----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:46:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.851046489999999 -6.149959084999999 0.000000000000000 b 2.851046489999999 6.149959084999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.599228149999999 Atomic positions (fractional): *1 Cl 0.75558503237536 0.24441496762464 0.25000000000000 35.453 2 Cl 0.24441496762464 0.75558503237536 0.75000000000000 35.453 *3 Bi 0.41615954647701 0.58384045352299 0.25000000000000 208.980 4 Bi 0.58384045352299 0.41615954647701 0.75000000000000 208.980 *5 Sr 0.88989361685311 0.11010638314689 0.75000000000000 87.620 6 Sr 0.11010638314689 0.88989361685311 0.25000000000000 87.620 *7 O 0.73600135800469 0.73600135800469 0.00000000000000 15.999 8 O 0.73600135800469 0.73600135800469 0.50000000000000 15.999 9 O 0.26399864199531 0.26399864199531 0.50000000000000 15.999 10 O 0.26399864199531 0.26399864199531 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.702092979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.299918169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.599228149999999 Atomic positions (fractional): *1 Cl 0.00000000000000 0.24441496762464 0.25000000000000 35.453 > 1 2 Cl 0.50000000000000 0.25558503237536 0.75000000000000 35.453 > 2 3 Cl 0.50000000000000 0.74441496762464 0.25000000000000 35.453 > 1 4 Cl 0.00000000000000 0.75558503237536 0.75000000000000 35.453 > 2 *5 Bi 0.50000000000000 0.08384045352299 0.25000000000000 208.980 > 3 6 Bi 0.00000000000000 0.41615954647701 0.75000000000000 208.980 > 4 7 Bi 0.00000000000000 0.58384045352299 0.25000000000000 208.980 > 3 8 Bi 0.50000000000000 0.91615954647701 0.75000000000000 208.980 > 4 *9 Sr 0.00000000000000 0.11010638314689 0.75000000000000 87.620 > 5 10 Sr 0.50000000000000 0.38989361685311 0.25000000000000 87.620 > 6 11 Sr 0.50000000000000 0.61010638314689 0.75000000000000 87.620 > 5 12 Sr 0.00000000000000 0.88989361685311 0.25000000000000 87.620 > 6 *13 O 0.73600135800469 0.00000000000000 0.00000000000000 15.999 > 7 14 O 0.73600135800469 0.00000000000000 0.50000000000000 15.999 > 8 15 O 0.26399864199531 0.00000000000000 0.50000000000000 15.999 > 9 16 O 0.26399864199531 0.00000000000000 0.00000000000000 15.999 > 10 17 O 0.23600135800469 0.50000000000000 0.00000000000000 15.999 > 7 18 O 0.23600135800469 0.50000000000000 0.50000000000000 15.999 > 8 19 O 0.76399864199531 0.50000000000000 0.50000000000000 15.999 > 9 20 O 0.76399864199531 0.50000000000000 0.00000000000000 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.404185959999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.299918169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.797684449999998 Atomic positions (fractional): *1 Cl 0.00000000000000 0.24441496762464 0.08333333333333 35.453 > 1 2 Cl 0.50000000000000 0.24441496762464 0.08333333333333 35.453 > 1 3 Cl 0.00000000000000 0.24441496762464 0.41666666666667 35.453 > 1 4 Cl 0.50000000000000 0.24441496762464 0.41666666666667 35.453 > 1 5 Cl 0.00000000000000 0.24441496762464 0.75000000000000 35.453 > 1 6 Cl 0.50000000000000 0.24441496762464 0.75000000000000 35.453 > 1 7 Cl 0.25000000000000 0.25558503237536 0.25000000000000 35.453 > 2 8 Cl 0.75000000000000 0.25558503237536 0.25000000000000 35.453 > 2 9 Cl 0.25000000000000 0.25558503237536 0.58333333333333 35.453 > 2 10 Cl 0.75000000000000 0.25558503237536 0.58333333333333 35.453 > 2 11 Cl 0.25000000000000 0.25558503237536 0.91666666666667 35.453 > 2 12 Cl 0.75000000000000 0.25558503237536 0.91666666666667 35.453 > 2 13 Cl 0.25000000000000 0.74441496762464 0.08333333333333 35.453 > 1 14 Cl 0.75000000000000 0.74441496762464 0.08333333333333 35.453 > 1 15 Cl 0.25000000000000 0.74441496762464 0.41666666666667 35.453 > 1 16 Cl 0.75000000000000 0.74441496762464 0.41666666666667 35.453 > 1 17 Cl 0.25000000000000 0.74441496762464 0.75000000000000 35.453 > 1 18 Cl 0.75000000000000 0.74441496762464 0.75000000000000 35.453 > 1 19 Cl 0.00000000000000 0.75558503237536 0.25000000000000 35.453 > 2 20 Cl 0.50000000000000 0.75558503237536 0.25000000000000 35.453 > 2 21 Cl 0.00000000000000 0.75558503237536 0.58333333333333 35.453 > 2 22 Cl 0.50000000000000 0.75558503237536 0.58333333333333 35.453 > 2 23 Cl 0.00000000000000 0.75558503237536 0.91666666666667 35.453 > 2 24 Cl 0.50000000000000 0.75558503237536 0.91666666666667 35.453 > 2 *25 Bi 0.25000000000000 0.08384045352299 0.08333333333333 208.980 > 3 26 Bi 0.75000000000000 0.08384045352299 0.08333333333333 208.980 > 3 27 Bi 0.25000000000000 0.08384045352299 0.41666666666667 208.980 > 3 28 Bi 0.75000000000000 0.08384045352299 0.41666666666667 208.980 > 3 29 Bi 0.25000000000000 0.08384045352299 0.75000000000000 208.980 > 3 30 Bi 0.75000000000000 0.08384045352299 0.75000000000000 208.980 > 3 31 Bi 0.00000000000000 0.41615954647701 0.25000000000000 208.980 > 4 32 Bi 0.50000000000000 0.41615954647701 0.25000000000000 208.980 > 4 33 Bi 0.00000000000000 0.41615954647701 0.58333333333333 208.980 > 4 34 Bi 0.50000000000000 0.41615954647701 0.58333333333333 208.980 > 4 35 Bi 0.00000000000000 0.41615954647701 0.91666666666667 208.980 > 4 36 Bi 0.50000000000000 0.41615954647701 0.91666666666667 208.980 > 4 37 Bi 0.00000000000000 0.58384045352299 0.08333333333333 208.980 > 3 38 Bi 0.50000000000000 0.58384045352299 0.08333333333333 208.980 > 3 39 Bi 0.00000000000000 0.58384045352299 0.41666666666667 208.980 > 3 40 Bi 0.50000000000000 0.58384045352299 0.41666666666667 208.980 > 3 41 Bi 0.00000000000000 0.58384045352299 0.75000000000000 208.980 > 3 42 Bi 0.50000000000000 0.58384045352299 0.75000000000000 208.980 > 3 43 Bi 0.25000000000000 0.91615954647701 0.25000000000000 208.980 > 4 44 Bi 0.75000000000000 0.91615954647701 0.25000000000000 208.980 > 4 45 Bi 0.25000000000000 0.91615954647701 0.58333333333333 208.980 > 4 46 Bi 0.75000000000000 0.91615954647701 0.58333333333333 208.980 > 4 47 Bi 0.25000000000000 0.91615954647701 0.91666666666667 208.980 > 4 48 Bi 0.75000000000000 0.91615954647701 0.91666666666667 208.980 > 4 *49 Sr 0.00000000000000 0.11010638314689 0.25000000000000 87.620 > 5 50 Sr 0.50000000000000 0.11010638314689 0.25000000000000 87.620 > 5 51 Sr 0.00000000000000 0.11010638314689 0.58333333333333 87.620 > 5 52 Sr 0.50000000000000 0.11010638314689 0.58333333333333 87.620 > 5 53 Sr 0.00000000000000 0.11010638314689 0.91666666666667 87.620 > 5 54 Sr 0.50000000000000 0.11010638314689 0.91666666666667 87.620 > 5 55 Sr 0.25000000000000 0.38989361685311 0.08333333333333 87.620 > 6 56 Sr 0.75000000000000 0.38989361685311 0.08333333333333 87.620 > 6 57 Sr 0.25000000000000 0.38989361685311 0.41666666666667 87.620 > 6 58 Sr 0.75000000000000 0.38989361685311 0.41666666666667 87.620 > 6 59 Sr 0.25000000000000 0.38989361685311 0.75000000000000 87.620 > 6 60 Sr 0.75000000000000 0.38989361685311 0.75000000000000 87.620 > 6 61 Sr 0.25000000000000 0.61010638314689 0.25000000000000 87.620 > 5 62 Sr 0.75000000000000 0.61010638314689 0.25000000000000 87.620 > 5 63 Sr 0.25000000000000 0.61010638314689 0.58333333333333 87.620 > 5 64 Sr 0.75000000000000 0.61010638314689 0.58333333333333 87.620 > 5 65 Sr 0.25000000000000 0.61010638314689 0.91666666666667 87.620 > 5 66 Sr 0.75000000000000 0.61010638314689 0.91666666666667 87.620 > 5 67 Sr 0.00000000000000 0.88989361685311 0.08333333333333 87.620 > 6 68 Sr 0.50000000000000 0.88989361685311 0.08333333333333 87.620 > 6 69 Sr 0.00000000000000 0.88989361685311 0.41666666666667 87.620 > 6 70 Sr 0.50000000000000 0.88989361685311 0.41666666666667 87.620 > 6 71 Sr 0.00000000000000 0.88989361685311 0.75000000000000 87.620 > 6 72 Sr 0.50000000000000 0.88989361685311 0.75000000000000 87.620 > 6 *73 O 0.36800067900234 0.00000000000000 0.00000000000000 15.999 > 7 74 O 0.86800067900234 0.00000000000000 0.00000000000000 15.999 > 7 75 O 0.36800067900234 0.00000000000000 0.33333333333333 15.999 > 7 76 O 0.86800067900234 0.00000000000000 0.33333333333333 15.999 > 7 77 O 0.36800067900234 0.00000000000000 0.66666666666667 15.999 > 7 78 O 0.86800067900234 0.00000000000000 0.66666666666667 15.999 > 7 79 O 0.36800067900234 0.00000000000000 0.16666666666667 15.999 > 8 80 O 0.86800067900234 0.00000000000000 0.16666666666667 15.999 > 8 81 O 0.36800067900234 0.00000000000000 0.50000000000000 15.999 > 8 82 O 0.86800067900234 0.00000000000000 0.50000000000000 15.999 > 8 83 O 0.36800067900234 0.00000000000000 0.83333333333333 15.999 > 8 84 O 0.86800067900234 0.00000000000000 0.83333333333333 15.999 > 8 85 O 0.13199932099766 0.00000000000000 0.16666666666667 15.999 > 9 86 O 0.63199932099766 0.00000000000000 0.16666666666667 15.999 > 9 87 O 0.13199932099766 0.00000000000000 0.50000000000000 15.999 > 9 88 O 0.63199932099766 0.00000000000000 0.50000000000000 15.999 > 9 89 O 0.13199932099766 0.00000000000000 0.83333333333333 15.999 > 9 90 O 0.63199932099766 0.00000000000000 0.83333333333333 15.999 > 9 91 O 0.13199932099766 0.00000000000000 0.00000000000000 15.999 > 10 92 O 0.63199932099766 0.00000000000000 0.00000000000000 15.999 > 10 93 O 0.13199932099766 0.00000000000000 0.33333333333333 15.999 > 10 94 O 0.63199932099766 0.00000000000000 0.33333333333333 15.999 > 10 95 O 0.13199932099766 0.00000000000000 0.66666666666667 15.999 > 10 96 O 0.63199932099766 0.00000000000000 0.66666666666667 15.999 > 10 97 O 0.11800067900234 0.50000000000000 0.00000000000000 15.999 > 7 98 O 0.61800067900234 0.50000000000000 0.00000000000000 15.999 > 7 99 O 0.11800067900234 0.50000000000000 0.33333333333333 15.999 > 7 100 O 0.61800067900234 0.50000000000000 0.33333333333333 15.999 > 7 101 O 0.11800067900234 0.50000000000000 0.66666666666667 15.999 > 7 102 O 0.61800067900234 0.50000000000000 0.66666666666667 15.999 > 7 103 O 0.11800067900234 0.50000000000000 0.16666666666667 15.999 > 8 104 O 0.61800067900234 0.50000000000000 0.16666666666667 15.999 > 8 105 O 0.11800067900234 0.50000000000000 0.50000000000000 15.999 > 8 106 O 0.61800067900234 0.50000000000000 0.50000000000000 15.999 > 8 107 O 0.11800067900234 0.50000000000000 0.83333333333333 15.999 > 8 108 O 0.61800067900234 0.50000000000000 0.83333333333333 15.999 > 8 109 O 0.38199932099766 0.50000000000000 0.16666666666667 15.999 > 9 110 O 0.88199932099766 0.50000000000000 0.16666666666667 15.999 > 9 111 O 0.38199932099766 0.50000000000000 0.50000000000000 15.999 > 9 112 O 0.88199932099766 0.50000000000000 0.50000000000000 15.999 > 9 113 O 0.38199932099766 0.50000000000000 0.83333333333333 15.999 > 9 114 O 0.88199932099766 0.50000000000000 0.83333333333333 15.999 > 9 115 O 0.38199932099766 0.50000000000000 0.00000000000000 15.999 > 10 116 O 0.88199932099766 0.50000000000000 0.00000000000000 15.999 > 10 117 O 0.38199932099766 0.50000000000000 0.33333333333333 15.999 > 10 118 O 0.88199932099766 0.50000000000000 0.33333333333333 15.999 > 10 119 O 0.38199932099766 0.50000000000000 0.66666666666667 15.999 > 10 120 O 0.88199932099766 0.50000000000000 0.66666666666667 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1908609 0.0000000 0.0000000 0.0000000 3.9667752 0.0000000 0.0000000 0.0000000 4.7099430 -------------------------- Born effective charges -------------------------- 1 Cl -1.5544842 0.0000000 0.0000000 0.0000000 -1.4415704 0.0000000 0.0000000 0.0000000 -1.5787948 2 Cl -1.5544842 0.0000000 0.0000000 0.0000000 -1.4415704 0.0000000 0.0000000 0.0000000 -1.5787948 3 Bi 3.0321627 0.0000000 0.0000000 0.0000000 2.5150433 0.0000000 0.0000000 0.0000000 4.8916456 4 Bi 3.0321627 0.0000000 0.0000000 0.0000000 2.5150433 0.0000000 0.0000000 0.0000000 4.8916456 5 Sr 3.1248467 0.0000000 0.0000000 0.0000000 2.4325655 0.0000000 0.0000000 0.0000000 2.4930389 6 Sr 3.1248467 0.0000000 0.0000000 0.0000000 2.4325655 0.0000000 0.0000000 0.0000000 2.4930389 7 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 -0.3201837 0.0000000 -1.0126366 -2.9029449 8 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 0.3201837 0.0000000 1.0126366 -2.9029449 9 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 0.3201837 0.0000000 1.0126366 -2.9029449 10 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 -0.3201837 0.0000000 -1.0126366 -2.9029449 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (106, 106), data: True |-- (124, 124), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (158, 156), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.771 Solver_block: 160 / 160 - Time: 0.511 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.296 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (106, 106), data: True |-- (124, 124), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (158, 156), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:46:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:46:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.851046489999999 -6.149959084999999 0.000000000000000 b 2.851046489999999 6.149959084999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.599228149999999 Atomic positions (fractional): 1 Cl 0.75558503237536 0.24441496762464 0.25000000000000 35.453 2 Cl 0.24441496762464 0.75558503237536 0.75000000000000 35.453 3 Bi 0.41615954647701 0.58384045352299 0.25000000000000 208.980 4 Bi 0.58384045352299 0.41615954647701 0.75000000000000 208.980 5 Sr 0.88989361685311 0.11010638314689 0.75000000000000 87.620 6 Sr 0.11010638314689 0.88989361685311 0.25000000000000 87.620 7 O 0.73600135800469 0.73600135800469 0.00000000000000 15.999 8 O 0.73600135800469 0.73600135800469 0.50000000000000 15.999 9 O 0.26399864199531 0.26399864199531 0.50000000000000 15.999 10 O 0.26399864199531 0.26399864199531 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.404185959999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.299918169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.797684449999998 Atomic positions (fractional): 1 Cl 0.00000000000000 0.24441496762464 0.08333333333333 35.453 > 1 2 Cl 0.50000000000000 0.24441496762464 0.08333333333333 35.453 > 1 3 Cl 0.00000000000000 0.24441496762464 0.41666666666667 35.453 > 1 4 Cl 0.50000000000000 0.24441496762464 0.41666666666667 35.453 > 1 5 Cl 0.00000000000000 0.24441496762464 0.75000000000000 35.453 > 1 6 Cl 0.50000000000000 0.24441496762464 0.75000000000000 35.453 > 1 7 Cl 0.25000000000000 0.25558503237536 0.25000000000000 35.453 > 7 8 Cl 0.75000000000000 0.25558503237536 0.25000000000000 35.453 > 7 9 Cl 0.25000000000000 0.25558503237536 0.58333333333333 35.453 > 7 10 Cl 0.75000000000000 0.25558503237536 0.58333333333333 35.453 > 7 11 Cl 0.25000000000000 0.25558503237536 0.91666666666667 35.453 > 7 12 Cl 0.75000000000000 0.25558503237536 0.91666666666667 35.453 > 7 13 Cl 0.25000000000000 0.74441496762464 0.08333333333333 35.453 > 1 14 Cl 0.75000000000000 0.74441496762464 0.08333333333333 35.453 > 1 15 Cl 0.25000000000000 0.74441496762464 0.41666666666667 35.453 > 1 16 Cl 0.75000000000000 0.74441496762464 0.41666666666667 35.453 > 1 17 Cl 0.25000000000000 0.74441496762464 0.75000000000000 35.453 > 1 18 Cl 0.75000000000000 0.74441496762464 0.75000000000000 35.453 > 1 19 Cl 0.00000000000000 0.75558503237536 0.25000000000000 35.453 > 7 20 Cl 0.50000000000000 0.75558503237536 0.25000000000000 35.453 > 7 21 Cl 0.00000000000000 0.75558503237536 0.58333333333333 35.453 > 7 22 Cl 0.50000000000000 0.75558503237536 0.58333333333333 35.453 > 7 23 Cl 0.00000000000000 0.75558503237536 0.91666666666667 35.453 > 7 24 Cl 0.50000000000000 0.75558503237536 0.91666666666667 35.453 > 7 25 Bi 0.25000000000000 0.08384045352299 0.08333333333333 208.980 > 25 26 Bi 0.75000000000000 0.08384045352299 0.08333333333333 208.980 > 25 27 Bi 0.25000000000000 0.08384045352299 0.41666666666667 208.980 > 25 28 Bi 0.75000000000000 0.08384045352299 0.41666666666667 208.980 > 25 29 Bi 0.25000000000000 0.08384045352299 0.75000000000000 208.980 > 25 30 Bi 0.75000000000000 0.08384045352299 0.75000000000000 208.980 > 25 31 Bi 0.00000000000000 0.41615954647701 0.25000000000000 208.980 > 31 32 Bi 0.50000000000000 0.41615954647701 0.25000000000000 208.980 > 31 33 Bi 0.00000000000000 0.41615954647701 0.58333333333333 208.980 > 31 34 Bi 0.50000000000000 0.41615954647701 0.58333333333333 208.980 > 31 35 Bi 0.00000000000000 0.41615954647701 0.91666666666667 208.980 > 31 36 Bi 0.50000000000000 0.41615954647701 0.91666666666667 208.980 > 31 37 Bi 0.00000000000000 0.58384045352299 0.08333333333333 208.980 > 25 38 Bi 0.50000000000000 0.58384045352299 0.08333333333333 208.980 > 25 39 Bi 0.00000000000000 0.58384045352299 0.41666666666667 208.980 > 25 40 Bi 0.50000000000000 0.58384045352299 0.41666666666667 208.980 > 25 41 Bi 0.00000000000000 0.58384045352299 0.75000000000000 208.980 > 25 42 Bi 0.50000000000000 0.58384045352299 0.75000000000000 208.980 > 25 43 Bi 0.25000000000000 0.91615954647701 0.25000000000000 208.980 > 31 44 Bi 0.75000000000000 0.91615954647701 0.25000000000000 208.980 > 31 45 Bi 0.25000000000000 0.91615954647701 0.58333333333333 208.980 > 31 46 Bi 0.75000000000000 0.91615954647701 0.58333333333333 208.980 > 31 47 Bi 0.25000000000000 0.91615954647701 0.91666666666667 208.980 > 31 48 Bi 0.75000000000000 0.91615954647701 0.91666666666667 208.980 > 31 49 Sr 0.00000000000000 0.11010638314689 0.25000000000000 87.620 > 49 50 Sr 0.50000000000000 0.11010638314689 0.25000000000000 87.620 > 49 51 Sr 0.00000000000000 0.11010638314689 0.58333333333333 87.620 > 49 52 Sr 0.50000000000000 0.11010638314689 0.58333333333333 87.620 > 49 53 Sr 0.00000000000000 0.11010638314689 0.91666666666667 87.620 > 49 54 Sr 0.50000000000000 0.11010638314689 0.91666666666667 87.620 > 49 55 Sr 0.25000000000000 0.38989361685311 0.08333333333333 87.620 > 55 56 Sr 0.75000000000000 0.38989361685311 0.08333333333333 87.620 > 55 57 Sr 0.25000000000000 0.38989361685311 0.41666666666667 87.620 > 55 58 Sr 0.75000000000000 0.38989361685311 0.41666666666667 87.620 > 55 59 Sr 0.25000000000000 0.38989361685311 0.75000000000000 87.620 > 55 60 Sr 0.75000000000000 0.38989361685311 0.75000000000000 87.620 > 55 61 Sr 0.25000000000000 0.61010638314689 0.25000000000000 87.620 > 49 62 Sr 0.75000000000000 0.61010638314689 0.25000000000000 87.620 > 49 63 Sr 0.25000000000000 0.61010638314689 0.58333333333333 87.620 > 49 64 Sr 0.75000000000000 0.61010638314689 0.58333333333333 87.620 > 49 65 Sr 0.25000000000000 0.61010638314689 0.91666666666667 87.620 > 49 66 Sr 0.75000000000000 0.61010638314689 0.91666666666667 87.620 > 49 67 Sr 0.00000000000000 0.88989361685311 0.08333333333333 87.620 > 55 68 Sr 0.50000000000000 0.88989361685311 0.08333333333333 87.620 > 55 69 Sr 0.00000000000000 0.88989361685311 0.41666666666667 87.620 > 55 70 Sr 0.50000000000000 0.88989361685311 0.41666666666667 87.620 > 55 71 Sr 0.00000000000000 0.88989361685311 0.75000000000000 87.620 > 55 72 Sr 0.50000000000000 0.88989361685311 0.75000000000000 87.620 > 55 73 O 0.36800067900234 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.86800067900234 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.36800067900234 0.00000000000000 0.33333333333333 15.999 > 73 76 O 0.86800067900234 0.00000000000000 0.33333333333333 15.999 > 73 77 O 0.36800067900234 0.00000000000000 0.66666666666667 15.999 > 73 78 O 0.86800067900234 0.00000000000000 0.66666666666667 15.999 > 73 79 O 0.36800067900234 0.00000000000000 0.16666666666667 15.999 > 79 80 O 0.86800067900234 0.00000000000000 0.16666666666667 15.999 > 79 81 O 0.36800067900234 0.00000000000000 0.50000000000000 15.999 > 79 82 O 0.86800067900234 0.00000000000000 0.50000000000000 15.999 > 79 83 O 0.36800067900234 0.00000000000000 0.83333333333333 15.999 > 79 84 O 0.86800067900234 0.00000000000000 0.83333333333333 15.999 > 79 85 O 0.13199932099766 0.00000000000000 0.16666666666667 15.999 > 85 86 O 0.63199932099766 0.00000000000000 0.16666666666667 15.999 > 85 87 O 0.13199932099766 0.00000000000000 0.50000000000000 15.999 > 85 88 O 0.63199932099766 0.00000000000000 0.50000000000000 15.999 > 85 89 O 0.13199932099766 0.00000000000000 0.83333333333333 15.999 > 85 90 O 0.63199932099766 0.00000000000000 0.83333333333333 15.999 > 85 91 O 0.13199932099766 0.00000000000000 0.00000000000000 15.999 > 91 92 O 0.63199932099766 0.00000000000000 0.00000000000000 15.999 > 91 93 O 0.13199932099766 0.00000000000000 0.33333333333333 15.999 > 91 94 O 0.63199932099766 0.00000000000000 0.33333333333333 15.999 > 91 95 O 0.13199932099766 0.00000000000000 0.66666666666667 15.999 > 91 96 O 0.63199932099766 0.00000000000000 0.66666666666667 15.999 > 91 97 O 0.11800067900234 0.50000000000000 0.00000000000000 15.999 > 73 98 O 0.61800067900234 0.50000000000000 0.00000000000000 15.999 > 73 99 O 0.11800067900234 0.50000000000000 0.33333333333333 15.999 > 73 100 O 0.61800067900234 0.50000000000000 0.33333333333333 15.999 > 73 101 O 0.11800067900234 0.50000000000000 0.66666666666667 15.999 > 73 102 O 0.61800067900234 0.50000000000000 0.66666666666667 15.999 > 73 103 O 0.11800067900234 0.50000000000000 0.16666666666667 15.999 > 79 104 O 0.61800067900234 0.50000000000000 0.16666666666667 15.999 > 79 105 O 0.11800067900234 0.50000000000000 0.50000000000000 15.999 > 79 106 O 0.61800067900234 0.50000000000000 0.50000000000000 15.999 > 79 107 O 0.11800067900234 0.50000000000000 0.83333333333333 15.999 > 79 108 O 0.61800067900234 0.50000000000000 0.83333333333333 15.999 > 79 109 O 0.38199932099766 0.50000000000000 0.16666666666667 15.999 > 85 110 O 0.88199932099766 0.50000000000000 0.16666666666667 15.999 > 85 111 O 0.38199932099766 0.50000000000000 0.50000000000000 15.999 > 85 112 O 0.88199932099766 0.50000000000000 0.50000000000000 15.999 > 85 113 O 0.38199932099766 0.50000000000000 0.83333333333333 15.999 > 85 114 O 0.88199932099766 0.50000000000000 0.83333333333333 15.999 > 85 115 O 0.38199932099766 0.50000000000000 0.00000000000000 15.999 > 91 116 O 0.88199932099766 0.50000000000000 0.00000000000000 15.999 > 91 117 O 0.38199932099766 0.50000000000000 0.33333333333333 15.999 > 91 118 O 0.88199932099766 0.50000000000000 0.33333333333333 15.999 > 91 119 O 0.38199932099766 0.50000000000000 0.66666666666667 15.999 > 91 120 O 0.88199932099766 0.50000000000000 0.66666666666667 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1908609 0.0000000 0.0000000 0.0000000 3.9667752 0.0000000 0.0000000 0.0000000 4.7099430 -------------------------- Born effective charges -------------------------- 1 Cl -1.5544842 0.0000000 0.0000000 0.0000000 -1.4415704 0.0000000 0.0000000 0.0000000 -1.5787948 2 Cl -1.5544842 0.0000000 0.0000000 0.0000000 -1.4415704 0.0000000 0.0000000 0.0000000 -1.5787948 3 Bi 3.0321627 0.0000000 0.0000000 0.0000000 2.5150433 0.0000000 0.0000000 0.0000000 4.8916456 4 Bi 3.0321627 0.0000000 0.0000000 0.0000000 2.5150433 0.0000000 0.0000000 0.0000000 4.8916456 5 Sr 3.1248467 0.0000000 0.0000000 0.0000000 2.4325655 0.0000000 0.0000000 0.0000000 2.4930389 6 Sr 3.1248467 0.0000000 0.0000000 0.0000000 2.4325655 0.0000000 0.0000000 0.0000000 2.4930389 7 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 -0.3201837 0.0000000 -1.0126366 -2.9029449 8 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 0.3201837 0.0000000 1.0126366 -2.9029449 9 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 0.3201837 0.0000000 1.0126366 -2.9029449 10 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 -0.3201837 0.0000000 -1.0126366 -2.9029449 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:46:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:46:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.851046489999999 -6.149959084999999 0.000000000000000 b 2.851046489999999 6.149959084999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.599228149999999 Atomic positions (fractional): 1 Cl 0.75558503237536 0.24441496762464 0.25000000000000 35.453 2 Cl 0.24441496762464 0.75558503237536 0.75000000000000 35.453 3 Bi 0.41615954647701 0.58384045352299 0.25000000000000 208.980 4 Bi 0.58384045352299 0.41615954647701 0.75000000000000 208.980 5 Sr 0.88989361685311 0.11010638314689 0.75000000000000 87.620 6 Sr 0.11010638314689 0.88989361685311 0.25000000000000 87.620 7 O 0.73600135800469 0.73600135800469 0.00000000000000 15.999 8 O 0.73600135800469 0.73600135800469 0.50000000000000 15.999 9 O 0.26399864199531 0.26399864199531 0.50000000000000 15.999 10 O 0.26399864199531 0.26399864199531 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.404185959999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.299918169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.797684449999998 Atomic positions (fractional): 1 Cl 0.00000000000000 0.24441496762464 0.08333333333333 35.453 > 1 2 Cl 0.50000000000000 0.24441496762464 0.08333333333333 35.453 > 1 3 Cl 0.00000000000000 0.24441496762464 0.41666666666667 35.453 > 1 4 Cl 0.50000000000000 0.24441496762464 0.41666666666667 35.453 > 1 5 Cl 0.00000000000000 0.24441496762464 0.75000000000000 35.453 > 1 6 Cl 0.50000000000000 0.24441496762464 0.75000000000000 35.453 > 1 7 Cl 0.25000000000000 0.25558503237536 0.25000000000000 35.453 > 7 8 Cl 0.75000000000000 0.25558503237536 0.25000000000000 35.453 > 7 9 Cl 0.25000000000000 0.25558503237536 0.58333333333333 35.453 > 7 10 Cl 0.75000000000000 0.25558503237536 0.58333333333333 35.453 > 7 11 Cl 0.25000000000000 0.25558503237536 0.91666666666667 35.453 > 7 12 Cl 0.75000000000000 0.25558503237536 0.91666666666667 35.453 > 7 13 Cl 0.25000000000000 0.74441496762464 0.08333333333333 35.453 > 1 14 Cl 0.75000000000000 0.74441496762464 0.08333333333333 35.453 > 1 15 Cl 0.25000000000000 0.74441496762464 0.41666666666667 35.453 > 1 16 Cl 0.75000000000000 0.74441496762464 0.41666666666667 35.453 > 1 17 Cl 0.25000000000000 0.74441496762464 0.75000000000000 35.453 > 1 18 Cl 0.75000000000000 0.74441496762464 0.75000000000000 35.453 > 1 19 Cl 0.00000000000000 0.75558503237536 0.25000000000000 35.453 > 7 20 Cl 0.50000000000000 0.75558503237536 0.25000000000000 35.453 > 7 21 Cl 0.00000000000000 0.75558503237536 0.58333333333333 35.453 > 7 22 Cl 0.50000000000000 0.75558503237536 0.58333333333333 35.453 > 7 23 Cl 0.00000000000000 0.75558503237536 0.91666666666667 35.453 > 7 24 Cl 0.50000000000000 0.75558503237536 0.91666666666667 35.453 > 7 25 Bi 0.25000000000000 0.08384045352299 0.08333333333333 208.980 > 25 26 Bi 0.75000000000000 0.08384045352299 0.08333333333333 208.980 > 25 27 Bi 0.25000000000000 0.08384045352299 0.41666666666667 208.980 > 25 28 Bi 0.75000000000000 0.08384045352299 0.41666666666667 208.980 > 25 29 Bi 0.25000000000000 0.08384045352299 0.75000000000000 208.980 > 25 30 Bi 0.75000000000000 0.08384045352299 0.75000000000000 208.980 > 25 31 Bi 0.00000000000000 0.41615954647701 0.25000000000000 208.980 > 31 32 Bi 0.50000000000000 0.41615954647701 0.25000000000000 208.980 > 31 33 Bi 0.00000000000000 0.41615954647701 0.58333333333333 208.980 > 31 34 Bi 0.50000000000000 0.41615954647701 0.58333333333333 208.980 > 31 35 Bi 0.00000000000000 0.41615954647701 0.91666666666667 208.980 > 31 36 Bi 0.50000000000000 0.41615954647701 0.91666666666667 208.980 > 31 37 Bi 0.00000000000000 0.58384045352299 0.08333333333333 208.980 > 25 38 Bi 0.50000000000000 0.58384045352299 0.08333333333333 208.980 > 25 39 Bi 0.00000000000000 0.58384045352299 0.41666666666667 208.980 > 25 40 Bi 0.50000000000000 0.58384045352299 0.41666666666667 208.980 > 25 41 Bi 0.00000000000000 0.58384045352299 0.75000000000000 208.980 > 25 42 Bi 0.50000000000000 0.58384045352299 0.75000000000000 208.980 > 25 43 Bi 0.25000000000000 0.91615954647701 0.25000000000000 208.980 > 31 44 Bi 0.75000000000000 0.91615954647701 0.25000000000000 208.980 > 31 45 Bi 0.25000000000000 0.91615954647701 0.58333333333333 208.980 > 31 46 Bi 0.75000000000000 0.91615954647701 0.58333333333333 208.980 > 31 47 Bi 0.25000000000000 0.91615954647701 0.91666666666667 208.980 > 31 48 Bi 0.75000000000000 0.91615954647701 0.91666666666667 208.980 > 31 49 Sr 0.00000000000000 0.11010638314689 0.25000000000000 87.620 > 49 50 Sr 0.50000000000000 0.11010638314689 0.25000000000000 87.620 > 49 51 Sr 0.00000000000000 0.11010638314689 0.58333333333333 87.620 > 49 52 Sr 0.50000000000000 0.11010638314689 0.58333333333333 87.620 > 49 53 Sr 0.00000000000000 0.11010638314689 0.91666666666667 87.620 > 49 54 Sr 0.50000000000000 0.11010638314689 0.91666666666667 87.620 > 49 55 Sr 0.25000000000000 0.38989361685311 0.08333333333333 87.620 > 55 56 Sr 0.75000000000000 0.38989361685311 0.08333333333333 87.620 > 55 57 Sr 0.25000000000000 0.38989361685311 0.41666666666667 87.620 > 55 58 Sr 0.75000000000000 0.38989361685311 0.41666666666667 87.620 > 55 59 Sr 0.25000000000000 0.38989361685311 0.75000000000000 87.620 > 55 60 Sr 0.75000000000000 0.38989361685311 0.75000000000000 87.620 > 55 61 Sr 0.25000000000000 0.61010638314689 0.25000000000000 87.620 > 49 62 Sr 0.75000000000000 0.61010638314689 0.25000000000000 87.620 > 49 63 Sr 0.25000000000000 0.61010638314689 0.58333333333333 87.620 > 49 64 Sr 0.75000000000000 0.61010638314689 0.58333333333333 87.620 > 49 65 Sr 0.25000000000000 0.61010638314689 0.91666666666667 87.620 > 49 66 Sr 0.75000000000000 0.61010638314689 0.91666666666667 87.620 > 49 67 Sr 0.00000000000000 0.88989361685311 0.08333333333333 87.620 > 55 68 Sr 0.50000000000000 0.88989361685311 0.08333333333333 87.620 > 55 69 Sr 0.00000000000000 0.88989361685311 0.41666666666667 87.620 > 55 70 Sr 0.50000000000000 0.88989361685311 0.41666666666667 87.620 > 55 71 Sr 0.00000000000000 0.88989361685311 0.75000000000000 87.620 > 55 72 Sr 0.50000000000000 0.88989361685311 0.75000000000000 87.620 > 55 73 O 0.36800067900234 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.86800067900234 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.36800067900234 0.00000000000000 0.33333333333333 15.999 > 73 76 O 0.86800067900234 0.00000000000000 0.33333333333333 15.999 > 73 77 O 0.36800067900234 0.00000000000000 0.66666666666667 15.999 > 73 78 O 0.86800067900234 0.00000000000000 0.66666666666667 15.999 > 73 79 O 0.36800067900234 0.00000000000000 0.16666666666667 15.999 > 79 80 O 0.86800067900234 0.00000000000000 0.16666666666667 15.999 > 79 81 O 0.36800067900234 0.00000000000000 0.50000000000000 15.999 > 79 82 O 0.86800067900234 0.00000000000000 0.50000000000000 15.999 > 79 83 O 0.36800067900234 0.00000000000000 0.83333333333333 15.999 > 79 84 O 0.86800067900234 0.00000000000000 0.83333333333333 15.999 > 79 85 O 0.13199932099766 0.00000000000000 0.16666666666667 15.999 > 85 86 O 0.63199932099766 0.00000000000000 0.16666666666667 15.999 > 85 87 O 0.13199932099766 0.00000000000000 0.50000000000000 15.999 > 85 88 O 0.63199932099766 0.00000000000000 0.50000000000000 15.999 > 85 89 O 0.13199932099766 0.00000000000000 0.83333333333333 15.999 > 85 90 O 0.63199932099766 0.00000000000000 0.83333333333333 15.999 > 85 91 O 0.13199932099766 0.00000000000000 0.00000000000000 15.999 > 91 92 O 0.63199932099766 0.00000000000000 0.00000000000000 15.999 > 91 93 O 0.13199932099766 0.00000000000000 0.33333333333333 15.999 > 91 94 O 0.63199932099766 0.00000000000000 0.33333333333333 15.999 > 91 95 O 0.13199932099766 0.00000000000000 0.66666666666667 15.999 > 91 96 O 0.63199932099766 0.00000000000000 0.66666666666667 15.999 > 91 97 O 0.11800067900234 0.50000000000000 0.00000000000000 15.999 > 73 98 O 0.61800067900234 0.50000000000000 0.00000000000000 15.999 > 73 99 O 0.11800067900234 0.50000000000000 0.33333333333333 15.999 > 73 100 O 0.61800067900234 0.50000000000000 0.33333333333333 15.999 > 73 101 O 0.11800067900234 0.50000000000000 0.66666666666667 15.999 > 73 102 O 0.61800067900234 0.50000000000000 0.66666666666667 15.999 > 73 103 O 0.11800067900234 0.50000000000000 0.16666666666667 15.999 > 79 104 O 0.61800067900234 0.50000000000000 0.16666666666667 15.999 > 79 105 O 0.11800067900234 0.50000000000000 0.50000000000000 15.999 > 79 106 O 0.61800067900234 0.50000000000000 0.50000000000000 15.999 > 79 107 O 0.11800067900234 0.50000000000000 0.83333333333333 15.999 > 79 108 O 0.61800067900234 0.50000000000000 0.83333333333333 15.999 > 79 109 O 0.38199932099766 0.50000000000000 0.16666666666667 15.999 > 85 110 O 0.88199932099766 0.50000000000000 0.16666666666667 15.999 > 85 111 O 0.38199932099766 0.50000000000000 0.50000000000000 15.999 > 85 112 O 0.88199932099766 0.50000000000000 0.50000000000000 15.999 > 85 113 O 0.38199932099766 0.50000000000000 0.83333333333333 15.999 > 85 114 O 0.88199932099766 0.50000000000000 0.83333333333333 15.999 > 85 115 O 0.38199932099766 0.50000000000000 0.00000000000000 15.999 > 91 116 O 0.88199932099766 0.50000000000000 0.00000000000000 15.999 > 91 117 O 0.38199932099766 0.50000000000000 0.33333333333333 15.999 > 91 118 O 0.88199932099766 0.50000000000000 0.33333333333333 15.999 > 91 119 O 0.38199932099766 0.50000000000000 0.66666666666667 15.999 > 91 120 O 0.88199932099766 0.50000000000000 0.66666666666667 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1908609 0.0000000 0.0000000 0.0000000 3.9667752 0.0000000 0.0000000 0.0000000 4.7099430 -------------------------- Born effective charges -------------------------- 1 Cl -1.5544842 0.0000000 0.0000000 0.0000000 -1.4415704 0.0000000 0.0000000 0.0000000 -1.5787948 2 Cl -1.5544842 0.0000000 0.0000000 0.0000000 -1.4415704 0.0000000 0.0000000 0.0000000 -1.5787948 3 Bi 3.0321627 0.0000000 0.0000000 0.0000000 2.5150433 0.0000000 0.0000000 0.0000000 4.8916456 4 Bi 3.0321627 0.0000000 0.0000000 0.0000000 2.5150433 0.0000000 0.0000000 0.0000000 4.8916456 5 Sr 3.1248467 0.0000000 0.0000000 0.0000000 2.4325655 0.0000000 0.0000000 0.0000000 2.4930389 6 Sr 3.1248467 0.0000000 0.0000000 0.0000000 2.4325655 0.0000000 0.0000000 0.0000000 2.4930389 7 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 -0.3201837 0.0000000 -1.0126366 -2.9029449 8 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 0.3201837 0.0000000 1.0126366 -2.9029449 9 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 0.3201837 0.0000000 1.0126366 -2.9029449 10 O -2.3012626 0.0000000 0.0000000 0.0000000 -1.7530192 -0.3201837 0.0000000 -1.0126366 -2.9029449 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 9 ] 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: 0.71, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.465 ( 0.000 0.000 0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 12.325 ( 0.000 0.000 0.000) 0.000 12.531 ( 0.000 0.000 0.000) 0.000 14.115 ( 0.000 0.000 0.000) 0.000 14.840 ( 0.000 0.000 0.000) 0.000 16.363 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( 5.395 -21.488 0.000) 22.155 0.363 ( 18.383 -4.249 0.000) 18.868 0.692 ( 37.074 -1.845 0.000) 37.120 2.350 ( -2.777 -0.336 0.000) 2.797 2.638 ( 1.723 0.152 0.000) 1.730 2.818 ( 14.435 33.275 0.000) 36.271 2.823 ( -7.854 0.791 0.000) 7.894 3.016 ( 4.730 2.494 0.000) 5.347 3.086 ( 2.042 -0.295 0.000) 2.063 3.421 ( -1.010 -0.556 0.000) 1.153 3.483 ( -11.411 -19.140 0.000) 22.284 3.529 ( 5.415 -0.139 0.000) 5.417 3.646 ( -10.603 -9.990 0.000) 14.568 3.802 ( -1.234 3.595 0.000) 3.801 4.048 ( -1.711 -14.405 0.000) 14.506 5.325 ( -2.713 2.679 0.000) 3.812 5.468 ( -4.246 -0.028 0.000) 4.246 5.597 ( 2.974 8.238 0.000) 8.758 6.916 ( 4.869 0.075 0.000) 4.870 7.941 ( -0.857 -0.008 0.000) 0.857 8.803 ( 12.053 -0.493 0.000) 12.063 10.418 ( -3.550 0.003 0.000) 3.550 10.597 ( 14.661 -0.018 0.000) 14.661 12.238 ( -3.537 2.829 0.000) 4.529 12.552 ( 2.346 0.082 0.000) 2.348 14.162 ( 5.341 0.454 0.000) 5.361 14.617 ( 34.449 69.761 0.000) 77.803 14.790 ( -5.643 -0.009 0.000) 5.643 16.333 ( -3.810 -0.924 0.000) 3.920 17.241 ( -16.265 -28.205 0.000) 32.558 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 6.858 -18.643 0.000) 19.865 0.709 ( 17.668 -3.020 0.000) 17.924 1.309 ( 31.381 -1.344 0.000) 31.410 2.272 ( -6.306 0.487 0.000) 6.325 2.589 ( -12.608 0.528 0.000) 12.619 2.718 ( 2.556 0.294 0.000) 2.573 2.815 ( 7.423 14.305 0.000) 16.117 3.050 ( -0.007 0.266 0.000) 0.266 3.146 ( 3.677 0.280 0.000) 3.687 3.383 ( -3.621 -0.423 0.000) 3.646 3.434 ( -3.729 -3.102 0.000) 4.851 3.519 ( -9.319 -3.399 0.000) 9.919 3.679 ( 11.046 -0.191 0.000) 11.047 3.783 ( -0.673 -4.133 0.000) 4.187 4.127 ( 1.362 -5.604 0.000) 5.767 5.228 ( -4.842 4.226 0.000) 6.427 5.360 ( -8.058 -0.031 0.000) 8.058 5.577 ( 0.113 3.246 0.000) 3.248 7.030 ( 7.842 0.117 0.000) 7.843 7.919 ( -1.658 -0.016 0.000) 1.658 9.106 ( 21.242 -0.638 0.000) 21.251 10.335 ( -5.568 0.013 0.000) 5.568 10.955 ( 25.127 -0.025 0.000) 25.127 12.105 ( -13.490 -6.499 0.000) 14.974 12.605 ( 3.559 0.125 0.000) 3.561 14.284 ( 8.454 0.153 0.000) 8.456 14.645 ( -10.859 -0.018 0.000) 10.859 14.681 ( 23.489 38.950 0.000) 45.484 16.245 ( -7.487 -1.859 0.000) 7.714 17.162 ( -10.931 -11.409 0.000) 15.800 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 8.329 -14.806 0.000) 16.988 1.031 ( 17.052 -1.455 0.000) 17.114 1.807 ( 24.284 -1.289 0.000) 24.318 2.121 ( -9.293 2.272 0.000) 9.566 2.309 ( -17.561 0.246 0.000) 17.563 2.804 ( 6.122 -0.334 0.000) 6.131 2.843 ( 5.584 7.272 0.000) 9.169 3.006 ( -3.841 2.102 0.000) 4.378 3.182 ( 0.373 -0.713 0.000) 0.805 3.304 ( -5.418 0.103 0.000) 5.419 3.341 ( -9.070 -0.401 0.000) 9.079 3.460 ( 1.169 -0.279 0.000) 1.202 3.860 ( 4.273 -7.139 0.000) 8.321 3.902 ( 13.729 -0.164 0.000) 13.730 4.186 ( 1.740 -1.922 0.000) 2.593 5.096 ( -5.852 4.561 0.000) 7.420 5.192 ( -10.742 -0.004 0.000) 10.742 5.551 ( -0.742 1.423 0.000) 1.605 7.173 ( 8.101 0.117 0.000) 8.102 7.884 ( -2.216 -0.024 0.000) 2.216 9.529 ( 25.593 -0.288 0.000) 25.595 10.235 ( -5.408 0.022 0.000) 5.408 11.436 ( 28.247 -0.017 0.000) 28.247 11.872 ( -19.525 -8.127 0.000) 21.148 12.666 ( 3.315 0.117 0.000) 3.317 14.420 ( -14.348 -0.022 0.000) 14.348 14.437 ( 8.295 -0.363 0.000) 8.302 14.810 ( 21.119 26.044 0.000) 33.531 16.106 ( -10.292 -2.781 0.000) 10.661 17.053 ( -8.707 -5.024 0.000) 10.052 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 7.781 -9.677 0.000) 12.418 1.334 ( 16.698 -0.183 0.000) 16.699 1.930 ( -8.772 3.442 0.000) 9.423 1.992 ( -18.003 -0.238 0.000) 18.005 2.184 ( 17.033 -1.839 0.000) 17.132 2.844 ( -5.373 0.852 0.000) 5.440 2.927 ( 7.237 -0.768 0.000) 7.278 2.932 ( 3.017 6.215 0.000) 6.909 3.178 ( -1.765 1.541 0.000) 2.343 3.194 ( -6.690 0.612 0.000) 6.718 3.198 ( -6.336 -3.047 0.000) 7.030 3.488 ( 1.273 -0.187 0.000) 1.287 4.023 ( 6.798 -6.345 0.000) 9.299 4.139 ( 12.038 -0.107 0.000) 12.038 4.211 ( 0.168 0.636 0.000) 0.658 4.966 ( -4.686 3.393 0.000) 5.786 5.000 ( -10.231 0.027 0.000) 10.231 5.531 ( -0.638 0.501 0.000) 0.811 7.296 ( 5.446 0.078 0.000) 5.447 7.846 ( -1.925 -0.024 0.000) 1.925 9.961 ( 21.708 0.350 0.000) 21.711 10.156 ( -3.287 0.017 0.000) 3.287 11.581 ( -18.447 -5.553 0.000) 19.265 11.885 ( 20.796 -0.005 0.000) 20.796 12.713 ( 1.946 0.068 0.000) 1.947 14.173 ( -12.377 -0.018 0.000) 12.377 14.562 ( 5.197 -0.336 0.000) 5.208 14.976 ( 15.491 14.369 0.000) 21.129 15.947 ( -9.547 -2.954 0.000) 9.994 16.954 ( -5.243 -1.781 0.000) 5.537 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 -0.000 0.000) 0.000 1.566 ( 0.000 -0.000 0.000) 0.000 1.749 ( -0.000 -0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 -0.000 0.000) 0.000 2.742 ( 0.000 -0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 -0.000 0.000) 0.000 3.064 ( -0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 -0.000 0.000) 0.000 3.501 ( 0.000 -0.000 0.000) 0.000 4.156 ( -0.000 0.000 0.000) 0.000 4.172 ( 0.000 -0.000 0.000) 0.000 4.264 ( 0.000 -0.000 0.000) 0.000 4.892 ( 0.000 -0.000 0.000) 0.000 4.905 ( 0.000 -0.000 0.000) 0.000 5.523 ( 0.000 -0.000 0.000) 0.000 7.346 ( 0.000 -0.000 0.000) 0.000 7.827 ( 0.000 -0.000 0.000) 0.000 10.126 ( 0.000 -0.000 0.000) 0.000 10.179 ( 0.000 -0.000 0.000) 0.000 11.413 ( 0.000 -0.000 0.000) 0.000 12.084 ( -0.000 -0.000 0.000) 0.000 12.730 ( 0.000 -0.000 0.000) 0.000 14.050 ( 0.000 -0.000 0.000) 0.000 14.611 ( 0.000 -0.000 0.000) 0.000 15.066 ( -0.000 -0.000 0.000) 0.000 15.864 ( 0.000 0.000 0.000) 0.000 16.913 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 12.495 -0.000 0.000) 12.495 0.683 ( 19.011 -0.000 0.000) 19.011 1.298 ( 31.851 -0.000 0.000) 31.851 2.276 ( -5.621 0.000 0.000) 5.621 2.594 ( -12.539 0.000 0.000) 12.539 2.721 ( 2.016 -0.000 0.000) 2.016 2.955 ( -0.942 0.000 0.000) 0.942 3.056 ( -0.672 0.000 0.000) 0.672 3.240 ( 0.520 -0.000 0.000) 0.520 3.289 ( 4.298 -0.000 0.000) 4.298 3.379 ( -3.334 0.000 0.000) 3.334 3.490 ( -5.069 0.000 0.000) 5.069 3.678 ( 11.081 -0.000 0.000) 11.081 3.749 ( -3.884 0.000 0.000) 3.884 4.079 ( 4.990 -0.000 0.000) 4.990 5.262 ( -5.242 0.000 0.000) 5.242 5.359 ( -8.045 0.000 0.000) 8.045 5.612 ( -1.758 0.000 0.000) 1.758 7.031 ( 7.827 -0.000 0.000) 7.827 7.918 ( -1.659 0.000 0.000) 1.659 9.099 ( 21.331 -0.000 0.000) 21.331 10.335 ( -5.565 0.000 0.000) 5.565 10.955 ( 25.133 -0.000 0.000) 25.133 12.049 ( -14.383 0.000 0.000) 14.383 12.606 ( 3.541 -0.000 0.000) 3.541 14.284 ( 8.147 -0.000 0.000) 8.147 14.645 ( -10.859 0.000 0.000) 10.859 15.073 ( 6.513 -0.000 0.000) 6.513 16.233 ( -7.294 0.000 0.000) 7.294 17.028 ( -3.749 0.000 0.000) 3.749 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 13.673 -6.985 0.000) 15.354 1.014 ( 18.278 -0.583 0.000) 18.288 1.793 ( 24.303 -0.446 0.000) 24.307 2.151 ( -8.082 1.069 0.000) 8.153 2.311 ( -17.941 0.093 0.000) 17.941 2.800 ( 5.825 -0.119 0.000) 5.826 2.921 ( -1.323 2.090 0.000) 2.474 3.038 ( -1.235 1.085 0.000) 1.644 3.192 ( -2.077 2.243 0.000) 3.057 3.305 ( -5.058 0.038 0.000) 5.058 3.325 ( -4.727 -1.616 0.000) 4.996 3.464 ( 1.559 0.430 0.000) 1.617 3.754 ( 3.828 -4.456 0.000) 5.875 3.901 ( 13.785 -0.063 0.000) 13.786 4.162 ( 3.816 -0.784 0.000) 3.896 5.149 ( -6.576 1.738 0.000) 6.802 5.192 ( -10.716 -0.001 0.000) 10.716 5.574 ( -1.757 0.968 0.000) 2.006 7.175 ( 8.070 0.044 0.000) 8.070 7.884 ( -2.217 -0.009 0.000) 2.217 9.523 ( 25.857 -0.305 0.000) 25.859 10.235 ( -5.409 0.008 0.000) 5.409 11.436 ( 28.258 -0.007 0.000) 28.258 11.778 ( -17.613 -3.134 0.000) 17.889 12.668 ( 3.277 0.045 0.000) 3.277 14.419 ( -14.346 -0.009 0.000) 14.346 14.432 ( 8.205 -0.158 0.000) 8.207 15.141 ( 8.405 11.933 0.000) 14.596 16.083 ( -9.589 -0.271 0.000) 9.593 16.973 ( -4.874 -3.635 0.000) 6.081 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 13.343 -6.728 0.000) 14.944 1.331 ( 17.429 -0.139 0.000) 17.429 1.985 ( -8.280 2.940 0.000) 8.787 1.989 ( -18.263 -0.146 0.000) 18.263 2.161 ( 17.058 -0.995 0.000) 17.087 2.858 ( -5.265 0.827 0.000) 5.330 2.917 ( 7.069 -0.466 0.000) 7.084 2.999 ( -1.732 1.732 0.000) 2.449 3.151 ( -2.614 -1.339 0.000) 2.937 3.202 ( -6.419 0.376 0.000) 6.430 3.208 ( -5.660 1.299 0.000) 5.807 3.500 ( 2.623 1.275 0.000) 2.916 3.919 ( 8.367 -5.741 0.000) 10.147 4.137 ( 12.104 -0.065 0.000) 12.104 4.216 ( 1.756 0.133 0.000) 1.761 5.001 ( -10.222 0.018 0.000) 10.222 5.016 ( -6.170 2.467 0.000) 6.646 5.541 ( -1.102 0.665 0.000) 1.287 7.297 ( 5.393 0.047 0.000) 5.393 7.846 ( -1.914 -0.014 0.000) 1.914 9.961 ( 21.630 -0.247 0.000) 21.632 10.156 ( -3.298 0.011 0.000) 3.298 11.508 ( -14.462 -3.175 0.000) 14.806 11.885 ( 20.804 -0.003 0.000) 20.804 12.714 ( 1.893 0.042 0.000) 1.893 14.173 ( -12.367 -0.011 0.000) 12.367 14.557 ( 5.372 -0.244 0.000) 5.378 15.165 ( 2.177 7.967 0.000) 8.259 15.931 ( -6.120 0.715 0.000) 6.162 16.920 ( -3.328 -2.115 0.000) 3.943 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 9.007 -2.010 0.000) 9.229 1.565 ( -1.014 -0.047 0.000) 1.015 1.749 ( 1.298 0.025 0.000) 1.299 1.847 ( -3.070 2.895 0.000) 4.220 2.377 ( 3.835 -0.040 0.000) 3.835 2.746 ( -3.328 0.466 0.000) 3.360 2.925 ( -7.363 -3.134 0.000) 8.003 3.050 ( 7.431 -0.707 0.000) 7.464 3.077 ( -7.279 0.707 0.000) 7.313 3.121 ( 0.432 0.187 0.000) 0.471 3.181 ( 1.548 -0.121 0.000) 1.553 3.523 ( 1.529 2.358 0.000) 2.811 4.095 ( 6.096 -4.469 0.000) 7.559 4.209 ( -2.006 1.893 0.000) 2.758 4.264 ( 0.120 0.003 0.000) 0.120 4.892 ( -0.051 0.001 0.000) 0.051 4.916 ( -2.753 1.193 0.000) 3.001 5.526 ( -0.197 0.334 0.000) 0.388 7.346 ( -0.077 -0.002 0.000) 0.077 7.827 ( 0.028 0.001 0.000) 0.028 10.126 ( -0.018 -0.000 0.000) 0.018 10.171 ( -1.340 -0.870 0.000) 1.598 11.420 ( 6.028 0.682 0.000) 6.066 12.084 ( 0.002 -0.000 0.000) 0.002 12.730 ( -0.062 0.000 0.000) 0.062 14.050 ( 0.019 -0.000 0.000) 0.019 14.610 ( 0.298 -0.065 0.000) 0.305 15.038 ( -14.530 -2.860 0.000) 14.809 15.902 ( 5.199 3.920 0.000) 6.511 16.908 ( 1.054 -0.614 0.000) 1.220 ======================= Grid point 16 (11/155) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.741 8.316 0.000) 8.349 1.337 ( -15.832 0.132 0.000) 15.833 1.887 ( 7.849 -1.526 0.000) 7.996 1.996 ( 17.679 0.240 0.000) 17.681 2.221 ( -16.608 2.666 0.000) 16.821 2.810 ( -6.574 -8.255 0.000) 10.553 2.833 ( 5.549 -0.532 0.000) 5.574 2.940 ( -7.425 0.785 0.000) 7.467 3.149 ( 1.447 -1.645 0.000) 2.191 3.184 ( 7.025 -0.618 0.000) 7.052 3.239 ( 5.496 1.379 0.000) 5.666 3.514 ( 0.052 3.002 0.000) 3.003 4.110 ( -5.960 4.211 0.000) 7.297 4.141 ( -11.959 0.108 0.000) 11.960 4.191 ( 1.925 -1.903 0.000) 2.707 4.918 ( 2.483 -2.123 0.000) 3.267 5.000 ( 10.243 -0.024 0.000) 10.243 5.527 ( 0.390 0.025 0.000) 0.391 7.294 ( -5.512 -0.079 0.000) 5.512 7.846 ( 1.938 0.025 0.000) 1.938 9.949 ( -21.542 -1.085 0.000) 21.569 10.156 ( 3.273 -0.018 0.000) 3.274 11.678 ( 22.996 6.037 0.000) 23.775 11.885 ( -20.786 0.005 0.000) 20.786 12.712 ( -2.012 -0.068 0.000) 2.013 14.173 ( 12.390 0.018 0.000) 12.390 14.567 ( -4.966 0.250 0.000) 4.972 14.734 ( -26.811 -14.298 0.000) 30.386 16.016 ( 10.708 4.934 0.000) 11.790 16.974 ( 6.497 0.670 0.000) 6.532 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -15.186 1.661 0.000) 15.277 1.064 ( -3.297 15.616 0.000) 15.960 1.833 ( -24.040 1.754 0.000) 24.104 2.086 ( 10.523 -1.848 0.000) 10.684 2.304 ( 16.943 -0.308 0.000) 16.946 2.708 ( -10.054 -8.742 0.000) 13.323 2.810 ( -6.583 0.456 0.000) 6.599 2.978 ( 6.156 -1.450 0.000) 6.325 3.180 ( 0.188 -1.313 0.000) 1.326 3.302 ( 5.993 -0.136 0.000) 5.994 3.352 ( 8.392 0.815 0.000) 8.431 3.483 ( -0.480 2.824 0.000) 2.864 3.906 ( -13.640 0.201 0.000) 13.642 3.958 ( -6.158 4.648 0.000) 7.716 4.214 ( 0.981 1.130 0.000) 1.497 5.016 ( 4.631 -4.763 0.000) 6.643 5.192 ( 10.784 0.009 0.000) 10.784 5.535 ( 0.284 -0.451 0.000) 0.533 7.171 ( -8.151 -0.146 0.000) 8.152 7.885 ( 2.215 0.030 0.000) 2.215 9.529 ( -25.240 -0.352 0.000) 25.243 10.235 ( 5.407 -0.027 0.000) 5.407 11.436 ( -28.230 0.021 0.000) 28.230 12.026 ( 22.332 10.312 0.000) 24.598 12.664 ( -3.378 -0.144 0.000) 3.381 14.367 ( -32.357 -25.292 0.000) 41.069 14.420 ( 14.352 0.028 0.000) 14.352 14.447 ( -8.471 -0.494 0.000) 8.486 16.167 ( 10.278 4.403 0.000) 11.182 17.116 ( 10.909 2.631 0.000) 11.222 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -14.649 4.399 0.000) 15.295 0.862 ( -3.271 19.721 0.000) 19.990 1.343 ( -29.310 2.908 0.000) 29.453 2.260 ( 7.136 -1.053 0.000) 7.213 2.577 ( 12.643 -0.908 0.000) 12.676 2.601 ( -11.407 -10.825 0.000) 15.726 2.712 ( -3.788 -0.356 0.000) 3.805 3.050 ( 1.071 0.057 0.000) 1.072 3.165 ( -1.987 1.224 0.000) 2.334 3.392 ( 4.335 0.643 0.000) 4.382 3.447 ( 2.152 0.188 0.000) 2.160 3.546 ( 10.778 0.512 0.000) 10.790 3.683 ( -10.958 0.302 0.000) 10.962 3.846 ( -3.230 2.572 0.000) 4.129 4.228 ( 4.259 5.403 0.000) 6.880 5.136 ( 3.385 -6.372 0.000) 7.216 5.360 ( 8.094 0.055 0.000) 8.094 5.539 ( -0.874 -1.077 0.000) 1.387 7.028 ( -7.879 -0.189 0.000) 7.882 7.919 ( 1.656 0.026 0.000) 1.656 9.113 ( -21.260 0.161 0.000) 21.260 10.334 ( 5.576 -0.020 0.000) 5.576 10.956 ( -25.112 0.040 0.000) 25.112 12.242 ( 10.344 9.866 0.000) 14.295 12.602 ( -3.606 -0.203 0.000) 3.612 14.029 ( -34.176 -35.581 0.000) 49.336 14.298 ( -8.548 -0.428 0.000) 8.559 14.645 ( 10.859 0.029 0.000) 10.859 16.292 ( 7.548 3.697 0.000) 8.404 17.304 ( 14.209 5.688 0.000) 15.305 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -12.961 8.464 0.000) 15.480 0.596 ( -15.676 12.798 0.000) 20.237 0.798 ( -20.441 14.979 0.000) 25.342 2.333 ( -2.859 -4.841 0.000) 5.623 2.469 ( -12.134 -7.690 0.000) 14.366 2.634 ( -1.984 -0.372 0.000) 2.019 2.800 ( 7.392 -1.980 0.000) 7.653 3.021 ( -2.689 1.235 0.000) 2.959 3.113 ( -1.441 2.197 0.000) 2.627 3.437 ( 1.459 1.365 0.000) 1.998 3.532 ( 6.831 -1.490 0.000) 6.991 3.533 ( -5.320 0.337 0.000) 5.331 3.728 ( 4.312 -3.294 0.000) 5.426 3.801 ( 2.815 3.035 0.000) 4.140 4.319 ( 17.233 12.120 0.000) 21.068 5.219 ( -1.866 -8.781 0.000) 8.977 5.469 ( 4.262 0.077 0.000) 4.262 5.505 ( -4.880 -1.084 0.000) 4.999 6.914 ( -4.888 -0.197 0.000) 4.892 7.941 ( 0.856 0.020 0.000) 0.857 8.810 ( -12.519 0.160 0.000) 12.520 10.417 ( 3.557 -0.007 0.000) 3.557 10.598 ( -14.654 0.048 0.000) 14.654 12.182 ( -15.835 -3.120 0.000) 16.140 12.550 ( -2.368 -0.216 0.000) 2.378 13.725 ( -33.687 -32.564 0.000) 46.854 14.169 ( -5.906 -0.142 0.000) 5.908 14.791 ( 5.643 0.024 0.000) 5.643 16.367 ( 3.964 2.993 0.000) 4.967 17.526 ( 17.660 7.765 0.000) 19.292 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.121 ( 0.000 7.424 0.000) 7.424 0.233 ( 0.000 13.833 0.000) 13.833 0.476 ( 0.000 28.704 0.000) 28.704 2.189 ( -0.000 -2.368 0.000) 2.368 2.396 ( 0.000 2.735 0.000) 2.735 2.619 ( -0.000 -0.433 0.000) 0.433 2.884 ( -0.000 -1.767 0.000) 1.767 2.982 ( 0.000 1.106 0.000) 1.106 3.085 ( 0.000 1.791 0.000) 1.791 3.428 ( 0.000 1.130 0.000) 1.130 3.492 ( 0.000 0.497 0.000) 0.497 3.682 ( -0.000 -4.110 0.000) 4.110 3.687 ( -0.000 -1.695 0.000) 1.695 3.867 ( 0.000 1.092 0.000) 1.092 4.749 ( -0.000 -6.922 0.000) 6.922 5.083 ( -0.000 -0.049 0.000) 0.049 5.399 ( 0.000 4.221 0.000) 4.221 5.506 ( 0.000 0.063 0.000) 0.063 6.871 ( -0.000 -0.154 0.000) 0.154 7.948 ( 0.000 0.014 0.000) 0.014 8.693 ( -0.000 -0.024 0.000) 0.024 10.450 ( -0.000 -0.001 0.000) 0.001 10.466 ( 0.000 0.039 0.000) 0.039 11.810 ( 0.000 0.016 0.000) 0.016 12.530 ( -0.000 -0.169 0.000) 0.169 13.427 ( -0.000 -1.501 0.000) 1.501 14.115 ( -0.000 -0.014 0.000) 0.014 14.840 ( 0.000 0.017 0.000) 0.017 16.381 ( 0.000 2.149 0.000) 2.149 17.741 ( -0.000 -0.983 0.000) 0.983 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 15.705 -0.000 0.000) 15.705 1.330 ( 17.715 -0.000 0.000) 17.715 1.988 ( -18.361 0.000 0.000) 18.361 2.012 ( -7.912 0.000 0.000) 7.912 2.153 ( 17.002 -0.000 0.000) 17.002 2.866 ( -4.993 0.000 0.000) 4.993 2.913 ( 7.001 -0.000 0.000) 7.001 3.005 ( -4.270 0.000 0.000) 4.270 3.146 ( -2.320 0.000 0.000) 2.320 3.205 ( -6.315 0.000 0.000) 6.315 3.219 ( -6.046 0.000 0.000) 6.046 3.514 ( 3.158 -0.000 0.000) 3.158 3.866 ( 9.492 -0.000 0.000) 9.492 4.137 ( 12.129 -0.000 0.000) 12.129 4.217 ( 2.324 -0.000 0.000) 2.324 5.001 ( -10.219 0.000 0.000) 10.219 5.037 ( -6.642 0.000 0.000) 6.642 5.547 ( -1.383 0.000 0.000) 1.383 7.297 ( 5.372 -0.000 0.000) 5.372 7.846 ( -1.910 0.000 0.000) 1.910 9.958 ( 21.563 -0.000 0.000) 21.563 10.156 ( -3.302 0.000 0.000) 3.302 11.482 ( -12.841 0.000 0.000) 12.841 11.885 ( 20.807 -0.000 0.000) 20.807 12.714 ( 1.872 -0.000 0.000) 1.872 14.173 ( -12.363 0.000 0.000) 12.363 14.555 ( 5.436 -0.000 0.000) 5.436 15.228 ( -4.113 0.000 0.000) 4.113 15.944 ( -4.335 0.000 0.000) 4.335 16.900 ( -2.132 0.000 0.000) 2.132 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 13.900 -1.162 0.000) 13.949 1.565 ( -1.630 -0.029 0.000) 1.630 1.749 ( 2.091 0.015 0.000) 2.091 1.892 ( -4.095 1.819 0.000) 4.481 2.375 ( 6.430 -0.128 0.000) 6.431 2.755 ( -6.599 0.462 0.000) 6.615 2.877 ( -9.115 -1.987 0.000) 9.329 3.042 ( 7.473 -0.270 0.000) 7.478 3.085 ( -7.227 0.270 0.000) 7.232 3.123 ( -0.336 0.093 0.000) 0.349 3.179 ( 1.502 -0.080 0.000) 1.504 3.559 ( 2.460 1.510 0.000) 2.887 4.035 ( 7.682 -2.299 0.000) 8.019 4.229 ( -1.103 0.592 0.000) 1.252 4.264 ( 0.194 0.002 0.000) 0.194 4.892 ( -0.082 0.001 0.000) 0.082 4.934 ( -4.244 0.683 0.000) 4.299 5.531 ( -0.359 0.214 0.000) 0.418 7.346 ( -0.125 -0.001 0.000) 0.125 7.827 ( 0.046 0.001 0.000) 0.046 10.126 ( -0.029 -0.000 0.000) 0.029 10.158 ( -2.033 -0.532 0.000) 2.101 11.430 ( 9.657 0.415 0.000) 9.666 12.084 ( 0.003 -0.000 0.000) 0.003 12.730 ( -0.100 0.000 0.000) 0.100 14.050 ( 0.031 -0.000 0.000) 0.031 14.609 ( 0.488 -0.038 0.000) 0.490 14.997 ( -21.758 -1.588 0.000) 21.816 15.960 ( 6.384 2.276 0.000) 6.778 16.898 ( 1.911 -0.415 0.000) 1.956 ======================= Grid point 25 (18/155) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 6.223 4.086 0.000) 7.444 1.338 ( -15.162 0.057 0.000) 15.162 1.884 ( 5.593 0.911 0.000) 5.667 1.999 ( 17.415 0.149 0.000) 17.416 2.266 ( -16.346 2.535 0.000) 16.541 2.681 ( -7.987 -6.911 0.000) 10.561 2.827 ( 4.868 -0.195 0.000) 4.872 2.951 ( -7.562 0.493 0.000) 7.578 3.128 ( 0.434 -0.856 0.000) 0.959 3.175 ( 7.296 -0.384 0.000) 7.306 3.245 ( 5.325 -0.238 0.000) 5.331 3.571 ( 1.103 3.315 0.000) 3.494 4.142 ( -11.897 0.068 0.000) 11.898 4.153 ( 3.458 -2.272 0.000) 4.137 4.160 ( -5.525 1.817 0.000) 5.816 4.898 ( 0.587 -0.521 0.000) 0.785 5.000 ( 10.255 -0.013 0.000) 10.255 5.530 ( 0.313 0.234 0.000) 0.391 7.293 ( -5.564 -0.050 0.000) 5.565 7.847 ( 1.948 0.016 0.000) 1.948 9.931 ( -21.176 -0.965 0.000) 21.198 10.156 ( 3.263 -0.011 0.000) 3.263 11.763 ( 26.560 3.983 0.000) 26.857 11.885 ( -20.778 0.003 0.000) 20.778 12.711 ( -2.065 -0.042 0.000) 2.065 14.173 ( 12.400 0.011 0.000) 12.400 14.541 ( -33.275 -8.491 0.000) 34.342 14.571 ( -5.250 -0.028 0.000) 5.250 16.089 ( 10.149 3.543 0.000) 10.749 16.979 ( 7.175 0.046 0.000) 7.175 ======================= Grid point 26 (19/155) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -13.448 1.239 0.000) 13.505 1.295 ( 0.819 12.221 0.000) 12.248 1.861 ( -23.661 1.762 0.000) 23.727 2.063 ( 10.052 -1.071 0.000) 10.109 2.299 ( 16.320 -0.251 0.000) 16.322 2.573 ( -9.964 -7.392 0.000) 12.406 2.818 ( -7.021 0.402 0.000) 7.032 2.957 ( 6.981 -1.044 0.000) 7.058 3.149 ( 0.549 -1.974 0.000) 2.048 3.300 ( 6.557 -0.116 0.000) 6.558 3.357 ( 6.952 -0.205 0.000) 6.955 3.548 ( 0.210 4.528 0.000) 4.532 3.909 ( -13.555 0.161 0.000) 13.556 4.013 ( -8.299 2.269 0.000) 8.604 4.213 ( 2.244 -1.225 0.000) 2.556 4.955 ( 3.811 -2.555 0.000) 4.589 5.193 ( 10.828 0.012 0.000) 10.828 5.535 ( 0.397 0.231 0.000) 0.459 7.169 ( -8.200 -0.119 0.000) 8.201 7.885 ( 2.214 0.025 0.000) 2.214 9.520 ( -24.846 -0.670 0.000) 24.855 10.234 ( 5.406 -0.022 0.000) 5.406 11.437 ( -28.213 0.017 0.000) 28.213 12.190 ( 25.838 9.225 0.000) 27.435 12.662 ( -3.440 -0.116 0.000) 3.442 13.994 ( -40.252 -19.105 0.000) 44.555 14.420 ( 14.356 0.022 0.000) 14.356 14.452 ( -8.069 0.301 0.000) 8.074 16.237 ( 9.663 3.800 0.000) 10.383 17.143 ( 11.641 0.861 0.000) 11.673 ======================= Grid point 27 (20/155) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -11.612 3.928 0.000) 12.258 1.150 ( -7.225 14.862 0.000) 16.525 1.405 ( -21.800 4.765 0.000) 22.314 2.231 ( 4.681 -2.672 0.000) 5.390 2.472 ( -6.439 -5.073 0.000) 8.198 2.562 ( 12.435 -0.956 0.000) 12.472 2.708 ( -4.996 -0.230 0.000) 5.001 3.049 ( 2.516 -0.097 0.000) 2.518 3.167 ( -0.555 -1.002 0.000) 1.145 3.402 ( 5.151 0.597 0.000) 5.185 3.454 ( 2.389 0.642 0.000) 2.474 3.563 ( 7.409 1.904 0.000) 7.650 3.688 ( -10.859 0.293 0.000) 10.863 3.864 ( -6.867 0.035 0.000) 6.868 4.274 ( 4.810 0.164 0.000) 4.812 5.048 ( 3.180 -3.911 0.000) 5.040 5.361 ( 8.140 0.062 0.000) 8.140 5.537 ( 0.144 0.581 0.000) 0.598 7.025 ( -7.926 -0.190 0.000) 7.928 7.919 ( 1.652 0.026 0.000) 1.652 9.111 ( -21.250 -0.343 0.000) 21.253 10.334 ( 5.586 -0.021 0.000) 5.586 10.956 ( -25.094 0.040 0.000) 25.094 12.416 ( 5.551 11.473 0.000) 12.745 12.599 ( -3.665 -0.202 0.000) 3.670 13.522 ( -31.130 -26.680 0.000) 40.999 14.300 ( -8.401 0.258 0.000) 8.405 14.646 ( 10.860 0.029 0.000) 10.860 16.356 ( 7.239 3.807 0.000) 8.179 17.360 ( 13.901 1.746 0.000) 14.010 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -8.615 8.032 0.000) 11.778 0.706 ( -30.332 4.310 0.000) 30.637 1.127 ( -1.496 21.201 0.000) 21.254 2.220 ( -8.806 -6.636 0.000) 11.027 2.456 ( 1.779 2.027 0.000) 2.697 2.627 ( -2.445 -0.400 0.000) 2.477 2.763 ( 6.799 -2.313 0.000) 7.182 3.047 ( -1.490 1.779 0.000) 2.320 3.142 ( -1.469 1.033 0.000) 1.796 3.462 ( 2.134 1.564 0.000) 2.646 3.509 ( 5.162 -0.978 0.000) 5.253 3.539 ( -5.246 0.351 0.000) 5.257 3.685 ( 1.455 -1.448 0.000) 2.053 3.803 ( 1.127 -2.279 0.000) 2.543 4.402 ( 10.427 -0.652 0.000) 10.448 5.108 ( -0.876 -4.299 0.000) 4.387 5.471 ( 4.288 0.103 0.000) 4.289 5.523 ( -0.715 2.257 0.000) 2.368 6.910 ( -4.918 -0.244 0.000) 4.924 7.941 ( 0.855 0.024 0.000) 0.855 8.809 ( -12.724 -0.182 0.000) 12.726 10.417 ( 3.567 -0.009 0.000) 3.567 10.599 ( -14.643 0.060 0.000) 14.643 12.147 ( -26.733 -1.224 0.000) 26.761 12.546 ( -2.403 -0.266 0.000) 2.417 13.388 ( -6.073 -12.840 0.000) 14.204 14.170 ( -5.820 0.087 0.000) 5.820 14.791 ( 5.643 0.030 0.000) 5.643 16.423 ( 3.852 3.714 0.000) 5.351 17.585 ( 12.306 1.063 0.000) 12.351 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( 0.000 7.136 0.000) 7.136 0.442 ( 0.000 11.744 0.000) 11.744 0.923 ( 0.000 25.990 0.000) 25.990 2.142 ( -0.000 -3.249 0.000) 3.249 2.450 ( 0.000 3.654 0.000) 3.654 2.609 ( -0.000 -0.672 0.000) 0.672 2.847 ( -0.000 -2.624 0.000) 2.624 3.009 ( 0.000 2.203 0.000) 2.203 3.117 ( 0.000 1.761 0.000) 1.761 3.451 ( 0.000 1.517 0.000) 1.517 3.503 ( 0.000 0.844 0.000) 0.844 3.623 ( -0.000 -2.537 0.000) 2.537 3.647 ( -0.000 -3.170 0.000) 3.170 3.865 ( -0.000 -1.616 0.000) 1.616 4.611 ( -0.000 -9.474 0.000) 9.474 5.083 ( -0.000 -0.058 0.000) 0.058 5.477 ( 0.000 4.902 0.000) 4.902 5.508 ( 0.000 0.109 0.000) 0.109 6.867 ( -0.000 -0.249 0.000) 0.249 7.949 ( 0.000 0.022 0.000) 0.022 8.692 ( -0.000 -0.039 0.000) 0.039 10.450 ( -0.000 -0.002 0.000) 0.002 10.467 ( 0.000 0.063 0.000) 0.063 11.811 ( 0.000 0.026 0.000) 0.026 12.526 ( -0.000 -0.273 0.000) 0.273 13.394 ( -0.000 -2.463 0.000) 2.463 14.115 ( -0.000 -0.023 0.000) 0.023 14.841 ( 0.000 0.028 0.000) 0.028 16.428 ( 0.000 3.462 0.000) 3.462 17.720 ( -0.000 -1.573 0.000) 1.573 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -14.912 0.000 0.000) 14.912 1.344 ( 9.243 -0.000 0.000) 9.243 1.896 ( 4.516 -0.000 0.000) 4.516 2.001 ( 17.314 -0.000 0.000) 17.314 2.290 ( -16.476 0.000 0.000) 16.476 2.617 ( -8.471 0.000 0.000) 8.471 2.825 ( 4.679 -0.000 0.000) 4.679 2.955 ( -7.611 0.000 0.000) 7.611 3.121 ( 0.087 -0.000 0.000) 0.087 3.172 ( 7.399 -0.000 0.000) 7.399 3.242 ( 5.213 -0.000 0.000) 5.213 3.602 ( 1.488 -0.000 0.000) 1.488 4.130 ( 4.128 -0.000 0.000) 4.128 4.143 ( -11.874 0.000 0.000) 11.874 4.175 ( -5.535 0.000 0.000) 5.535 4.895 ( -0.116 0.000 0.000) 0.116 5.000 ( 10.260 -0.000 0.000) 10.260 5.532 ( 0.295 -0.000 0.000) 0.295 7.293 ( -5.585 0.000 0.000) 5.585 7.847 ( 1.952 -0.000 0.000) 1.952 9.922 ( -20.984 0.000 0.000) 20.984 10.155 ( 3.258 -0.000 0.000) 3.258 11.797 ( 27.941 -0.000 0.000) 27.941 11.885 ( -20.775 0.000 0.000) 20.775 12.711 ( -2.085 0.000 0.000) 2.085 14.174 ( 12.404 -0.000 0.000) 12.404 14.469 ( -36.116 0.000 0.000) 36.116 14.571 ( -4.711 0.000 0.000) 4.711 16.120 ( 9.701 -0.000 0.000) 9.701 16.979 ( 7.412 -0.000 0.000) 7.412 ======================= Grid point 35 (24/155) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -12.431 0.450 0.000) 12.439 1.439 ( 4.237 4.817 0.000) 6.415 1.889 ( -25.878 1.307 0.000) 25.911 2.046 ( 9.871 -0.906 0.000) 9.912 2.296 ( 15.934 -0.096 0.000) 15.934 2.484 ( -7.946 -3.075 0.000) 8.520 2.822 ( -7.280 0.161 0.000) 7.281 2.945 ( 7.185 -0.399 0.000) 7.196 3.126 ( 0.117 -0.772 0.000) 0.781 3.298 ( 6.901 -0.046 0.000) 6.901 3.351 ( 6.911 -0.287 0.000) 6.917 3.607 ( 0.200 2.211 0.000) 2.220 3.910 ( -13.505 0.061 0.000) 13.505 4.037 ( -9.486 0.685 0.000) 9.510 4.188 ( 2.409 -1.196 0.000) 2.690 4.930 ( 3.522 -0.626 0.000) 3.577 5.193 ( 10.857 0.005 0.000) 10.857 5.539 ( 0.562 0.188 0.000) 0.592 7.167 ( -8.230 -0.046 0.000) 8.230 7.885 ( 2.212 0.010 0.000) 2.213 9.511 ( -24.557 -0.324 0.000) 24.559 10.234 ( 5.405 -0.008 0.000) 5.405 11.437 ( -28.202 0.006 0.000) 28.202 12.304 ( 29.434 3.993 0.000) 29.703 12.661 ( -3.478 -0.044 0.000) 3.479 13.773 ( -45.226 -7.283 0.000) 45.809 14.421 ( 14.359 0.009 0.000) 14.359 14.455 ( -8.056 0.108 0.000) 8.057 16.281 ( 9.131 1.483 0.000) 9.250 17.150 ( 11.836 0.151 0.000) 11.837 ======================= Grid point 36 (25/155) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -9.531 2.236 0.000) 9.789 1.325 ( -23.699 6.528 0.000) 24.582 1.493 ( -3.443 5.375 0.000) 6.384 2.180 ( 0.375 -3.033 0.000) 3.056 2.426 ( 1.079 -1.157 0.000) 1.582 2.548 ( 12.115 -0.606 0.000) 12.131 2.705 ( -5.780 -0.089 0.000) 5.780 3.049 ( 3.830 0.141 0.000) 3.833 3.141 ( 0.309 -1.820 0.000) 1.846 3.410 ( 5.766 0.348 0.000) 5.777 3.468 ( 5.038 1.105 0.000) 5.158 3.595 ( 2.232 1.352 0.000) 2.610 3.692 ( -10.787 0.178 0.000) 10.789 3.860 ( -9.520 -0.229 0.000) 9.522 4.250 ( 3.403 -2.224 0.000) 4.066 5.009 ( 3.928 -1.207 0.000) 4.109 5.362 ( 8.178 0.042 0.000) 8.178 5.549 ( 1.034 0.700 0.000) 1.248 7.022 ( -7.963 -0.118 0.000) 7.964 7.920 ( 1.649 0.016 0.000) 1.649 9.105 ( -21.115 -0.350 0.000) 21.118 10.334 ( 5.594 -0.013 0.000) 5.594 10.957 ( -25.078 0.025 0.000) 25.078 12.596 ( -3.712 -0.125 0.000) 3.714 12.615 ( 1.535 13.033 0.000) 13.123 13.147 ( -25.821 -19.881 0.000) 32.587 14.304 ( -8.518 0.167 0.000) 8.519 14.646 ( 10.860 0.018 0.000) 10.860 16.408 ( 6.896 2.366 0.000) 7.291 17.374 ( 13.345 0.319 0.000) 13.348 ======================= Grid point 37 (26/155) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -6.032 5.446 0.000) 8.127 0.768 ( -31.122 3.251 0.000) 31.291 1.431 ( 2.594 15.457 0.000) 15.674 2.131 ( -6.492 -4.249 0.000) 7.759 2.493 ( 4.246 2.120 0.000) 4.746 2.622 ( -3.000 -0.257 0.000) 3.011 2.729 ( 6.398 -1.810 0.000) 6.649 3.075 ( 0.374 1.643 0.000) 1.685 3.147 ( -1.036 -0.324 0.000) 1.086 3.485 ( 2.912 1.222 0.000) 3.158 3.503 ( 2.957 0.322 0.000) 2.974 3.544 ( -5.389 0.203 0.000) 5.392 3.686 ( 2.073 1.016 0.000) 2.309 3.739 ( -2.536 -4.952 0.000) 5.563 4.348 ( 4.520 -4.626 0.000) 6.468 5.069 ( 1.587 -1.027 0.000) 1.891 5.472 ( 4.314 0.090 0.000) 4.315 5.561 ( 1.328 2.090 0.000) 2.476 6.906 ( -4.948 -0.198 0.000) 4.952 7.942 ( 0.853 0.019 0.000) 0.853 8.805 ( -12.551 -0.225 0.000) 12.553 10.417 ( 3.578 -0.007 0.000) 3.578 10.600 ( -14.632 0.048 0.000) 14.632 12.136 ( -31.810 -0.266 0.000) 31.811 12.542 ( -2.437 -0.215 0.000) 2.447 13.241 ( 8.210 -6.118 0.000) 10.239 14.171 ( -5.976 0.077 0.000) 5.977 14.792 ( 5.642 0.024 0.000) 5.642 16.480 ( 3.698 2.995 0.000) 4.759 17.587 ( 10.006 -0.364 0.000) 10.013 ======================= Grid point 38 (27/155) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 0.000 5.944 0.000) 5.944 0.608 ( 0.000 8.510 0.000) 8.510 1.307 ( 0.000 20.677 0.000) 20.677 2.089 ( -0.000 -3.113 0.000) 3.113 2.508 ( 0.000 3.221 0.000) 3.221 2.598 ( -0.000 -0.635 0.000) 0.635 2.804 ( -0.000 -2.418 0.000) 2.418 3.052 ( 0.000 3.048 0.000) 3.048 3.133 ( 0.000 0.211 0.000) 0.211 3.474 ( 0.000 1.205 0.000) 1.205 3.518 ( 0.000 0.907 0.000) 0.907 3.588 ( -0.000 -3.992 0.000) 3.992 3.613 ( 0.000 1.327 0.000) 1.327 3.813 ( -0.000 -4.572 0.000) 4.572 4.460 ( -0.000 -8.635 0.000) 8.635 5.082 ( -0.000 -0.031 0.000) 0.031 5.509 ( 0.000 0.117 0.000) 0.117 5.549 ( 0.000 3.762 0.000) 3.762 6.863 ( -0.000 -0.250 0.000) 0.250 7.949 ( 0.000 0.022 0.000) 0.022 8.692 ( -0.000 -0.038 0.000) 0.038 10.450 ( -0.000 -0.002 0.000) 0.002 10.468 ( 0.000 0.063 0.000) 0.063 11.811 ( 0.000 0.025 0.000) 0.025 12.521 ( -0.000 -0.273 0.000) 0.273 13.352 ( -0.000 -2.506 0.000) 2.506 14.114 ( -0.000 -0.023 0.000) 0.023 14.841 ( 0.000 0.028 0.000) 0.028 16.486 ( 0.000 3.444 0.000) 3.444 17.693 ( -0.000 -1.552 0.000) 1.552 ======================= Grid point 45 (28/155) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -8.802 0.000 0.000) 8.802 1.375 ( -31.721 0.000 0.000) 31.721 1.543 ( 5.057 -0.000 0.000) 5.057 2.152 ( -0.779 0.000 0.000) 0.779 2.419 ( 3.706 -0.000 0.000) 3.706 2.543 ( 11.968 -0.000 0.000) 11.968 2.704 ( -6.044 0.000 0.000) 6.044 3.052 ( 4.818 -0.000 0.000) 4.818 3.122 ( -0.019 0.000 0.000) 0.019 3.413 ( 5.992 -0.000 0.000) 5.992 3.480 ( 7.712 -0.000 0.000) 7.712 3.603 ( -1.907 0.000 0.000) 1.907 3.694 ( -10.761 0.000 0.000) 10.761 3.859 ( -9.898 0.000 0.000) 9.898 4.228 ( 2.822 -0.000 0.000) 2.822 5.000 ( 4.236 -0.000 0.000) 4.236 5.362 ( 8.193 -0.000 0.000) 8.193 5.555 ( 1.344 -0.000 0.000) 1.344 7.021 ( -7.977 0.000 0.000) 7.977 7.920 ( 1.648 -0.000 0.000) 1.648 9.102 ( -21.034 0.000 0.000) 21.034 10.334 ( 5.597 -0.000 0.000) 5.597 10.957 ( -25.073 0.000 0.000) 25.073 12.595 ( -3.730 0.000 0.000) 3.730 12.812 ( 25.038 -0.000 0.000) 25.038 12.896 ( -48.696 0.000 0.000) 48.696 14.305 ( -8.562 0.000 0.000) 8.562 14.646 ( 10.861 -0.000 0.000) 10.861 16.428 ( 6.754 -0.000 0.000) 6.754 17.376 ( 13.143 -0.000 0.000) 13.143 ======================= Grid point 47 (29/155) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -4.822 1.908 0.000) 5.186 0.806 ( -30.987 1.304 0.000) 31.014 1.608 ( 4.259 5.712 0.000) 7.125 2.084 ( -5.039 -1.539 0.000) 5.269 2.518 ( 4.988 0.844 0.000) 5.059 2.619 ( -3.454 -0.075 0.000) 3.455 2.708 ( 6.293 -0.689 0.000) 6.331 3.101 ( 1.650 1.583 0.000) 2.286 3.134 ( 0.322 -1.233 0.000) 1.274 3.499 ( 3.645 0.475 0.000) 3.675 3.528 ( -1.532 2.669 0.000) 3.077 3.546 ( -5.771 0.044 0.000) 5.771 3.633 ( 4.105 -5.256 0.000) 6.670 3.727 ( -4.401 1.315 0.000) 4.593 4.286 ( 2.507 -2.327 0.000) 3.421 5.062 ( 2.330 -0.146 0.000) 2.334 5.473 ( 4.331 0.036 0.000) 4.331 5.585 ( 2.108 0.798 0.000) 2.254 6.904 ( -4.966 -0.076 0.000) 4.967 7.942 ( 0.852 0.007 0.000) 0.852 8.803 ( -12.360 -0.095 0.000) 12.360 10.417 ( 3.584 -0.003 0.000) 3.584 10.600 ( -14.625 0.018 0.000) 14.625 12.135 ( -34.150 -0.010 0.000) 34.150 12.539 ( -2.459 -0.082 0.000) 2.460 13.177 ( 14.155 -1.938 0.000) 14.287 14.172 ( -6.080 0.028 0.000) 6.080 14.792 ( 5.642 0.009 0.000) 5.642 16.515 ( 3.596 1.142 0.000) 3.773 17.581 ( 9.173 -0.252 0.000) 9.177 ======================= Grid point 48 (30/155) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 3.469 0.000) 3.469 0.715 ( 0.000 4.463 0.000) 4.463 1.577 ( 0.000 11.861 0.000) 11.861 2.046 ( -0.000 -1.954 0.000) 1.954 2.550 ( 0.000 1.831 0.000) 1.831 2.590 ( -0.000 -0.373 0.000) 0.373 2.772 ( -0.000 -1.419 0.000) 1.419 3.101 ( 0.000 2.702 0.000) 2.702 3.132 ( -0.000 -0.039 0.000) 0.039 3.489 ( 0.000 0.621 0.000) 0.621 3.526 ( -0.000 -3.248 0.000) 3.248 3.531 ( 0.000 0.586 0.000) 0.586 3.649 ( 0.000 2.270 0.000) 2.270 3.733 ( -0.000 -4.389 0.000) 4.389 4.343 ( -0.000 -5.312 0.000) 5.312 5.081 ( -0.000 -0.006 0.000) 0.006 5.511 ( 0.000 0.076 0.000) 0.076 5.596 ( 0.000 1.983 0.000) 1.983 6.860 ( -0.000 -0.155 0.000) 0.155 7.949 ( 0.000 0.013 0.000) 0.013 8.691 ( -0.000 -0.023 0.000) 0.023 10.450 ( -0.000 -0.001 0.000) 0.001 10.468 ( 0.000 0.039 0.000) 0.039 11.811 ( 0.000 0.016 0.000) 0.016 12.517 ( -0.000 -0.169 0.000) 0.169 13.318 ( -0.000 -1.571 0.000) 1.571 14.114 ( -0.000 -0.014 0.000) 0.014 14.842 ( 0.000 0.018 0.000) 0.018 16.533 ( 0.000 2.120 0.000) 2.120 17.672 ( -0.000 -0.949 0.000) 0.949 ======================= Grid point 58 (31/155) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.000 0.000 0.000) 0.000 0.751 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.691 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 13.305 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.842 ( 0.000 0.000 0.000) 0.000 16.551 ( 0.000 0.000 0.000) 0.000 17.664 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.000 0.000 14.967) 14.967 0.390 ( 0.000 0.000 19.495) 19.495 0.905 ( 0.000 0.000 43.074) 43.074 2.227 ( 0.000 0.000 1.830) 1.830 2.331 ( 0.000 0.000 -4.100) 4.100 2.751 ( 0.000 0.000 -9.572) 9.572 2.977 ( 0.000 0.000 0.031) 0.031 3.075 ( 0.000 0.000 0.461) 0.461 3.171 ( 0.000 0.000 -1.444) 1.444 3.418 ( 0.000 0.000 -0.603) 0.603 3.502 ( 0.000 0.000 1.839) 1.839 3.524 ( 0.000 0.000 2.276) 2.276 3.720 ( 0.000 0.000 2.244) 2.244 3.872 ( 0.000 0.000 1.836) 1.836 3.901 ( 0.000 0.000 -1.866) 1.866 5.043 ( 0.000 0.000 -4.059) 4.059 5.336 ( 0.000 0.000 -2.368) 2.368 5.506 ( 0.000 0.000 -0.103) 0.103 7.129 ( 0.000 0.000 24.324) 24.324 8.210 ( 0.000 0.000 17.606) 17.606 8.724 ( 0.000 0.000 3.042) 3.042 10.517 ( 0.000 0.000 4.963) 4.963 11.719 ( 0.000 0.000 -8.324) 8.324 12.205 ( 0.000 0.000 -11.755) 11.755 12.607 ( 0.000 0.000 6.896) 6.896 14.061 ( 0.000 0.000 -5.348) 5.348 14.918 ( 0.000 0.000 7.551) 7.551 15.559 ( 0.000 0.000 5.882) 5.882 16.335 ( 0.000 0.000 -2.831) 2.831 17.054 ( 0.000 0.000 -4.597) 4.597 ======================= Grid point 106 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 5.207 -12.922 11.713) 18.201 0.644 ( 19.061 -1.536 14.270) 23.860 1.073 ( 17.826 -1.318 34.101) 38.502 2.306 ( 0.108 1.535 -4.517) 4.772 2.356 ( 7.804 -0.349 -7.039) 10.515 2.705 ( -5.102 0.521 -8.174) 9.650 2.958 ( -1.830 0.272 -0.317) 1.877 3.081 ( 0.621 0.855 1.269) 1.652 3.121 ( 2.626 10.779 3.377) 11.597 3.404 ( -1.810 0.061 -1.172) 2.158 3.477 ( -2.291 -5.609 0.369) 6.071 3.539 ( -3.823 -2.026 1.212) 4.493 3.690 ( -1.626 -4.281 4.387) 6.342 3.815 ( -1.273 3.255 1.439) 3.780 3.990 ( 0.956 -8.403 -3.888) 9.308 5.191 ( 7.555 2.437 -12.840) 15.096 5.339 ( 2.600 -0.382 -4.260) 5.005 5.476 ( -3.408 0.074 0.545) 3.452 7.176 ( 5.068 0.166 24.220) 24.745 8.175 ( -2.856 0.590 18.991) 19.213 8.830 ( 11.845 -0.118 2.795) 12.171 10.648 ( 14.531 -0.021 4.852) 15.320 11.480 ( -21.599 4.015 36.880) 42.927 12.127 ( -4.833 2.086 -10.505) 11.750 12.515 ( -3.611 -1.398 2.053) 4.383 14.106 ( 4.914 0.036 -5.534) 7.401 14.854 ( -4.659 7.786 8.770) 12.619 15.017 ( -6.250 43.882 23.334) 50.092 16.303 ( -4.004 -0.974 -3.044) 5.123 17.118 ( -7.425 -17.528 -9.174) 21.131 ======================= Grid point 107 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 7.389 -15.072 8.933) 19.015 0.965 ( 15.585 -3.000 16.673) 23.020 1.470 ( 23.999 0.138 17.527) 29.718 2.248 ( -5.117 0.683 -2.340) 5.668 2.500 ( 8.525 2.723 -9.516) 13.063 2.565 ( -9.622 0.458 -3.947) 10.410 2.925 ( -1.222 0.545 0.043) 1.339 3.075 ( 1.929 4.726 3.837) 6.386 3.132 ( 2.546 1.129 -0.962) 2.946 3.365 ( -2.887 -0.509 -1.172) 3.157 3.442 ( -4.996 1.657 -1.498) 5.472 3.456 ( -5.999 -4.410 -1.097) 7.526 3.695 ( 0.545 2.561 -0.909) 2.772 3.875 ( 6.953 -6.863 8.886) 13.206 4.052 ( 0.619 -3.935 -6.525) 7.645 5.166 ( -3.655 3.897 -6.252) 8.224 5.387 ( -6.432 0.372 2.269) 6.831 5.427 ( 4.234 0.202 -8.810) 9.777 7.289 ( 7.666 0.354 24.147) 25.337 8.120 ( -2.913 0.283 18.746) 18.974 9.125 ( 20.917 -0.280 2.096) 21.023 11.003 ( 24.908 -0.028 4.669) 25.342 11.107 ( -15.242 3.757 57.129) 59.246 12.002 ( -12.671 -6.503 -10.014) 17.410 12.546 ( 5.107 0.014 -4.327) 6.694 14.220 ( 7.550 -0.033 -6.068) 9.686 14.689 ( 0.927 17.094 5.860) 18.094 14.782 ( 0.870 18.077 8.323) 19.920 16.211 ( -7.742 -1.785 -3.421) 8.650 17.071 ( -9.347 -9.280 -8.460) 15.654 ======================= Grid point 108 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 8.356 -13.267 7.668) 17.454 1.249 ( 14.647 -1.918 16.657) 22.263 1.858 ( 19.908 -0.031 6.072) 20.813 2.118 ( -8.113 2.419 -0.353) 8.473 2.351 ( -13.228 -0.270 3.636) 13.722 2.640 ( 9.411 3.631 -8.456) 13.162 2.893 ( -3.337 -0.272 -2.896) 4.427 3.068 ( 1.671 4.221 6.172) 7.662 3.155 ( -0.199 -1.148 -2.002) 2.316 3.305 ( -6.178 0.788 -0.508) 6.249 3.331 ( -5.030 -0.474 -3.448) 6.116 3.394 ( -1.580 0.424 -1.567) 2.265 3.728 ( 4.186 -1.542 -7.048) 8.341 4.075 ( 1.350 -2.827 -8.302) 8.873 4.104 ( 10.302 -4.186 10.755) 15.470 5.053 ( -5.197 3.682 -3.991) 7.516 5.249 ( -8.467 0.863 4.861) 9.802 5.471 ( 1.394 0.389 -5.926) 6.100 7.427 ( 8.034 0.391 23.971) 25.285 8.066 ( -3.073 0.007 17.644) 17.909 9.539 ( 25.172 -0.019 1.248) 25.203 10.877 ( -8.827 1.709 55.656) 56.377 11.481 ( 27.823 -0.155 4.265) 28.148 11.781 ( -18.636 -7.757 -8.577) 21.933 12.647 ( 5.541 0.162 -1.823) 5.835 14.333 ( 2.535 0.036 -5.824) 6.352 14.534 ( -8.267 -0.114 6.755) 10.676 14.774 ( 16.581 23.779 -2.944) 29.138 16.064 ( -10.722 -2.622 -4.055) 11.759 16.965 ( -8.493 -4.355 -8.513) 12.789 ======================= Grid point 109 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 7.526 -9.089 6.824) 13.631 1.505 ( 13.138 -0.245 13.684) 18.972 1.942 ( -8.112 3.561 1.257) 8.948 2.117 ( -11.794 -1.292 10.071) 15.563 2.170 ( 13.424 -0.919 0.430) 13.462 2.765 ( 4.955 3.373 -7.753) 9.800 2.788 ( -4.923 1.271 -4.976) 7.114 3.087 ( 3.131 1.760 5.635) 6.683 3.147 ( -5.010 -1.929 -0.868) 5.438 3.165 ( -3.052 1.744 -1.381) 3.777 3.269 ( -4.279 -1.410 3.284) 5.575 3.387 ( 0.592 0.721 -7.481) 7.539 3.849 ( 6.829 -2.152 -11.452) 13.506 4.074 ( -1.385 0.246 -11.856) 11.939 4.339 ( 10.188 -4.152 12.669) 16.779 4.938 ( -4.633 2.685 -2.077) 5.744 5.093 ( -7.501 1.117 7.503) 10.668 5.481 ( 0.281 0.164 -3.774) 3.788 7.549 ( 5.711 0.287 24.212) 24.878 8.015 ( -2.648 -0.101 16.408) 16.620 9.961 ( 21.246 0.556 0.686) 21.265 10.759 ( -3.763 0.527 54.290) 54.423 11.490 ( -18.232 -5.346 -8.723) 20.907 11.933 ( 20.737 0.023 4.805) 21.287 12.721 ( 2.883 0.092 0.716) 2.972 14.210 ( -11.057 0.028 3.227) 11.518 14.534 ( 3.684 -0.426 -2.396) 4.415 14.911 ( 14.650 13.490 -6.273) 20.879 15.896 ( -10.108 -2.817 -4.982) 11.616 16.864 ( -5.308 -1.589 -8.835) 10.429 ======================= Grid point 110 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 -0.000 6.459) 6.459 1.656 ( 0.000 -0.000 8.082) 8.082 1.838 ( 0.000 0.000 1.800) 1.800 1.972 ( -0.000 -0.000 19.049) 19.049 2.338 ( 0.000 -0.000 -3.482) 3.482 2.664 ( 0.000 -0.000 -6.226) 6.226 2.843 ( 0.000 0.000 -7.456) 7.456 3.070 ( 0.000 -0.000 -1.175) 1.175 3.117 ( 0.000 -0.000 0.587) 0.587 3.162 ( 0.000 -0.000 4.282) 4.282 3.223 ( 0.000 -0.000 5.093) 5.093 3.390 ( 0.000 -0.000 -9.016) 9.016 3.944 ( -0.000 0.000 -14.315) 14.315 4.041 ( 0.000 -0.000 -11.563) 11.563 4.466 ( -0.000 -0.000 12.532) 12.532 4.873 ( 0.000 -0.000 -0.824) 0.824 5.013 ( 0.000 -0.000 8.427) 8.427 5.482 ( 0.000 -0.000 -3.054) 3.054 7.602 ( 0.000 -0.000 24.644) 24.644 7.988 ( 0.000 -0.000 15.617) 15.617 10.172 ( 0.000 -0.000 1.008) 1.008 10.729 ( 0.000 -0.000 54.151) 54.151 11.320 ( 0.000 -0.000 -9.257) 9.257 12.132 ( -0.000 -0.000 4.847) 4.847 12.746 ( 0.000 -0.000 1.458) 1.458 14.095 ( 0.000 -0.000 4.326) 4.326 14.574 ( 0.000 -0.000 -3.669) 3.669 15.000 ( -0.000 -0.000 -6.570) 6.570 15.806 ( 0.000 0.000 -5.595) 5.595 16.821 ( 0.000 -0.000 -8.987) 8.987 ======================= Grid point 117 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 10.356 -0.000 12.221) 16.019 0.940 ( 16.234 -0.000 16.738) 23.317 1.471 ( 24.390 -0.000 18.513) 30.621 2.253 ( -4.583 0.000 -2.192) 5.080 2.522 ( 7.118 -0.000 -9.466) 11.844 2.570 ( -8.468 0.000 -5.300) 9.990 2.927 ( -1.819 0.000 -2.775) 3.317 3.091 ( 0.562 -0.000 1.340) 1.453 3.201 ( 0.285 -0.000 -3.206) 3.219 3.365 ( -1.464 0.000 5.228) 5.429 3.382 ( -2.936 0.000 -0.118) 2.938 3.458 ( -5.567 0.000 -1.367) 5.732 3.741 ( -5.311 0.000 -0.531) 5.338 3.786 ( 11.181 -0.000 7.936) 13.711 4.020 ( 3.433 -0.000 -4.713) 5.831 5.200 ( -4.392 0.000 -6.771) 8.070 5.390 ( -6.330 0.000 2.631) 6.855 5.430 ( 4.662 -0.000 -10.043) 11.073 7.292 ( 7.659 -0.000 24.202) 25.385 8.122 ( -3.129 0.000 18.757) 19.016 9.122 ( 20.942 -0.000 2.277) 21.065 11.002 ( 24.956 -0.000 4.600) 25.377 11.142 ( -17.047 0.000 58.131) 60.579 11.945 ( -13.658 0.000 -10.277) 17.093 12.546 ( 5.451 -0.000 -4.298) 6.942 14.219 ( 7.480 -0.000 -6.060) 9.627 14.726 ( -10.489 0.000 7.599) 12.952 15.083 ( -1.402 0.000 1.857) 2.327 16.197 ( -7.588 0.000 -3.449) 8.335 16.968 ( -4.427 0.000 -5.883) 7.363 ======================= Grid point 118 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 12.393 -5.902 9.749) 16.836 1.226 ( 15.985 -0.780 15.941) 22.589 1.859 ( 19.218 0.033 7.509) 20.633 2.148 ( -6.919 1.102 -0.228) 7.010 2.348 ( -13.519 -0.069 3.241) 13.902 2.681 ( 8.708 1.315 -8.163) 12.008 2.890 ( -2.922 -0.128 -3.844) 4.830 3.101 ( 0.530 -0.168 3.655) 3.697 3.165 ( -2.527 1.973 -2.005) 3.781 3.313 ( -3.712 0.542 0.013) 3.752 3.327 ( -5.819 -0.661 -0.795) 5.910 3.400 ( -0.867 0.296 -2.894) 3.035 3.702 ( 2.094 -1.180 -3.826) 4.518 4.016 ( 11.513 -2.408 3.120) 12.169 4.076 ( 3.644 -0.614 -2.106) 4.254 5.098 ( -6.021 1.495 -4.978) 7.954 5.259 ( -8.245 0.340 5.734) 10.049 5.477 ( 1.236 0.245 -6.892) 7.007 7.432 ( 7.974 0.173 24.163) 25.446 8.067 ( -3.204 0.022 17.609) 17.898 9.538 ( 25.461 -0.072 1.479) 25.504 10.900 ( -10.219 0.862 57.349) 58.258 11.478 ( 27.133 -0.139 3.803) 27.399 11.689 ( -15.985 -3.070 -8.368) 18.302 12.649 ( 5.459 0.059 -1.754) 5.734 14.334 ( 2.839 0.006 -5.745) 6.408 14.530 ( -9.198 -0.179 6.848) 11.469 15.076 ( 5.992 10.827 -5.695) 13.622 16.040 ( -10.242 -0.490 -4.077) 11.035 16.897 ( -5.388 -2.965 -7.348) 9.582 ======================= Grid point 119 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 12.477 -6.173 7.698) 15.907 1.501 ( 14.160 -0.271 13.318) 19.440 1.999 ( -7.639 3.002 1.351) 8.318 2.096 ( -8.570 -1.084 6.669) 10.913 2.164 ( 9.376 -0.105 4.017) 10.201 2.799 ( 0.398 1.081 -6.594) 6.694 2.808 ( -1.587 0.889 -5.163) 5.474 3.110 ( -0.294 0.957 0.996) 1.412 3.119 ( -1.460 -1.232 3.395) 3.896 3.191 ( -5.359 1.276 -1.576) 5.730 3.252 ( -4.449 -0.648 2.412) 5.102 3.402 ( 1.036 0.928 -7.092) 7.227 3.811 ( 7.096 -2.250 -8.617) 11.388 4.074 ( -0.849 -0.165 -11.965) 11.996 4.283 ( 12.292 -2.509 10.673) 16.471 4.979 ( -5.542 2.024 -3.216) 6.719 5.108 ( -7.800 0.702 8.821) 11.796 5.484 ( 0.082 0.154 -4.324) 4.327 7.553 ( 5.565 0.220 24.447) 25.074 8.013 ( -2.645 -0.050 16.289) 16.502 9.967 ( 21.408 0.219 0.868) 21.427 10.765 ( -4.755 0.231 55.142) 55.348 11.418 ( -14.374 -3.181 -8.756) 17.129 11.934 ( 20.722 0.016 4.831) 21.277 12.722 ( 2.822 0.053 0.744) 2.919 14.210 ( -11.161 0.014 3.320) 11.644 14.528 ( 4.014 -0.292 -2.524) 4.751 15.091 ( 2.666 7.821 -7.164) 10.936 15.875 ( -7.271 0.147 -5.244) 8.966 16.834 ( -3.655 -1.826 -8.436) 9.374 ======================= Grid point 120 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 8.596 -1.924 6.469) 10.929 1.655 ( -0.936 -0.127 7.996) 8.052 1.865 ( -3.250 2.843 1.772) 4.667 1.972 ( 1.837 -0.033 18.969) 19.058 2.337 ( 3.611 -0.156 -3.494) 5.027 2.671 ( -4.108 0.781 -6.038) 7.344 2.821 ( -4.842 -2.436 -7.194) 9.007 3.078 ( 1.284 0.867 -0.772) 1.731 3.118 ( 0.174 0.079 1.089) 1.106 3.161 ( -2.901 -0.134 4.138) 5.055 3.212 ( 2.202 -1.162 4.307) 4.975 3.406 ( 0.431 1.639 -9.459) 9.610 3.935 ( 3.544 -0.958 -12.980) 13.489 4.035 ( -2.577 -0.598 -11.979) 12.268 4.461 ( 4.502 -0.506 11.926) 12.758 4.887 ( -2.305 1.432 -1.130) 2.939 5.012 ( -1.513 -0.064 8.881) 9.010 5.483 ( -0.114 0.010 -3.284) 3.286 7.603 ( -0.272 0.058 24.674) 24.676 7.988 ( 0.151 0.009 15.624) 15.625 10.170 ( -1.283 -0.208 0.999) 1.639 10.724 ( -0.585 -0.541 54.243) 54.249 11.326 ( 5.814 0.631 -9.298) 10.984 12.132 ( -0.017 0.004 4.849) 4.849 12.746 ( -0.101 -0.007 1.454) 1.457 14.095 ( 0.012 -0.005 4.322) 4.322 14.573 ( 0.348 -0.050 -3.656) 3.673 14.978 ( -13.614 -2.264 -6.024) 15.059 15.837 ( 4.880 3.230 -6.219) 8.540 16.816 ( 0.947 -0.547 -8.930) 8.996 ======================= Grid point 121 (42/155) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.007 7.935 6.061) 10.036 1.507 ( -12.000 0.008 13.890) 18.355 1.896 ( 7.087 -1.783 0.954) 7.370 2.134 ( 12.716 0.795 12.536) 17.874 2.198 ( -14.710 2.398 -2.036) 15.042 2.690 ( -7.026 -5.641 -7.631) 11.807 2.769 ( 5.942 -1.038 -5.394) 8.092 3.059 ( -5.150 -1.495 7.027) 8.840 3.137 ( 1.869 -1.461 -1.213) 2.664 3.174 ( 5.480 1.247 -1.131) 5.733 3.286 ( 4.720 0.215 4.023) 6.205 3.390 ( -0.723 1.365 -9.993) 10.112 3.879 ( -6.621 1.593 -12.607) 14.329 4.061 ( 2.114 -1.418 -11.655) 11.929 4.406 ( -7.773 3.757 14.406) 16.795 4.901 ( 3.005 -1.646 -1.177) 3.623 5.074 ( 7.206 -1.092 6.192) 9.563 5.479 ( -0.405 -0.098 -3.666) 3.690 7.545 ( -5.883 -0.215 23.980) 24.692 8.016 ( 2.678 0.124 16.579) 16.794 9.950 ( -21.048 -0.772 0.708) 21.074 10.749 ( 3.219 -0.632 53.807) 53.907 11.581 ( 22.366 5.562 -9.332) 24.865 11.933 ( -20.760 -0.019 4.777) 21.303 12.720 ( -2.955 -0.101 0.672) 3.033 14.209 ( 10.928 -0.027 3.108) 11.361 14.541 ( -3.260 0.360 -2.215) 3.958 14.685 ( -25.287 -13.256 -4.692) 28.935 15.958 ( 11.118 4.400 -5.610) 13.208 16.881 ( 6.447 0.618 -9.024) 11.107 ======================= Grid point 122 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -4.239 14.424 5.654) 16.062 1.284 ( -12.328 2.131 17.756) 21.721 1.860 ( -20.854 0.265 3.616) 21.167 2.079 ( 9.366 -2.145 -0.681) 9.633 2.357 ( 12.676 0.519 4.483) 13.455 2.568 ( -9.693 -5.024 -7.730) 13.377 2.896 ( 3.856 0.052 -1.982) 4.336 2.998 ( -3.005 -3.995 6.473) 8.179 3.164 ( 0.244 -0.572 -1.328) 1.466 3.294 ( 7.282 -0.281 -1.564) 7.453 3.352 ( 2.612 1.947 -5.839) 6.687 3.385 ( 2.754 -0.709 -0.702) 2.929 3.750 ( -5.700 1.406 -8.419) 10.264 4.096 ( 1.319 0.416 -9.802) 9.899 4.196 ( -10.269 5.649 13.492) 17.871 4.990 ( 4.085 -3.756 -2.392) 6.043 5.233 ( 8.802 -1.019 3.509) 9.530 5.466 ( -1.376 -0.181 -5.320) 5.499 7.420 ( -8.109 -0.389 23.696) 25.048 8.067 ( 2.928 0.067 17.746) 17.986 9.537 ( -24.759 -0.243 1.181) 24.788 10.851 ( 7.457 -1.452 54.310) 54.839 11.482 ( -28.106 0.073 4.490) 28.463 11.925 ( 21.581 9.439 -9.637) 25.449 12.644 ( -5.703 -0.217 -1.951) 6.032 14.330 ( -3.711 -2.571 -5.651) 7.233 14.354 ( -26.722 -21.690 -1.157) 34.436 14.554 ( 8.549 0.012 7.447) 11.337 16.120 ( 10.638 3.955 -4.593) 12.244 17.021 ( 10.482 2.420 -9.196) 14.153 ======================= Grid point 123 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -4.728 17.380 5.755) 18.909 1.031 ( -13.825 5.081 16.289) 21.961 1.469 ( -22.532 0.218 14.665) 26.885 2.231 ( 5.426 -1.468 -2.811) 6.285 2.444 ( -7.762 -3.554 -7.229) 11.186 2.559 ( 9.703 -0.278 -2.431) 10.006 2.892 ( -3.074 -3.500 8.832) 9.985 3.010 ( -0.417 -1.512 -2.604) 3.040 3.150 ( -1.380 1.295 -1.118) 2.198 3.374 ( 3.412 0.382 -1.883) 3.916 3.413 ( 4.245 -1.561 -3.132) 5.501 3.496 ( 7.714 0.850 -1.786) 7.963 3.671 ( -2.417 -0.333 -2.450) 3.458 3.965 ( -9.247 3.989 10.129) 14.283 4.133 ( 4.037 4.973 -8.054) 10.291 5.089 ( 2.567 -5.045 -4.421) 7.182 5.378 ( 6.748 -0.612 1.501) 6.940 5.427 ( -3.234 0.222 -7.648) 8.307 7.282 ( -7.663 -0.452 23.984) 25.182 8.115 ( 2.528 -0.231 18.715) 18.886 9.129 ( -20.874 0.154 1.913) 20.962 11.003 ( -24.560 0.027 5.143) 25.093 11.041 ( 11.808 -3.815 55.373) 56.747 12.134 ( 9.210 9.203 -10.393) 16.660 12.547 ( -3.830 0.103 -4.454) 5.875 14.112 ( -25.807 -34.952 8.751) 44.319 14.228 ( -7.722 -1.313 -6.202) 9.990 14.744 ( 10.541 0.256 8.822) 13.748 16.254 ( 7.742 3.315 -3.833) 9.253 17.195 ( 12.479 5.340 -10.280) 17.028 ======================= Grid point 124 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -12.228 11.759 8.480) 18.966 0.692 ( -12.306 10.537 10.022) 19.050 1.122 ( -13.151 4.967 31.004) 34.042 2.257 ( -5.518 -4.116 -4.488) 8.217 2.376 ( -0.115 2.011 -3.614) 4.138 2.691 ( 4.356 -1.059 -6.248) 7.690 2.893 ( -1.488 -7.656 11.107) 13.572 3.000 ( -0.922 -0.018 -1.594) 1.842 3.112 ( -1.039 1.825 -0.135) 2.104 3.418 ( 1.986 1.346 -2.280) 3.310 3.504 ( -0.498 -0.570 -2.209) 2.335 3.545 ( 4.648 -0.712 0.581) 4.738 3.729 ( 5.771 -1.929 -0.372) 6.096 3.814 ( -4.261 3.344 3.560) 6.482 4.165 ( 6.205 10.154 -9.660) 15.327 5.127 ( -4.414 -4.659 -7.660) 9.994 5.354 ( -3.216 1.410 -6.574) 7.452 5.473 ( 3.538 -0.266 0.199) 3.554 7.172 ( -4.934 -0.350 24.240) 24.740 8.161 ( 2.125 -0.916 19.356) 19.494 8.832 ( -12.052 0.137 2.639) 12.338 10.648 ( -14.527 0.054 4.861) 15.318 11.369 ( 20.213 -8.461 48.117) 52.872 12.082 ( -9.684 -2.643 -7.324) 12.426 12.549 ( 4.458 2.479 0.832) 5.168 14.035 ( -17.878 -42.582 26.060) 53.028 14.119 ( -7.669 -6.949 -1.167) 10.415 14.888 ( 5.758 0.134 9.061) 10.737 16.333 ( 4.048 2.674 -3.347) 5.894 17.357 ( 12.018 9.157 -14.228) 20.754 ======================= Grid point 125 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 1.325 18.248) 18.296 0.498 ( 0.000 19.156 8.338) 20.892 0.954 ( 0.000 6.068 39.768) 40.229 2.202 ( -0.000 -2.634 1.131) 2.867 2.361 ( 0.000 3.071 -3.363) 4.554 2.737 ( -0.000 -1.571 -7.359) 7.525 2.968 ( -0.000 -12.868 11.391) 17.185 2.985 ( 0.000 0.992 -0.051) 0.994 3.090 ( 0.000 1.354 0.322) 1.392 3.423 ( 0.000 1.190 -2.083) 2.399 3.468 ( 0.000 0.429 -0.862) 0.963 3.673 ( -0.000 -0.240 0.095) 0.258 3.707 ( -0.000 -1.507 2.394) 2.829 3.817 ( 0.000 2.181 -3.751) 4.339 4.134 ( 0.000 17.052 -14.441) 22.345 5.043 ( -0.000 -0.052 -4.062) 4.062 5.329 ( -0.000 -0.272 -3.031) 3.043 5.505 ( -0.000 -0.096 -0.221) 0.240 7.127 ( -0.000 -0.156 24.323) 24.323 8.195 ( -0.000 -1.523 18.709) 18.771 8.724 ( -0.000 -0.013 3.050) 3.050 10.517 ( 0.000 0.043 4.966) 4.966 11.719 ( -0.000 -0.003 -8.333) 8.333 12.017 ( -0.000 -21.486 19.895) 29.282 12.606 ( -0.000 -0.120 6.930) 6.931 14.061 ( -0.000 -0.010 -5.344) 5.344 14.346 ( -0.000 -78.816 61.456) 99.944 14.941 ( -0.000 -1.143 10.150) 10.214 16.351 ( 0.000 1.898 -3.057) 3.598 17.395 ( 0.000 15.766 -21.049) 26.298 ======================= Grid point 128 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 14.498 -0.000 8.132) 16.623 1.498 ( 14.570 -0.000 13.136) 19.618 2.026 ( -7.298 0.000 1.403) 7.431 2.086 ( -7.344 0.000 5.425) 9.130 2.163 ( 7.764 -0.000 5.316) 9.410 2.807 ( 3.907 -0.000 -6.518) 7.600 2.814 ( -5.881 0.000 -4.865) 7.633 3.110 ( 0.458 -0.000 6.156) 6.173 3.117 ( -2.243 0.000 -1.835) 2.898 3.202 ( -6.131 0.000 -1.511) 6.315 3.247 ( -4.576 0.000 2.086) 5.029 3.411 ( 1.354 -0.000 -7.489) 7.610 3.790 ( 7.401 -0.000 -6.853) 10.087 4.072 ( -0.692 0.000 -11.991) 12.011 4.262 ( 13.134 -0.000 9.671) 16.310 4.996 ( -5.800 0.000 -3.742) 6.903 5.114 ( -7.937 0.000 9.421) 12.318 5.485 ( -0.027 0.000 -4.667) 4.667 7.555 ( 5.506 -0.000 24.549) 25.159 8.013 ( -2.650 0.000 16.249) 16.463 9.969 ( 21.475 -0.000 0.993) 21.498 10.767 ( -5.305 0.000 55.601) 55.854 11.392 ( -12.724 0.000 -8.911) 15.534 11.934 ( 20.716 -0.000 4.842) 21.275 12.723 ( 2.798 -0.000 0.753) 2.897 14.210 ( -11.200 0.000 3.353) 11.691 14.526 ( 4.138 -0.000 -2.570) 4.871 15.154 ( -2.964 0.000 -7.238) 7.821 15.881 ( -5.703 0.000 -5.778) 8.118 16.816 ( -2.666 0.000 -8.166) 8.590 ======================= Grid point 129 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 13.165 -1.099 6.513) 14.729 1.653 ( -1.498 -0.078 7.864) 8.005 1.909 ( -4.417 1.793 1.709) 5.064 1.971 ( 3.054 -0.033 18.817) 19.063 2.333 ( 5.750 -0.212 -3.510) 6.740 2.686 ( -7.324 0.804 -5.700) 9.316 2.781 ( -6.393 -1.785 -6.770) 9.482 3.093 ( -0.000 0.739 -0.560) 0.927 3.118 ( 1.671 -0.116 2.492) 3.003 3.159 ( -4.894 -0.067 3.903) 6.260 3.195 ( 3.345 -0.676 3.069) 4.590 3.430 ( 0.919 0.921 -10.472) 10.552 3.920 ( 6.035 -0.692 -10.569) 12.190 4.027 ( -4.318 -0.336 -12.837) 13.548 4.454 ( 6.880 -0.242 11.000) 12.977 4.909 ( -3.327 0.874 -1.899) 3.930 5.011 ( -2.512 -0.085 9.869) 10.184 5.483 ( -0.193 0.007 -3.665) 3.670 7.604 ( -0.445 0.036 24.723) 24.727 7.989 ( 0.245 0.005 15.636) 15.638 10.167 ( -2.071 -0.131 0.994) 2.301 10.716 ( -0.763 -0.322 54.401) 54.407 11.336 ( 9.239 0.379 -9.382) 13.173 12.132 ( -0.027 0.002 4.852) 4.852 12.746 ( -0.163 -0.004 1.446) 1.455 14.095 ( 0.021 -0.003 4.315) 4.315 14.573 ( 0.568 -0.028 -3.636) 3.680 14.945 ( -20.648 -1.280 -5.258) 21.346 15.884 ( 6.299 1.902 -7.124) 9.698 16.807 ( 1.699 -0.365 -8.823) 8.992 ======================= Grid point 130 (49/155) ======================= q-point: (-0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 5.626 3.895 5.551) 8.811 1.506 ( -11.173 -0.108 13.856) 17.800 1.889 ( 4.624 0.689 0.521) 4.704 2.143 ( 11.509 0.391 12.780) 17.203 2.240 ( -13.594 2.433 -2.145) 13.976 2.595 ( -7.902 -5.313 -6.378) 11.461 2.756 ( 5.789 -0.556 -5.825) 8.231 3.041 ( -6.088 -0.706 6.663) 9.053 3.119 ( 0.474 -0.717 -0.896) 1.242 3.187 ( 5.497 0.364 -0.693) 5.553 3.279 ( 5.028 -0.627 4.003) 6.457 3.421 ( -0.642 1.886 -12.227) 12.388 3.904 ( -6.280 1.598 -11.983) 13.622 4.029 ( 2.853 -2.272 -11.532) 12.095 4.454 ( -5.844 1.985 15.537) 16.718 4.886 ( 1.166 -0.329 -0.893) 1.505 5.059 ( 7.061 -0.682 5.327) 8.871 5.478 ( -0.440 -0.037 -3.965) 3.990 7.542 ( -6.024 -0.101 23.838) 24.587 8.018 ( 2.718 0.088 16.738) 16.957 9.938 ( -20.866 -0.575 0.904) 20.894 10.740 ( 3.161 -0.416 53.755) 53.850 11.658 ( 25.462 3.551 -10.271) 27.684 11.933 ( -20.785 -0.010 4.758) 21.322 12.718 ( -3.012 -0.067 0.630) 3.078 14.209 ( 10.855 -0.002 3.023) 11.268 14.507 ( -31.873 -7.945 -3.300) 33.014 14.546 ( -3.074 0.163 -2.086) 3.718 16.023 ( 10.688 3.139 -6.388) 12.841 16.886 ( 7.083 0.052 -9.055) 11.496 ======================= Grid point 131 (50/155) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -9.988 2.748 16.205) 19.233 1.346 ( -0.806 10.111 6.663) 12.136 1.867 ( -21.635 0.584 1.180) 21.675 2.050 ( 9.048 -1.420 -1.220) 9.239 2.367 ( 11.939 0.618 5.530) 13.172 2.485 ( -8.434 -4.865 -5.829) 11.348 2.895 ( 4.802 -0.134 -1.928) 5.176 2.944 ( -3.782 -2.543 5.925) 7.475 3.142 ( 0.667 -1.647 -0.731) 1.921 3.293 ( 6.350 -0.014 -1.733) 6.582 3.374 ( 4.792 -0.574 1.643) 5.098 3.386 ( -0.394 1.895 -11.277) 11.442 3.778 ( -5.758 1.979 -7.797) 9.893 4.090 ( 2.511 -1.096 -10.473) 10.825 4.271 ( -10.904 3.413 15.769) 19.473 4.941 ( 3.386 -2.118 -1.254) 4.186 5.217 ( 9.103 -0.790 2.202) 9.399 5.465 ( -1.199 -0.004 -5.448) 5.578 7.415 ( -8.173 -0.259 23.468) 24.851 8.068 ( 2.837 0.100 17.900) 18.124 9.532 ( -24.370 -0.360 1.385) 24.412 10.832 ( 6.683 -0.850 53.811) 54.231 11.483 ( -28.171 0.029 4.562) 28.538 12.071 ( 24.748 8.090 -11.470) 28.451 12.640 ( -5.959 -0.205 -2.117) 6.328 13.999 ( -36.278 -17.983 0.900) 40.501 14.332 ( -1.927 -0.082 -6.018) 6.320 14.560 ( 8.734 0.447 7.717) 11.664 16.182 ( 10.078 3.394 -5.284) 11.875 17.047 ( 11.242 0.846 -9.379) 14.665 ======================= Grid point 132 (51/155) ======================= q-point: (-0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -10.787 5.044 17.414) 21.097 1.189 ( -7.440 13.677 3.842) 16.037 1.481 ( -18.143 1.405 10.003) 20.765 2.197 ( 3.245 -2.674 -3.129) 5.241 2.398 ( -2.981 -1.892 -4.371) 5.619 2.556 ( 9.223 -0.042 -1.040) 9.282 2.834 ( -5.914 -3.170 9.393) 11.543 3.007 ( 2.749 0.469 -4.084) 4.946 3.155 ( -0.576 -0.646 -0.931) 1.271 3.373 ( 2.727 -0.309 -4.089) 4.924 3.400 ( 3.822 -0.125 -3.506) 5.188 3.496 ( 7.497 -0.630 -1.784) 7.732 3.684 ( -2.830 1.860 -2.893) 4.454 4.014 ( -11.028 2.383 10.955) 15.727 4.182 ( 4.244 0.694 -6.939) 8.164 5.020 ( 2.608 -3.136 -2.686) 4.884 5.368 ( 7.025 -0.634 0.505) 7.072 5.434 ( -2.155 0.502 -7.764) 8.073 7.275 ( -7.649 -0.364 23.791) 24.993 8.113 ( 2.251 -0.065 18.727) 18.862 9.129 ( -20.802 -0.081 2.030) 20.901 10.989 ( 9.277 -2.320 54.062) 54.901 11.005 ( -24.244 -0.042 5.759) 24.919 12.289 ( 2.903 9.510 -11.543) 15.235 12.552 ( -0.151 0.747 -5.019) 5.077 13.592 ( -29.198 -27.579 8.220) 40.997 14.226 ( -7.401 0.084 -6.632) 9.938 14.750 ( 10.594 0.391 9.221) 14.050 16.310 ( 7.450 3.396 -4.464) 9.326 17.250 ( 12.731 1.888 -10.511) 16.617 ======================= Grid point 133 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -23.840 3.705 8.192) 25.479 0.947 ( -5.341 12.007 14.297) 19.419 1.251 ( -4.439 11.143 18.087) 21.703 2.187 ( -5.390 -4.223 -2.088) 7.159 2.414 ( 3.074 2.555 -3.119) 5.070 2.675 ( 3.235 -0.776 -3.763) 5.023 2.790 ( -2.104 -4.942 8.262) 9.854 3.020 ( 0.526 1.856 -2.397) 3.077 3.137 ( -1.025 0.863 -0.444) 1.412 3.439 ( 2.814 1.017 -2.040) 3.621 3.473 ( 4.229 -2.298 -1.957) 5.196 3.552 ( -0.828 1.225 -1.322) 1.983 3.697 ( 2.375 -1.410 0.639) 2.834 3.846 ( -4.297 0.379 5.370) 6.888 4.266 ( 5.930 2.151 -10.154) 11.954 5.063 ( -1.050 -2.879 -4.278) 5.262 5.382 ( -2.318 1.881 -8.911) 9.398 5.468 ( 3.714 -0.368 -0.521) 3.768 7.166 ( -4.796 -0.351 24.193) 24.666 8.149 ( 1.556 -0.528 19.394) 19.464 8.834 ( -12.191 0.002 2.665) 12.479 10.649 ( -14.516 0.064 4.870) 15.311 11.240 ( 15.332 -6.721 56.126) 58.569 12.051 ( -20.529 -1.146 -5.842) 21.375 12.590 ( 2.661 2.482 1.548) 3.954 13.448 ( -13.166 -25.902 11.571) 31.276 14.110 ( -5.224 0.002 -5.773) 7.786 14.893 ( 5.762 0.390 9.313) 10.959 16.384 ( 3.932 3.306 -3.920) 6.462 17.441 ( 10.209 2.377 -13.182) 16.842 ======================= Grid point 134 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 2.494 15.082) 15.287 0.791 ( 0.000 15.155 12.557) 19.681 1.108 ( 0.000 12.942 25.884) 28.939 2.153 ( -0.000 -3.129 0.939) 3.267 2.418 ( 0.000 3.694 -3.036) 4.782 2.705 ( -0.000 -2.187 -1.472) 2.636 2.824 ( -0.000 -5.706 5.342) 7.816 3.009 ( 0.000 1.900 -0.349) 1.932 3.117 ( 0.000 1.551 -0.079) 1.553 3.449 ( 0.000 1.731 -2.565) 3.095 3.484 ( 0.000 1.300 -0.227) 1.320 3.617 ( -0.000 -3.541 -0.062) 3.542 3.672 ( -0.000 -2.761 2.866) 3.980 3.853 ( 0.000 0.724 -1.232) 1.429 4.314 ( 0.000 4.553 -17.055) 17.652 5.042 ( -0.000 -0.064 -4.070) 4.071 5.342 ( 0.000 1.905 -6.718) 6.983 5.503 ( -0.000 -0.235 -0.649) 0.691 7.124 ( -0.000 -0.253 24.320) 24.321 8.172 ( -0.000 -1.158 19.567) 19.601 8.723 ( -0.000 -0.021 3.072) 3.072 10.518 ( 0.000 0.069 4.974) 4.974 11.640 ( -0.000 -20.659 62.617) 65.937 11.719 ( -0.000 -0.005 -8.357) 8.357 12.603 ( -0.000 -0.194 7.019) 7.021 13.528 ( -0.000 -27.674 22.906) 35.924 14.061 ( -0.000 -0.016 -5.335) 5.335 14.941 ( 0.000 0.330 9.289) 9.295 16.393 ( 0.000 3.075 -3.555) 4.700 17.524 ( 0.000 3.031 -16.644) 16.918 ======================= Grid point 139 (54/155) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 8.534 -0.000 5.339) 10.067 1.505 ( -10.875 0.000 13.808) 17.576 1.899 ( 3.418 -0.000 0.312) 3.432 2.146 ( 10.987 -0.000 12.766) 16.842 2.263 ( -13.188 0.000 -2.124) 13.358 2.545 ( -8.234 0.000 -5.587) 9.951 2.751 ( 5.656 -0.000 -6.003) 8.248 3.035 ( -6.369 0.000 6.353) 8.996 3.114 ( 0.048 -0.000 -0.776) 0.777 3.189 ( 5.242 -0.000 -0.715) 5.290 3.273 ( 5.216 -0.000 4.181) 6.685 3.438 ( -0.656 0.000 -13.246) 13.262 3.922 ( -6.675 0.000 -11.055) 12.914 4.005 ( 3.797 -0.000 -11.801) 12.397 4.470 ( -5.097 0.000 15.901) 16.698 4.884 ( 0.317 -0.000 -0.867) 0.923 5.054 ( 7.052 -0.000 5.041) 8.669 5.478 ( -0.441 0.000 -4.164) 4.187 7.541 ( -6.078 0.000 23.793) 24.557 8.019 ( 2.737 -0.000 16.803) 17.024 9.933 ( -20.788 0.000 1.018) 20.813 10.737 ( 3.204 -0.000 53.794) 53.890 11.688 ( 26.633 -0.000 -10.726) 28.712 11.933 ( -20.797 0.000 4.751) 21.332 12.718 ( -3.033 0.000 0.613) 3.094 14.209 ( 10.877 -0.000 3.005) 11.284 14.441 ( -34.368 0.000 -2.795) 34.481 14.547 ( -2.817 0.000 -2.004) 3.457 16.050 ( 10.320 -0.000 -6.718) 12.314 16.886 ( 7.306 -0.000 -9.047) 11.628 ======================= Grid point 140 (55/155) ======================= q-point: (-0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -9.345 0.484 18.832) 21.029 1.477 ( 2.910 4.529 3.621) 6.488 1.879 ( -24.215 0.662 -0.414) 24.228 2.030 ( 8.968 -0.927 -1.571) 9.151 2.376 ( 11.345 0.476 6.404) 13.036 2.423 ( -6.317 -2.293 -4.221) 7.936 2.894 ( 7.577 -0.018 -3.478) 8.338 2.916 ( -6.314 -0.931 6.701) 9.254 3.122 ( 0.371 -0.687 -0.469) 0.911 3.291 ( 6.067 -0.138 -2.250) 6.472 3.367 ( 5.343 -0.185 2.399) 5.860 3.408 ( -1.981 0.664 -13.792) 13.949 3.808 ( -5.267 1.303 -6.760) 8.668 4.069 ( 3.369 -1.052 -10.990) 11.543 4.307 ( -11.956 1.077 17.593) 21.299 4.920 ( 3.169 -0.554 -0.902) 3.341 5.208 ( 9.272 -0.294 1.411) 9.383 5.465 ( -1.047 0.023 -5.777) 5.872 7.412 ( -8.212 -0.089 23.349) 24.751 8.070 ( 2.798 0.047 18.018) 18.234 9.527 ( -24.131 -0.170 1.613) 24.185 10.823 ( 6.386 -0.269 53.741) 54.120 11.483 ( -28.181 0.008 4.580) 28.551 12.169 ( 27.676 3.373 -13.086) 30.799 12.638 ( -6.255 -0.094 -2.255) 6.650 13.792 ( -40.937 -6.727 2.181) 41.543 14.331 ( -1.686 -0.034 -6.095) 6.324 14.565 ( 8.611 0.174 7.846) 11.651 16.222 ( 9.605 1.323 -5.736) 11.266 17.054 ( 11.481 0.164 -9.387) 14.830 ======================= Grid point 141 (56/155) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -9.279 2.684 19.242) 21.531 1.358 ( -19.002 6.383 4.454) 20.535 1.519 ( -5.202 3.045 3.679) 7.062 2.152 ( 0.845 -2.440 -2.539) 3.621 2.381 ( 2.061 -0.381 -3.161) 3.793 2.557 ( 8.814 0.044 0.146) 8.816 2.795 ( -6.791 -1.620 7.435) 10.199 3.017 ( 4.586 0.651 -3.138) 5.595 3.136 ( 0.132 -1.377 -0.423) 1.446 3.371 ( 1.356 0.227 -6.697) 6.837 3.398 ( 3.695 -0.329 -4.307) 5.684 3.482 ( 6.921 -0.955 -1.207) 7.090 3.723 ( -2.601 2.480 -3.052) 4.715 4.047 ( -12.793 1.755 13.239) 18.494 4.164 ( 3.246 -2.324 -6.052) 7.250 4.987 ( 3.251 -1.000 -1.971) 3.931 5.359 ( 7.222 -0.395 -0.359) 7.242 5.441 ( -1.395 0.385 -8.356) 8.481 7.270 ( -7.644 -0.196 23.658) 24.863 8.113 ( 2.107 0.013 18.792) 18.910 9.127 ( -20.706 -0.129 2.275) 20.831 10.962 ( 8.860 -1.054 54.922) 55.643 11.005 ( -24.941 0.020 4.683) 25.376 12.424 ( -8.891 5.984 -11.279) 15.559 12.584 ( 11.717 3.723 -8.897) 15.175 13.220 ( -30.335 -17.897 8.870) 36.321 14.227 ( -7.409 0.052 -6.773) 10.038 14.755 ( 10.556 0.241 9.555) 14.240 16.357 ( 7.140 2.111 -4.987) 8.961 17.267 ( 12.495 0.454 -10.368) 16.242 ======================= Grid point 142 (57/155) ======================= q-point: (-0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -25.901 2.739 5.663) 26.654 1.083 ( -5.465 5.529 24.445) 25.651 1.450 ( 1.010 11.549 3.706) 12.171 2.125 ( -4.230 -3.150 -0.423) 5.292 2.453 ( 4.632 2.062 -3.286) 6.042 2.667 ( 2.144 -0.142 -1.624) 2.693 2.726 ( -1.536 -3.078 4.628) 5.767 3.053 ( 1.356 2.001 -2.237) 3.293 3.138 ( -0.737 -0.512 -0.576) 1.066 3.435 ( 5.406 -1.538 -1.657) 5.859 3.456 ( 2.240 0.168 -3.587) 4.233 3.575 ( 1.411 1.380 -1.544) 2.506 3.691 ( -0.305 0.611 -0.291) 0.742 3.833 ( -7.889 -1.627 9.569) 12.508 4.256 ( 4.011 -2.362 -7.406) 8.747 5.034 ( 1.007 -0.836 -3.394) 3.637 5.411 ( -1.005 1.567 -10.570) 10.733 5.462 ( 3.818 -0.359 -1.445) 4.098 7.161 ( -4.718 -0.252 24.133) 24.591 8.143 ( 1.278 -0.193 19.343) 19.386 8.833 ( -12.178 -0.066 2.806) 12.497 10.650 ( -14.501 0.050 4.875) 15.299 11.158 ( 11.705 -3.506 58.589) 59.850 12.041 ( -26.050 -0.252 -5.180) 26.561 12.630 ( -1.760 2.493 4.612) 5.530 13.137 ( 0.043 -13.617 -5.349) 14.630 14.110 ( -5.281 0.023 -5.843) 7.876 14.899 ( 5.745 0.306 9.706) 11.283 16.434 ( 3.790 2.668 -4.493) 6.455 17.459 ( 8.934 0.301 -12.136) 15.073 ======================= Grid point 143 (58/155) ======================= q-point: (-0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 2.857 11.444) 11.795 0.979 ( 0.000 8.534 23.755) 25.242 1.348 ( 0.000 15.008 7.643) 16.842 2.104 ( -0.000 -2.814 1.253) 3.081 2.475 ( 0.000 3.169 -3.097) 4.431 2.671 ( -0.000 -1.841 3.444) 3.905 2.758 ( -0.000 -2.793 -1.673) 3.255 3.045 ( 0.000 2.462 -0.987) 2.653 3.131 ( 0.000 0.134 -0.189) 0.231 3.471 ( 0.000 0.762 -3.767) 3.843 3.509 ( 0.000 1.735 2.298) 2.879 3.591 ( 0.000 0.512 -2.196) 2.255 3.621 ( -0.000 -3.331 3.695) 4.975 3.835 ( -0.000 -2.831 1.576) 3.240 4.319 ( -0.000 -2.488 -10.353) 10.648 5.041 ( -0.000 -0.041 -4.084) 4.084 5.382 ( 0.000 2.634 -10.670) 10.991 5.498 ( -0.000 -0.304 -1.378) 1.411 7.120 ( -0.000 -0.253 24.316) 24.318 8.158 ( -0.000 -0.521 19.610) 19.617 8.723 ( -0.000 -0.021 3.098) 3.098 10.519 ( 0.000 0.069 4.983) 4.983 11.391 ( -0.000 -10.404 71.456) 72.209 11.719 ( -0.000 -0.005 -8.387) 8.387 12.600 ( -0.000 -0.194 7.129) 7.131 13.243 ( -0.000 -10.851 -5.983) 12.391 14.060 ( -0.000 -0.017 -5.323) 5.323 14.947 ( 0.000 0.358 9.657) 9.663 16.444 ( 0.000 3.064 -4.152) 5.160 17.544 ( 0.000 0.085 -13.823) 13.823 ======================= Grid point 150 (59/155) ======================= q-point: (-0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -8.406 0.000 19.946) 21.645 1.406 ( -27.372 0.000 5.284) 27.877 1.551 ( 3.189 -0.000 0.675) 3.260 2.130 ( 0.277 -0.000 -2.063) 2.082 2.379 ( 3.809 -0.000 -2.968) 4.829 2.557 ( 8.639 -0.000 0.606) 8.660 2.782 ( -7.038 0.000 6.609) 9.654 3.024 ( 5.558 -0.000 -2.697) 6.178 3.122 ( 0.134 -0.000 -0.045) 0.142 3.378 ( -0.674 0.000 -10.281) 10.303 3.390 ( 4.908 -0.000 -2.917) 5.710 3.473 ( 6.878 -0.000 -0.214) 6.881 3.747 ( -2.583 0.000 -3.290) 4.182 4.066 ( -15.244 0.000 17.068) 22.885 4.136 ( 4.576 -0.000 -8.350) 9.522 4.980 ( 3.530 -0.000 -1.815) 3.969 5.356 ( 7.299 -0.000 -0.699) 7.333 5.445 ( -1.129 0.000 -8.654) 8.727 7.269 ( -7.644 0.000 23.613) 24.820 8.113 ( 2.064 -0.000 18.829) 18.942 9.126 ( -20.659 0.000 2.392) 20.797 10.954 ( 8.541 -0.000 54.916) 55.576 11.005 ( -24.944 0.000 4.667) 25.376 12.468 ( -15.270 0.000 -8.810) 17.629 12.640 ( 23.075 -0.000 -16.542) 28.392 13.054 ( -35.381 0.000 12.890) 37.656 14.228 ( -7.407 0.000 -6.827) 10.074 14.757 ( 10.537 -0.000 9.676) 14.306 16.374 ( 7.011 -0.000 -5.188) 8.722 17.270 ( 12.389 -0.000 -10.285) 16.102 ======================= Grid point 152 (60/155) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -26.788 1.031 4.272) 27.146 1.141 ( -4.248 1.789 27.555) 27.938 1.586 ( 2.471 4.554 -1.811) 5.489 2.089 ( -3.406 -1.187 0.433) 3.633 2.477 ( 5.272 0.790 -3.491) 6.372 2.670 ( 1.465 0.562 -0.347) 1.607 2.688 ( -1.096 -1.633 2.652) 3.302 3.081 ( 1.844 1.247 -2.268) 3.178 3.127 ( -0.147 -0.647 -0.440) 0.796 3.414 ( 4.941 -0.775 -2.424) 5.558 3.456 ( 2.510 -0.053 -3.862) 4.607 3.592 ( 5.305 0.590 -1.881) 5.659 3.706 ( -2.435 0.825 -2.017) 3.268 3.807 ( -12.327 -1.090 13.754) 18.502 4.219 ( 3.608 -1.534 -5.438) 6.704 5.028 ( 1.604 -0.112 -3.235) 3.612 5.430 ( -0.224 0.689 -11.603) 11.626 5.456 ( 3.866 -0.238 -1.888) 4.309 7.158 ( -4.688 -0.092 24.099) 24.551 8.141 ( 1.169 -0.040 19.335) 19.371 8.832 ( -12.120 -0.035 2.915) 12.465 10.651 ( -14.490 0.019 4.877) 15.289 11.122 ( 10.162 -1.033 59.134) 60.009 12.040 ( -28.517 -0.003 -4.797) 28.918 12.666 ( -8.242 1.510 10.052) 13.086 12.986 ( 11.208 -4.921 -17.111) 21.038 14.110 ( -5.324 0.009 -5.879) 7.931 14.902 ( 5.729 0.111 9.936) 11.470 16.465 ( 3.697 1.017 -4.845) 6.179 17.460 ( 8.407 -0.046 -11.619) 14.341 ======================= Grid point 153 (61/155) ======================= q-point: (-0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 1.925 8.738) 8.947 1.082 ( 0.000 4.274 28.219) 28.541 1.553 ( 0.000 9.254 -1.321) 9.348 2.066 ( -0.000 -1.710 1.667) 2.388 2.516 ( 0.000 1.800 -3.208) 3.679 2.647 ( -0.000 -1.089 4.944) 5.063 2.727 ( -0.000 -1.161 -4.219) 4.376 3.083 ( 0.000 1.996 -1.928) 2.775 3.127 ( -0.000 -0.377 -0.373) 0.531 3.477 ( 0.000 0.203 -4.354) 4.359 3.537 ( 0.000 1.519 3.540) 3.852 3.571 ( -0.000 -2.521 4.754) 5.381 3.621 ( 0.000 2.568 -3.122) 4.042 3.772 ( -0.000 -4.307 3.085) 5.298 4.271 ( -0.000 -2.699 -5.428) 6.062 5.040 ( -0.000 -0.014 -4.099) 4.099 5.419 ( 0.000 1.708 -12.695) 12.809 5.493 ( -0.000 -0.308 -2.035) 2.058 7.116 ( -0.000 -0.157 24.314) 24.314 8.153 ( -0.000 -0.168 19.550) 19.550 8.723 ( -0.000 -0.013 3.119) 3.119 10.520 ( 0.000 0.042 4.990) 4.990 11.279 ( -0.000 -4.003 71.130) 71.242 11.719 ( -0.000 -0.003 -8.411) 8.411 12.598 ( -0.000 -0.120 7.217) 7.218 13.123 ( -0.000 -4.511 -17.424) 17.999 14.060 ( -0.000 -0.010 -5.314) 5.314 14.952 ( 0.000 0.207 9.972) 9.974 16.486 ( 0.000 1.888 -4.627) 4.997 17.540 ( -0.000 -0.336 -12.567) 12.571 ======================= Grid point 163 (62/155) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 0.000 7.756) 7.756 1.117 ( 0.000 0.000 29.322) 29.322 1.630 ( 0.000 0.000 -4.024) 4.024 2.052 ( 0.000 0.000 1.855) 1.855 2.531 ( 0.000 0.000 -3.250) 3.250 2.638 ( 0.000 0.000 4.918) 4.918 2.718 ( 0.000 0.000 -4.469) 4.469 3.101 ( 0.000 0.000 -2.481) 2.481 3.124 ( 0.000 0.000 -0.608) 0.608 3.479 ( 0.000 0.000 -4.563) 4.563 3.549 ( 0.000 0.000 5.341) 5.341 3.551 ( 0.000 0.000 3.651) 3.651 3.652 ( 0.000 0.000 -2.590) 2.590 3.724 ( 0.000 0.000 3.136) 3.136 4.247 ( 0.000 0.000 -3.639) 3.639 5.040 ( 0.000 0.000 -4.105) 4.105 5.433 ( 0.000 0.000 -13.413) 13.413 5.490 ( 0.000 0.000 -2.150) 2.150 7.115 ( 0.000 0.000 24.313) 24.313 8.152 ( 0.000 0.000 19.534) 19.534 8.723 ( 0.000 0.000 3.127) 3.127 10.521 ( 0.000 0.000 4.993) 4.993 11.248 ( 0.000 0.000 70.665) 70.665 11.719 ( 0.000 0.000 -8.421) 8.421 12.597 ( 0.000 0.000 7.251) 7.251 13.087 ( 0.000 0.000 -20.536) 20.536 14.060 ( 0.000 0.000 -5.311) 5.311 14.953 ( 0.000 0.000 10.084) 10.084 16.502 ( 0.000 0.000 -4.807) 4.807 17.537 ( 0.000 0.000 -12.197) 12.197 ======================= Grid point 210 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 0.000 16.187) 16.187 0.770 ( 0.000 0.000 18.670) 18.670 1.649 ( 0.000 0.000 29.590) 29.590 2.209 ( 0.000 0.000 -8.116) 8.116 2.288 ( 0.000 0.000 4.384) 4.384 2.529 ( 0.000 0.000 -10.439) 10.439 2.952 ( 0.000 0.000 -2.987) 2.987 3.086 ( 0.000 0.000 0.681) 0.681 3.132 ( 0.000 0.000 -2.519) 2.519 3.380 ( 0.000 0.000 -3.199) 3.199 3.563 ( 0.000 0.000 3.931) 3.931 3.591 ( 0.000 0.000 4.158) 4.158 3.810 ( 0.000 0.000 7.176) 7.176 3.866 ( 0.000 0.000 -1.222) 1.222 3.908 ( 0.000 0.000 1.627) 1.627 4.926 ( 0.000 0.000 -7.712) 7.712 5.278 ( 0.000 0.000 -3.079) 3.079 5.492 ( 0.000 0.000 -1.540) 1.540 7.739 ( 0.000 0.000 34.277) 34.277 8.693 ( 0.000 0.000 29.992) 29.992 8.809 ( 0.000 0.000 5.288) 5.288 10.647 ( 0.000 0.000 7.660) 7.660 11.517 ( 0.000 0.000 -11.303) 11.303 11.875 ( 0.000 0.000 -21.043) 21.043 12.775 ( 0.000 0.000 9.534) 9.534 13.911 ( 0.000 0.000 -9.534) 9.534 15.120 ( 0.000 0.000 12.205) 12.205 15.723 ( 0.000 0.000 10.356) 10.356 16.250 ( 0.000 0.000 -5.767) 5.767 16.923 ( 0.000 0.000 -8.475) 8.475 ======================= Grid point 211 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 5.112 -6.380 15.000) 17.083 0.939 ( 16.006 -0.257 15.649) 22.387 1.719 ( 7.594 -0.370 26.092) 27.177 2.203 ( -0.050 1.005 -6.628) 6.704 2.314 ( 2.144 -0.860 1.870) 2.972 2.518 ( -1.257 -0.118 -8.213) 8.309 2.918 ( -3.542 -0.454 -3.617) 5.082 3.094 ( 0.638 -0.482 0.527) 0.958 3.130 ( 0.401 0.973 -1.512) 1.842 3.375 ( -0.032 1.475 -2.286) 2.721 3.505 ( -2.091 4.048 2.426) 5.162 3.583 ( -6.316 -3.859 3.136) 8.039 3.757 ( -2.145 5.619 0.836) 6.072 3.890 ( 1.195 -5.195 5.616) 7.743 3.936 ( 1.469 -3.105 0.447) 3.463 4.979 ( 4.371 0.454 -9.779) 10.721 5.276 ( 0.664 0.538 -2.712) 2.843 5.477 ( -1.595 0.323 -0.733) 1.785 7.782 ( 4.734 0.124 34.053) 34.381 8.671 ( -2.277 0.125 30.326) 30.412 8.909 ( 11.176 -0.039 4.924) 12.213 10.775 ( 14.299 -0.031 7.576) 16.182 11.655 ( 14.276 -0.052 -6.694) 15.768 11.825 ( -6.476 -1.902 -19.939) 21.050 12.720 ( -5.635 0.069 14.486) 15.543 13.952 ( 4.534 -0.001 -9.680) 10.690 15.066 ( -5.699 1.294 12.437) 13.742 15.418 ( -16.783 23.807 17.898) 34.187 16.213 ( -4.305 -0.756 -5.945) 7.379 16.922 ( -4.631 -6.976 -10.692) 13.580 ======================= Grid point 212 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 7.971 -9.592 13.066) 18.063 1.241 ( 16.191 -2.036 12.683) 20.668 1.890 ( 10.791 1.478 18.048) 21.080 2.183 ( -1.835 1.116 -4.085) 4.615 2.379 ( 5.776 0.981 -2.435) 6.345 2.488 ( -2.263 -0.238 -1.751) 2.871 2.854 ( -4.122 -0.936 -5.471) 6.914 3.111 ( 0.570 -0.298 -0.796) 1.023 3.138 ( 1.502 0.447 1.000) 1.859 3.352 ( -1.741 1.403 -0.438) 2.279 3.405 ( -6.570 3.110 -0.275) 7.274 3.481 ( -5.344 -0.880 1.765) 5.696 3.662 ( -3.108 4.986 -2.142) 6.254 3.889 ( -4.578 -4.789 -7.091) 9.704 4.098 ( 10.798 -5.176 10.998) 16.259 5.007 ( -0.661 1.415 -8.837) 8.974 5.312 ( 3.502 0.210 -3.341) 4.844 5.430 ( -3.048 1.073 1.507) 3.565 7.890 ( 7.457 0.343 33.752) 34.567 8.619 ( -3.508 -0.015 30.609) 30.810 9.186 ( 19.675 -0.096 3.749) 20.029 11.125 ( 24.508 -0.132 7.278) 25.566 11.684 ( -11.460 -3.505 -16.277) 20.213 11.940 ( 14.550 -0.837 11.126) 18.335 12.616 ( -4.157 0.499 17.929) 18.412 14.059 ( 7.224 0.009 -9.860) 12.223 14.884 ( -8.138 13.134 13.410) 20.459 14.994 ( -11.056 12.697 13.321) 21.469 16.113 ( -8.190 -1.431 -6.340) 10.456 16.857 ( -8.185 -5.195 -12.659) 15.944 ======================= Grid point 213 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 8.847 -9.959 11.849) 17.828 1.526 ( 13.747 -2.933 10.719) 17.677 2.032 ( 6.941 1.824 7.842) 10.630 2.108 ( -4.951 2.568 -0.470) 5.597 2.444 ( -2.674 -0.270 6.314) 6.862 2.505 ( 9.615 3.346 -4.665) 11.198 2.785 ( -5.029 -0.588 -6.938) 8.589 3.111 ( -1.040 -0.316 -1.538) 1.883 3.173 ( 2.081 -0.106 2.689) 3.402 3.234 ( -6.504 2.489 -3.728) 7.899 3.303 ( -5.214 1.598 0.656) 5.493 3.411 ( -3.193 -0.727 0.782) 3.366 3.598 ( -0.186 2.171 -5.584) 5.994 3.841 ( -3.158 -0.864 -12.717) 13.132 4.347 ( 11.306 -6.866 11.805) 17.730 4.957 ( -3.096 1.282 -5.234) 6.215 5.341 ( -2.999 2.119 2.481) 4.432 5.386 ( 1.959 0.047 -0.991) 2.196 8.028 ( 8.355 0.513 33.797) 34.818 8.550 ( -4.472 -0.258 30.179) 30.510 9.574 ( 23.745 0.117 1.932) 23.824 11.448 ( -11.372 -4.812 -14.477) 19.028 11.631 ( 23.859 -0.122 6.721) 24.788 12.088 ( 1.087 -0.734 48.400) 48.418 12.627 ( 5.910 0.643 3.955) 7.140 14.186 ( 6.562 0.120 -9.017) 11.152 14.686 ( -5.069 7.671 7.052) 11.588 14.759 ( -3.837 11.504 4.616) 12.976 15.953 ( -11.403 -2.052 -6.916) 13.494 16.737 ( -8.505 -2.760 -13.912) 16.537 ======================= Grid point 214 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 7.570 -7.725 11.312) 15.651 1.750 ( 8.826 -1.311 9.604) 13.109 1.979 ( -5.981 3.777 2.471) 7.493 2.137 ( 6.268 -1.117 -0.647) 6.400 2.402 ( -1.986 -0.062 13.512) 13.657 2.622 ( 3.960 3.711 -6.617) 8.558 2.674 ( -4.790 1.207 -5.854) 7.660 3.066 ( -4.886 -0.745 -3.841) 6.259 3.120 ( -2.397 1.636 -2.289) 3.696 3.211 ( -2.846 0.188 -3.847) 4.789 3.234 ( 3.100 -0.019 3.262) 4.501 3.367 ( -2.745 -0.324 2.561) 3.768 3.615 ( 2.532 0.524 -11.328) 11.619 3.796 ( -2.121 0.350 -14.930) 15.084 4.580 ( 8.587 -5.655 10.869) 14.961 4.895 ( -2.732 0.825 -1.994) 3.482 5.248 ( -4.016 2.651 7.293) 8.738 5.424 ( 1.563 -0.154 -1.400) 2.104 8.165 ( 7.408 0.533 34.894) 35.676 8.467 ( -5.042 -0.406 28.605) 29.048 9.976 ( 20.771 0.627 0.381) 20.784 11.210 ( -15.975 -4.133 -16.451) 23.301 12.053 ( 4.248 0.156 50.377) 50.556 12.077 ( 14.262 -0.095 25.390) 29.121 12.737 ( 5.100 0.220 0.932) 5.189 14.248 ( -0.639 0.264 -1.466) 1.621 14.513 ( -7.148 -0.638 2.177) 7.500 14.754 ( 10.028 11.252 -8.487) 17.297 15.766 ( -10.814 -2.199 -7.511) 13.349 16.625 ( -5.540 -1.083 -14.671) 15.719 ======================= Grid point 215 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 -0.000 11.251) 11.251 1.832 ( 0.000 -0.000 7.990) 7.990 1.893 ( 0.000 0.000 4.202) 4.202 2.233 ( 0.000 -0.000 -3.169) 3.169 2.384 ( 0.000 -0.000 16.455) 16.455 2.540 ( 0.000 -0.000 -5.822) 5.822 2.695 ( 0.000 0.000 -7.318) 7.318 3.009 ( 0.000 -0.000 -4.718) 4.718 3.100 ( 0.000 -0.000 -1.423) 1.423 3.189 ( 0.000 -0.000 -5.350) 5.350 3.276 ( 0.000 -0.000 1.654) 1.654 3.331 ( 0.000 -0.000 4.568) 4.568 3.643 ( 0.000 0.000 -14.789) 14.789 3.771 ( 0.000 -0.000 -14.604) 14.604 4.695 ( -0.000 -0.000 9.780) 9.780 4.860 ( 0.000 -0.000 -0.380) 0.380 5.193 ( 0.000 -0.000 8.993) 8.993 5.439 ( 0.000 -0.000 -0.901) 0.901 8.245 ( 0.000 -0.000 37.670) 37.670 8.408 ( 0.000 -0.000 25.621) 25.621 10.189 ( 0.000 -0.000 0.346) 0.346 11.055 ( 0.000 -0.000 -17.165) 17.165 12.034 ( 0.000 -0.000 70.757) 70.757 12.272 ( -0.000 -0.000 9.210) 9.210 12.781 ( 0.000 -0.000 1.853) 1.853 14.209 ( 0.000 -0.000 6.744) 6.744 14.472 ( 0.000 -0.000 -6.302) 6.302 14.816 ( -0.000 -0.000 -11.506) 11.506 15.666 ( 0.000 0.000 -7.705) 7.705 16.578 ( 0.000 -0.000 -14.917) 14.917 ======================= Grid point 222 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 9.003 -0.000 15.491) 17.917 1.224 ( 15.740 -0.000 13.313) 20.615 1.902 ( 11.368 -0.000 17.948) 21.245 2.192 ( -1.629 0.000 -3.905) 4.231 2.388 ( 6.664 -0.000 -3.033) 7.322 2.487 ( -2.125 0.000 -1.489) 2.595 2.846 ( -4.078 0.000 -5.341) 6.719 3.109 ( 1.285 -0.000 0.783) 1.505 3.137 ( 0.071 -0.000 -2.965) 2.966 3.368 ( -2.423 0.000 -1.342) 2.770 3.451 ( -5.298 0.000 3.283) 6.233 3.453 ( -6.148 0.000 0.659) 6.183 3.738 ( -7.374 0.000 0.301) 7.381 3.813 ( 1.373 -0.000 -5.919) 6.076 4.055 ( 9.658 -0.000 9.341) 13.437 5.020 ( -0.720 0.000 -10.020) 10.046 5.313 ( 3.349 -0.000 -2.988) 4.488 5.439 ( -2.861 0.000 1.780) 3.369 7.893 ( 7.497 -0.000 33.702) 34.526 8.619 ( -3.603 0.000 30.379) 30.592 9.185 ( 19.703 -0.000 3.791) 20.065 11.124 ( 24.392 -0.000 7.175) 25.426 11.655 ( -11.438 0.000 -18.366) 21.637 11.933 ( 14.451 -0.000 12.600) 19.172 12.620 ( -3.992 0.000 17.932) 18.371 14.059 ( 7.238 -0.000 -9.831) 12.208 14.923 ( -10.861 0.000 11.792) 16.031 15.188 ( -15.619 0.000 9.493) 18.277 16.101 ( -8.123 0.000 -6.187) 10.211 16.803 ( -6.091 0.000 -10.450) 12.095 ======================= Grid point 223 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 10.864 -4.061 14.229) 18.357 1.492 ( 14.425 -1.091 10.778) 18.040 2.049 ( 5.236 0.441 7.350) 9.035 2.141 ( -3.854 1.168 -0.529) 4.062 2.443 ( -2.179 0.037 7.011) 7.342 2.545 ( 10.177 1.372 -4.469) 11.199 2.777 ( -4.203 -0.268 -7.050) 8.212 3.118 ( -0.671 1.318 -1.516) 2.118 3.152 ( 1.365 -2.071 0.587) 2.549 3.265 ( -6.689 1.063 -2.444) 7.200 3.331 ( -7.260 1.389 0.989) 7.458 3.397 ( -2.391 -0.799 0.414) 2.554 3.634 ( -2.259 1.574 -2.781) 3.913 3.825 ( -1.001 -0.818 -11.979) 12.048 4.263 ( 12.006 -2.939 10.970) 16.527 4.972 ( -3.585 0.530 -6.995) 7.878 5.368 ( -0.113 1.187 0.364) 1.247 5.383 ( -0.712 -0.401 1.847) 2.020 8.034 ( 8.371 0.212 33.738) 34.762 8.547 ( -4.568 -0.076 29.939) 30.285 9.576 ( 24.010 0.041 1.984) 24.092 11.394 ( -11.960 -1.751 -15.882) 19.959 11.631 ( 25.060 0.009 7.021) 26.025 12.078 ( 1.593 -0.369 48.701) 48.728 12.635 ( 5.530 0.229 4.609) 7.203 14.187 ( 6.669 0.041 -8.988) 11.192 14.702 ( -13.532 -0.133 10.355) 17.040 14.977 ( -3.591 8.300 -2.153) 9.297 15.931 ( -11.200 -0.587 -6.607) 13.016 16.696 ( -6.792 -1.696 -12.491) 14.319 ======================= Grid point 224 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 10.963 -5.081 12.494) 17.382 1.731 ( 10.540 -0.959 8.767) 13.743 2.037 ( -5.712 2.963 2.374) 6.859 2.119 ( 3.895 -1.085 0.055) 4.043 2.408 ( -1.444 0.528 13.903) 13.988 2.667 ( 1.154 1.781 -6.510) 6.848 2.689 ( -3.260 0.503 -6.461) 7.254 3.067 ( -3.409 0.988 -2.170) 4.160 3.150 ( -3.911 1.656 -2.547) 4.952 3.205 ( -1.762 -0.848 -5.043) 5.409 3.227 ( 0.961 -0.766 4.217) 4.392 3.359 ( -2.692 -0.471 1.539) 3.136 3.628 ( 1.869 0.844 -8.877) 9.111 3.798 ( -2.161 -0.035 -14.578) 14.737 4.498 ( 10.951 -3.918 10.165) 15.447 4.906 ( -3.056 0.546 -3.601) 4.754 5.288 ( -4.418 2.000 8.182) 9.511 5.419 ( 1.474 -0.436 -1.620) 2.233 8.173 ( 7.319 0.377 34.962) 35.722 8.462 ( -5.019 -0.224 28.361) 28.802 9.985 ( 20.950 0.368 0.439) 20.957 11.157 ( -13.640 -2.291 -16.327) 21.398 12.054 ( 0.799 0.014 58.637) 58.642 12.073 ( 17.727 -0.253 16.787) 24.415 12.740 ( 4.879 0.140 1.229) 5.033 14.251 ( -0.748 0.162 -1.375) 1.574 14.504 ( -6.834 -0.423 2.194) 7.190 14.908 ( 0.811 6.938 -10.142) 12.314 15.745 ( -9.121 -0.468 -7.265) 11.670 16.605 ( -4.504 -1.173 -14.084) 14.833 ======================= Grid point 225 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 7.515 -2.082 11.045) 13.521 1.830 ( 0.160 -0.263 8.364) 8.369 1.918 ( -3.703 2.642 3.667) 5.843 2.227 ( 4.560 -0.746 -2.686) 5.345 2.388 ( 0.033 0.492 15.852) 15.860 2.549 ( -4.338 1.044 -5.583) 7.147 2.677 ( -4.234 -1.914 -7.104) 8.489 3.024 ( 0.951 1.590 -4.480) 4.848 3.105 ( -0.124 0.626 -1.418) 1.555 3.185 ( -0.491 -0.460 -5.271) 5.314 3.277 ( 0.472 0.044 2.044) 2.098 3.320 ( -0.614 -1.180 3.666) 3.900 3.652 ( 0.575 0.938 -14.226) 14.268 3.765 ( -1.238 -0.786 -14.485) 14.559 4.679 ( 5.733 -1.570 9.416) 11.135 4.865 ( -0.947 0.448 -0.833) 1.339 5.204 ( -2.709 1.180 9.484) 9.934 5.435 ( -0.030 -0.395 -1.007) 1.082 8.246 ( -0.854 0.063 37.637) 37.646 8.409 ( 0.805 0.043 25.657) 25.669 10.188 ( -1.433 -0.167 0.372) 1.490 11.060 ( 5.020 0.486 -17.239) 17.962 12.030 ( -0.442 -0.416 70.804) 70.806 12.272 ( -0.022 -0.010 9.153) 9.153 12.781 ( -0.187 -0.000 1.880) 1.889 14.209 ( -0.224 -0.016 6.738) 6.742 14.472 ( 0.560 -0.022 -6.292) 6.317 14.807 ( -11.072 -1.030 -10.923) 15.587 15.683 ( 3.633 1.803 -8.375) 9.305 16.574 ( 0.658 -0.381 -14.830) 14.849 ======================= Grid point 226 (73/155) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.453 6.797 10.057) 12.384 1.768 ( -6.503 0.841 10.784) 12.621 1.926 ( 4.671 -2.403 2.239) 5.710 2.155 ( -9.035 1.121 -2.065) 9.335 2.413 ( 2.537 1.155 13.258) 13.548 2.552 ( -5.867 -4.710 -6.010) 9.630 2.653 ( 6.529 -1.272 -5.542) 8.658 3.076 ( 4.900 -0.118 -5.528) 7.388 3.110 ( 0.959 0.782 -1.331) 1.817 3.201 ( 1.866 -1.060 -1.478) 2.606 3.227 ( -4.009 -0.778 0.424) 4.106 3.367 ( 3.011 -0.375 3.086) 4.328 3.619 ( -2.477 1.182 -12.956) 13.244 3.783 ( 1.966 -1.337 -15.129) 15.315 4.668 ( -5.357 4.740 11.211) 13.299 4.882 ( 2.296 -0.710 -0.596) 2.476 5.209 ( 2.883 -2.019 6.777) 7.637 5.423 ( -1.680 -0.278 -1.465) 2.246 8.157 ( -7.533 -0.446 34.782) 35.591 8.475 ( 5.106 0.458 28.927) 29.378 9.965 ( -20.460 -0.658 0.404) 20.474 11.285 ( 19.112 4.823 -17.050) 26.062 12.048 ( -2.487 -0.521 55.626) 55.684 12.075 ( -16.222 -0.275 20.842) 26.413 12.733 ( -5.360 -0.210 0.635) 5.402 14.243 ( 0.501 -0.255 -1.575) 1.672 14.523 ( 6.910 0.442 1.976) 7.200 14.568 ( -18.586 -10.699 -6.113) 22.299 15.812 ( 11.600 3.100 -8.538) 14.733 16.637 ( 6.323 0.440 -15.023) 16.305 ======================= Grid point 227 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -6.224 11.670 8.930) 15.958 1.582 ( -12.487 3.798 10.883) 16.993 1.988 ( -8.291 -3.347 6.816) 11.243 2.066 ( 5.097 -2.556 0.134) 5.704 2.443 ( -5.915 -3.286 -1.847) 7.014 2.457 ( 0.910 0.591 2.829) 3.030 2.794 ( 6.556 0.550 -6.383) 9.167 3.117 ( -0.494 -0.154 0.900) 1.038 3.153 ( -1.755 -2.257 2.808) 4.007 3.197 ( 4.820 -1.652 -5.067) 7.186 3.280 ( 4.921 -1.439 -0.731) 5.179 3.418 ( 2.936 0.076 1.210) 3.176 3.580 ( -0.675 0.159 -8.454) 8.482 3.846 ( 4.482 -0.309 -13.699) 14.417 4.467 ( -10.686 7.347 12.770) 18.200 4.934 ( 2.490 -1.365 -2.831) 4.009 5.302 ( 4.410 -2.518 2.593) 5.702 5.382 ( -3.056 -0.378 -2.280) 3.831 8.019 ( -8.337 -0.558 33.851) 34.866 8.555 ( 4.358 0.421 30.561) 30.873 9.572 ( -23.330 -0.159 1.931) 23.411 11.540 ( 4.592 5.802 -9.923) 12.378 11.640 ( -15.820 1.418 3.640) 16.295 12.097 ( 0.028 0.167 48.446) 48.446 12.615 ( -6.792 -0.915 2.675) 7.357 14.183 ( -6.387 -0.217 -9.018) 11.053 14.377 ( -15.171 -21.267 5.055) 26.609 14.732 ( 14.081 0.583 10.280) 17.444 15.995 ( 11.309 2.902 -7.711) 13.992 16.775 ( 9.803 1.687 -15.079) 18.064 ======================= Grid point 228 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -6.104 13.707 8.728) 17.358 1.285 ( -17.660 3.099 10.892) 20.979 1.858 ( -8.746 -2.260 18.243) 20.357 2.157 ( 1.946 -2.067 -4.443) 5.273 2.361 ( -3.256 -1.055 -1.232) 3.637 2.497 ( 2.432 0.823 -2.156) 3.353 2.875 ( 4.328 1.583 -5.672) 7.308 3.092 ( -3.246 -3.763 5.208) 7.199 3.131 ( -0.921 0.552 -0.209) 1.094 3.340 ( 3.614 -0.434 -1.245) 3.847 3.351 ( 5.909 -3.077 -2.088) 6.981 3.482 ( 3.655 -0.652 -0.234) 3.720 3.607 ( 3.146 -1.746 -3.872) 5.286 3.941 ( 6.508 1.869 -8.880) 11.167 4.205 ( -11.616 7.195 11.921) 18.133 4.979 ( 0.602 -1.837 -6.137) 6.434 5.307 ( -3.773 -0.350 -4.170) 5.635 5.406 ( 3.508 -1.865 0.768) 4.047 7.883 ( -7.362 -0.501 33.851) 34.645 8.620 ( 3.304 0.172 31.157) 31.332 9.188 ( -19.607 0.124 3.696) 19.953 11.128 ( -24.708 0.142 7.461) 25.810 11.766 ( 11.035 6.427 -9.408) 15.861 11.960 ( -14.206 1.632 5.892) 15.466 12.603 ( 4.598 -1.168 17.942) 18.558 14.059 ( -7.189 -0.029 -9.925) 12.255 14.422 ( -4.467 -33.087 22.441) 40.228 14.958 ( 11.510 0.510 12.187) 16.771 16.146 ( 8.149 2.462 -6.893) 10.954 16.933 ( 10.174 3.685 -15.335) 18.769 ======================= Grid point 229 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -4.054 14.014 9.910) 17.636 0.946 ( -17.487 0.563 14.342) 22.623 1.731 ( -5.580 1.131 25.373) 26.004 2.175 ( -0.922 -2.249 -5.454) 5.971 2.338 ( 0.076 1.873 0.896) 2.078 2.523 ( 1.231 0.562 -7.886) 8.001 2.932 ( 3.400 1.252 -3.816) 5.262 3.083 ( -1.747 -4.995 5.261) 7.462 3.109 ( -0.613 1.204 0.047) 1.352 3.352 ( 0.094 -0.355 -3.158) 3.179 3.470 ( 1.675 -0.845 -0.952) 2.104 3.583 ( 7.491 -3.913 3.403) 9.111 3.698 ( 4.675 -1.189 -2.812) 5.583 3.949 ( -9.500 3.104 8.419) 13.068 4.034 ( 4.262 6.589 -3.265) 8.499 4.966 ( -3.365 -1.042 -8.551) 9.248 5.262 ( -1.446 -1.055 -3.389) 3.833 5.466 ( 1.904 -0.996 -1.131) 2.429 7.778 ( -4.622 -0.309 34.105) 34.418 8.668 ( 2.103 -0.168 30.992) 31.063 8.910 ( -11.251 0.082 4.901) 12.272 10.776 ( -14.314 0.074 7.596) 16.205 11.657 ( -14.427 0.162 -6.546) 15.843 11.886 ( 6.234 5.610 -16.655) 18.647 12.717 ( 5.866 -0.248 14.407) 15.557 13.952 ( -4.532 -0.003 -9.677) 10.686 14.743 ( 4.062 -43.053 34.554) 55.354 15.120 ( 6.664 -1.728 13.875) 15.489 16.236 ( 4.231 1.981 -6.340) 7.876 17.049 ( 7.105 6.571 -15.948) 18.655 ======================= Grid point 230 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 11.823 12.473) 17.186 0.766 ( -0.000 -0.480 18.209) 18.215 1.666 ( 0.000 1.930 28.821) 28.886 2.184 ( -0.000 -2.402 -5.523) 6.023 2.317 ( 0.000 2.871 1.760) 3.368 2.531 ( 0.000 0.268 -10.190) 10.193 2.958 ( 0.000 0.772 -3.052) 3.148 3.094 ( 0.000 0.979 0.383) 1.051 3.106 ( -0.000 -3.671 2.235) 4.298 3.361 ( -0.000 -1.636 -2.802) 3.245 3.484 ( -0.000 -2.263 1.897) 2.953 3.718 ( 0.000 5.533 3.763) 6.691 3.754 ( -0.000 -5.303 -2.194) 5.739 3.801 ( -0.000 -1.024 7.392) 7.462 4.022 ( 0.000 7.531 -1.553) 7.689 4.925 ( -0.000 -0.064 -7.720) 7.721 5.265 ( -0.000 -1.420 -3.199) 3.501 5.489 ( -0.000 -0.478 -1.705) 1.771 7.737 ( -0.000 -0.154 34.281) 34.281 8.690 ( -0.000 -0.299 30.453) 30.455 8.809 ( 0.000 0.006 5.295) 5.295 10.647 ( 0.000 0.051 7.664) 7.664 11.517 ( -0.000 -0.009 -11.299) 11.299 11.905 ( 0.000 3.677 -18.736) 19.094 12.774 ( -0.000 -0.036 9.568) 9.568 13.911 ( 0.000 0.003 -9.527) 9.527 15.075 ( -0.000 -14.344 17.921) 22.954 15.300 ( -0.000 -33.246 25.029) 41.614 16.260 ( 0.000 1.347 -6.012) 6.161 17.048 ( 0.000 9.843 -15.020) 17.957 ======================= Grid point 233 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 12.231 -0.000 13.014) 17.859 1.722 ( 11.140 -0.000 8.496) 14.010 2.064 ( -5.476 0.000 2.278) 5.930 2.107 ( 3.062 -0.000 0.199) 3.069 2.413 ( -1.240 0.000 14.131) 14.185 2.683 ( 2.956 -0.000 -5.994) 6.683 2.691 ( -5.930 0.000 -7.170) 9.304 3.082 ( -3.094 0.000 -1.663) 3.513 3.164 ( -2.751 0.000 -1.517) 3.142 3.196 ( -1.885 0.000 -5.972) 6.262 3.217 ( -0.388 0.000 4.037) 4.055 3.355 ( -2.681 0.000 1.214) 2.943 3.636 ( 1.486 -0.000 -7.761) 7.902 3.797 ( -2.205 0.000 -14.412) 14.579 4.465 ( 11.901 -0.000 9.766) 15.395 4.911 ( -3.194 0.000 -4.307) 5.362 5.306 ( -4.551 0.000 8.799) 9.906 5.414 ( 1.505 -0.000 -1.957) 2.469 8.176 ( 7.289 -0.000 34.980) 35.732 8.460 ( -5.019 0.000 28.272) 28.714 9.988 ( 20.998 -0.000 0.480) 21.004 11.138 ( -12.764 0.000 -16.325) 20.722 12.054 ( -2.435 0.000 66.534) 66.578 12.071 ( 20.980 -0.000 8.782) 22.744 12.741 ( 4.792 -0.000 1.354) 4.980 14.253 ( -0.789 0.000 -1.340) 1.555 14.501 ( -6.702 0.000 2.196) 7.052 14.965 ( -3.284 0.000 -10.649) 11.144 15.743 ( -8.188 0.000 -7.466) 11.081 16.594 ( -3.930 0.000 -13.740) 14.291 ======================= Grid point 234 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 11.172 -1.150 10.817) 15.593 1.826 ( 0.292 -0.197 8.430) 8.438 1.958 ( -5.111 1.681 3.250) 6.286 2.214 ( 7.389 -0.611 -2.126) 7.713 2.397 ( -0.331 0.371 15.487) 15.495 2.566 ( -7.011 0.779 -5.804) 9.135 2.646 ( -5.665 -1.335 -6.567) 8.775 3.049 ( 0.149 0.996 -4.049) 4.172 3.116 ( 0.011 0.490 -1.315) 1.403 3.177 ( -0.912 -0.392 -5.289) 5.381 3.279 ( 2.882 0.299 3.269) 4.368 3.300 ( -2.585 -1.015 1.767) 3.292 3.668 ( 1.870 0.764 -13.344) 13.496 3.750 ( -2.930 -0.727 -14.379) 14.693 4.657 ( 8.637 -0.866 8.853) 12.398 4.871 ( -1.154 0.213 -1.537) 1.934 5.222 ( -4.139 0.729 10.278) 11.104 5.429 ( 0.002 -0.275 -1.253) 1.283 8.247 ( -1.387 0.039 37.583) 37.608 8.409 ( 1.304 0.026 25.715) 25.748 10.185 ( -2.286 -0.102 0.415) 2.325 11.067 ( 8.144 0.302 -17.369) 19.186 12.024 ( -0.779 -0.261 70.882) 70.887 12.272 ( -0.035 -0.005 9.068) 9.068 12.781 ( -0.303 -0.000 1.923) 1.947 14.209 ( -0.358 -0.010 6.730) 6.739 14.472 ( 0.906 -0.012 -6.276) 6.341 14.791 ( -17.298 -0.607 -10.045) 20.012 15.710 ( 5.159 1.095 -9.404) 10.782 16.568 ( 1.156 -0.248 -14.678) 14.725 ======================= Grid point 235 (80/155) ======================= q-point: (-0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 3.559 3.094 8.963) 10.128 1.777 ( -4.826 0.323 11.929) 12.872 1.907 ( 1.816 0.007 1.570) 2.401 2.173 ( -11.389 0.988 -3.613) 11.990 2.433 ( 2.434 1.116 12.305) 12.593 2.480 ( -5.510 -3.648 -3.722) 7.585 2.636 ( 7.158 -0.806 -5.543) 9.089 3.070 ( 2.353 -0.209 -4.461) 5.048 3.132 ( 1.470 1.403 -1.926) 2.799 3.179 ( 0.750 -1.558 -0.086) 1.731 3.214 ( -4.718 -0.697 -2.503) 5.387 3.360 ( 3.544 -0.298 3.067) 4.696 3.651 ( -1.854 2.581 -13.252) 13.628 3.752 ( 1.724 -2.472 -15.046) 15.344 4.726 ( -1.759 2.323 11.114) 11.490 4.873 ( 1.571 -0.296 -0.152) 1.606 5.186 ( 1.123 -0.811 6.921) 7.058 5.417 ( -1.697 -0.378 -1.645) 2.394 8.151 ( -7.646 -0.235 34.673) 35.507 8.481 ( 5.180 0.308 29.203) 29.661 9.956 ( -20.149 -0.419 0.490) 20.159 11.356 ( 22.174 3.481 -18.347) 28.990 12.036 ( 0.781 -0.841 66.369) 66.379 12.071 ( -20.134 -0.189 11.292) 23.085 12.730 ( -5.554 -0.124 0.459) 5.575 14.240 ( 0.415 -0.122 -1.670) 1.725 14.423 ( -25.723 -6.443 -4.585) 26.911 14.532 ( 8.049 0.315 2.206) 8.351 15.857 ( 11.494 2.190 -9.617) 15.145 16.640 ( 6.789 0.042 -15.127) 16.581 ======================= Grid point 236 (81/155) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.602 9.647 6.642) 12.254 1.641 ( -10.717 3.170 11.643) 16.139 1.935 ( -9.997 -2.819 5.147) 11.592 2.024 ( 4.426 -2.570 -0.606) 5.154 2.388 ( -5.489 -2.910 -2.721) 6.782 2.477 ( 2.621 1.352 4.187) 5.121 2.802 ( 8.460 0.398 -5.271) 9.976 3.095 ( -5.607 -2.147 6.495) 8.844 3.118 ( 1.182 -1.638 -1.476) 2.502 3.186 ( 3.419 -0.043 -6.686) 7.510 3.253 ( 4.720 -1.792 -2.011) 5.434 3.416 ( 2.751 -0.177 1.259) 3.031 3.602 ( -0.836 2.302 -9.598) 9.905 3.830 ( 5.337 -1.552 -14.204) 15.252 4.573 ( -10.578 5.366 13.744) 18.154 4.915 ( 2.203 -0.943 -1.049) 2.616 5.264 ( 5.080 -2.042 2.041) 5.843 5.375 ( -3.475 -0.478 -2.976) 4.600 8.011 ( -8.329 -0.396 33.867) 34.879 8.563 ( 4.284 0.410 30.942) 31.240 9.569 ( -22.931 -0.138 2.019) 23.020 11.598 ( -22.225 1.264 3.887) 22.597 11.706 ( 13.155 6.458 -10.341) 17.936 12.088 ( 1.339 -1.317 50.373) 50.408 12.599 ( -8.245 -0.887 1.024) 8.356 14.065 ( -23.001 -15.694 7.401) 28.812 14.182 ( -6.495 -0.262 -9.007) 11.108 14.742 ( 14.201 0.549 10.257) 17.526 16.040 ( 10.941 2.470 -8.606) 14.138 16.793 ( 10.397 0.646 -15.615) 18.771 ======================= Grid point 237 (82/155) ======================= q-point: (-0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -4.397 13.290 5.453) 15.023 1.334 ( -20.041 2.773 8.278) 21.860 1.820 ( -5.579 -2.418 18.535) 19.507 2.119 ( 1.854 -2.486 -4.639) 5.580 2.348 ( -0.211 -0.564 -0.358) 0.701 2.514 ( 2.466 1.217 -2.353) 3.620 2.903 ( 4.725 1.838 -5.651) 7.591 3.017 ( -5.785 -4.748 7.988) 10.946 3.136 ( -0.058 -0.294 -1.010) 1.054 3.299 ( 7.626 -2.370 -2.138) 8.267 3.340 ( 2.983 -0.636 -2.846) 4.172 3.469 ( 2.819 -0.707 -1.588) 3.312 3.600 ( 2.493 0.670 -5.279) 5.877 3.957 ( 7.794 0.252 -9.521) 12.306 4.310 ( -13.322 5.378 12.965) 19.352 4.954 ( 0.830 -1.143 -3.590) 3.858 5.301 ( -3.978 -0.385 -5.039) 6.431 5.373 ( 4.078 -2.029 -0.256) 4.562 7.875 ( -7.263 -0.445 33.925) 34.696 8.624 ( 3.117 0.319 31.761) 31.915 9.189 ( -19.535 0.093 3.725) 19.887 11.130 ( -24.825 0.088 7.588) 25.959 11.878 ( 5.151 6.379 7.506) 11.116 12.001 ( -7.664 4.103 -9.269) 12.708 12.575 ( 5.008 -2.368 18.176) 19.002 13.914 ( -13.792 -27.873 26.133) 40.621 14.058 ( -7.073 -0.060 -10.039) 12.281 14.969 ( 11.510 0.688 12.176) 16.769 16.187 ( 7.944 2.505 -7.634) 11.299 16.974 ( 10.720 1.551 -16.566) 19.793 ======================= Grid point 238 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -19.445 0.505 12.234) 22.979 1.095 ( -2.976 15.456 5.587) 16.702 1.752 ( -2.855 1.247 24.022) 24.223 2.136 ( -1.181 -2.501 -4.343) 5.149 2.370 ( 2.228 1.997 -0.030) 2.992 2.537 ( 1.236 1.157 -7.259) 7.454 2.956 ( 2.883 1.255 -3.901) 5.010 2.982 ( -3.084 -6.289 8.760) 11.217 3.128 ( -0.439 0.772 -0.433) 0.988 3.361 ( 0.480 0.870 -4.974) 5.073 3.460 ( 5.606 -0.814 -0.611) 5.698 3.517 ( 3.512 -2.800 -0.501) 4.520 3.682 ( 5.591 -1.196 -2.156) 6.110 3.999 ( -8.464 3.016 7.828) 11.917 4.117 ( 2.037 3.308 -3.030) 4.927 4.950 ( -2.116 -0.797 -6.836) 7.200 5.246 ( -2.194 -0.849 -4.831) 5.373 5.446 ( 2.314 -1.454 -1.847) 3.299 7.773 ( -4.472 -0.354 34.161) 34.455 8.667 ( 1.885 0.039 31.884) 31.940 8.912 ( -11.350 0.075 4.904) 12.364 10.778 ( -14.320 0.081 7.621) 16.222 11.660 ( -14.809 0.209 -6.619) 16.222 12.006 ( 6.195 9.158 -11.405) 15.885 12.711 ( 6.502 -0.649 14.347) 15.766 13.951 ( -4.495 -0.581 -8.738) 9.843 14.039 ( -4.296 -39.875 43.532) 59.191 15.121 ( 6.181 0.641 12.862) 14.285 16.274 ( 4.130 2.448 -6.967) 8.461 17.121 ( 7.324 2.624 -17.978) 19.589 ======================= Grid point 239 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -0.000 -0.582 16.909) 16.919 0.938 ( 0.000 15.882 7.095) 17.395 1.707 ( 0.000 2.864 26.783) 26.935 2.143 ( -0.000 -2.560 -3.804) 4.585 2.369 ( 0.000 3.239 -0.025) 3.239 2.540 ( 0.000 0.864 -9.448) 9.487 2.976 ( 0.000 1.347 -3.285) 3.551 3.011 ( -0.000 -7.324 8.686) 11.362 3.114 ( 0.000 1.255 -0.125) 1.261 3.356 ( 0.000 0.938 -5.015) 5.102 3.478 ( 0.000 0.838 -1.200) 1.464 3.632 ( -0.000 -5.858 0.364) 5.870 3.778 ( -0.000 -1.787 8.024) 8.221 3.828 ( 0.000 4.273 0.107) 4.275 4.125 ( 0.000 4.891 -3.692) 6.128 4.924 ( -0.000 -0.090 -7.745) 7.746 5.239 ( -0.000 -1.493 -3.977) 4.248 5.476 ( -0.000 -1.049 -2.190) 2.428 7.734 ( -0.000 -0.249 34.291) 34.292 8.686 ( -0.000 -0.216 31.465) 31.466 8.809 ( 0.000 0.011 5.312) 5.312 10.648 ( 0.000 0.082 7.674) 7.674 11.517 ( -0.000 -0.014 -11.287) 11.287 11.995 ( 0.000 7.396 -13.051) 15.001 12.774 ( -0.000 -0.059 9.657) 9.657 13.911 ( 0.000 0.004 -9.508) 9.508 14.382 ( -0.000 -49.055 49.655) 69.800 15.172 ( 0.000 0.072 13.307) 13.307 16.291 ( 0.000 2.265 -6.553) 6.934 17.163 ( 0.000 4.303 -18.597) 19.088 ======================= Grid point 244 (85/155) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 6.344 -0.000 8.426) 10.547 1.780 ( -4.225 0.000 12.550) 13.242 1.911 ( 0.273 -0.000 1.021) 1.057 2.182 ( -12.423 0.000 -4.262) 13.134 2.443 ( -6.634 0.000 -4.177) 7.840 2.449 ( 4.019 -0.000 13.634) 14.214 2.629 ( 7.213 -0.000 -5.610) 9.138 3.069 ( 1.611 -0.000 -4.148) 4.450 3.152 ( 3.294 -0.000 -2.426) 4.091 3.155 ( -1.739 0.000 0.935) 1.974 3.208 ( -5.015 0.000 -3.865) 6.332 3.358 ( 3.848 -0.000 3.171) 4.986 3.688 ( -3.067 0.000 -12.473) 12.845 3.716 ( 3.155 -0.000 -15.740) 16.053 4.744 ( 0.046 -0.000 10.974) 10.975 4.871 ( 1.067 -0.000 -0.197) 1.085 5.180 ( 0.194 -0.000 7.191) 7.194 5.414 ( -1.672 0.000 -1.757) 2.426 8.149 ( -7.692 0.000 34.629) 35.473 8.484 ( 5.212 -0.000 29.312) 29.771 9.953 ( -20.019 0.000 0.539) 20.026 11.387 ( 23.594 -0.000 -19.237) 30.442 12.027 ( 1.268 -0.000 69.621) 69.633 12.069 ( -21.106 0.000 8.835) 22.880 12.729 ( -5.623 0.000 0.409) 5.638 14.239 ( 0.481 -0.000 -1.713) 1.780 14.369 ( -28.024 0.000 -3.893) 28.293 14.534 ( 8.148 -0.000 2.193) 8.438 15.876 ( 11.319 -0.000 -10.064) 15.146 16.640 ( 6.955 -0.000 -15.135) 16.657 ======================= Grid point 245 (86/155) ======================= q-point: (-0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.984 4.103 5.264) 6.746 1.677 ( -8.951 1.082 12.986) 15.809 1.904 ( -14.798 -0.913 4.027) 15.364 1.989 ( 5.715 -1.433 -2.316) 6.331 2.354 ( -3.780 -1.115 -1.758) 4.316 2.494 ( 2.405 0.590 3.961) 4.671 2.807 ( 9.975 0.185 -4.170) 10.813 3.066 ( -7.437 -1.027 6.881) 10.184 3.101 ( 1.540 -0.496 -2.152) 2.692 3.186 ( 2.216 0.039 -6.619) 6.980 3.228 ( 4.665 -0.991 -3.358) 5.833 3.414 ( 2.726 0.006 1.403) 3.066 3.639 ( -1.399 1.634 -10.017) 10.245 3.804 ( 6.367 -1.263 -14.250) 15.659 4.634 ( -10.781 1.970 14.526) 18.196 4.905 ( 2.289 -0.338 -0.368) 2.342 5.240 ( 5.283 -0.781 1.563) 5.564 5.368 ( -3.575 -0.224 -3.330) 4.891 8.006 ( -8.330 -0.139 33.865) 34.874 8.568 ( 4.253 0.171 31.179) 31.468 9.568 ( -22.690 -0.055 2.111) 22.788 11.607 ( -26.975 0.152 6.788) 27.817 11.803 ( 21.341 4.105 -19.046) 28.897 12.059 ( 0.909 -1.681 57.315) 57.347 12.588 ( -9.642 -0.388 -0.222) 9.652 13.886 ( -27.678 -5.778 8.721) 29.589 14.180 ( -6.235 -0.065 -9.116) 11.045 14.748 ( 14.218 0.201 10.182) 17.489 16.069 ( 10.633 0.961 -9.179) 14.079 16.799 ( 10.621 0.139 -15.778) 19.020 ======================= Grid point 246 (87/155) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -22.455 1.470 5.759) 23.228 1.472 ( -2.545 9.784 3.380) 10.660 1.777 ( -3.341 -2.887 19.315) 19.814 2.082 ( 2.049 -1.769 -4.633) 5.366 2.342 ( 1.994 -0.192 -0.123) 2.007 2.532 ( 2.372 0.815 -2.439) 3.498 2.930 ( 3.835 1.198 -4.347) 5.920 2.953 ( -5.593 -2.574 6.786) 9.163 3.124 ( 0.413 -0.830 -0.726) 1.177 3.272 ( 6.984 -1.016 -2.049) 7.349 3.321 ( 4.176 -1.397 -3.779) 5.802 3.462 ( 2.786 -0.179 -1.597) 3.216 3.619 ( 0.772 1.318 -6.948) 7.114 3.954 ( 9.309 -0.448 -9.541) 13.337 4.376 ( -15.496 2.622 14.571) 21.431 4.943 ( 1.305 -0.295 -2.171) 2.550 5.296 ( -4.230 -0.240 -5.622) 7.040 5.344 ( 4.690 -1.366 -1.246) 5.042 7.869 ( -7.199 -0.251 33.958) 34.714 8.629 ( 3.001 0.256 32.217) 32.357 9.191 ( -19.482 0.046 3.805) 19.850 11.131 ( -24.862 0.038 7.648) 26.012 11.943 ( -10.075 1.816 20.332) 22.763 12.109 ( 10.656 8.195 -22.707) 26.388 12.523 ( 3.875 -4.070 20.086) 20.857 13.550 ( -19.847 -16.050 26.971) 37.134 14.057 ( -7.042 -0.033 -10.100) 12.313 14.978 ( 11.498 0.389 12.132) 16.719 16.222 ( 7.733 1.558 -8.239) 11.406 16.989 ( 10.793 0.472 -16.962) 20.110 ======================= Grid point 247 (88/155) ======================= q-point: (-0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -20.836 0.303 10.178) 23.191 1.335 ( -1.931 13.564 3.189) 14.067 1.761 ( -0.947 -0.611 22.636) 22.664 2.099 ( -0.921 -1.935 -3.478) 4.086 2.399 ( 3.774 1.457 -0.815) 4.127 2.558 ( 1.339 1.166 -6.726) 6.957 2.879 ( -4.333 -5.169 8.363) 10.744 2.988 ( 2.640 1.709 -4.296) 5.324 3.130 ( -0.230 -0.416 -0.236) 0.530 3.367 ( 1.371 -0.209 -5.214) 5.395 3.442 ( 9.337 -1.015 1.515) 9.513 3.502 ( 1.410 0.393 -4.302) 4.545 3.660 ( 4.042 -1.290 -2.715) 5.037 4.045 ( -9.191 2.533 8.806) 12.978 4.142 ( 1.197 0.042 -1.452) 1.883 4.943 ( -1.448 -0.152 -5.624) 5.809 5.235 ( -2.411 -0.468 -6.434) 6.887 5.422 ( 2.656 -1.332 -2.676) 3.999 7.768 ( -4.356 -0.270 34.197) 34.474 8.669 ( 1.721 0.180 32.638) 32.684 8.913 ( -11.426 0.046 4.941) 12.449 10.779 ( -14.310 0.060 7.639) 16.221 11.664 ( -15.222 0.162 -6.843) 16.690 12.182 ( 6.851 12.318 -7.132) 15.796 12.691 ( 8.123 -2.085 14.916) 17.112 13.467 ( -10.051 -29.049 44.613) 54.177 13.952 ( -4.525 -0.017 -9.756) 10.754 15.131 ( 6.120 0.528 12.794) 14.192 16.311 ( 4.029 1.981 -7.586) 8.815 17.147 ( 7.067 0.772 -18.471) 19.792 ======================= Grid point 248 (89/155) ======================= q-point: (-0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -0.000 -0.344 15.119) 15.123 1.197 ( 0.000 15.425 3.843) 15.896 1.747 ( 0.000 1.619 24.293) 24.347 2.104 ( -0.000 -2.124 -2.848) 3.553 2.418 ( 0.000 2.700 -1.018) 2.885 2.558 ( 0.000 1.347 -8.518) 8.624 2.890 ( -0.000 -6.956 9.231) 11.558 3.000 ( 0.000 1.510 -3.742) 4.036 3.128 ( 0.000 0.231 -0.118) 0.259 3.373 ( 0.000 0.748 -5.673) 5.722 3.498 ( 0.000 1.467 -3.412) 3.714 3.567 ( -0.000 -2.009 -1.329) 2.409 3.746 ( -0.000 -1.981 8.976) 9.192 3.867 ( 0.000 0.638 2.556) 2.634 4.181 ( 0.000 2.161 -3.007) 3.703 4.922 ( -0.000 -0.072 -7.781) 7.782 5.221 ( -0.000 -0.756 -5.590) 5.641 5.456 ( -0.000 -1.295 -2.911) 3.186 7.730 ( -0.000 -0.250 34.304) 34.305 8.684 ( 0.000 0.028 32.457) 32.457 8.809 ( 0.000 0.011 5.334) 5.334 10.650 ( 0.000 0.082 7.686) 7.687 11.516 ( -0.000 -0.014 -11.272) 11.272 12.146 ( 0.000 11.217 -6.885) 13.161 12.773 ( -0.000 -0.059 9.766) 9.766 13.664 ( -0.000 -38.585 53.731) 66.150 13.911 ( 0.000 0.004 -9.484) 9.484 15.180 ( 0.000 0.609 13.003) 13.017 16.329 ( 0.000 2.274 -7.184) 7.536 17.204 ( 0.000 1.254 -19.270) 19.310 ======================= Grid point 255 (90/155) ======================= q-point: (-0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -23.426 0.000 4.702) 23.893 1.566 ( -1.045 0.000 0.907) 1.384 1.743 ( -3.341 0.000 21.496) 21.754 2.067 ( 2.239 -0.000 -4.616) 5.130 2.340 ( 2.780 -0.000 -0.131) 2.783 2.538 ( 2.289 -0.000 -2.488) 3.381 2.926 ( -7.448 0.000 7.326) 10.447 2.947 ( 5.597 -0.000 -5.027) 7.523 3.117 ( 0.522 -0.000 -0.596) 0.792 3.264 ( 6.990 -0.000 -1.202) 7.092 3.307 ( 4.329 -0.000 -4.818) 6.477 3.461 ( 2.801 -0.000 -1.467) 3.162 3.632 ( -0.078 0.000 -7.746) 7.746 3.949 ( 10.085 -0.000 -9.349) 13.752 4.397 ( -16.450 0.000 15.327) 22.484 4.941 ( 1.548 -0.000 -1.771) 2.352 5.294 ( -4.481 0.000 -5.810) 7.337 5.333 ( 5.088 -0.000 -1.683) 5.359 7.867 ( -7.178 0.000 33.966) 34.717 8.631 ( 2.964 -0.000 32.386) 32.521 9.191 ( -19.462 0.000 3.847) 19.839 11.131 ( -24.868 0.000 7.665) 26.023 11.956 ( -13.350 0.000 19.879) 23.946 12.197 ( 18.855 -0.000 -27.080) 32.997 12.473 ( 0.119 -0.000 25.209) 25.209 13.416 ( -22.214 0.000 27.149) 35.079 14.057 ( -7.021 0.000 -10.121) 12.318 14.981 ( 11.487 -0.000 12.099) 16.683 16.235 ( 7.647 -0.000 -8.470) 11.411 16.993 ( 10.796 -0.000 -17.036) 20.169 ======================= Grid point 257 (91/155) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -21.443 0.102 8.888) 23.212 1.517 ( -0.828 7.748 0.004) 7.793 1.728 ( -0.552 -2.859 24.044) 24.220 2.076 ( -0.628 -0.732 -2.994) 3.146 2.416 ( 4.574 0.529 -1.317) 4.789 2.571 ( 1.460 0.410 -6.578) 6.751 2.821 ( -4.967 -1.820 7.715) 9.354 3.009 ( 2.229 0.777 -4.866) 5.409 3.121 ( -0.076 -0.388 -0.058) 0.399 3.362 ( 1.800 -0.165 -5.486) 5.776 3.429 ( 10.654 -0.500 2.641) 10.988 3.512 ( 2.600 0.448 -5.353) 5.968 3.645 ( 1.949 -0.505 -3.724) 4.234 4.080 ( -14.185 1.679 11.704) 18.467 4.129 ( 5.097 -1.122 -1.719) 5.495 4.943 ( -1.365 0.058 -5.093) 5.273 5.230 ( -2.321 -0.141 -7.461) 7.815 5.406 ( 2.838 -0.548 -3.244) 4.345 7.764 ( -4.298 -0.100 34.212) 34.481 8.672 ( 1.638 0.097 33.063) 33.103 8.913 ( -11.465 0.015 4.975) 12.498 10.779 ( -14.298 0.022 7.649) 16.215 11.665 ( -15.472 0.060 -7.006) 16.985 12.393 ( 9.144 12.401 -13.393) 20.415 12.623 ( 10.550 -6.807 23.894) 26.992 13.123 ( -15.919 -11.697 42.918) 47.246 13.952 ( -4.509 -0.004 -9.766) 10.757 15.137 ( 6.091 0.180 12.733) 14.116 16.334 ( 3.966 0.757 -7.965) 8.930 17.153 ( 6.913 0.149 -18.526) 19.774 ======================= Grid point 258 (92/155) ======================= q-point: (-0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.000 -0.095 13.525) 13.525 1.425 ( 0.000 12.103 1.667) 12.217 1.746 ( -0.000 -1.962 23.208) 23.291 2.076 ( -0.000 -1.222 -2.234) 2.547 2.453 ( 0.000 1.522 -1.614) 2.219 2.578 ( 0.000 0.946 -8.032) 8.088 2.798 ( -0.000 -4.033 7.947) 8.911 3.021 ( 0.000 1.044 -4.306) 4.431 3.124 ( -0.000 -0.502 0.104) 0.512 3.377 ( -0.000 -0.076 -5.726) 5.726 3.524 ( 0.000 1.643 -5.984) 6.206 3.556 ( 0.000 0.023 -2.816) 2.816 3.718 ( -0.000 -1.345 9.935) 10.026 3.859 ( -0.000 -1.070 6.133) 6.226 4.203 ( 0.000 0.765 -0.984) 1.246 4.921 ( -0.000 -0.036 -7.814) 7.814 5.214 ( -0.000 -0.184 -7.196) 7.199 5.437 ( -0.000 -0.917 -3.580) 3.695 7.726 ( -0.000 -0.155 34.314) 34.314 8.686 ( 0.000 0.110 33.135) 33.135 8.809 ( 0.000 0.007 5.351) 5.351 10.651 ( 0.000 0.051 7.696) 7.696 11.516 ( -0.000 -0.009 -11.259) 11.259 12.359 ( 0.000 14.724 -5.808) 15.828 12.772 ( -0.000 -0.037 9.854) 9.854 13.127 ( -0.000 -27.636 54.558) 61.158 13.911 ( 0.000 0.002 -9.465) 9.465 15.188 ( 0.000 0.341 12.927) 12.931 16.360 ( 0.000 1.406 -7.685) 7.813 17.215 ( 0.000 0.265 -19.277) 19.279 ======================= Grid point 268 (93/155) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 0.000 12.882) 12.882 1.548 ( 0.000 0.000 -3.453) 3.453 1.708 ( 0.000 0.000 27.314) 27.314 2.066 ( 0.000 0.000 -2.008) 2.008 2.466 ( 0.000 0.000 -1.820) 1.820 2.586 ( 0.000 0.000 -8.017) 8.017 2.765 ( 0.000 0.000 7.399) 7.399 3.030 ( 0.000 0.000 -4.585) 4.585 3.119 ( 0.000 0.000 0.148) 0.148 3.376 ( 0.000 0.000 -5.862) 5.862 3.542 ( 0.000 0.000 -7.389) 7.389 3.555 ( 0.000 0.000 -3.423) 3.423 3.707 ( 0.000 0.000 10.362) 10.362 3.848 ( 0.000 0.000 8.264) 8.264 4.209 ( 0.000 0.000 -0.039) 0.039 4.921 ( 0.000 0.000 -7.828) 7.828 5.212 ( 0.000 0.000 -7.849) 7.849 5.429 ( 0.000 0.000 -3.848) 3.848 7.725 ( 0.000 0.000 34.318) 34.318 8.687 ( 0.000 0.000 33.375) 33.375 8.810 ( 0.000 0.000 5.358) 5.358 10.651 ( 0.000 0.000 7.700) 7.700 11.516 ( 0.000 0.000 -11.254) 11.254 12.554 ( 0.000 0.000 -31.784) 31.784 12.771 ( 0.000 0.000 9.888) 9.888 12.827 ( 0.000 0.000 80.585) 80.585 13.911 ( 0.000 0.000 -9.457) 9.457 15.191 ( 0.000 0.000 12.883) 12.883 16.372 ( 0.000 0.000 -7.875) 7.875 17.217 ( 0.000 0.000 -19.227) 19.227 ======================= Grid point 315 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 0.000 17.277) 17.277 1.129 ( 0.000 0.000 17.409) 17.409 1.896 ( 0.000 0.000 -6.523) 6.523 2.013 ( 0.000 0.000 -11.544) 11.544 2.400 ( 0.000 0.000 6.764) 6.764 2.525 ( 0.000 0.000 12.160) 12.160 2.857 ( 0.000 0.000 -6.357) 6.357 3.071 ( 0.000 0.000 -3.665) 3.665 3.105 ( 0.000 0.000 1.291) 1.291 3.299 ( 0.000 0.000 -4.669) 4.669 3.640 ( 0.000 0.000 3.392) 3.392 3.669 ( 0.000 0.000 3.078) 3.078 3.866 ( 0.000 0.000 1.358) 1.358 3.937 ( 0.000 0.000 1.229) 1.229 4.000 ( 0.000 0.000 11.579) 11.579 4.742 ( 0.000 0.000 -10.652) 10.652 5.233 ( 0.000 0.000 -0.899) 0.899 5.439 ( 0.000 0.000 -3.887) 3.887 8.383 ( 0.000 0.000 28.535) 28.535 8.916 ( 0.000 0.000 4.783) 4.783 9.356 ( 0.000 0.000 35.821) 35.821 10.803 ( 0.000 0.000 7.732) 7.732 11.293 ( 0.000 0.000 -10.802) 10.802 11.385 ( 0.000 0.000 -28.023) 28.023 12.977 ( 0.000 0.000 10.806) 10.806 13.694 ( 0.000 0.000 -11.950) 11.950 15.383 ( 0.000 0.000 13.868) 13.868 15.956 ( 0.000 0.000 12.813) 12.813 16.106 ( 0.000 0.000 -8.750) 8.750 16.725 ( 0.000 0.000 -11.249) 11.249 ======================= Grid point 316 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 4.710 -3.156 16.446) 17.396 1.253 ( 12.718 0.394 15.727) 20.230 1.912 ( 1.760 -0.664 -6.980) 7.229 2.039 ( 2.925 0.662 -9.771) 10.221 2.380 ( -1.433 -0.382 4.681) 4.911 2.570 ( 3.990 0.161 13.459) 14.039 2.814 ( -4.524 -0.487 -6.718) 8.114 3.081 ( 0.600 -0.391 -2.608) 2.704 3.114 ( 0.663 -0.884 0.943) 1.453 3.306 ( 0.687 0.065 -4.461) 4.514 3.563 ( -4.035 5.181 3.068) 7.248 3.637 ( -6.230 -2.926 1.431) 7.031 3.772 ( -5.683 6.359 2.012) 8.762 3.905 ( -6.348 -4.244 -0.228) 7.639 4.101 ( 8.952 -2.227 11.013) 14.366 4.778 ( 3.317 -0.199 -10.648) 11.155 5.241 ( 1.444 0.704 -0.431) 1.663 5.438 ( 0.141 0.525 -3.250) 3.295 8.426 ( 4.641 0.083 28.754) 29.127 9.007 ( 10.082 -0.018 4.177) 10.913 9.338 ( -2.151 -0.403 35.877) 35.944 10.930 ( 13.985 -0.074 7.478) 15.859 11.353 ( -4.515 -2.277 -26.816) 27.288 11.464 ( 18.487 -0.103 -10.714) 21.368 12.994 ( 1.928 0.006 12.883) 13.026 13.734 ( 4.364 -0.000 -11.998) 12.767 15.331 ( -5.882 0.061 13.936) 15.126 15.762 ( -15.102 11.741 16.849) 25.491 16.068 ( -4.296 -0.615 -8.517) 9.559 16.690 ( -5.195 -2.043 -12.754) 13.922 ======================= Grid point 317 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 8.029 -5.387 14.723) 17.614 1.496 ( 13.428 -0.496 12.824) 18.575 1.976 ( 4.756 -0.532 -7.455) 8.858 2.084 ( 2.586 1.723 -5.943) 6.706 2.378 ( 1.487 0.281 1.826) 2.372 2.627 ( 2.488 1.431 12.993) 13.306 2.729 ( -5.258 -1.213 -6.390) 8.363 3.090 ( -0.144 -0.590 -1.495) 1.614 3.142 ( 1.338 -1.508 0.092) 2.018 3.315 ( -0.088 0.101 -3.709) 3.712 3.429 ( -6.929 4.529 2.218) 8.570 3.514 ( -8.422 -0.274 1.090) 8.497 3.621 ( -4.066 6.921 -1.150) 8.109 3.779 ( -10.100 -1.515 -3.884) 10.927 4.314 ( 10.823 -6.002 10.432) 16.186 4.834 ( 1.903 -1.117 -8.528) 8.808 5.279 ( 3.589 0.919 -0.020) 3.705 5.433 ( 0.160 1.507 -1.387) 2.054 8.534 ( 7.542 0.193 29.382) 30.335 9.253 ( 17.287 -0.037 2.217) 17.428 9.290 ( -3.748 -0.681 35.829) 36.031 11.184 ( -0.036 -3.008 -16.034) 16.314 11.352 ( 15.651 -0.954 -0.916) 15.707 11.890 ( 27.969 -0.210 -8.991) 29.379 13.044 ( 3.864 0.074 18.882) 19.274 13.840 ( 7.448 0.058 -11.932) 14.066 15.172 ( -11.742 1.544 14.364) 18.616 15.331 ( -19.219 13.849 20.131) 31.087 15.966 ( -8.109 -1.066 -7.989) 11.433 16.579 ( -8.763 -1.623 -15.289) 17.697 ======================= Grid point 318 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.424 -6.506 13.230) 17.497 1.713 ( 10.209 -2.053 8.512) 13.449 2.063 ( 4.216 0.292 -3.614) 5.561 2.087 ( -0.259 2.458 -2.260) 3.349 2.433 ( 5.504 1.906 -1.632) 6.049 2.606 ( -3.245 1.948 0.431) 3.809 2.675 ( -1.720 -0.589 3.416) 3.870 3.085 ( -0.917 -0.598 -1.360) 1.746 3.174 ( -1.088 -0.324 -1.654) 2.006 3.207 ( -8.316 2.754 0.417) 8.770 3.331 ( -2.875 1.317 1.315) 3.425 3.389 ( -3.971 -0.109 -2.903) 4.920 3.517 ( -2.846 4.846 -2.606) 6.194 3.618 ( -7.163 0.766 -8.673) 11.274 4.555 ( 9.712 -7.439 8.843) 15.095 4.860 ( -0.005 -1.645 -4.357) 4.657 5.340 ( 3.691 0.994 0.366) 3.840 5.420 ( 0.332 2.197 1.266) 2.557 8.678 ( 8.838 0.293 30.307) 31.571 9.216 ( -5.353 -0.747 35.435) 35.845 9.592 ( 20.730 0.132 -0.971) 20.753 11.046 ( -13.617 -4.333 -23.990) 27.924 11.808 ( 28.929 0.035 10.173) 30.666 12.376 ( 25.034 -0.509 -4.888) 25.511 13.132 ( 6.272 -0.032 29.366) 30.028 13.984 ( 8.810 0.151 -11.033) 14.120 14.881 ( -13.250 11.427 15.359) 23.282 14.951 ( -17.214 2.098 12.117) 21.155 15.806 ( -10.954 -1.336 -7.160) 13.155 16.428 ( -8.986 -0.910 -17.107) 19.345 ======================= Grid point 319 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 8.147 -6.086 12.519) 16.128 1.884 ( 6.664 -1.788 4.415) 8.192 2.033 ( -1.961 3.302 2.372) 4.514 2.123 ( 2.419 -0.151 -1.224) 2.716 2.504 ( -0.325 2.868 -4.916) 5.701 2.528 ( 0.521 1.017 -3.378) 3.567 2.658 ( -0.553 -0.164 6.644) 6.669 3.003 ( -7.616 2.336 -1.814) 8.170 3.075 ( -0.944 -0.033 -2.760) 2.917 3.134 ( -5.919 0.934 -2.999) 6.701 3.289 ( 0.717 -0.451 0.497) 0.982 3.376 ( -0.367 -1.003 -3.069) 3.249 3.445 ( -1.380 3.072 -4.673) 5.760 3.532 ( -2.322 0.944 -9.441) 9.768 4.753 ( 6.143 -5.608 6.359) 10.470 4.866 ( -0.495 -1.184 -0.839) 1.533 5.362 ( 0.340 2.318 4.117) 4.737 5.429 ( 1.774 0.489 1.390) 2.306 8.833 ( 8.972 0.392 31.341) 32.602 9.114 ( -6.926 -0.662 34.678) 35.369 9.950 ( 19.283 0.622 -3.924) 19.688 10.816 ( -15.300 -3.292 -22.624) 27.509 12.271 ( 21.601 0.004 11.146) 24.307 12.711 ( 11.890 -0.357 -0.829) 11.924 13.261 ( 7.315 -0.525 45.943) 46.525 14.143 ( 9.750 0.187 -7.610) 12.370 14.622 ( -14.452 1.638 5.984) 15.728 14.643 ( -8.534 6.785 0.851) 10.935 15.627 ( -9.522 -1.203 -5.390) 11.008 16.299 ( -5.731 -0.409 -17.833) 18.736 ======================= Grid point 320 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 -0.000 12.660) 12.660 1.928 ( 0.000 -0.000 3.192) 3.192 2.015 ( 0.000 -0.000 5.732) 5.732 2.150 ( 0.000 -0.000 -4.103) 4.103 2.447 ( 0.000 -0.000 -3.184) 3.184 2.556 ( 0.000 -0.000 -5.797) 5.797 2.658 ( 0.000 -0.000 9.446) 9.446 2.919 ( 0.000 -0.000 -3.429) 3.429 3.059 ( 0.000 0.000 -7.306) 7.306 3.072 ( 0.000 -0.000 -1.468) 1.468 3.307 ( 0.000 -0.000 -0.967) 0.967 3.373 ( 0.000 -0.000 -1.946) 1.946 3.422 ( 0.000 0.000 -5.246) 5.246 3.509 ( 0.000 -0.000 -9.393) 9.393 4.838 ( -0.000 -0.000 4.630) 4.630 4.862 ( 0.000 -0.000 0.635) 0.635 5.350 ( 0.000 -0.000 6.501) 6.501 5.445 ( 0.000 -0.000 1.183) 1.183 8.966 ( 0.000 -0.000 29.806) 29.806 9.000 ( -0.000 -0.000 36.289) 36.289 10.162 ( 0.000 -0.000 -3.834) 3.834 10.651 ( 0.000 -0.000 -23.305) 23.305 12.478 ( -0.000 -0.000 11.210) 11.210 12.811 ( 0.000 -0.000 0.890) 0.890 13.339 ( 0.000 -0.000 56.670) 56.670 14.342 ( 0.001 0.000 5.944) 5.944 14.342 ( -0.001 -0.000 -6.055) 6.055 14.567 ( 0.000 -0.000 -12.842) 12.842 15.539 ( 0.000 -0.000 -3.872) 3.872 16.249 ( 0.000 -0.000 -17.948) 17.948 ======================= Grid point 327 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 8.336 -0.000 16.170) 18.192 1.492 ( 12.733 -0.000 13.429) 18.506 1.971 ( 5.030 -0.000 -8.293) 9.699 2.099 ( 2.892 -0.000 -5.628) 6.327 2.381 ( 2.060 -0.000 1.599) 2.608 2.641 ( 3.388 -0.000 14.137) 14.538 2.719 ( -5.560 0.000 -7.295) 9.172 3.086 ( 0.010 -0.000 -2.335) 2.335 3.127 ( 1.229 -0.000 1.059) 1.622 3.316 ( -0.007 0.000 -4.137) 4.137 3.482 ( -7.753 0.000 2.132) 8.040 3.496 ( -7.482 0.000 1.390) 7.610 3.704 ( -5.585 0.000 -3.677) 6.687 3.746 ( -8.811 0.000 0.180) 8.813 4.261 ( 10.463 -0.000 10.430) 14.774 4.824 ( 1.642 -0.000 -9.583) 9.723 5.286 ( 3.393 -0.000 0.217) 3.400 5.445 ( 0.354 -0.000 -1.298) 1.345 8.536 ( 7.556 -0.000 29.311) 30.269 9.252 ( 17.348 -0.000 2.211) 17.489 9.285 ( -3.719 0.000 35.515) 35.709 11.158 ( -2.170 0.000 -17.999) 18.130 11.346 ( 18.160 -0.000 1.445) 18.217 11.888 ( 27.886 -0.000 -8.893) 29.270 13.045 ( 3.875 -0.000 18.840) 19.234 13.840 ( 7.478 -0.000 -11.918) 14.069 15.178 ( -11.627 0.000 13.500) 17.816 15.459 ( -22.293 0.000 16.642) 27.820 15.957 ( -8.000 0.000 -7.817) 11.185 16.562 ( -8.165 0.000 -13.714) 15.961 ======================= Grid point 328 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 10.055 -2.496 15.146) 18.350 1.690 ( 9.906 -0.769 9.203) 13.543 2.056 ( 3.765 -0.385 -5.057) 6.317 2.123 ( 0.253 1.302 -1.444) 1.961 2.455 ( 6.215 0.721 -2.029) 6.578 2.626 ( -4.616 0.425 -6.513) 7.994 2.675 ( 0.134 0.301 10.287) 10.292 3.081 ( -0.485 0.040 -2.414) 2.462 3.155 ( 1.153 -1.005 0.015) 1.529 3.247 ( -9.144 1.408 -0.065) 9.252 3.354 ( -5.455 1.411 1.067) 5.735 3.383 ( -3.583 -0.743 -1.501) 3.955 3.585 ( -5.447 3.035 -2.666) 6.782 3.621 ( -5.836 -0.493 -7.185) 9.269 4.462 ( 10.590 -3.277 8.884) 14.206 4.839 ( 0.082 -0.731 -6.171) 6.215 5.352 ( 3.812 0.357 0.617) 3.878 5.446 ( -0.002 0.853 1.458) 1.689 8.681 ( 8.864 0.117 30.138) 31.415 9.208 ( -5.203 -0.266 35.089) 35.473 9.594 ( 20.960 0.059 -0.987) 20.984 10.997 ( -12.693 -1.604 -23.228) 26.518 11.808 ( 28.935 0.020 10.145) 30.662 12.370 ( 24.946 -0.211 -4.541) 25.356 13.131 ( 6.045 -0.009 29.051) 29.673 13.985 ( 8.838 0.056 -11.013) 14.121 14.929 ( -16.380 0.056 12.102) 20.365 15.064 ( -18.570 5.318 11.242) 22.349 15.792 ( -10.703 -0.384 -6.699) 12.633 16.414 ( -8.507 -0.578 -15.803) 17.956 ======================= Grid point 329 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 9.681 -3.903 13.706) 17.228 1.858 ( 7.974 -1.244 4.410) 9.197 2.082 ( -2.462 2.420 1.733) 3.863 2.115 ( 2.308 -0.651 -0.671) 2.490 2.537 ( -4.898 1.297 -5.612) 7.561 2.549 ( 3.972 1.329 -4.312) 6.011 2.654 ( -1.333 -0.287 7.202) 7.330 3.042 ( -7.230 2.290 0.052) 7.584 3.080 ( -2.192 0.547 -4.633) 5.154 3.142 ( -4.531 -0.002 -1.523) 4.780 3.281 ( -0.271 -0.446 0.917) 1.055 3.365 ( -0.684 -0.333 -2.143) 2.274 3.488 ( -2.984 2.083 -4.785) 6.012 3.544 ( -3.111 0.434 -9.129) 9.654 4.668 ( 8.845 -4.240 6.739) 11.901 4.847 ( 0.157 -0.981 -2.263) 2.472 5.396 ( 1.151 1.608 2.535) 3.215 5.436 ( 0.074 0.337 2.958) 2.979 8.838 ( 9.037 0.259 31.126) 32.413 9.106 ( -6.734 -0.360 34.539) 35.191 9.958 ( 19.595 0.406 -3.953) 19.994 10.773 ( -13.559 -1.924 -21.982) 25.899 12.272 ( 21.588 0.018 11.104) 24.276 12.706 ( 12.187 -0.297 -0.463) 12.200 13.253 ( 7.017 -0.371 44.854) 45.401 14.146 ( 9.719 0.110 -7.704) 12.403 14.622 ( -17.835 -0.148 8.084) 19.582 14.757 ( -11.334 5.287 -2.914) 12.841 15.615 ( -8.571 -0.322 -4.765) 9.812 16.292 ( -5.414 -0.467 -17.217) 18.054 ======================= Grid point 330 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 6.011 -2.667 12.153) 13.818 1.946 ( -0.178 1.382 3.666) 3.922 2.015 ( -1.257 0.455 4.926) 5.104 2.153 ( 0.339 0.214 -3.393) 3.417 2.450 ( -2.215 0.517 -3.284) 3.995 2.546 ( -3.109 -1.180 -5.728) 6.624 2.660 ( 0.741 0.227 9.521) 9.552 2.931 ( -1.749 1.288 -3.840) 4.412 3.064 ( 0.109 0.604 -6.079) 6.110 3.076 ( -0.893 0.426 -2.061) 2.286 3.306 ( 1.012 -0.277 -1.755) 2.045 3.354 ( -0.829 -1.482 -1.079) 2.012 3.440 ( -1.198 1.601 -5.379) 5.739 3.505 ( -1.244 -0.512 -9.311) 9.407 4.820 ( 4.997 -1.819 4.749) 7.130 4.860 ( 0.609 -0.309 0.353) 0.769 5.364 ( -2.050 1.543 6.309) 6.810 5.443 ( -0.277 -0.356 1.392) 1.464 8.964 ( -3.342 -0.184 30.132) 30.317 9.003 ( 3.648 0.289 35.966) 36.151 10.161 ( -1.797 -0.127 -3.827) 4.230 10.654 ( 4.411 0.326 -23.371) 23.785 12.478 ( 0.029 0.026 11.207) 11.207 12.810 ( 0.173 -0.113 0.952) 0.974 13.336 ( 0.701 -0.333 56.603) 56.608 14.339 ( -13.740 -0.147 0.766) 13.762 14.344 ( 13.696 0.104 -0.885) 13.725 14.566 ( -8.356 -0.117 -12.554) 15.081 15.545 ( 1.739 0.736 -4.215) 4.619 16.247 ( 0.249 -0.194 -17.864) 17.867 ======================= Grid point 331 (104/155) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -4.863 5.181 11.180) 13.247 1.906 ( -2.804 0.631 3.625) 4.626 1.994 ( -1.959 -0.937 3.789) 4.367 2.115 ( -2.994 -1.131 -2.281) 3.930 2.453 ( -2.956 -3.127 -3.420) 5.497 2.516 ( 1.501 -0.517 -3.551) 3.890 2.663 ( 0.832 0.617 6.958) 7.035 2.971 ( 5.683 -1.529 -3.910) 7.066 3.079 ( 1.014 0.312 -1.792) 2.083 3.117 ( 5.596 -0.875 -4.158) 7.026 3.293 ( -1.555 0.006 1.381) 2.080 3.382 ( 1.729 -1.636 -2.972) 3.808 3.410 ( -1.077 0.416 -6.452) 6.555 3.514 ( 1.576 -1.346 -9.491) 9.715 4.833 ( -2.330 3.894 5.339) 7.007 4.883 ( 1.291 0.785 0.730) 1.678 5.329 ( -1.446 -1.499 5.141) 5.547 5.420 ( -2.625 -0.529 0.766) 2.785 8.826 ( -8.893 -0.354 31.575) 32.805 9.126 ( 7.161 0.749 34.878) 35.614 9.940 ( -18.852 -0.578 -3.860) 19.251 10.874 ( 17.464 3.536 -23.610) 29.579 12.272 ( -21.617 0.028 11.197) 24.345 12.716 ( -11.503 0.211 -1.150) 11.562 13.269 ( -7.419 0.368 47.521) 48.098 14.140 ( -9.785 -0.199 -7.507) 12.335 14.494 ( -2.448 -8.467 1.497) 8.940 14.630 ( 18.233 0.114 6.936) 19.508 15.652 ( 10.279 1.722 -6.384) 12.223 16.304 ( 5.957 0.116 -18.290) 19.236 ======================= Grid point 332 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -8.334 8.209 10.479) 15.705 1.752 ( -11.240 2.541 7.091) 13.530 2.014 ( -0.690 -4.071 -1.401) 4.361 2.076 ( -2.502 -0.409 -3.067) 3.979 2.399 ( -3.781 -2.066 -0.445) 4.331 2.572 ( 2.081 -1.975 3.469) 4.502 2.693 ( 3.404 1.463 -0.542) 3.744 3.095 ( 1.226 -0.014 -1.758) 2.143 3.135 ( 9.217 -3.014 -0.997) 9.748 3.192 ( 0.215 -0.602 -0.510) 0.817 3.306 ( 1.982 -2.054 2.822) 4.014 3.394 ( 2.090 0.654 -5.078) 5.530 3.445 ( 2.044 -3.454 -3.543) 5.354 3.600 ( 7.617 -1.417 -9.973) 12.629 4.683 ( -8.698 7.813 8.689) 14.568 4.887 ( 0.249 1.542 -1.844) 2.417 5.320 ( -2.795 -1.568 0.351) 3.224 5.381 ( -1.730 -2.441 0.689) 3.070 8.672 ( -8.802 -0.334 30.562) 31.806 9.231 ( 5.594 1.015 35.999) 36.445 9.590 ( -20.375 -0.121 -0.952) 20.397 11.130 ( 15.171 5.678 -25.438) 30.158 11.807 ( -28.902 -0.005 10.205) 30.651 12.385 ( -25.137 0.538 -5.431) 25.722 13.132 ( -6.639 0.049 29.970) 30.697 13.981 ( -8.764 -0.197 -11.067) 14.118 14.637 ( 7.063 -16.110 21.953) 28.131 14.947 ( 17.221 0.187 10.964) 20.416 15.833 ( 11.147 1.936 -7.794) 13.739 16.439 ( 9.264 0.459 -18.501) 20.696 ======================= Grid point 333 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -7.250 8.765 11.385) 16.094 1.504 ( -15.303 0.321 11.142) 18.933 1.985 ( -3.307 0.375 -4.895) 5.920 2.050 ( -2.185 -2.059 -6.873) 7.500 2.374 ( 0.001 -0.088 2.417) 2.418 2.600 ( -0.995 -1.807 11.318) 11.504 2.755 ( 5.061 1.853 -5.644) 7.804 3.104 ( 0.371 0.963 -1.012) 1.445 3.160 ( -1.731 0.156 0.271) 1.759 3.311 ( 0.013 -0.390 -2.401) 2.432 3.348 ( 7.025 -5.033 1.206) 8.726 3.491 ( 6.223 -3.951 1.905) 7.613 3.524 ( 4.416 -3.305 -3.835) 6.718 3.791 ( 12.068 0.133 -6.253) 13.592 4.431 ( -12.016 7.704 10.423) 17.674 4.858 ( -2.324 1.729 -5.969) 6.635 5.259 ( -4.118 -1.430 -0.676) 4.412 5.398 ( 0.332 -2.632 -1.635) 3.117 8.530 ( -7.510 -0.297 29.558) 30.498 9.254 ( -17.225 0.086 2.161) 17.361 9.306 ( 3.913 1.166 36.697) 36.923 11.240 ( -9.540 3.213 -7.059) 12.295 11.386 ( -5.082 3.537 -11.126) 12.732 11.894 ( -28.169 0.294 -9.256) 29.652 13.043 ( -3.837 -0.116 19.006) 19.390 13.838 ( -7.369 -0.100 -11.970) 14.057 14.971 ( 12.055 -21.683 30.104) 39.009 15.213 ( 12.956 -0.577 13.376) 18.631 15.991 ( 8.238 1.857 -8.250) 11.805 16.601 ( 9.269 0.962 -18.027) 20.293 ======================= Grid point 334 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -4.294 8.144 13.373) 16.235 1.241 ( -13.484 -1.110 15.014) 20.211 1.933 ( -1.262 1.875 -6.105) 6.510 2.020 ( -2.578 -1.625 -9.885) 10.344 2.392 ( 2.180 1.073 4.647) 5.244 2.567 ( -3.296 -0.226 12.718) 13.140 2.828 ( 4.269 1.258 -6.486) 7.866 3.094 ( -0.440 1.071 -1.599) 1.974 3.133 ( -0.836 0.883 0.563) 1.340 3.302 ( -0.788 -0.580 -3.073) 3.225 3.472 ( 2.488 -5.461 1.588) 6.207 3.625 ( 3.329 -6.477 -2.495) 7.698 3.691 ( 11.431 -0.736 5.623) 12.760 3.966 ( 8.229 3.091 -2.165) 9.053 4.163 ( -11.974 4.825 10.691) 16.761 4.785 ( -4.055 0.648 -9.709) 10.542 5.220 ( -1.715 -1.748 -0.527) 2.505 5.421 ( 0.242 -1.532 -3.460) 3.792 8.423 ( -4.606 -0.214 28.819) 29.186 9.007 ( -10.118 0.050 4.151) 10.936 9.351 ( 2.211 1.099 36.750) 36.833 10.932 ( -14.177 0.152 7.647) 16.109 11.420 ( 2.677 5.283 -25.701) 26.375 11.470 ( -16.056 1.162 -12.779) 20.554 12.994 ( -1.863 -0.015 12.926) 13.059 13.734 ( -4.321 -0.001 -11.995) 12.750 15.300 ( 6.690 -8.527 19.482) 22.294 15.467 ( 10.472 -17.373 22.562) 30.340 16.087 ( 4.279 1.612 -8.486) 9.640 16.728 ( 5.917 1.912 -16.636) 17.761 ======================= Grid point 335 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 6.219 15.432) 16.638 1.118 ( -0.000 -1.207 17.242) 17.284 1.909 ( 0.000 1.543 -6.332) 6.517 2.004 ( -0.000 -1.020 -11.470) 11.516 2.411 ( 0.000 1.290 6.554) 6.680 2.525 ( 0.000 0.038 11.922) 11.922 2.863 ( 0.000 0.733 -6.318) 6.361 3.079 ( 0.000 0.925 -2.780) 2.930 3.117 ( 0.000 1.198 0.734) 1.405 3.298 ( -0.000 -0.278 -3.988) 3.998 3.545 ( -0.000 -6.783 3.870) 7.810 3.701 ( -0.000 -3.014 -1.989) 3.611 3.829 ( 0.000 1.208 5.669) 5.796 3.995 ( -0.000 -0.574 11.726) 11.740 4.008 ( 0.000 5.438 -0.395) 5.453 4.741 ( -0.000 -0.098 -10.672) 10.673 5.220 ( -0.000 -1.472 -0.789) 1.670 5.432 ( -0.000 -0.810 -3.995) 4.076 8.382 ( -0.000 -0.133 28.550) 28.550 8.916 ( 0.000 0.009 4.777) 4.777 9.363 ( 0.000 0.812 36.343) 36.352 10.803 ( 0.000 0.058 7.734) 7.734 11.293 ( 0.000 0.013 -10.790) 10.790 11.426 ( 0.000 4.881 -28.363) 28.780 12.977 ( 0.000 0.030 10.827) 10.827 13.695 ( 0.000 0.024 -11.940) 11.940 15.381 ( -0.000 -0.768 14.539) 14.559 15.753 ( -0.000 -22.149 20.340) 30.071 16.114 ( 0.000 1.090 -8.667) 8.735 16.761 ( 0.000 3.023 -14.456) 14.769 ======================= Grid point 338 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 10.167 -0.000 14.204) 17.468 1.847 ( 8.242 -0.000 4.362) 9.326 2.104 ( 2.552 -0.000 -0.809) 2.678 2.108 ( -2.657 0.000 1.790) 3.204 2.549 ( -4.422 0.000 -6.511) 7.871 2.561 ( 3.435 -0.000 -4.518) 5.676 2.651 ( -2.178 0.000 8.009) 8.300 3.064 ( -5.360 0.000 0.104) 5.361 3.086 ( -4.443 0.000 -5.247) 6.875 3.139 ( -3.364 0.000 -0.797) 3.457 3.277 ( -0.909 0.000 1.586) 1.828 3.363 ( -0.815 0.000 -1.772) 1.951 3.507 ( -3.543 0.000 -4.749) 5.925 3.547 ( -3.668 0.000 -9.162) 9.869 4.631 ( 9.890 -0.000 6.817) 12.012 4.839 ( 0.419 -0.000 -2.884) 2.914 5.409 ( 2.403 -0.000 1.228) 2.699 5.438 ( -1.407 0.000 4.321) 4.544 8.840 ( 9.062 -0.000 31.038) 32.334 9.103 ( -6.660 0.000 34.492) 35.129 9.962 ( 19.703 -0.000 -3.958) 20.097 10.757 ( -12.890 0.000 -21.771) 25.301 12.272 ( 21.583 -0.000 11.088) 24.265 12.703 ( 12.295 -0.000 -0.295) 12.299 13.250 ( 6.860 -0.000 44.468) 44.994 14.147 ( 9.706 -0.000 -7.742) 12.416 14.621 ( -17.839 0.000 8.279) 19.666 14.801 ( -13.801 0.000 -3.810) 14.318 15.613 ( -8.146 0.000 -4.611) 9.361 16.287 ( -5.232 0.000 -16.901) 17.692 ======================= Grid point 339 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 8.200 -1.348 11.761) 14.401 1.955 ( 3.234 -0.062 3.856) 5.033 2.033 ( -4.810 1.076 3.950) 6.316 2.154 ( 1.652 -0.081 -2.390) 2.907 2.463 ( -4.351 0.824 -3.806) 5.839 2.524 ( -4.565 -1.214 -4.909) 6.813 2.664 ( 1.525 0.186 9.226) 9.353 2.950 ( -3.347 0.718 -4.572) 5.712 3.074 ( 0.200 0.461 -4.415) 4.443 3.083 ( -1.389 0.259 -2.519) 2.888 3.299 ( 2.047 -0.366 -3.308) 3.907 3.339 ( -2.119 -0.425 0.576) 2.236 3.464 ( -1.179 1.150 -5.312) 5.561 3.493 ( -2.396 -0.803 -9.504) 9.834 4.794 ( 7.601 -1.055 4.877) 9.092 4.855 ( 1.222 -0.211 -0.066) 1.242 5.390 ( -3.281 1.208 6.205) 7.122 5.434 ( -0.155 -0.531 1.543) 1.639 8.962 ( -4.567 -0.093 30.459) 30.800 9.007 ( 5.060 0.158 35.642) 35.999 10.159 ( -2.853 -0.077 -3.816) 4.765 10.659 ( 7.089 0.200 -23.478) 24.526 12.478 ( 0.046 0.016 11.202) 11.202 12.808 ( 0.287 -0.071 1.055) 1.096 13.331 ( 1.066 -0.204 56.494) 56.505 14.338 ( -13.761 -0.063 0.262) 13.763 14.345 ( 13.694 0.037 -0.394) 13.700 14.564 ( -13.328 -0.072 -12.100) 18.001 15.557 ( 2.631 0.456 -4.767) 5.464 16.244 ( 0.439 -0.124 -17.723) 17.729 ======================= Grid point 340 (111/155) ======================= q-point: (-0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.690 1.479 9.532) 9.671 1.920 ( -2.517 1.658 2.927) 4.201 1.992 ( -2.807 -0.220 6.134) 6.750 2.095 ( -6.391 -0.913 -4.224) 7.715 2.409 ( -3.594 -2.050 -1.696) 4.472 2.509 ( 2.277 -0.346 -4.116) 4.717 2.676 ( 1.310 0.817 7.392) 7.552 2.953 ( 3.601 -0.647 -5.273) 6.417 3.083 ( 1.109 0.219 -2.317) 2.578 3.107 ( 3.894 -0.498 -3.721) 5.409 3.288 ( -3.109 -0.534 3.159) 4.464 3.354 ( 2.873 -1.033 -5.398) 6.201 3.432 ( -1.107 1.497 -7.508) 7.736 3.490 ( 0.993 -1.513 -8.297) 8.492 4.874 ( 1.070 1.233 2.949) 3.371 4.892 ( 2.365 0.414 2.987) 3.832 5.317 ( -3.621 -0.116 5.837) 6.870 5.412 ( -2.913 -0.470 0.720) 3.038 8.822 ( -8.836 -0.197 31.742) 32.950 9.137 ( 7.351 0.502 35.060) 35.826 9.932 ( -18.475 -0.336 -3.789) 18.863 10.923 ( 19.261 2.322 -24.588) 31.321 12.272 ( -21.630 0.033 11.236) 24.374 12.718 ( -11.183 0.059 -1.313) 11.260 13.272 ( -7.251 0.104 49.069) 49.602 14.137 ( -9.809 -0.126 -7.447) 12.316 14.379 ( -8.108 -5.116 2.883) 10.011 14.631 ( 18.236 0.048 6.423) 19.334 15.677 ( 10.569 1.241 -7.273) 12.890 16.304 ( 6.098 -0.035 -18.479) 19.459 ======================= Grid point 341 (112/155) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -6.796 7.108 7.979) 12.665 1.789 ( -13.577 1.864 4.946) 14.570 1.955 ( 0.622 -2.871 -1.732) 3.410 2.057 ( -1.594 -1.848 -0.213) 2.450 2.371 ( -1.677 -1.255 1.071) 2.352 2.546 ( 0.961 -1.180 2.304) 2.761 2.719 ( 4.409 1.707 -1.544) 4.974 3.065 ( 5.620 -2.554 -2.785) 6.772 3.116 ( 3.614 -0.324 -1.188) 3.818 3.174 ( 0.342 -1.185 -0.120) 1.239 3.264 ( 0.521 -2.824 3.837) 4.792 3.407 ( 0.970 0.141 -3.006) 3.162 3.417 ( 2.058 0.422 -7.997) 8.269 3.575 ( 8.215 -1.546 -10.352) 13.305 4.796 ( -7.654 5.714 8.370) 12.700 4.907 ( 0.625 0.816 0.229) 1.053 5.291 ( -1.043 -1.819 0.933) 2.295 5.348 ( -4.312 -1.504 -0.271) 4.575 8.668 ( -8.775 -0.246 30.795) 32.022 9.247 ( 5.832 0.887 36.566) 37.039 9.588 ( -20.037 -0.067 -0.937) 20.059 11.220 ( 16.849 4.931 -27.243) 32.410 11.808 ( -28.832 0.033 10.208) 30.586 12.392 ( -25.205 0.352 -5.956) 25.901 13.133 ( -6.984 0.036 30.772) 31.554 13.978 ( -8.718 -0.167 -11.106) 14.120 14.397 ( 1.548 -12.601 27.223) 30.038 14.950 ( 17.240 0.084 10.148) 20.005 15.864 ( 11.161 1.672 -8.359) 14.044 16.444 ( 9.322 0.103 -19.351) 21.480 ======================= Grid point 342 (113/155) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -6.204 9.433 7.801) 13.723 1.504 ( -17.446 -0.372 8.928) 19.602 1.977 ( -0.451 -1.391 -4.165) 4.415 2.031 ( -2.218 -0.182 -4.852) 5.338 2.377 ( 1.700 0.363 3.163) 3.609 2.570 ( 0.072 -1.882 9.077) 9.270 2.787 ( 4.914 2.067 -5.483) 7.648 3.115 ( 0.845 0.172 -1.125) 1.417 3.134 ( -3.346 -3.161 3.121) 5.561 3.272 ( 4.594 -3.808 -0.641) 6.001 3.307 ( 4.018 -0.389 -1.590) 4.339 3.432 ( 1.366 -2.200 -1.748) 3.124 3.491 ( 6.718 -1.525 -3.918) 7.925 3.789 ( 13.861 -0.282 -7.395) 15.713 4.549 ( -13.755 6.377 10.574) 18.485 4.886 ( -2.309 1.711 -3.171) 4.280 5.236 ( -4.876 -1.312 -1.529) 5.276 5.351 ( 0.974 -2.980 -2.008) 3.723 8.525 ( -7.478 -0.279 29.756) 30.682 9.255 ( -17.195 0.108 2.101) 17.324 9.326 ( 4.137 1.243 37.724) 37.971 11.276 ( -20.187 1.212 3.189) 20.474 11.469 ( 6.902 6.163 -23.476) 25.234 11.898 ( -28.401 0.197 -9.609) 29.983 13.041 ( -3.809 -0.112 19.199) 19.573 13.837 ( -7.268 -0.107 -12.016) 14.044 14.612 ( 6.733 -20.751 40.003) 45.565 15.213 ( 12.588 0.125 12.010) 17.398 16.022 ( 8.263 1.903 -8.470) 11.985 16.610 ( 9.230 0.197 -20.020) 22.047 ======================= Grid point 343 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -13.261 -0.352 13.404) 18.859 1.240 ( -4.750 9.262 9.709) 14.234 1.967 ( -0.337 1.621 -5.277) 5.531 1.993 ( -2.204 -0.946 -9.211) 9.518 2.414 ( 3.097 1.531 4.631) 5.778 2.563 ( -2.063 -0.308 11.494) 11.682 2.852 ( 3.838 1.584 -6.283) 7.531 3.106 ( -1.263 -1.055 1.139) 2.001 3.124 ( -0.620 -1.323 1.470) 2.073 3.287 ( -0.759 -1.017 -1.890) 2.276 3.407 ( 2.093 -2.218 -3.992) 5.024 3.510 ( 3.222 -6.344 -2.154) 7.434 3.684 ( 13.367 -0.782 4.244) 14.047 4.010 ( 10.649 2.308 -2.912) 11.279 4.241 ( -15.384 4.488 10.370) 19.087 4.799 ( -5.307 1.080 -8.243) 9.862 5.188 ( -1.976 -2.031 -0.847) 2.957 5.390 ( 0.779 -2.194 -3.790) 4.448 8.419 ( -4.557 -0.258 28.918) 29.276 9.008 ( -10.183 0.067 4.112) 10.982 9.372 ( 2.305 1.435 38.089) 38.186 10.934 ( -14.351 0.140 7.803) 16.336 11.460 ( -16.970 0.436 -11.730) 20.634 11.556 ( 4.442 8.119 -28.710) 30.165 12.994 ( -1.758 -0.018 13.000) 13.118 13.734 ( -4.249 -0.004 -11.990) 12.721 14.934 ( 6.352 -27.392 41.462) 50.098 15.383 ( 6.664 -0.325 13.296) 14.876 16.117 ( 4.275 1.993 -8.459) 9.686 16.745 ( 5.904 0.336 -19.967) 20.824 ======================= Grid point 344 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 -1.873 16.782) 16.886 1.120 ( 0.000 10.068 11.348) 15.171 1.944 ( 0.000 2.729 -5.611) 6.239 1.982 ( -0.000 -1.566 -11.348) 11.456 2.439 ( 0.000 1.947 6.084) 6.388 2.528 ( 0.000 0.428 11.293) 11.301 2.879 ( 0.000 1.190 -6.245) 6.358 3.096 ( 0.000 0.735 -1.309) 1.501 3.126 ( -0.000 -0.659 1.899) 2.010 3.287 ( -0.000 -0.960 -2.222) 2.420 3.448 ( -0.000 -4.460 -0.782) 4.528 3.599 ( -0.000 -7.321 -2.841) 7.853 3.891 ( 0.000 4.507 5.234) 6.907 3.983 ( -0.000 -0.964 12.135) 12.173 4.090 ( 0.000 4.586 -0.973) 4.688 4.739 ( -0.000 -0.150 -10.728) 10.730 5.190 ( -0.000 -2.095 -0.665) 2.198 5.412 ( -0.000 -1.629 -4.253) 4.554 8.379 ( -0.000 -0.216 28.587) 28.588 8.916 ( 0.000 0.014 4.760) 4.760 9.381 ( 0.000 1.377 37.650) 37.675 10.805 ( 0.000 0.093 7.737) 7.738 11.294 ( 0.000 0.021 -10.758) 10.758 11.536 ( 0.000 8.252 -29.556) 30.686 12.978 ( 0.000 0.048 10.881) 10.882 13.695 ( 0.000 0.039 -11.912) 11.912 15.223 ( -0.000 -25.685 33.575) 42.273 15.459 ( -0.000 -4.771 16.184) 16.873 16.139 ( 0.000 1.882 -8.520) 8.726 16.795 ( 0.000 0.964 -18.785) 18.810 ======================= Grid point 349 (116/155) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 3.261 -0.000 8.528) 9.130 1.945 ( -4.167 0.000 2.502) 4.861 1.981 ( -0.753 0.000 7.290) 7.329 2.089 ( -8.951 0.000 -4.841) 10.176 2.391 ( -3.491 0.000 -0.920) 3.610 2.506 ( 2.548 -0.000 -4.339) 5.032 2.684 ( 1.549 -0.000 7.525) 7.683 2.948 ( 2.778 -0.000 -5.764) 6.398 3.087 ( 1.038 -0.000 -3.076) 3.247 3.101 ( 2.917 -0.000 -2.822) 4.059 3.282 ( -3.842 0.000 3.860) 5.446 3.347 ( 3.728 -0.000 -6.453) 7.453 3.449 ( -1.580 0.000 -10.468) 10.587 3.472 ( 1.231 -0.000 -5.240) 5.383 4.882 ( 1.824 -0.000 1.293) 2.235 4.895 ( 3.465 -0.000 4.477) 5.661 5.318 ( -4.725 0.000 6.108) 7.722 5.407 ( -2.902 0.000 0.755) 2.998 8.820 ( -8.815 0.000 31.802) 33.001 9.141 ( 7.423 -0.000 35.134) 35.910 9.929 ( -18.327 0.000 -3.757) 18.708 10.943 ( 19.967 -0.000 -25.011) 32.004 12.273 ( -21.635 0.000 11.251) 24.385 12.718 ( -11.061 0.000 -1.353) 11.143 13.273 ( -7.123 0.000 49.744) 50.251 14.136 ( -9.815 0.000 -7.437) 12.314 14.337 ( -10.255 0.000 3.327) 10.781 14.632 ( 18.227 -0.000 6.215) 19.257 15.688 ( 10.611 -0.000 -7.626) 13.067 16.304 ( 6.155 -0.000 -18.516) 19.512 ======================= Grid point 350 (117/155) ======================= q-point: (-0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -5.035 2.889 6.288) 8.558 1.809 ( -16.192 0.502 2.895) 16.457 1.929 ( 1.381 -0.371 -2.379) 2.775 2.025 ( -0.229 -1.538 3.168) 3.529 2.358 ( -0.430 -0.428 2.020) 2.109 2.533 ( 0.160 -0.411 0.695) 0.824 2.742 ( 4.926 0.854 -1.824) 5.322 3.035 ( 5.734 -0.959 -3.333) 6.701 3.108 ( 0.805 -0.435 -0.599) 1.094 3.163 ( 2.767 -0.196 -1.757) 3.284 3.226 ( -1.263 -1.479 5.227) 5.577 3.407 ( 1.757 0.084 -2.464) 3.028 3.433 ( 0.401 0.748 -9.885) 9.921 3.554 ( 9.112 -0.801 -9.865) 13.453 4.862 ( -7.042 2.255 8.085) 10.957 4.913 ( 1.205 0.045 1.283) 1.760 5.268 ( -0.475 -0.803 1.341) 1.634 5.332 ( -5.711 -0.488 -0.768) 5.784 8.665 ( -8.764 -0.088 30.929) 32.147 9.258 ( 5.978 0.353 36.918) 37.400 9.588 ( -19.838 -0.019 -0.928) 19.859 11.278 ( 17.979 1.982 -28.605) 33.844 11.808 ( -28.745 0.024 10.179) 30.494 12.396 ( -25.240 0.112 -6.273) 26.008 13.133 ( -7.171 0.008 31.436) 32.244 13.976 ( -8.691 -0.064 -11.144) 14.133 14.251 ( -1.696 -4.745 30.204) 30.622 14.950 ( 17.213 0.003 9.596) 19.708 15.884 ( 11.112 0.655 -8.691) 14.122 16.444 ( 9.337 0.005 -19.687) 21.789 ======================= Grid point 351 (118/155) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -18.841 -0.575 7.088) 20.138 1.545 ( -5.027 6.764 4.911) 9.754 1.954 ( 0.261 -1.084 -6.244) 6.342 2.030 ( -0.417 -0.225 0.553) 0.728 2.383 ( 2.970 0.301 3.996) 4.988 2.541 ( 0.157 -1.495 6.155) 6.336 2.818 ( 4.643 1.558 -5.748) 7.551 3.079 ( -4.652 -2.831 4.374) 6.985 3.110 ( 1.512 -0.647 -0.570) 1.740 3.227 ( 3.575 -1.694 -3.145) 5.054 3.299 ( 6.591 -0.666 0.516) 6.645 3.415 ( -0.005 -0.265 -2.918) 2.930 3.474 ( 5.461 -0.575 -5.545) 7.803 3.784 ( 15.198 -0.248 -7.700) 17.039 4.630 ( -15.353 3.512 10.859) 19.130 4.910 ( -1.825 1.104 -1.166) 2.430 5.219 ( -5.819 -0.642 -2.188) 6.250 5.308 ( 1.755 -2.169 -2.454) 3.716 8.521 ( -7.461 -0.163 29.902) 30.819 9.257 ( -17.178 0.076 2.071) 17.303 9.343 ( 4.306 0.803 38.512) 38.760 11.287 ( -23.362 0.350 6.356) 24.214 11.563 ( 11.447 4.707 -29.145) 31.665 11.900 ( -28.677 0.014 -9.878) 30.331 13.039 ( -3.789 -0.069 19.419) 19.785 13.835 ( -7.183 -0.070 -12.053) 14.032 14.335 ( 2.755 -12.391 46.847) 48.536 15.214 ( 12.517 -0.025 11.129) 16.749 16.048 ( 8.239 1.188 -8.626) 11.987 16.611 ( 9.103 -0.008 -21.007) 22.894 ======================= Grid point 352 (119/155) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -14.879 -1.352 12.808) 19.678 1.406 ( -2.901 9.609 5.401) 11.398 1.956 ( -0.914 -1.390 -9.733) 9.875 2.015 ( -0.318 1.919 -2.337) 3.041 2.439 ( 3.736 1.427 4.711) 6.179 2.553 ( -0.616 -1.012 9.837) 9.908 2.877 ( 3.281 1.381 -6.241) 7.184 3.034 ( -3.473 -5.329 6.317) 8.965 3.125 ( 0.252 0.169 -0.559) 0.637 3.268 ( 0.153 -1.457 -3.656) 3.939 3.393 ( 2.266 0.122 -6.705) 7.079 3.435 ( 1.913 -2.746 -3.957) 5.183 3.667 ( 14.836 -1.133 5.079) 15.722 4.041 ( 13.070 1.521 -3.401) 13.590 4.302 ( -18.200 2.907 10.776) 21.350 4.818 ( -6.680 1.137 -6.865) 9.646 5.158 ( -2.050 -1.578 -1.328) 2.909 5.354 ( 1.283 -2.031 -4.144) 4.790 8.415 ( -4.519 -0.203 29.009) 29.359 9.009 ( -10.258 0.058 4.077) 11.039 9.395 ( 2.395 1.214 39.352) 39.444 10.936 ( -14.434 0.093 7.890) 16.450 11.464 ( -18.386 0.138 -10.906) 21.377 11.689 ( 6.737 7.542 -32.548) 34.083 12.993 ( -1.654 -0.015 13.084) 13.188 13.734 ( -4.174 -0.005 -11.985) 12.691 14.530 ( 3.295 -20.920 52.363) 56.483 15.382 ( 6.483 -0.047 12.055) 13.688 16.147 ( 4.271 1.613 -8.443) 9.599 16.745 ( 5.682 -0.149 -21.869) 22.595 ======================= Grid point 353 (120/155) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 -1.784 16.163) 16.261 1.295 ( 0.000 10.918 7.078) 13.012 1.957 ( -0.000 -1.489 -11.283) 11.381 1.992 ( 0.000 2.896 -3.978) 4.920 2.470 ( 0.000 1.805 5.609) 5.892 2.537 ( 0.000 0.450 10.415) 10.425 2.899 ( 0.000 1.206 -6.212) 6.328 3.052 ( -0.000 -6.041 6.222) 8.672 3.123 ( 0.000 0.559 -0.659) 0.864 3.275 ( -0.000 -0.597 -3.211) 3.266 3.408 ( -0.000 -0.832 -5.883) 5.942 3.494 ( -0.000 -5.166 -4.914) 7.130 3.956 ( 0.000 3.278 5.720) 6.592 3.966 ( -0.000 -1.012 12.690) 12.730 4.157 ( 0.000 3.508 -0.597) 3.559 4.737 ( -0.000 -0.139 -10.803) 10.804 5.157 ( -0.000 -1.835 -0.788) 1.997 5.382 ( -0.000 -1.966 -4.561) 4.966 8.376 ( -0.000 -0.216 28.635) 28.635 8.916 ( 0.000 0.015 4.740) 4.740 9.405 ( 0.000 1.445 39.162) 39.189 10.806 ( 0.000 0.093 7.742) 7.743 11.294 ( 0.000 0.022 -10.718) 10.718 11.680 ( 0.000 9.022 -31.984) 33.232 12.979 ( 0.000 0.048 10.949) 10.949 13.696 ( 0.000 0.039 -11.878) 11.878 14.762 ( -0.000 -26.984 49.668) 56.524 15.440 ( -0.000 -0.106 12.753) 12.753 16.171 ( 0.000 1.893 -8.419) 8.629 16.799 ( -0.000 -0.181 -21.580) 21.581 ======================= Grid point 360 (121/155) ======================= q-point: (-0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -19.216 0.000 6.425) 20.262 1.604 ( -4.466 0.000 3.543) 5.701 1.946 ( 0.167 -0.000 -7.317) 7.319 2.026 ( 0.631 -0.000 3.478) 3.535 2.386 ( 3.452 -0.000 4.422) 5.610 2.528 ( -0.100 0.000 4.570) 4.571 2.832 ( 4.475 -0.000 -6.023) 7.504 3.054 ( -5.249 0.000 4.963) 7.223 3.103 ( 2.168 -0.000 -0.692) 2.276 3.214 ( 2.303 -0.000 -4.334) 4.908 3.292 ( 8.351 -0.000 1.909) 8.566 3.414 ( -0.306 0.000 -3.033) 3.048 3.470 ( 4.605 -0.000 -6.436) 7.914 3.782 ( 15.709 -0.000 -7.705) 17.497 4.659 ( -16.017 0.000 11.009) 19.436 4.919 ( -1.517 0.000 -0.455) 1.583 5.214 ( -6.480 0.000 -2.385) 6.904 5.289 ( 2.333 -0.000 -2.714) 3.579 8.520 ( -7.456 0.000 29.955) 30.869 9.257 ( -17.172 0.000 2.063) 17.296 9.350 ( 4.368 -0.000 38.805) 39.050 11.290 ( -23.947 0.000 6.961) 24.939 11.604 ( 12.740 -0.000 -31.036) 33.549 11.900 ( -28.888 0.000 -9.934) 30.548 13.039 ( -3.781 0.000 19.530) 19.892 13.835 ( -7.151 0.000 -12.068) 14.027 14.232 ( 1.285 -0.000 49.446) 49.463 15.214 ( 12.479 -0.000 10.761) 16.478 16.058 ( 8.223 -0.000 -8.683) 11.959 16.611 ( 9.061 -0.000 -21.275) 23.124 ======================= Grid point 362 (122/155) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -15.028 -0.540 12.161) 19.339 1.527 ( -2.356 4.307 2.625) 5.567 1.940 ( -0.770 -0.531 -10.178) 10.221 2.035 ( 0.432 0.503 0.899) 1.117 2.457 ( 4.132 0.628 5.017) 6.530 2.534 ( 0.210 -0.905 7.948) 8.003 2.894 ( 2.806 0.621 -6.379) 6.997 2.969 ( -4.625 -2.174 6.620) 8.363 3.125 ( 0.478 -0.134 0.214) 0.541 3.245 ( 0.807 -0.950 -5.677) 5.813 3.400 ( 2.637 0.480 -6.935) 7.435 3.411 ( 0.604 -0.648 -5.052) 5.129 3.653 ( 15.668 -0.514 5.974) 16.777 4.058 ( 14.553 0.534 -3.662) 15.016 4.334 ( -19.754 0.987 11.295) 22.777 4.832 ( -7.633 0.507 -6.056) 9.757 5.140 ( -2.003 -0.593 -1.693) 2.689 5.330 ( 1.613 -0.846 -4.395) 4.757 8.413 ( -4.500 -0.077 29.062) 29.408 9.010 ( -10.308 0.023 4.058) 11.078 9.409 ( 2.448 0.475 40.101) 40.178 10.937 ( -14.460 0.032 7.925) 16.490 11.465 ( -18.667 0.043 -10.792) 21.562 11.781 ( 7.666 3.164 -35.505) 36.460 12.993 ( -1.591 -0.006 13.147) 13.243 13.734 ( -4.125 -0.003 -11.982) 12.672 14.289 ( 1.505 -7.843 58.654) 59.196 15.381 ( 6.426 -0.076 11.312) 13.010 16.166 ( 4.266 0.617 -8.438) 9.475 16.743 ( 5.560 -0.071 -22.622) 23.295 ======================= Grid point 363 (123/155) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.000 -1.062 15.618) 15.654 1.455 ( 0.000 7.922 3.499) 8.661 1.937 ( -0.000 -0.890 -11.269) 11.304 2.030 ( 0.000 1.582 -1.251) 2.017 2.494 ( 0.000 1.055 5.279) 5.383 2.538 ( -0.000 -0.298 9.395) 9.400 2.916 ( 0.000 0.758 -6.238) 6.284 2.954 ( -0.000 -4.909 7.222) 8.732 3.128 ( 0.000 0.045 0.042) 0.062 3.260 ( -0.000 -1.177 -5.302) 5.432 3.405 ( 0.000 0.127 -6.427) 6.429 3.440 ( -0.000 -1.590 -7.643) 7.807 3.952 ( -0.000 -0.652 13.184) 13.200 3.996 ( 0.000 1.634 6.888) 7.079 4.202 ( 0.000 1.994 0.025) 1.995 4.735 ( -0.000 -0.081 -10.868) 10.868 5.133 ( -0.000 -1.025 -1.076) 1.486 5.353 ( -0.000 -1.379 -4.823) 5.016 8.373 ( -0.000 -0.133 28.673) 28.673 8.916 ( 0.000 0.009 4.723) 4.723 9.425 ( 0.000 0.923 40.317) 40.327 10.808 ( 0.000 0.058 7.746) 7.746 11.294 ( 0.000 0.014 -10.685) 10.685 11.810 ( 0.000 6.242 -35.364) 35.911 12.979 ( 0.000 0.029 11.003) 11.003 13.696 ( 0.000 0.024 -11.851) 11.851 14.403 ( -0.000 -16.013 59.130) 61.260 15.438 ( -0.000 -0.130 11.739) 11.740 16.196 ( 0.000 1.170 -8.356) 8.437 16.795 ( -0.000 -0.210 -22.935) 22.936 ======================= Grid point 373 (124/155) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 0.000 15.398) 15.398 1.525 ( 0.000 0.000 1.787) 1.787 1.929 ( 0.000 0.000 -11.269) 11.269 2.042 ( 0.000 0.000 0.598) 0.598 2.503 ( 0.000 0.000 5.163) 5.163 2.533 ( 0.000 0.000 8.753) 8.753 2.912 ( 0.000 0.000 6.999) 6.999 2.922 ( 0.000 0.000 -6.262) 6.262 3.128 ( 0.000 0.000 0.664) 0.664 3.248 ( 0.000 0.000 -6.581) 6.581 3.407 ( 0.000 0.000 -5.957) 5.957 3.430 ( 0.000 0.000 -8.821) 8.821 3.946 ( 0.000 0.000 13.384) 13.384 4.009 ( 0.000 0.000 7.458) 7.458 4.219 ( 0.000 0.000 0.299) 0.299 4.734 ( 0.000 0.000 -10.894) 10.894 5.125 ( 0.000 0.000 -1.225) 1.225 5.341 ( 0.000 0.000 -4.929) 4.929 8.372 ( 0.000 0.000 28.688) 28.688 8.917 ( 0.000 0.000 4.716) 4.716 9.433 ( 0.000 0.000 40.744) 40.744 10.808 ( 0.000 0.000 7.747) 7.747 11.294 ( 0.000 0.000 -10.673) 10.673 11.864 ( 0.000 0.000 -37.237) 37.237 12.980 ( 0.000 0.000 11.024) 11.024 13.697 ( 0.000 0.000 -11.840) 11.840 14.269 ( 0.000 0.000 62.805) 62.805 15.437 ( 0.000 0.000 11.318) 11.318 16.206 ( 0.000 0.000 -8.334) 8.334 16.793 ( 0.000 0.000 -23.301) 23.301 ======================= Grid point 420 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 0.000 17.746) 17.746 1.459 ( 0.000 0.000 15.897) 15.897 1.627 ( 0.000 0.000 -16.816) 16.816 1.757 ( 0.000 0.000 -14.063) 14.063 2.550 ( 0.000 0.000 8.072) 8.072 2.711 ( 0.000 0.000 -7.994) 7.994 2.795 ( 0.000 0.000 11.964) 11.964 2.975 ( 0.000 0.000 -6.462) 6.462 3.141 ( 0.000 0.000 2.479) 2.479 3.208 ( 0.000 0.000 -4.212) 4.212 3.689 ( 0.000 0.000 1.536) 1.536 3.702 ( 0.000 0.000 0.345) 0.345 3.911 ( 0.000 0.000 2.633) 2.633 3.947 ( 0.000 0.000 -0.599) 0.599 4.250 ( 0.000 0.000 13.187) 13.187 4.509 ( 0.000 0.000 -12.618) 12.618 5.256 ( 0.000 0.000 3.196) 3.196 5.345 ( 0.000 0.000 -5.172) 5.172 8.814 ( 0.000 0.000 14.317) 14.317 8.961 ( 0.000 0.000 -1.376) 1.376 10.079 ( 0.000 0.000 36.316) 36.316 10.774 ( 0.000 0.000 -33.260) 33.260 10.949 ( 0.000 0.000 7.162) 7.162 11.101 ( 0.000 0.000 -8.486) 8.486 13.203 ( 0.000 0.000 11.951) 11.951 13.448 ( 0.000 0.000 -12.600) 12.600 15.656 ( 0.000 0.000 13.381) 13.381 15.904 ( 0.000 0.000 -11.465) 11.465 16.220 ( 0.000 0.000 13.497) 13.497 16.484 ( 0.000 0.000 -12.903) 12.903 ======================= Grid point 421 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 3.774 -1.651 16.983) 17.476 1.553 ( 9.741 0.697 14.134) 17.180 1.653 ( 2.787 -1.034 -15.801) 16.078 1.820 ( 6.755 0.761 -12.293) 14.048 2.506 ( -3.981 -0.472 7.477) 8.483 2.663 ( -4.846 -0.469 -8.021) 9.383 2.840 ( 3.772 0.072 11.361) 11.971 3.005 ( 2.238 -0.466 -5.548) 6.001 3.147 ( 0.398 -0.414 2.364) 2.433 3.213 ( 0.453 -0.295 -4.359) 4.392 3.614 ( -5.302 3.727 1.906) 6.755 3.640 ( -5.905 1.279 -0.720) 6.084 3.835 ( -7.789 1.497 3.594) 8.708 3.890 ( -7.416 -1.173 -1.688) 7.695 4.328 ( 7.397 -1.721 11.649) 13.906 4.558 ( 4.790 -0.889 -11.433) 12.428 5.269 ( 1.863 0.678 3.230) 3.790 5.355 ( 1.352 0.620 -4.792) 5.018 8.869 ( 5.946 0.042 15.268) 16.385 9.036 ( 8.242 0.007 -2.376) 8.578 10.058 ( -2.841 -1.042 35.895) 36.023 10.738 ( -4.287 -1.730 -31.828) 32.162 11.103 ( 16.433 -0.050 7.020) 17.869 11.264 ( 17.997 -0.025 -9.141) 20.186 13.241 ( 4.220 -0.001 12.273) 12.979 13.487 ( 4.379 -0.002 -12.583) 13.323 15.605 ( -5.962 -0.137 13.400) 14.667 15.852 ( -6.523 0.375 -10.943) 12.745 16.110 ( -9.141 4.444 15.810) 18.795 16.417 ( -6.821 1.122 -14.718) 16.260 ======================= Grid point 422 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 6.930 -3.004 15.086) 16.871 1.695 ( 5.296 -1.059 -2.927) 6.143 1.787 ( 11.690 0.239 0.051) 11.693 1.946 ( 7.865 1.932 -8.112) 11.463 2.449 ( -2.432 -0.377 5.215) 5.766 2.576 ( -5.133 -0.758 -7.246) 8.912 2.885 ( 0.985 0.701 10.340) 10.410 3.034 ( 0.170 -0.625 -4.719) 4.763 3.159 ( 0.518 -0.480 1.863) 1.992 3.223 ( 0.116 -0.284 -4.561) 4.572 3.476 ( -6.536 3.703 2.231) 7.837 3.511 ( -6.869 1.522 -1.200) 7.137 3.642 ( -9.822 4.656 2.966) 11.267 3.711 ( -11.764 2.006 -3.471) 12.429 4.505 ( 8.694 -5.299 8.800) 13.458 4.670 ( 5.296 -3.465 -8.066) 10.253 5.310 ( 3.644 1.351 2.958) 4.884 5.380 ( 2.494 1.547 -3.594) 4.640 9.009 ( 9.663 0.063 17.757) 20.216 9.233 ( 13.647 0.007 -5.269) 14.629 9.999 ( -5.098 -1.615 34.837) 35.245 10.655 ( -7.442 -2.787 -30.897) 31.903 11.497 ( 27.499 -0.016 9.319) 29.035 11.692 ( 29.158 -0.056 -10.202) 30.891 13.348 ( 8.076 0.112 13.015) 15.318 13.596 ( 7.923 0.094 -12.371) 14.691 15.442 ( -12.749 0.309 12.650) 17.962 15.623 ( -17.625 4.493 -0.249) 18.190 15.912 ( -8.754 2.253 10.745) 14.042 16.249 ( -10.202 1.530 -17.908) 20.667 ======================= Grid point 423 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 8.624 -4.045 12.678) 15.858 1.802 ( 5.564 -2.419 -4.019) 7.278 1.975 ( 9.093 0.691 0.213) 9.121 2.038 ( 4.654 3.009 -3.234) 6.416 2.433 ( 0.566 0.639 1.729) 1.928 2.504 ( -3.657 -0.372 -5.208) 6.375 2.854 ( -3.170 1.228 9.246) 9.851 3.016 ( -2.635 -0.380 -6.404) 6.936 3.160 ( -1.725 0.567 0.837) 1.999 3.197 ( -3.931 1.344 -2.104) 4.657 3.331 ( -5.903 2.295 1.172) 6.441 3.365 ( -8.114 1.871 -0.761) 8.362 3.483 ( -4.231 4.283 -0.610) 6.051 3.508 ( -6.151 2.284 -3.011) 7.219 4.695 ( 6.874 -6.559 5.416) 10.936 4.782 ( 3.477 -4.411 -3.767) 6.762 5.370 ( 4.290 1.511 2.306) 5.099 5.414 ( 2.993 2.074 -1.663) 4.003 9.195 ( 11.319 0.101 21.078) 23.925 9.497 ( 16.090 0.118 -9.433) 18.652 9.904 ( -7.267 -1.597 33.054) 33.881 10.519 ( -10.686 -2.879 -28.894) 30.941 12.019 ( 30.335 -0.027 10.839) 32.213 12.224 ( 29.362 -0.163 -9.450) 30.846 13.527 ( 12.857 0.138 13.394) 18.566 13.760 ( 10.975 0.200 -11.248) 15.716 15.152 ( -19.474 1.154 9.850) 21.853 15.213 ( -22.962 5.610 7.898) 24.922 15.756 ( -8.149 0.317 6.623) 10.506 16.063 ( -9.216 0.884 -19.238) 21.350 ======================= Grid point 424 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 7.738 -4.625 10.337) 13.716 1.922 ( 5.133 -2.809 -1.904) 6.154 2.056 ( 1.269 2.875 0.480) 3.179 2.083 ( 3.278 1.591 -2.139) 4.225 2.441 ( -0.227 1.249 -1.070) 1.660 2.459 ( -0.436 0.462 -2.577) 2.654 2.792 ( -1.907 0.425 7.134) 7.397 2.941 ( -5.567 1.752 -6.683) 8.873 3.039 ( -6.419 1.270 1.285) 6.668 3.087 ( -6.979 2.296 -2.503) 7.762 3.257 ( -1.352 0.191 -1.608) 2.109 3.277 ( -1.138 0.491 -3.828) 4.024 3.420 ( -0.405 1.653 1.221) 2.095 3.452 ( -0.897 0.951 -1.733) 2.171 4.835 ( 3.601 -4.419 2.219) 6.117 4.857 ( 1.568 -2.928 -0.404) 3.346 5.424 ( 2.779 1.210 2.286) 3.796 5.448 ( 2.283 1.231 -0.008) 2.593 9.396 ( 11.537 0.264 24.761) 27.318 9.758 ( -1.608 -0.493 16.781) 16.865 9.794 ( 8.624 -0.175 -0.018) 8.626 10.328 ( -13.235 -2.192 -26.296) 29.520 12.490 ( 20.966 -0.072 10.125) 23.283 12.648 ( 17.066 -0.179 -5.550) 17.947 13.818 ( 20.453 -0.542 12.902) 24.188 13.989 ( 15.655 0.048 -7.454) 17.339 14.747 ( -24.485 4.143 7.233) 25.865 14.764 ( -23.764 1.121 4.818) 24.273 15.629 ( -5.669 -0.034 7.955) 9.769 15.927 ( -5.408 0.251 -18.977) 19.735 ======================= Grid point 425 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 -0.000 9.307) 9.307 1.979 ( 0.000 -0.000 1.381) 1.381 2.065 ( -0.000 -0.000 -0.600) 0.600 2.080 ( 0.000 -0.000 -2.774) 2.774 2.423 ( 0.000 0.000 0.623) 0.623 2.462 ( 0.000 -0.000 -3.355) 3.355 2.786 ( 0.000 -0.000 4.224) 4.224 2.864 ( -0.000 0.000 -3.705) 3.705 2.955 ( -0.000 0.000 -0.215) 0.215 3.020 ( 0.000 -0.000 -4.245) 4.245 3.254 ( 0.000 -0.000 -2.071) 2.071 3.264 ( 0.000 0.000 -4.011) 4.011 3.414 ( 0.000 -0.000 1.445) 1.445 3.441 ( 0.000 -0.000 -1.184) 1.184 4.881 ( 0.000 -0.000 0.954) 0.954 4.887 ( 0.000 -0.000 0.681) 0.681 5.443 ( 0.000 -0.000 2.818) 2.818 5.465 ( 0.000 -0.000 0.323) 0.323 9.565 ( 0.000 -0.000 29.941) 29.941 9.623 ( -0.000 -0.000 25.500) 25.500 10.004 ( 0.000 -0.000 -12.878) 12.878 10.142 ( -0.000 -0.000 -27.578) 27.578 12.685 ( 0.000 -0.000 8.714) 8.714 12.799 ( 0.000 -0.000 -2.727) 2.727 14.168 ( 0.000 -0.000 24.478) 24.478 14.271 ( 0.000 -0.000 0.653) 0.653 14.342 ( 0.000 -0.000 -8.235) 8.235 14.408 ( 0.000 -0.000 -1.434) 1.434 15.576 ( 0.000 -0.000 9.154) 9.154 15.878 ( 0.000 -0.000 -18.739) 18.739 ======================= Grid point 432 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 7.020 -0.000 15.757) 17.251 1.685 ( 4.581 -0.000 -5.659) 7.281 1.790 ( 12.206 -0.000 2.983) 12.565 1.962 ( 8.056 -0.000 -8.281) 11.553 2.447 ( -2.048 0.000 4.928) 5.337 2.570 ( -4.976 0.000 -7.245) 8.790 2.891 ( 1.266 -0.000 9.975) 10.055 3.028 ( 0.181 -0.000 -4.154) 4.158 3.155 ( 0.697 -0.000 2.010) 2.128 3.220 ( 0.319 -0.000 -4.644) 4.655 3.514 ( -7.578 0.000 0.561) 7.598 3.516 ( -7.204 0.000 0.688) 7.237 3.685 ( -9.980 0.000 1.575) 10.104 3.730 ( -10.344 0.000 -1.951) 10.526 4.458 ( 8.251 -0.000 9.451) 12.546 4.640 ( 4.845 -0.000 -9.055) 10.269 5.321 ( 3.596 -0.000 3.079) 4.735 5.393 ( 2.592 -0.000 -3.632) 4.462 9.009 ( 9.659 -0.000 17.721) 20.183 9.233 ( 13.660 -0.000 -5.252) 14.635 9.986 ( -4.887 0.000 34.379) 34.725 10.631 ( -7.135 0.000 -30.385) 31.211 11.497 ( 27.519 -0.000 9.318) 29.054 11.691 ( 29.138 -0.000 -10.165) 30.860 13.349 ( 8.119 -0.000 13.027) 15.350 13.597 ( 7.967 -0.000 -12.355) 14.701 15.444 ( -12.534 0.000 12.961) 18.031 15.656 ( -16.799 0.000 -5.149) 17.571 15.937 ( -10.704 0.000 12.978) 16.822 16.262 ( -10.609 0.000 -16.460) 19.583 ======================= Grid point 433 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 8.669 -1.493 13.722) 16.300 1.774 ( 5.310 -0.923 -5.309) 7.565 1.981 ( 8.807 0.145 2.404) 9.130 2.072 ( 4.572 1.083 -4.013) 6.179 2.442 ( 1.487 0.346 0.897) 1.771 2.500 ( -3.056 -0.111 -4.969) 5.835 2.868 ( -3.480 0.477 8.433) 9.135 3.008 ( -2.475 -0.394 -5.386) 5.941 3.164 ( -0.177 0.047 1.148) 1.163 3.210 ( -2.486 0.340 -3.333) 4.172 3.367 ( -8.105 1.619 1.751) 8.449 3.387 ( -7.240 0.623 0.409) 7.279 3.531 ( -5.628 1.174 -1.336) 5.902 3.544 ( -8.559 1.820 -2.349) 9.061 4.613 ( 7.819 -2.886 6.445) 10.536 4.727 ( 4.144 -1.927 -5.360) 7.044 5.388 ( 3.993 0.585 2.658) 4.832 5.438 ( 2.722 0.792 -1.928) 3.428 9.196 ( 11.366 0.043 21.042) 23.915 9.499 ( 16.256 0.059 -9.483) 18.820 9.886 ( -6.846 -0.602 32.435) 33.155 10.486 ( -9.994 -1.084 -28.066) 29.812 12.019 ( 30.308 -0.007 10.786) 32.170 12.222 ( 29.295 -0.069 -9.318) 30.742 13.529 ( 12.694 0.049 13.543) 18.563 13.763 ( 10.957 0.073 -11.220) 15.683 15.162 ( -19.372 0.272 10.668) 22.116 15.277 ( -24.268 1.992 3.070) 24.542 15.764 ( -8.716 0.455 8.407) 12.118 16.074 ( -9.865 0.362 -18.173) 20.681 ======================= Grid point 434 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 7.958 -2.869 11.295) 14.112 1.882 ( 5.431 -1.899 -3.389) 6.678 2.089 ( 3.446 0.820 0.297) 3.555 2.107 ( 1.295 1.469 -0.575) 2.041 2.456 ( -1.822 0.540 -1.803) 2.620 2.469 ( 0.993 0.801 -2.828) 3.103 2.798 ( -2.726 0.218 7.428) 7.915 2.955 ( -3.974 0.149 -7.806) 8.761 3.072 ( -8.326 2.347 2.512) 9.008 3.119 ( -6.386 1.313 -1.555) 6.702 3.264 ( -3.506 0.662 -1.303) 3.798 3.284 ( -1.421 0.301 -3.512) 3.800 3.445 ( -1.905 1.304 0.205) 2.317 3.464 ( -2.028 0.398 -1.437) 2.517 4.766 ( 6.186 -3.538 3.310) 7.857 4.811 ( 3.299 -2.315 -1.670) 4.363 5.441 ( 2.499 0.838 2.191) 3.428 5.468 ( 1.376 1.047 -0.077) 1.731 9.399 ( 11.732 0.183 24.846) 27.477 9.751 ( -7.076 -0.334 26.918) 27.834 9.792 ( 15.034 -0.003 -10.887) 18.562 10.299 ( -12.302 -1.323 -25.537) 28.377 12.489 ( 20.975 -0.037 10.050) 23.258 12.646 ( 17.150 -0.137 -5.449) 17.996 13.811 ( 19.593 -0.333 13.572) 23.837 13.989 ( 15.363 0.018 -7.604) 17.141 14.775 ( -23.665 0.542 6.099) 24.444 14.805 ( -26.902 2.458 3.762) 27.274 15.631 ( -5.660 0.254 8.622) 10.317 15.931 ( -5.766 0.168 -18.529) 19.406 ======================= Grid point 435 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 4.183 -3.233 9.028) 10.462 1.977 ( 2.682 -1.248 -1.907) 3.519 2.069 ( -2.031 1.754 1.697) 3.175 2.108 ( -1.912 1.842 -1.616) 3.108 2.423 ( -1.012 0.075 0.480) 1.122 2.458 ( -1.495 -0.368 -3.014) 3.385 2.789 ( 0.651 0.340 4.475) 4.535 2.870 ( -2.721 0.616 -3.596) 4.551 2.968 ( -1.435 1.421 -0.986) 2.248 3.019 ( -1.528 -0.080 -4.078) 4.356 3.245 ( -0.124 -0.852 -1.684) 1.891 3.268 ( -0.548 0.229 -4.150) 4.192 3.417 ( -1.153 0.348 1.208) 1.705 3.440 ( -0.662 -0.080 -1.015) 1.215 4.873 ( 2.334 -0.847 0.759) 2.596 4.874 ( 3.315 -1.324 0.921) 3.687 5.451 ( -0.850 0.813 2.503) 2.765 5.468 ( -0.753 0.284 0.582) 0.993 9.563 ( -3.016 -0.146 29.775) 29.928 9.626 ( 3.885 0.294 25.732) 26.025 10.002 ( -3.525 -0.198 -13.017) 13.488 10.145 ( 5.175 0.265 -27.526) 28.010 12.685 ( 0.103 0.005 8.695) 8.695 12.798 ( 0.139 -0.049 -2.700) 2.704 14.164 ( 7.735 -0.418 24.483) 25.680 14.268 ( 2.708 -0.296 -0.049) 2.724 14.348 ( -12.087 0.572 -7.588) 14.283 14.408 ( -2.959 -0.076 -1.328) 3.244 15.579 ( 0.200 0.252 8.997) 9.003 15.878 ( -0.149 -0.010 -18.642) 18.643 ======================= Grid point 436 (135/155) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -6.033 3.647 9.368) 11.724 1.956 ( -2.858 0.720 1.168) 3.170 2.023 ( -4.455 -0.076 -0.730) 4.515 2.050 ( -2.902 -2.389 -4.093) 5.557 2.421 ( -0.563 -1.040 0.298) 1.219 2.452 ( 1.486 -0.419 -2.458) 2.902 2.786 ( 0.571 -0.229 6.018) 6.050 2.903 ( 4.945 -2.464 -4.531) 7.145 3.032 ( 5.843 0.167 -1.404) 6.012 3.053 ( 5.946 -1.663 -2.497) 6.660 3.255 ( 0.631 -0.241 -2.129) 2.234 3.267 ( 1.008 -0.669 -4.146) 4.319 3.396 ( -1.362 -1.169 2.113) 2.773 3.437 ( -0.104 -0.783 -1.868) 2.028 4.891 ( 0.126 2.115 1.385) 2.531 4.902 ( 0.110 2.585 0.481) 2.631 5.407 ( -3.661 -0.680 2.630) 4.559 5.432 ( -3.430 -0.658 -0.029) 3.493 9.391 ( -11.311 -0.221 24.696) 27.164 9.765 ( -7.971 0.282 -0.376) 7.985 9.799 ( 2.087 0.528 18.011) 18.139 10.366 ( 14.419 2.265 -27.296) 30.954 12.491 ( -20.947 0.086 10.186) 23.293 12.651 ( -16.946 0.128 -5.612) 17.851 13.827 ( -21.550 0.546 12.016) 24.680 13.988 ( -16.012 -0.071 -7.268) 17.584 14.673 ( 22.064 -4.568 11.450) 25.274 14.746 ( 22.999 -1.109 3.207) 23.248 15.633 ( 5.955 0.456 6.918) 9.140 15.924 ( 5.076 -0.198 -19.200) 19.861 ======================= Grid point 437 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -8.409 5.399 11.036) 14.888 1.845 ( -6.549 2.481 -0.802) 7.049 1.959 ( -8.736 -1.153 -3.928) 9.648 1.980 ( -4.484 -3.781 -2.611) 6.421 2.425 ( 0.848 -0.258 3.030) 3.157 2.511 ( 4.519 0.425 -5.158) 6.870 2.830 ( 2.706 -1.697 9.584) 10.103 3.010 ( 3.630 -1.400 -7.529) 8.475 3.141 ( 5.109 -1.556 1.293) 5.495 3.172 ( 3.268 -1.491 -1.352) 3.838 3.305 ( 3.773 -0.912 -0.792) 3.961 3.337 ( 7.453 -1.273 -1.781) 7.767 3.412 ( 1.819 -4.143 1.189) 4.678 3.469 ( 4.452 -2.282 -4.020) 6.417 4.807 ( -5.441 6.748 3.977) 9.538 4.857 ( -2.331 4.419 -1.536) 5.227 5.342 ( -4.840 -1.824 1.768) 5.466 5.376 ( -3.838 -2.495 -1.226) 4.739 9.193 ( -11.255 -0.103 21.151) 23.960 9.495 ( -15.869 -0.087 -9.396) 18.443 9.934 ( 7.965 2.022 34.074) 35.051 10.574 ( 11.809 3.651 -30.293) 32.718 12.020 ( -30.380 0.051 10.905) 32.278 12.227 ( -29.464 0.166 -9.622) 30.996 13.524 ( -13.127 -0.194 13.138) 18.573 13.757 ( -11.000 -0.267 -11.299) 15.772 15.089 ( 19.496 -7.406 15.825) 26.180 15.141 ( 19.999 -2.057 7.138) 21.334 15.759 ( 8.187 0.635 4.171) 9.210 16.048 ( 8.323 -0.838 -20.198) 21.861 ======================= Grid point 438 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -6.644 5.239 13.358) 15.812 1.704 ( -9.176 -0.449 5.805) 10.867 1.795 ( -8.064 1.713 -9.007) 12.210 1.903 ( -7.294 -3.130 -7.864) 11.173 2.460 ( 3.325 0.877 5.879) 6.811 2.593 ( 5.501 1.199 -7.071) 9.038 2.870 ( -0.174 -1.086 11.046) 11.101 3.045 ( 0.172 0.564 -5.934) 5.963 3.167 ( -0.152 0.234 1.448) 1.475 3.226 ( 0.708 -0.101 -4.499) 4.556 3.398 ( 4.069 -5.586 3.171) 7.604 3.460 ( 3.455 -4.698 -3.001) 6.558 3.567 ( 12.171 -3.768 5.158) 13.745 3.676 ( 14.034 -2.003 -5.623) 15.251 4.610 ( -9.885 7.075 7.620) 14.347 4.742 ( -6.204 4.965 -5.923) 9.911 5.279 ( -3.797 -2.262 2.574) 5.115 5.345 ( -2.246 -2.691 -3.467) 4.930 9.007 ( -9.680 -0.095 17.852) 20.308 9.233 ( -13.623 0.009 -5.323) 14.626 10.035 ( 5.638 2.639 36.023) 36.557 10.717 ( 8.222 4.563 -32.277) 33.619 11.497 ( -27.442 0.039 9.303) 28.976 11.693 ( -29.208 0.066 -10.283) 30.965 13.346 ( -7.959 -0.198 12.982) 15.229 13.594 ( -7.804 -0.161 -12.418) 14.667 15.426 ( 13.247 -2.375 12.638) 18.462 15.505 ( 16.730 -9.009 11.075) 21.993 15.891 ( 6.982 0.024 4.300) 8.200 16.217 ( 9.040 -2.201 -20.551) 22.559 ======================= Grid point 439 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -3.615 4.570 15.556) 16.611 1.532 ( -9.922 -1.886 14.030) 17.288 1.686 ( -2.561 2.976 -15.367) 15.860 1.797 ( -6.319 -1.959 -12.397) 14.052 2.521 ( 4.249 1.274 7.600) 8.800 2.677 ( 4.831 1.200 -7.713) 9.179 2.839 ( -3.305 0.017 11.670) 12.129 3.018 ( -1.919 1.130 -6.266) 6.650 3.158 ( -0.265 0.809 2.181) 2.341 3.222 ( -0.357 0.655 -4.175) 4.241 3.521 ( 3.367 -7.449 2.780) 8.635 3.573 ( 3.712 -6.568 -2.507) 7.950 3.815 ( 12.251 -0.698 5.968) 13.646 3.912 ( 10.926 1.314 -3.692) 11.608 4.376 ( -10.603 3.857 10.658) 15.521 4.585 ( -7.059 2.289 -10.351) 12.736 5.248 ( -1.714 -1.797 3.286) 4.119 5.335 ( -1.012 -1.732 -4.868) 5.265 8.867 ( -5.958 -0.108 15.326) 16.444 9.036 ( -8.261 -0.016 -2.424) 8.609 10.090 ( 3.088 2.724 36.941) 37.170 10.791 ( 4.601 4.500 -32.638) 33.267 11.104 ( -16.337 0.163 6.711) 17.662 11.265 ( -17.994 0.059 -9.159) 20.191 13.241 ( -4.124 -0.001 12.276) 12.950 13.487 ( -4.302 0.004 -12.582) 13.298 15.606 ( 6.252 -0.336 13.244) 14.649 15.811 ( 8.880 -6.499 -2.052) 11.194 16.012 ( 5.375 -4.792 13.236) 15.068 16.380 ( 6.305 -3.218 -18.610) 19.911 ======================= Grid point 440 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 3.300 16.940) 17.259 1.448 ( -0.000 -1.357 15.925) 15.982 1.644 ( 0.000 2.091 -16.517) 16.649 1.748 ( -0.000 -1.166 -14.175) 14.223 2.559 ( 0.000 1.047 8.004) 8.072 2.719 ( 0.000 0.880 -7.917) 7.965 2.796 ( 0.000 0.135 12.287) 12.288 2.985 ( 0.000 1.106 -6.859) 6.948 3.148 ( 0.000 0.792 2.374) 2.503 3.213 ( 0.000 0.568 -4.072) 4.111 3.616 ( -0.000 -7.074 3.019) 7.691 3.664 ( -0.000 -5.633 -1.950) 5.961 3.931 ( 0.000 2.932 4.227) 5.145 3.990 ( 0.000 4.072 -1.767) 4.439 4.248 ( -0.000 -0.309 13.267) 13.270 4.508 ( -0.000 -0.169 -12.659) 12.661 5.246 ( -0.000 -1.187 3.325) 3.531 5.337 ( -0.000 -0.991 -5.245) 5.338 8.814 ( -0.000 -0.085 14.343) 14.343 8.961 ( -0.000 -0.026 -1.399) 1.399 10.097 ( 0.000 2.124 36.911) 36.972 10.804 ( 0.000 3.576 -33.882) 34.070 10.950 ( 0.000 0.056 7.159) 7.159 11.101 ( 0.000 0.040 -8.476) 8.476 13.204 ( 0.000 0.058 11.954) 11.954 13.449 ( 0.000 0.049 -12.591) 12.591 15.659 ( 0.000 0.259 13.385) 13.388 15.904 ( -0.000 -0.611 -10.912) 10.929 16.137 ( -0.000 -8.957 17.113) 19.316 16.464 ( -0.000 -2.575 -15.681) 15.891 ======================= Grid point 443 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 7.963 -0.000 11.685) 14.141 1.866 ( 5.411 -0.000 -3.864) 6.649 2.094 ( 4.293 -0.000 0.804) 4.367 2.121 ( 0.676 -0.000 -0.750) 1.010 2.460 ( -1.851 0.000 -1.821) 2.596 2.477 ( 0.882 -0.000 -3.066) 3.190 2.799 ( -3.021 0.000 7.439) 8.029 2.955 ( -3.225 0.000 -7.755) 8.399 3.096 ( -9.309 0.000 2.240) 9.574 3.128 ( -5.203 0.000 -0.739) 5.255 3.272 ( -4.988 0.000 -1.252) 5.143 3.286 ( -1.664 0.000 -3.431) 3.813 3.458 ( -2.308 0.000 -0.478) 2.357 3.465 ( -2.722 0.000 -1.044) 2.915 4.735 ( 7.186 -0.000 3.782) 8.120 4.791 ( 4.004 -0.000 -2.240) 4.588 5.448 ( 2.424 -0.000 2.234) 3.296 5.477 ( 1.100 -0.000 -0.158) 1.111 9.401 ( 11.808 -0.000 24.888) 27.547 9.748 ( -8.520 0.000 29.685) 30.883 9.792 ( 16.845 -0.000 -13.942) 21.866 10.288 ( -11.951 0.000 -25.259) 27.944 12.488 ( 20.977 -0.000 10.015) 23.245 12.644 ( 17.179 -0.000 -5.398) 18.007 13.808 ( 19.269 -0.000 13.818) 23.712 13.989 ( 15.250 -0.000 -7.661) 17.066 14.779 ( -23.766 0.000 6.524) 24.645 14.825 ( -27.598 0.000 2.499) 27.711 15.634 ( -5.741 0.000 8.806) 10.512 15.932 ( -5.917 0.000 -18.283) 19.216 ======================= Grid point 444 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 4.838 -1.411 9.195) 10.485 1.955 ( 3.886 -0.928 -3.827) 5.532 2.098 ( -2.902 1.157 2.442) 3.965 2.129 ( -0.788 0.636 -0.796) 1.288 2.425 ( -1.867 0.119 0.081) 1.873 2.452 ( -2.533 -0.284 -2.308) 3.439 2.794 ( 1.239 0.168 4.832) 4.992 2.879 ( -4.248 0.378 -3.489) 5.510 2.992 ( -1.457 1.154 -2.261) 2.927 3.017 ( -3.710 -0.228 -3.708) 5.250 3.232 ( -0.674 -0.493 -0.948) 1.264 3.270 ( -0.662 0.040 -4.472) 4.521 3.422 ( -2.050 0.235 0.788) 2.209 3.439 ( -0.664 -0.060 -0.652) 0.932 4.854 ( 5.618 -0.820 1.396) 5.847 4.861 ( 3.454 -0.498 0.339) 3.506 5.464 ( -0.873 0.605 1.797) 2.088 5.471 ( -1.561 0.039 1.216) 1.979 9.561 ( -4.376 -0.079 29.568) 29.890 9.630 ( 5.785 0.171 26.048) 26.683 10.000 ( -5.405 -0.117 -13.224) 14.287 10.149 ( 8.072 0.158 -27.465) 28.627 12.685 ( 0.165 0.003 8.664) 8.665 12.797 ( 0.226 -0.030 -2.656) 2.666 14.157 ( 11.778 -0.253 24.466) 27.155 14.264 ( 3.057 -0.141 -0.762) 3.154 14.356 ( -17.595 0.317 -6.982) 18.932 14.406 ( -4.667 -0.056 -1.110) 4.798 15.582 ( 0.293 0.157 8.743) 8.749 15.877 ( -0.233 -0.007 -18.484) 18.485 ======================= Grid point 445 (142/155) ======================= q-point: (-0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -0.594 -1.069 7.333) 7.434 1.974 ( -3.897 1.632 1.050) 4.353 2.012 ( -5.104 -1.289 -2.361) 5.770 2.049 ( -5.433 1.650 -0.846) 5.741 2.407 ( -0.477 -0.668 1.282) 1.522 2.445 ( 1.909 -0.458 -2.314) 3.035 2.785 ( -0.891 0.110 4.418) 4.508 2.871 ( 3.133 -1.389 -3.865) 5.166 3.035 ( 3.875 -0.591 -2.080) 4.438 3.037 ( 6.753 0.180 -2.559) 7.224 3.244 ( 1.469 -0.961 -2.337) 2.923 3.261 ( 0.019 -0.127 -4.109) 4.111 3.384 ( -2.385 -0.372 2.379) 3.390 3.428 ( -0.683 -0.252 -1.873) 2.010 4.911 ( 2.121 0.605 1.663) 2.762 4.930 ( 2.620 0.903 0.177) 2.777 5.403 ( -4.893 0.113 2.707) 5.593 5.426 ( -4.162 -0.219 0.183) 4.172 9.389 ( -11.142 -0.115 24.668) 27.067 9.767 ( -13.938 0.067 -10.877) 17.680 9.808 ( 8.946 0.501 29.196) 30.539 10.397 ( 15.402 1.440 -28.160) 32.129 12.492 ( -20.925 0.060 10.210) 23.283 12.652 ( -16.837 0.052 -5.612) 17.748 13.835 ( -22.477 0.339 11.244) 25.135 13.987 ( -16.294 -0.057 -7.115) 17.780 14.609 ( 19.897 -2.922 14.817) 24.980 14.730 ( 22.433 -0.756 1.826) 22.520 15.641 ( 6.287 0.445 6.009) 8.708 15.921 ( 4.915 -0.087 -19.157) 19.777 ======================= Grid point 446 (143/155) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -7.746 4.770 9.399) 13.081 1.865 ( -9.782 -0.324 2.643) 10.138 1.916 ( -4.515 -3.099 -2.034) 5.842 1.961 ( -5.406 1.076 -7.944) 9.669 2.424 ( 2.133 0.046 4.001) 4.535 2.514 ( 5.226 -0.041 -4.433) 6.853 2.802 ( 1.933 -1.543 8.319) 8.679 2.973 ( 5.051 -2.668 -7.375) 9.328 3.120 ( 4.724 -0.899 1.212) 4.959 3.149 ( 2.728 -1.267 -1.579) 3.397 3.297 ( 4.316 -0.268 -1.900) 4.723 3.327 ( 6.294 -0.170 -2.798) 6.890 3.357 ( -0.194 -2.447 3.014) 3.887 3.438 ( 3.326 -1.511 -4.563) 5.845 4.902 ( -3.340 4.547 2.565) 6.198 4.917 ( -1.152 2.907 0.421) 3.155 5.314 ( -5.407 -1.481 1.444) 5.789 5.339 ( -5.600 -1.785 -0.864) 5.941 9.191 ( -11.206 -0.064 21.238) 24.013 9.494 ( -15.692 -0.031 -9.390) 18.287 9.966 ( 8.668 1.679 35.104) 36.197 10.630 ( 12.944 3.040 -31.783) 34.452 12.021 ( -30.427 0.055 10.947) 32.336 12.229 ( -29.561 0.103 -9.740) 31.125 13.521 ( -13.408 -0.182 12.866) 18.583 13.752 ( -11.021 -0.233 -11.360) 15.829 14.968 ( 16.694 -6.594 22.251) 28.588 15.111 ( 19.289 -1.631 4.385) 19.848 15.773 ( 8.618 0.949 2.459) 9.012 16.038 ( 7.734 -0.412 -20.419) 21.839 ======================= Grid point 447 (144/155) ======================= q-point: (-0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -6.183 5.973 11.185) 14.107 1.680 ( -12.143 -2.157 8.401) 14.923 1.839 ( -5.000 2.018 -10.194) 11.532 1.853 ( -6.316 -1.646 -9.214) 11.292 2.477 ( 4.231 1.142 6.447) 7.795 2.611 ( 5.939 0.920 -6.281) 8.693 2.849 ( 1.004 -1.498 11.231) 11.375 3.048 ( 1.478 -0.303 -7.121) 7.279 3.159 ( -0.307 -1.353 1.075) 1.755 3.211 ( 2.640 -2.056 -4.569) 5.663 3.316 ( -0.508 -3.656 3.381) 5.006 3.385 ( 0.189 -3.549 -3.260) 4.823 3.522 ( 14.273 -1.980 5.553) 15.443 3.650 ( 15.940 -1.215 -6.814) 17.377 4.720 ( -11.307 6.124 6.693) 14.496 4.821 ( -6.828 4.550 -3.781) 9.035 5.240 ( -4.097 -2.378 1.904) 5.105 5.297 ( -1.915 -3.058 -3.241) 4.851 9.006 ( -9.708 -0.085 17.975) 20.429 9.233 ( -13.614 0.030 -5.400) 14.646 10.080 ( 6.277 2.674 37.475) 38.091 10.794 ( 9.146 4.654 -34.083) 35.595 11.498 ( -27.361 0.059 9.237) 28.878 11.694 ( -29.269 0.028 -10.334) 31.039 13.342 ( -7.805 -0.222 12.940) 15.113 13.591 ( -7.649 -0.174 -12.483) 14.641 15.303 ( 13.305 -10.596 24.153) 29.541 15.420 ( 13.811 -2.508 7.278) 15.812 15.905 ( 7.124 1.373 0.525) 7.274 16.185 ( 7.841 -1.477 -21.990) 23.393 ======================= Grid point 448 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -3.389 6.192 13.324) 15.078 1.496 ( -9.762 -2.250 13.710) 16.980 1.746 ( -2.299 4.159 -14.308) 15.076 1.760 ( -5.579 -2.250 -12.734) 14.084 2.545 ( 4.510 1.650 7.704) 9.078 2.699 ( 4.814 1.381 -7.016) 8.620 2.841 ( -2.349 0.207 12.019) 12.248 3.039 ( -1.333 1.277 -6.925) 7.166 3.164 ( -0.062 -0.411 2.335) 2.371 3.233 ( -0.049 0.640 -4.337) 4.384 3.385 ( 1.477 -8.749 2.495) 9.217 3.450 ( 1.752 -7.760 -3.410) 8.655 3.809 ( 16.228 -0.095 7.000) 17.674 3.932 ( 14.637 1.204 -5.077) 15.539 4.443 ( -14.452 4.087 9.730) 17.895 4.628 ( -10.240 2.836 -8.961) 13.900 5.214 ( -1.401 -2.287 3.263) 4.223 5.301 ( -0.482 -2.372 -4.904) 5.469 8.865 ( -5.982 -0.131 15.422) 16.542 9.036 ( -8.301 -0.013 -2.504) 8.670 10.141 ( 3.464 3.364 38.601) 38.902 10.875 ( 4.905 5.477 -33.520) 34.317 11.108 ( -16.024 0.331 5.684) 17.005 11.266 ( -17.968 0.053 -9.177) 20.177 13.241 ( -3.960 -0.010 12.279) 12.902 13.488 ( -4.174 0.000 -12.584) 13.258 15.570 ( 6.977 -6.809 17.712) 20.218 15.649 ( 8.219 -8.773 12.428) 17.291 15.992 ( 3.806 1.087 1.308) 4.169 16.324 ( 5.314 -3.243 -22.383) 23.232 ======================= Grid point 449 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 5.854 14.879) 15.989 1.418 ( -0.000 -2.138 15.992) 16.134 1.693 ( 0.000 3.855 -15.696) 16.162 1.722 ( -0.000 -1.834 -14.467) 14.583 2.581 ( 0.000 1.612 7.841) 8.005 2.738 ( 0.000 1.380 -7.735) 7.857 2.802 ( 0.000 0.623 13.033) 13.047 3.008 ( 0.000 1.663 -7.505) 7.687 3.162 ( 0.000 0.642 2.296) 2.384 3.224 ( 0.000 0.807 -3.815) 3.899 3.477 ( -0.000 -9.584 3.039) 10.054 3.540 ( -0.000 -8.822 -3.079) 9.344 3.994 ( 0.000 4.389 4.543) 6.316 4.062 ( 0.000 4.506 -2.267) 5.044 4.241 ( -0.000 -0.508 13.482) 13.492 4.504 ( -0.000 -0.271 -12.772) 12.775 5.220 ( -0.000 -1.918 3.532) 4.019 5.313 ( -0.000 -1.817 -5.350) 5.650 8.812 ( -0.000 -0.138 14.409) 14.409 8.960 ( -0.000 -0.042 -1.457) 1.457 10.144 ( 0.000 3.416 38.442) 38.594 10.883 ( 0.000 5.776 -35.558) 36.024 10.951 ( 0.000 0.090 7.150) 7.151 11.102 ( 0.000 0.066 -8.451) 8.452 13.205 ( 0.000 0.093 11.962) 11.962 13.450 ( 0.000 0.079 -12.568) 12.568 15.655 ( -0.000 -1.298 13.700) 13.761 15.820 ( -0.000 -11.359 6.635) 13.155 16.026 ( -0.000 -1.785 7.562) 7.770 16.405 ( -0.000 -4.155 -20.697) 21.109 ======================= Grid point 454 (147/155) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.524 -0.000 6.541) 6.561 1.980 ( -1.980 0.000 -5.281) 5.640 2.012 ( -7.119 0.000 3.933) 8.133 2.064 ( -5.897 0.000 -0.111) 5.898 2.401 ( -0.343 0.000 1.612) 1.648 2.440 ( 1.979 -0.000 -2.266) 3.008 2.787 ( -1.516 0.000 3.660) 3.962 2.860 ( 2.293 -0.000 -3.774) 4.416 3.030 ( 4.035 -0.000 -2.002) 4.505 3.038 ( 6.019 -0.000 -2.754) 6.619 3.234 ( 1.690 -0.000 -2.094) 2.691 3.260 ( -0.194 0.000 -4.219) 4.223 3.381 ( -2.626 0.000 2.372) 3.539 3.427 ( -0.856 0.000 -1.866) 2.053 4.916 ( 2.758 -0.000 1.756) 3.270 4.936 ( 3.690 -0.000 0.083) 3.691 5.405 ( -5.484 0.000 2.585) 6.063 5.424 ( -4.327 0.000 0.398) 4.345 9.388 ( -11.081 0.000 24.662) 27.037 9.768 ( -15.323 0.000 -13.305) 20.293 9.813 ( 10.667 -0.000 31.882) 33.619 10.409 ( 15.783 -0.000 -28.503) 32.581 12.493 ( -20.915 0.000 10.213) 23.276 12.653 ( -16.793 0.000 -5.601) 17.702 13.837 ( -22.844 0.000 10.934) 25.326 13.986 ( -16.400 0.000 -7.055) 17.853 14.585 ( 19.072 -0.000 16.090) 24.952 14.724 ( 22.192 -0.000 1.283) 22.229 15.645 ( 6.422 -0.000 5.656) 8.557 15.921 ( 4.881 -0.000 -19.094) 19.708 ======================= Grid point 455 (148/155) ======================= q-point: (-0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -5.788 1.378 7.597) 9.649 1.850 ( -11.278 -0.849 1.685) 11.435 1.888 ( -5.404 -0.339 -1.435) 5.601 1.982 ( -4.009 0.884 -6.468) 7.661 2.424 ( 2.905 0.001 4.367) 5.245 2.511 ( 5.461 -0.249 -3.492) 6.487 2.784 ( 1.183 -0.571 6.461) 6.593 2.939 ( 5.231 -1.223 -7.220) 8.999 3.113 ( 3.744 -0.079 0.888) 3.848 3.132 ( 2.585 -0.735 -1.161) 2.928 3.292 ( 5.318 -0.243 -1.654) 5.575 3.326 ( 7.299 -0.004 -4.121) 8.382 3.334 ( -2.323 -0.487 3.871) 4.541 3.422 ( 2.420 -0.475 -4.636) 5.251 4.945 ( 0.372 0.985 1.747) 2.039 4.955 ( -2.112 1.490 1.364) 2.923 5.297 ( -5.997 -0.567 1.509) 6.210 5.320 ( -7.205 -0.574 -0.740) 7.265 9.191 ( -11.183 -0.020 21.295) 24.053 9.494 ( -15.598 -0.004 -9.396) 18.209 9.985 ( 9.102 0.652 35.743) 36.890 10.666 ( 13.656 1.184 -32.760) 35.512 12.021 ( -30.456 0.024 10.958) 32.367 12.230 ( -29.621 0.031 -9.782) 31.195 13.519 ( -13.588 -0.077 12.693) 18.594 13.750 ( -11.032 -0.093 -11.402) 15.865 14.891 ( 14.833 -2.548 25.701) 29.783 15.091 ( 18.823 -0.695 2.611) 19.016 15.785 ( 8.924 0.426 1.691) 9.093 16.034 ( 7.541 -0.091 -20.274) 21.631 ======================= Grid point 456 (149/155) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -12.625 -1.652 7.985) 15.030 1.685 ( -5.636 4.298 9.201) 11.615 1.807 ( -5.710 -1.938 -7.838) 9.889 1.896 ( -3.771 2.647 -10.767) 11.711 2.493 ( 4.896 0.770 6.632) 8.279 2.619 ( 6.349 0.024 -4.415) 7.733 2.825 ( 1.839 -1.351 9.989) 10.246 3.034 ( 3.638 -1.181 -8.075) 8.935 3.131 ( -1.600 -1.523 0.917) 2.391 3.167 ( 1.491 -2.486 -3.018) 4.185 3.287 ( -2.168 -0.432 1.873) 2.897 3.352 ( -1.430 -0.881 -3.564) 3.940 3.498 ( 15.316 -0.990 5.968) 16.467 3.636 ( 17.107 -0.532 -7.352) 18.627 4.801 ( -12.474 3.551 6.258) 14.400 4.882 ( -6.913 2.784 -2.235) 7.781 5.208 ( -4.622 -1.495 1.028) 4.966 5.252 ( -1.440 -2.271 -2.946) 3.989 9.005 ( -9.737 -0.048 18.077) 20.533 9.234 ( -13.620 0.028 -5.468) 14.677 10.116 ( 6.773 1.671 38.644) 39.269 10.858 ( 9.868 2.937 -35.654) 37.110 11.499 ( -27.276 0.050 9.131) 28.764 11.694 ( -29.323 -0.009 -10.321) 31.087 13.339 ( -7.670 -0.153 12.909) 15.017 13.589 ( -7.517 -0.115 -12.543) 14.624 15.155 ( 11.031 -6.841 30.615) 33.253 15.385 ( 13.311 -1.759 3.918) 13.987 15.927 ( 7.459 1.075 -0.693) 7.568 16.170 ( 7.245 -0.489 -21.993) 23.161 ======================= Grid point 457 (150/155) ======================= q-point: (-0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -9.533 -1.982 13.606) 16.731 1.568 ( -2.876 6.023 10.741) 12.645 1.725 ( -4.831 -1.874 -12.828) 13.835 1.817 ( -1.964 4.084 -13.291) 14.043 2.571 ( 4.586 1.394 7.646) 9.024 2.718 ( 4.954 0.853 -5.663) 7.572 2.843 ( -0.904 -0.051 12.131) 12.165 3.058 ( -0.539 1.121 -7.049) 7.158 3.130 ( -0.470 -3.660 3.561) 5.128 3.231 ( 1.735 -3.047 -7.439) 8.224 3.267 ( -1.021 -3.208 3.141) 4.604 3.350 ( -0.404 -3.892 -4.448) 5.924 3.809 ( 18.655 -0.029 7.846) 20.238 3.949 ( 17.393 0.850 -5.976) 18.411 4.502 ( -17.384 3.012 9.259) 19.925 4.671 ( -13.032 2.371 -7.901) 15.423 5.179 ( -0.980 -1.926 3.102) 3.780 5.263 ( 0.084 -2.140 -4.838) 5.290 8.864 ( -6.009 -0.103 15.518) 16.641 9.036 ( -8.350 -0.006 -2.586) 8.741 10.192 ( 3.810 2.723 40.234) 40.506 10.956 ( 4.443 4.208 -32.584) 33.154 11.116 ( -14.993 0.578 2.637) 15.234 11.267 ( -17.917 0.009 -9.149) 20.117 13.240 ( -3.783 -0.016 12.285) 12.854 13.487 ( -4.038 -0.003 -12.589) 13.220 15.386 ( 6.510 -11.415 30.829) 33.513 15.581 ( 6.930 -2.630 6.235) 9.686 16.018 ( 3.986 1.666 -1.519) 4.580 16.284 ( 4.544 -1.564 -23.625) 24.109 ======================= Grid point 458 (151/155) ======================= q-point: (-0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -0.000 -2.080 16.068) 16.202 1.489 ( 0.000 6.794 12.308) 14.058 1.692 ( -0.000 -1.780 -14.827) 14.934 1.764 ( 0.000 4.592 -14.548) 15.255 2.607 ( 0.000 1.524 7.671) 7.821 2.761 ( 0.000 1.335 -7.549) 7.666 2.816 ( 0.000 0.974 13.970) 14.004 3.036 ( 0.000 1.628 -7.470) 7.646 3.154 ( -0.000 -2.216 3.520) 4.159 3.238 ( 0.000 0.909 -4.154) 4.252 3.323 ( -0.000 -8.670 1.476) 8.795 3.400 ( -0.000 -7.615 -4.570) 8.881 4.063 ( 0.000 3.909 4.646) 6.071 4.132 ( 0.000 3.936 -2.221) 4.519 4.232 ( -0.000 -0.517 13.764) 13.773 4.499 ( -0.000 -0.268 -12.917) 12.920 5.187 ( -0.000 -1.942 3.571) 4.065 5.281 ( -0.000 -2.066 -5.338) 5.724 8.810 ( -0.000 -0.138 14.490) 14.491 8.960 ( -0.000 -0.041 -1.528) 1.529 10.201 ( 0.000 3.397 40.291) 40.434 10.952 ( 0.000 0.090 7.139) 7.140 10.980 ( 0.000 5.805 -37.765) 38.209 11.103 ( 0.000 0.066 -8.421) 8.421 13.206 ( 0.000 0.093 11.971) 11.972 13.451 ( 0.000 0.078 -12.540) 12.540 15.548 ( -0.000 -12.890 26.475) 29.446 15.668 ( -0.000 -3.947 9.044) 9.868 16.038 ( 0.000 1.813 -0.987) 2.064 16.345 ( -0.000 -2.921 -23.830) 24.008 ======================= Grid point 465 (152/155) ======================= q-point: (-0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -12.606 0.000 7.747) 14.796 1.723 ( -5.358 0.000 8.400) 9.963 1.790 ( -5.506 0.000 -8.031) 9.737 1.919 ( -3.380 0.000 -10.125) 10.674 2.500 ( 5.174 -0.000 6.614) 8.397 2.618 ( 6.498 -0.000 -3.001) 7.157 2.813 ( 1.992 -0.000 8.750) 8.973 3.022 ( 4.541 -0.000 -8.486) 9.625 3.118 ( -2.143 0.000 0.922) 2.333 3.146 ( 0.061 -0.000 -2.318) 2.319 3.285 ( -1.983 0.000 1.218) 2.328 3.346 ( -1.854 0.000 -3.673) 4.115 3.490 ( 15.669 -0.000 6.195) 16.849 3.632 ( 17.490 -0.000 -7.513) 19.036 4.830 ( -12.955 0.000 6.187) 14.357 4.906 ( -6.825 0.000 -1.646) 7.020 5.195 ( -5.108 0.000 0.508) 5.133 5.231 ( -0.990 0.000 -2.762) 2.934 9.004 ( -9.750 0.000 18.117) 20.574 9.234 ( -13.626 0.000 -5.496) 14.692 10.130 ( 6.958 -0.000 39.091) 39.705 10.883 ( 10.140 -0.000 -36.285) 37.675 11.499 ( -27.236 0.000 9.073) 28.707 11.694 ( -29.348 0.000 -10.298) 31.102 13.338 ( -7.616 0.000 12.900) 14.980 13.588 ( -7.465 0.000 -12.568) 14.618 15.097 ( 10.131 -0.000 32.763) 34.293 15.369 ( 13.082 -0.000 2.521) 13.323 15.936 ( 7.584 -0.000 -0.952) 7.643 16.166 ( 7.115 -0.000 -21.787) 22.919 ======================= Grid point 467 (153/155) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -9.254 -0.768 13.503) 16.388 1.642 ( -2.558 2.615 8.763) 9.496 1.703 ( -4.345 -0.688 -12.787) 13.522 1.867 ( -1.686 1.754 -12.378) 12.615 2.588 ( 4.559 0.553 7.470) 8.769 2.725 ( 5.349 0.099 -3.565) 6.429 2.839 ( 0.392 -0.259 11.508) 11.518 3.070 ( -2.440 -0.782 -0.287) 2.578 3.082 ( 1.228 -0.198 -3.307) 3.534 3.156 ( 0.159 -3.439 -4.459) 5.634 3.264 ( -0.521 0.330 -1.642) 1.754 3.317 ( -1.367 -0.722 -4.459) 4.720 3.808 ( 19.813 -0.017 8.393) 21.517 3.959 ( 18.813 0.303 -6.442) 19.888 4.536 ( -18.909 1.107 9.133) 21.029 4.700 ( -14.665 0.939 -7.384) 16.446 5.156 ( -0.642 -0.758 2.927) 3.091 5.237 ( 0.496 -0.882 -4.739) 4.846 8.862 ( -6.028 -0.039 15.578) 16.704 9.035 ( -8.385 -0.001 -2.638) 8.790 10.224 ( 4.011 1.041 41.235) 41.443 11.003 ( 2.793 1.440 -28.812) 28.982 11.125 ( -13.000 0.425 -2.634) 13.271 11.267 ( -17.882 -0.014 -9.046) 20.040 13.240 ( -3.665 -0.009 12.290) 12.825 13.487 ( -3.951 -0.002 -12.593) 13.198 15.252 ( 5.487 -4.419 35.781) 36.468 15.548 ( 6.714 -1.190 3.121) 7.499 16.038 ( 4.119 0.691 -1.998) 4.630 16.270 ( 4.259 -0.327 -23.346) 23.733 ======================= Grid point 468 (154/155) ======================= q-point: (-0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -0.000 -1.261 16.124) 16.173 1.589 ( 0.000 4.942 10.012) 11.165 1.668 ( -0.000 -1.077 -15.118) 15.157 1.832 ( 0.000 3.333 -13.416) 13.824 2.628 ( 0.000 0.903 7.556) 7.610 2.779 ( 0.000 0.806 -7.429) 7.473 2.830 ( 0.000 0.635 15.367) 15.380 3.054 ( -0.000 -0.330 -2.985) 3.003 3.096 ( -0.000 -2.608 1.326) 2.926 3.202 ( -0.000 -6.117 -4.230) 7.437 3.255 ( 0.000 0.793 -2.634) 2.750 3.318 ( -0.000 -2.460 -5.035) 5.603 4.115 ( 0.000 2.269 4.860) 5.363 4.184 ( 0.000 2.333 -2.100) 3.139 4.225 ( -0.000 -0.325 14.004) 14.008 4.496 ( -0.000 -0.164 -13.040) 13.041 5.161 ( -0.000 -1.217 3.446) 3.654 5.251 ( -0.000 -1.406 -5.223) 5.409 8.808 ( -0.000 -0.085 14.556) 14.557 8.959 ( -0.000 -0.025 -1.586) 1.587 10.247 ( 0.000 2.093 41.762) 41.814 10.954 ( 0.000 0.056 7.131) 7.131 11.060 ( 0.000 3.627 -39.716) 39.881 11.104 ( 0.000 0.041 -8.396) 8.396 13.208 ( 0.000 0.057 11.979) 11.979 13.452 ( 0.000 0.048 -12.517) 12.517 15.357 ( -0.000 -8.977 34.968) 36.102 15.622 ( -0.000 -2.223 4.604) 5.112 16.066 ( 0.000 1.356 -2.181) 2.569 16.314 ( -0.000 -0.985 -24.173) 24.193 ======================= Grid point 478 (155/155) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 6.10e-05 6.10e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 0.000 16.145) 16.145 1.632 ( 0.000 0.000 9.011) 9.011 1.659 ( 0.000 0.000 -15.230) 15.230 1.861 ( 0.000 0.000 -12.902) 12.902 2.635 ( 0.000 0.000 7.517) 7.517 2.785 ( 0.000 0.000 -7.391) 7.391 2.835 ( 0.000 0.000 16.505) 16.505 3.030 ( 0.000 0.000 4.223) 4.223 3.106 ( -0.000 -0.000 -6.014) 6.014 3.133 ( 0.000 0.000 -4.875) 4.875 3.263 ( 0.000 0.000 -3.739) 3.739 3.301 ( 0.000 0.000 -4.603) 4.603 4.134 ( 0.000 0.000 4.972) 4.972 4.203 ( 0.000 0.000 -2.056) 2.056 4.222 ( 0.000 0.000 14.099) 14.099 4.494 ( 0.000 0.000 -13.089) 13.089 5.150 ( 0.000 0.000 3.361) 3.361 5.239 ( 0.000 0.000 -5.153) 5.153 8.807 ( 0.000 0.000 14.582) 14.582 8.959 ( 0.000 0.000 -1.609) 1.609 10.265 ( 0.000 0.000 42.319) 42.319 10.954 ( 0.000 0.000 7.127) 7.127 11.090 ( 0.000 0.000 -40.512) 40.512 11.104 ( 0.000 0.000 -8.386) 8.386 13.208 ( 0.000 0.000 11.982) 11.982 13.452 ( 0.000 0.000 -12.508) 12.508 15.281 ( 0.000 0.000 37.558) 37.558 15.602 ( 0.000 0.000 2.767) 2.767 16.077 ( 0.000 0.000 -2.310) 2.310 16.307 ( 0.000 0.000 -23.885) 23.885 =================== 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 3/27000 10.0 216.894 157.082 213.691 0.000 0.000 0.000 3/27000 20.0 67.004 37.303 90.528 0.000 0.000 0.000 3/27000 30.0 29.484 14.558 42.145 0.000 0.000 0.000 3/27000 40.0 18.830 8.365 26.757 0.000 0.000 0.000 3/27000 50.0 14.150 5.826 19.867 0.000 0.000 0.000 3/27000 60.0 11.495 4.491 16.035 0.000 0.000 0.000 3/27000 70.0 9.751 3.672 13.615 0.000 0.000 0.000 3/27000 80.0 8.507 3.117 11.959 0.000 0.000 0.000 3/27000 90.0 7.576 2.716 10.758 0.000 0.000 0.000 3/27000 100.0 6.852 2.414 9.843 0.000 0.000 0.000 3/27000 110.0 6.273 2.178 9.118 0.000 0.000 0.000 3/27000 120.0 5.800 1.988 8.522 0.000 0.000 0.000 3/27000 130.0 5.404 1.834 8.020 0.000 0.000 0.000 3/27000 140.0 5.067 1.704 7.587 0.000 0.000 0.000 3/27000 150.0 4.776 1.595 7.206 0.000 0.000 0.000 3/27000 160.0 4.521 1.500 6.867 0.000 0.000 0.000 3/27000 170.0 4.295 1.418 6.562 0.000 0.000 0.000 3/27000 180.0 4.093 1.346 6.285 0.000 0.000 0.000 3/27000 190.0 3.911 1.281 6.031 0.000 0.000 0.000 3/27000 200.0 3.745 1.223 5.797 0.000 0.000 0.000 3/27000 210.0 3.593 1.171 5.581 0.000 0.000 0.000 3/27000 220.0 3.454 1.123 5.380 0.000 0.000 0.000 3/27000 230.0 3.325 1.079 5.193 0.000 0.000 0.000 3/27000 240.0 3.206 1.039 5.018 0.000 0.000 0.000 3/27000 250.0 3.095 1.002 4.854 0.000 0.000 0.000 3/27000 260.0 2.991 0.967 4.700 0.000 0.000 0.000 3/27000 270.0 2.894 0.935 4.555 0.000 0.000 0.000 3/27000 280.0 2.803 0.905 4.418 0.000 0.000 0.000 3/27000 290.0 2.718 0.877 4.289 0.000 0.000 0.000 3/27000 300.0 2.637 0.851 4.167 0.000 0.000 0.000 3/27000 310.0 2.562 0.826 4.051 0.000 0.000 0.000 3/27000 320.0 2.490 0.803 3.942 0.000 0.000 0.000 3/27000 330.0 2.422 0.780 3.837 0.000 0.000 0.000 3/27000 340.0 2.357 0.759 3.738 0.000 0.000 0.000 3/27000 350.0 2.296 0.740 3.644 0.000 0.000 0.000 3/27000 360.0 2.238 0.721 3.554 0.000 0.000 0.000 3/27000 370.0 2.183 0.703 3.469 0.000 0.000 0.000 3/27000 380.0 2.130 0.686 3.387 0.000 0.000 0.000 3/27000 390.0 2.080 0.669 3.309 0.000 0.000 0.000 3/27000 400.0 2.032 0.654 3.234 0.000 0.000 0.000 3/27000 410.0 1.986 0.639 3.162 0.000 0.000 0.000 3/27000 420.0 1.942 0.625 3.093 0.000 0.000 0.000 3/27000 430.0 1.900 0.611 3.028 0.000 0.000 0.000 3/27000 440.0 1.860 0.598 2.964 0.000 0.000 0.000 3/27000 450.0 1.821 0.586 2.904 0.000 0.000 0.000 3/27000 460.0 1.784 0.574 2.845 0.000 0.000 0.000 3/27000 470.0 1.748 0.562 2.789 0.000 0.000 0.000 3/27000 480.0 1.714 0.551 2.735 0.000 0.000 0.000 3/27000 490.0 1.681 0.541 2.683 0.000 0.000 0.000 3/27000 500.0 1.649 0.530 2.633 0.000 0.000 0.000 3/27000 510.0 1.618 0.521 2.585 0.000 0.000 0.000 3/27000 520.0 1.589 0.511 2.538 0.000 0.000 0.000 3/27000 530.0 1.560 0.502 2.493 0.000 0.000 0.000 3/27000 540.0 1.533 0.493 2.450 0.000 0.000 0.000 3/27000 550.0 1.506 0.484 2.408 0.000 0.000 0.000 3/27000 560.0 1.480 0.476 2.367 0.000 0.000 0.000 3/27000 570.0 1.456 0.468 2.328 0.000 0.000 0.000 3/27000 580.0 1.432 0.460 2.289 0.000 0.000 0.000 3/27000 590.0 1.408 0.453 2.253 0.000 0.000 0.000 3/27000 600.0 1.386 0.446 2.217 0.000 0.000 0.000 3/27000 610.0 1.364 0.439 2.182 0.000 0.000 0.000 3/27000 620.0 1.343 0.432 2.149 0.000 0.000 0.000 3/27000 630.0 1.322 0.425 2.116 0.000 0.000 0.000 3/27000 640.0 1.302 0.419 2.084 0.000 0.000 0.000 3/27000 650.0 1.283 0.413 2.054 0.000 0.000 0.000 3/27000 660.0 1.264 0.407 2.024 0.000 0.000 0.000 3/27000 670.0 1.246 0.401 1.995 0.000 0.000 0.000 3/27000 680.0 1.228 0.395 1.966 0.000 0.000 0.000 3/27000 690.0 1.211 0.389 1.939 0.000 0.000 0.000 3/27000 700.0 1.194 0.384 1.912 0.000 0.000 0.000 3/27000 710.0 1.178 0.379 1.886 0.000 0.000 0.000 3/27000 720.0 1.162 0.374 1.861 0.000 0.000 0.000 3/27000 730.0 1.146 0.369 1.836 0.000 0.000 0.000 3/27000 740.0 1.131 0.364 1.812 0.000 0.000 0.000 3/27000 750.0 1.117 0.359 1.789 0.000 0.000 0.000 3/27000 760.0 1.102 0.355 1.766 0.000 0.000 0.000 3/27000 770.0 1.088 0.350 1.744 0.000 0.000 0.000 3/27000 780.0 1.075 0.346 1.722 0.000 0.000 0.000 3/27000 790.0 1.062 0.341 1.701 0.000 0.000 0.000 3/27000 800.0 1.049 0.337 1.680 0.000 0.000 0.000 3/27000 810.0 1.036 0.333 1.660 0.000 0.000 0.000 3/27000 820.0 1.024 0.329 1.641 0.000 0.000 0.000 3/27000 830.0 1.012 0.325 1.621 0.000 0.000 0.000 3/27000 840.0 1.000 0.322 1.603 0.000 0.000 0.000 3/27000 850.0 0.988 0.318 1.584 0.000 0.000 0.000 3/27000 860.0 0.977 0.314 1.566 0.000 0.000 0.000 3/27000 870.0 0.966 0.311 1.549 0.000 0.000 0.000 3/27000 880.0 0.955 0.307 1.531 0.000 0.000 0.000 3/27000 890.0 0.945 0.304 1.515 0.000 0.000 0.000 3/27000 900.0 0.934 0.301 1.498 0.000 0.000 0.000 3/27000 910.0 0.924 0.297 1.482 0.000 0.000 0.000 3/27000 920.0 0.915 0.294 1.466 0.000 0.000 0.000 3/27000 930.0 0.905 0.291 1.451 0.000 0.000 0.000 3/27000 940.0 0.895 0.288 1.436 0.000 0.000 0.000 3/27000 950.0 0.886 0.285 1.421 0.000 0.000 0.000 3/27000 960.0 0.877 0.282 1.407 0.000 0.000 0.000 3/27000 970.0 0.868 0.279 1.392 0.000 0.000 0.000 3/27000 980.0 0.859 0.276 1.378 0.000 0.000 0.000 3/27000 990.0 0.851 0.274 1.365 0.000 0.000 0.000 3/27000 1000.0 0.843 0.271 1.351 0.000 0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:47:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|