ( -0.000 17.863 3.010) 18.115 8.524 ( 0.000 27.689 -1.261) 27.718 8.598 ( 0.000 9.511 -10.811) 14.399 13.283 ( -0.000 -14.598 24.931) 28.890 13.908 ( -0.000 19.851 23.914) 31.080 14.135 ( 0.000 -4.393 -23.693) 24.096 14.525 ( 0.000 10.756 -19.070) 21.894 17.448 ( -0.000 -5.739 0.316) 5.747 17.454 ( -0.000 -9.583 -0.035) 9.583 ======================= Grid point 547 (142/146) ======================= q-point: ( 0.55 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -12.335 -7.504 26.918) 30.546 2.449 ( 4.355 -1.740 10.516) 11.514 2.636 ( 2.312 -6.264 -14.425) 15.896 2.785 ( 1.000 5.519 -14.658) 15.695 3.014 ( 0.438 -0.762 15.448) 15.473 3.299 ( -3.532 -6.429 -14.407) 16.167 4.093 ( -5.437 -1.661 8.389) 10.134 4.185 ( -2.090 -4.083 1.034) 4.702 4.406 ( 7.000 3.527 3.770) 8.698 4.527 ( 2.802 6.542 -6.997) 9.980 5.684 ( -5.161 -6.471 5.021) 9.681 5.798 ( -3.262 -6.377 -7.047) 10.048 7.355 ( -12.269 -9.074 5.476) 16.213 7.469 ( 1.802 -18.053 -6.831) 19.386 7.984 ( 17.265 -8.086 9.200) 21.168 8.168 ( -16.737 13.791 -9.677) 23.748 8.779 ( 0.760 25.780 8.672) 27.210 8.943 ( 19.011 13.358 -8.013) 24.577 13.337 ( 4.813 -12.578 25.125) 28.507 13.810 ( -13.732 -1.464 -25.061) 28.614 14.277 ( 2.788 19.011 21.767) 29.034 14.653 ( 13.320 9.770 -18.193) 24.574 17.304 ( -5.219 -11.306 1.576) 12.552 17.335 ( -4.693 -8.425 -1.656) 9.785 ======================= Grid point 548 (143/146) ======================= q-point: ( 0.64 0.45 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 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -14.103 -9.959 26.734) 31.824 2.249 ( -4.502 -15.190 -21.353) 26.588 2.658 ( -8.737 6.067 -9.635) 14.352 2.814 ( 10.354 1.596 3.281) 10.978 3.131 ( 5.279 -1.337 8.993) 10.513 3.146 ( -0.589 -0.989 -9.948) 10.015 4.002 ( -8.604 -1.287 6.212) 10.690 4.097 ( -2.146 -3.563 -0.212) 4.165 4.580 ( 2.014 4.643 -7.663) 9.183 4.608 ( 7.379 3.041 3.426) 8.685 5.575 ( -4.575 -4.597 7.452) 9.878 5.632 ( -3.675 -5.372 -6.499) 9.198 7.129 ( -9.074 -5.040 1.925) 10.557 7.251 ( -4.772 -13.071 -8.492) 16.301 7.961 ( -10.794 10.502 -6.120) 16.256 8.295 ( 19.702 -11.884 9.233) 24.792 9.065 ( -2.407 24.652 6.525) 25.614 9.351 ( 18.874 9.388 -1.994) 21.174 13.377 ( -16.786 -0.591 -24.688) 29.860 13.527 ( 11.973 -10.361 25.110) 29.685 14.627 ( 2.596 16.812 18.201) 24.914 14.877 ( 13.503 8.427 -14.862) 21.777 17.100 ( -7.137 -10.120 2.429) 12.619 17.109 ( -8.581 -9.337 -5.646) 13.881 ======================= Grid point 558 (144/146) ======================= q-point: ( 0.55 0.55 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 -13.517 -18.062) 22.560 2.372 ( -0.000 -8.611 16.215) 18.360 2.466 ( -0.000 -5.096 14.646) 15.508 2.786 ( 0.000 9.255 -7.865) 12.146 3.098 ( -0.000 -1.814 13.375) 13.497 3.209 ( 0.000 -0.421 -12.067) 12.074 4.108 ( 0.000 -8.595 -6.530) 10.794 4.148 ( -0.000 -4.170 3.108) 5.200 4.436 ( -0.000 6.197 9.588) 11.417 4.555 ( 0.000 8.809 -4.312) 9.808 5.691 ( -0.000 -7.080 5.210) 8.791 5.709 ( 0.000 -7.592 -7.382) 10.589 7.258 ( 0.000 -14.357 -3.463) 14.769 7.438 ( -0.000 -17.126 12.409) 21.149 7.776 ( -0.000 1.400 3.044) 3.351 8.572 ( 0.000 16.714 -7.558) 18.343 8.648 ( 0.000 8.319 -9.780) 12.840 9.110 ( -0.000 25.816 4.306) 26.173 13.303 ( -0.000 -15.105 24.915) 29.136 13.800 ( 0.000 2.354 -26.325) 26.430 14.498 ( 0.000 11.233 -17.244) 20.580 14.588 ( -0.000 19.523 17.756) 26.390 17.240 ( -0.000 -13.215 3.698) 13.723 17.270 ( 0.000 -11.211 -1.387) 11.297 ======================= Grid point 668 (145/146) ======================= q-point: ( 0.45 0.45 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 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -0.000 0.000 19.271) 19.271 2.357 ( -0.000 0.000 19.271) 19.271 2.685 ( 0.000 -0.000 -15.686) 15.686 2.685 ( 0.000 -0.000 -15.686) 15.686 3.081 ( -0.000 0.000 25.574) 25.574 3.523 ( 0.000 -0.000 -21.533) 21.533 4.164 ( -0.000 0.000 12.272) 12.272 4.164 ( -0.000 0.000 12.272) 12.272 4.365 ( 0.000 -0.000 -8.886) 8.886 4.365 ( 0.000 -0.000 -8.886) 8.886 5.857 ( -0.000 0.000 3.570) 3.570 5.947 ( 0.000 -0.000 -5.776) 5.776 7.884 ( -0.000 0.000 6.339) 6.339 7.884 ( -0.000 0.000 6.339) 6.339 8.024 ( 0.000 -0.000 -8.476) 8.476 8.024 ( 0.000 -0.000 -8.476) 8.476 8.093 ( -0.000 0.000 15.890) 15.890 8.369 ( 0.000 -0.000 -13.531) 13.531 13.721 ( -0.000 0.000 24.489) 24.489 13.721 ( -0.000 0.000 24.489) 24.489 14.163 ( 0.000 -0.000 -22.435) 22.435 14.163 ( 0.000 -0.000 -22.435) 22.435 17.514 ( -0.000 0.000 1.342) 1.342 17.540 ( 0.000 -0.000 -1.464) 1.464 ======================= Grid point 669 (146/146) ======================= q-point: ( 0.55 0.45 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 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -6.590 -3.805 22.903) 24.134 2.520 ( 0.596 0.344 8.362) 8.391 2.596 ( 1.394 0.805 -19.974) 20.038 2.605 ( 3.119 1.801 -8.729) 9.442 3.173 ( -4.219 -2.436 20.654) 21.221 3.302 ( -5.871 -3.390 -20.130) 21.241 4.193 ( -4.016 -2.319 9.635) 10.693 4.248 ( -2.532 -1.462 0.438) 2.956 4.349 ( 6.247 3.607 1.922) 7.465 4.367 ( 5.164 2.981 -9.681) 11.370 5.817 ( -5.482 -3.165 5.117) 8.140 5.855 ( -4.655 -2.688 -5.592) 7.756 7.558 ( -16.518 -9.537 5.593) 19.877 7.819 ( -3.486 -2.012 -4.463) 6.010 7.834 ( -12.774 -7.375 -11.312) 18.588 8.196 ( 13.613 7.859 7.706) 17.506 8.384 ( 10.080 5.820 11.402) 16.294 8.638 ( 22.238 12.839 -9.449) 27.362 13.674 ( -5.433 -3.137 24.919) 25.696 13.750 ( -12.262 -7.079 -24.274) 28.102 14.135 ( 11.167 6.447 22.319) 25.776 14.335 ( 15.708 9.069 -21.378) 28.036 17.452 ( -6.056 -3.496 0.132) 6.994 17.455 ( -6.406 -3.699 -0.442) 7.411 =================== 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 3/31944 10.0 866.574 866.574 1416.002 0.000 -0.000 -0.000 3/31944 20.0 218.707 218.707 351.037 0.000 -0.000 -0.000 3/31944 30.0 95.947 95.947 149.792 0.000 -0.000 -0.000 3/31944 40.0 55.876 55.876 85.754 0.000 -0.000 -0.000 3/31944 50.0 37.805 37.805 57.339 0.000 -0.000 -0.000 3/31944 60.0 27.958 27.958 42.047 0.000 -0.000 -0.000 3/31944 70.0 21.932 21.932 32.778 0.000 -0.000 -0.000 3/31944 80.0 17.946 17.946 26.689 0.000 -0.000 -0.000 3/31944 90.0 15.158 15.158 22.450 0.000 -0.000 -0.000 3/31944 100.0 13.120 13.120 19.364 0.000 -0.000 -0.000 3/31944 110.0 11.577 11.577 17.035 0.000 -0.000 -0.000 3/31944 120.0 10.375 10.375 15.224 0.000 -0.000 -0.000 3/31944 130.0 9.415 9.415 13.780 0.000 -0.000 -0.000 3/31944 140.0 8.631 8.631 12.604 0.000 -0.000 -0.000 3/31944 150.0 7.979 7.979 11.627 0.000 -0.000 -0.000 3/31944 160.0 7.428 7.428 10.803 0.000 -0.000 -0.000 3/31944 170.0 6.955 6.955 10.097 0.000 -0.000 -0.000 3/31944 180.0 6.544 6.544 9.486 0.000 -0.000 -0.000 3/31944 190.0 6.184 6.184 8.950 0.000 -0.000 -0.000 3/31944 200.0 5.865 5.865 8.476 0.000 -0.000 -0.000 3/31944 210.0 5.579 5.579 8.054 0.000 -0.000 -0.000 3/31944 220.0 5.323 5.323 7.674 0.000 -0.000 -0.000 3/31944 230.0 5.090 5.090 7.331 0.000 -0.000 -0.000 3/31944 240.0 4.878 4.878 7.019 0.000 -0.000 -0.000 3/31944 250.0 4.684 4.684 6.734 0.000 -0.000 -0.000 3/31944 260.0 4.506 4.506 6.472 0.000 -0.000 -0.000 3/31944 270.0 4.341 4.341 6.230 0.000 -0.000 -0.000 3/31944 280.0 4.188 4.188 6.007 0.000 -0.000 -0.000 3/31944 290.0 4.046 4.046 5.799 0.000 -0.000 -0.000 3/31944 300.0 3.914 3.914 5.606 0.000 -0.000 -0.000 3/31944 310.0 3.790 3.790 5.426 0.000 -0.000 -0.000 3/31944 320.0 3.674 3.674 5.257 0.000 -0.000 -0.000 3/31944 330.0 3.565 3.565 5.098 0.000 -0.000 -0.000 3/31944 340.0 3.462 3.462 4.949 0.000 -0.000 -0.000 3/31944 350.0 3.365 3.365 4.809 0.000 -0.000 -0.000 3/31944 360.0 3.274 3.274 4.677 0.000 -0.000 -0.000 3/31944 370.0 3.187 3.187 4.551 0.000 -0.000 -0.000 3/31944 380.0 3.105 3.105 4.432 0.000 -0.000 -0.000 3/31944 390.0 3.027 3.027 4.320 0.000 -0.000 -0.000 3/31944 400.0 2.953 2.953 4.213 0.000 -0.000 -0.000 3/31944 410.0 2.882 2.882 4.111 0.000 -0.000 -0.000 3/31944 420.0 2.815 2.815 4.014 0.000 -0.000 -0.000 3/31944 430.0 2.751 2.751 3.922 0.000 -0.000 -0.000 3/31944 440.0 2.690 2.690 3.833 0.000 -0.000 -0.000 3/31944 450.0 2.631 2.631 3.749 0.000 -0.000 -0.000 3/31944 460.0 2.575 2.575 3.668 0.000 -0.000 -0.000 3/31944 470.0 2.521 2.521 3.591 0.000 -0.000 -0.000 3/31944 480.0 2.470 2.470 3.517 0.000 -0.000 -0.000 3/31944 490.0 2.420 2.420 3.446 0.000 -0.000 -0.000 3/31944 500.0 2.372 2.372 3.377 0.000 -0.000 -0.000 3/31944 510.0 2.327 2.327 3.312 0.000 -0.000 -0.000 3/31944 520.0 2.283 2.283 3.249 0.000 -0.000 -0.000 3/31944 530.0 2.240 2.240 3.188 0.000 -0.000 -0.000 3/31944 540.0 2.199 2.199 3.129 0.000 -0.000 -0.000 3/31944 550.0 2.160 2.160 3.073 0.000 -0.000 -0.000 3/31944 560.0 2.122 2.122 3.018 0.000 -0.000 -0.000 3/31944 570.0 2.085 2.085 2.966 0.000 -0.000 -0.000 3/31944 580.0 2.050 2.050 2.915 0.000 -0.000 -0.000 3/31944 590.0 2.016 2.016 2.866 0.000 -0.000 -0.000 3/31944 600.0 1.982 1.982 2.819 0.000 -0.000 -0.000 3/31944 610.0 1.950 1.950 2.773 0.000 -0.000 -0.000 3/31944 620.0 1.919 1.919 2.728 0.000 -0.000 -0.000 3/31944 630.0 1.889 1.889 2.685 0.000 -0.000 -0.000 3/31944 640.0 1.860 1.860 2.644 0.000 -0.000 -0.000 3/31944 650.0 1.832 1.832 2.603 0.000 -0.000 -0.000 3/31944 660.0 1.804 1.804 2.564 0.000 -0.000 -0.000 3/31944 670.0 1.778 1.778 2.526 0.000 -0.000 -0.000 3/31944 680.0 1.752 1.752 2.489 0.000 -0.000 -0.000 3/31944 690.0 1.727 1.727 2.453 0.000 -0.000 -0.000 3/31944 700.0 1.702 1.702 2.419 0.000 -0.000 -0.000 3/31944 710.0 1.679 1.679 2.385 0.000 -0.000 -0.000 3/31944 720.0 1.656 1.656 2.352 0.000 -0.000 -0.000 3/31944 730.0 1.633 1.633 2.320 0.000 -0.000 -0.000 3/31944 740.0 1.611 1.611 2.289 0.000 -0.000 -0.000 3/31944 750.0 1.590 1.590 2.258 0.000 -0.000 -0.000 3/31944 760.0 1.569 1.569 2.229 0.000 -0.000 -0.000 3/31944 770.0 1.549 1.549 2.200 0.000 -0.000 -0.000 3/31944 780.0 1.529 1.529 2.172 0.000 -0.000 -0.000 3/31944 790.0 1.510 1.510 2.144 0.000 -0.000 -0.000 3/31944 800.0 1.491 1.491 2.118 0.000 -0.000 -0.000 3/31944 810.0 1.473 1.473 2.092 0.000 -0.000 -0.000 3/31944 820.0 1.455 1.455 2.066 0.000 -0.000 -0.000 3/31944 830.0 1.438 1.438 2.042 0.000 -0.000 -0.000 3/31944 840.0 1.421 1.421 2.017 0.000 -0.000 -0.000 3/31944 850.0 1.404 1.404 1.994 0.000 -0.000 -0.000 3/31944 860.0 1.388 1.388 1.971 0.000 -0.000 -0.000 3/31944 870.0 1.372 1.372 1.948 0.000 -0.000 -0.000 3/31944 880.0 1.357 1.357 1.926 0.000 -0.000 -0.000 3/31944 890.0 1.342 1.342 1.905 0.000 -0.000 -0.000 3/31944 900.0 1.327 1.327 1.883 0.000 -0.000 -0.000 3/31944 910.0 1.312 1.312 1.863 0.000 -0.000 -0.000 3/31944 920.0 1.298 1.298 1.843 0.000 -0.000 -0.000 3/31944 930.0 1.284 1.284 1.823 0.000 -0.000 -0.000 3/31944 940.0 1.271 1.271 1.804 0.000 -0.000 -0.000 3/31944 950.0 1.257 1.257 1.785 0.000 -0.000 -0.000 3/31944 960.0 1.244 1.244 1.766 0.000 -0.000 -0.000 3/31944 970.0 1.232 1.232 1.748 0.000 -0.000 -0.000 3/31944 980.0 1.219 1.219 1.730 0.000 -0.000 -0.000 3/31944 990.0 1.207 1.207 1.713 0.000 -0.000 -0.000 3/31944 1000.0 1.195 1.195 1.696 0.000 -0.000 -0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:09:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|