----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:13:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.339365912046476 0.000000000000000 0.000000000000000 b -2.669682956023238 4.624026519932917 0.000000000000000 c 0.000000000000000 0.000000000000000 5.790056660000000 Atomic positions (fractional): *1 O 0.38512630175512 0.00000000000000 0.30420581561431 15.999 2 O 0.61487369824488 0.61487369824488 0.30420581561431 15.999 3 O 0.00000000000000 0.38512630175512 0.30420581561431 15.999 4 O 0.38512630175512 0.38512630175512 0.69579418438569 15.999 5 O 0.00000000000000 0.61487369824488 0.69579418438569 15.999 6 O 0.61487369824488 0.00000000000000 0.69579418438569 15.999 *7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 *9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.339365912046476 0.000000000000000 0.000000000000000 b -2.669682956023238 4.624026519932917 0.000000000000000 c 0.000000000000000 0.000000000000000 5.790056660000000 Atomic positions (fractional): *1 O 0.38512630175512 0.00000000000000 0.30420581561431 15.999 > 1 2 O 0.61487369824488 0.61487369824488 0.30420581561431 15.999 > 2 3 O 0.00000000000000 0.38512630175512 0.30420581561431 15.999 > 3 4 O 0.38512630175512 0.38512630175512 0.69579418438569 15.999 > 4 5 O 0.00000000000000 0.61487369824488 0.69579418438569 15.999 > 5 6 O 0.61487369824488 0.00000000000000 0.69579418438569 15.999 > 6 *7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 7 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 8 *9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.678731824092951 0.000000000000000 0.000000000000000 b -5.339365912046476 9.248053039865834 0.000000000000000 c 0.000000000000000 0.000000000000000 11.580113320000001 Atomic positions (fractional): *1 O 0.19256315087756 0.00000000000000 0.15210290780715 15.999 > 1 2 O 0.69256315087756 0.00000000000000 0.15210290780715 15.999 > 1 3 O 0.19256315087756 0.50000000000000 0.15210290780715 15.999 > 1 4 O 0.69256315087756 0.50000000000000 0.15210290780715 15.999 > 1 5 O 0.19256315087756 0.00000000000000 0.65210290780715 15.999 > 1 6 O 0.69256315087756 0.00000000000000 0.65210290780715 15.999 > 1 7 O 0.19256315087756 0.50000000000000 0.65210290780715 15.999 > 1 8 O 0.69256315087756 0.50000000000000 0.65210290780715 15.999 > 1 9 O 0.30743684912244 0.30743684912244 0.15210290780715 15.999 > 2 10 O 0.80743684912244 0.30743684912244 0.15210290780715 15.999 > 2 11 O 0.30743684912244 0.80743684912244 0.15210290780715 15.999 > 2 12 O 0.80743684912244 0.80743684912244 0.15210290780715 15.999 > 2 13 O 0.30743684912244 0.30743684912244 0.65210290780715 15.999 > 2 14 O 0.80743684912244 0.30743684912244 0.65210290780715 15.999 > 2 15 O 0.30743684912244 0.80743684912244 0.65210290780715 15.999 > 2 16 O 0.80743684912244 0.80743684912244 0.65210290780715 15.999 > 2 17 O 0.00000000000000 0.19256315087756 0.15210290780715 15.999 > 3 18 O 0.50000000000000 0.19256315087756 0.15210290780715 15.999 > 3 19 O 0.00000000000000 0.69256315087756 0.15210290780715 15.999 > 3 20 O 0.50000000000000 0.69256315087756 0.15210290780715 15.999 > 3 21 O 0.00000000000000 0.19256315087756 0.65210290780715 15.999 > 3 22 O 0.50000000000000 0.19256315087756 0.65210290780715 15.999 > 3 23 O 0.00000000000000 0.69256315087756 0.65210290780715 15.999 > 3 24 O 0.50000000000000 0.69256315087756 0.65210290780715 15.999 > 3 25 O 0.19256315087756 0.19256315087756 0.34789709219285 15.999 > 4 26 O 0.69256315087756 0.19256315087756 0.34789709219285 15.999 > 4 27 O 0.19256315087756 0.69256315087756 0.34789709219285 15.999 > 4 28 O 0.69256315087756 0.69256315087756 0.34789709219285 15.999 > 4 29 O 0.19256315087756 0.19256315087756 0.84789709219285 15.999 > 4 30 O 0.69256315087756 0.19256315087756 0.84789709219285 15.999 > 4 31 O 0.19256315087756 0.69256315087756 0.84789709219285 15.999 > 4 32 O 0.69256315087756 0.69256315087756 0.84789709219285 15.999 > 4 33 O 0.00000000000000 0.30743684912244 0.34789709219285 15.999 > 5 34 O 0.50000000000000 0.30743684912244 0.34789709219285 15.999 > 5 35 O 0.00000000000000 0.80743684912244 0.34789709219285 15.999 > 5 36 O 0.50000000000000 0.80743684912244 0.34789709219285 15.999 > 5 37 O 0.00000000000000 0.30743684912244 0.84789709219285 15.999 > 5 38 O 0.50000000000000 0.30743684912244 0.84789709219285 15.999 > 5 39 O 0.00000000000000 0.80743684912244 0.84789709219285 15.999 > 5 40 O 0.50000000000000 0.80743684912244 0.84789709219285 15.999 > 5 41 O 0.30743684912244 0.00000000000000 0.34789709219285 15.999 > 6 42 O 0.80743684912244 0.00000000000000 0.34789709219285 15.999 > 6 43 O 0.30743684912244 0.50000000000000 0.34789709219285 15.999 > 6 44 O 0.80743684912244 0.50000000000000 0.34789709219285 15.999 > 6 45 O 0.30743684912244 0.00000000000000 0.84789709219285 15.999 > 6 46 O 0.80743684912244 0.00000000000000 0.84789709219285 15.999 > 6 47 O 0.30743684912244 0.50000000000000 0.84789709219285 15.999 > 6 48 O 0.80743684912244 0.50000000000000 0.84789709219285 15.999 > 6 *49 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 7 50 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 7 51 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 7 52 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 7 53 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 7 54 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 7 55 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 7 56 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 7 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 8 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 8 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 8 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 8 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 8 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 8 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 8 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 8 *65 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 9 66 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 9 67 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 9 68 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 9 69 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 9 70 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 9 71 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 9 72 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6531701 0.0000000 0.0000000 0.0000000 3.6531701 0.0000000 0.0000000 0.0000000 3.1211588 -------------------------- Born effective charges -------------------------- 1 O -1.6451363 -0.0000000 -0.3986522 -0.0000000 -2.4648396 0.0000000 -0.4547985 0.0000000 -1.5318552 2 O -2.2599138 0.3549419 0.1993261 0.3549419 -1.8500622 0.3452429 0.2273993 0.3938671 -1.5318552 3 O -2.2599138 -0.3549419 0.1993261 -0.3549419 -1.8500622 -0.3452429 0.2273993 -0.3938671 -1.5318552 4 O -2.2599138 0.3549419 0.1993261 0.3549419 -1.8500622 0.3452429 0.2273993 0.3938671 -1.5318552 5 O -2.2599138 -0.3549419 0.1993261 -0.3549419 -1.8500622 -0.3452429 0.2273993 -0.3938671 -1.5318552 6 O -1.6451363 -0.0000000 -0.3986522 -0.0000000 -2.4648396 0.0000000 -0.4547985 0.0000000 -1.5318552 7 Sb 4.8976472 -0.0000000 0.0000000 -0.0000000 4.8976472 0.0000000 -0.0000000 -0.0000000 2.8417490 8 Sb 4.8976472 -0.0000000 0.0000000 -0.0000000 4.8976472 0.0000000 -0.0000000 -0.0000000 2.8417490 9 Ba 2.5346334 0.0000000 0.0000000 -0.0000000 2.5346334 0.0000000 -0.0000000 -0.0000000 3.5076330 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 180 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 49), data: True |-- (104, 102), data: True |-- (140, 136), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.125 Solver_block: 160 / 160 - Time: 0.094 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.224 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 180 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 49), data: True |-- (104, 102), data: True |-- (140, 136), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:13:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.339365912046476 0.000000000000000 0.000000000000000 b -2.669682956023238 4.624026519932917 0.000000000000000 c 0.000000000000000 0.000000000000000 5.790056660000000 Atomic positions (fractional): 1 O 0.38512630175512 0.00000000000000 0.30420581561431 15.999 2 O 0.61487369824488 0.61487369824488 0.30420581561431 15.999 3 O 0.00000000000000 0.38512630175512 0.30420581561431 15.999 4 O 0.38512630175512 0.38512630175512 0.69579418438569 15.999 5 O 0.00000000000000 0.61487369824488 0.69579418438569 15.999 6 O 0.61487369824488 0.00000000000000 0.69579418438569 15.999 7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.678731824092951 0.000000000000000 0.000000000000000 b -5.339365912046476 9.248053039865834 0.000000000000000 c 0.000000000000000 0.000000000000000 11.580113320000001 Atomic positions (fractional): 1 O 0.19256315087756 0.00000000000000 0.15210290780715 15.999 > 1 2 O 0.69256315087756 0.00000000000000 0.15210290780715 15.999 > 1 3 O 0.19256315087756 0.50000000000000 0.15210290780715 15.999 > 1 4 O 0.69256315087756 0.50000000000000 0.15210290780715 15.999 > 1 5 O 0.19256315087756 0.00000000000000 0.65210290780715 15.999 > 1 6 O 0.69256315087756 0.00000000000000 0.65210290780715 15.999 > 1 7 O 0.19256315087756 0.50000000000000 0.65210290780715 15.999 > 1 8 O 0.69256315087756 0.50000000000000 0.65210290780715 15.999 > 1 9 O 0.30743684912244 0.30743684912244 0.15210290780715 15.999 > 9 10 O 0.80743684912244 0.30743684912244 0.15210290780715 15.999 > 9 11 O 0.30743684912244 0.80743684912244 0.15210290780715 15.999 > 9 12 O 0.80743684912244 0.80743684912244 0.15210290780715 15.999 > 9 13 O 0.30743684912244 0.30743684912244 0.65210290780715 15.999 > 9 14 O 0.80743684912244 0.30743684912244 0.65210290780715 15.999 > 9 15 O 0.30743684912244 0.80743684912244 0.65210290780715 15.999 > 9 16 O 0.80743684912244 0.80743684912244 0.65210290780715 15.999 > 9 17 O 0.00000000000000 0.19256315087756 0.15210290780715 15.999 > 17 18 O 0.50000000000000 0.19256315087756 0.15210290780715 15.999 > 17 19 O 0.00000000000000 0.69256315087756 0.15210290780715 15.999 > 17 20 O 0.50000000000000 0.69256315087756 0.15210290780715 15.999 > 17 21 O 0.00000000000000 0.19256315087756 0.65210290780715 15.999 > 17 22 O 0.50000000000000 0.19256315087756 0.65210290780715 15.999 > 17 23 O 0.00000000000000 0.69256315087756 0.65210290780715 15.999 > 17 24 O 0.50000000000000 0.69256315087756 0.65210290780715 15.999 > 17 25 O 0.19256315087756 0.19256315087756 0.34789709219285 15.999 > 25 26 O 0.69256315087756 0.19256315087756 0.34789709219285 15.999 > 25 27 O 0.19256315087756 0.69256315087756 0.34789709219285 15.999 > 25 28 O 0.69256315087756 0.69256315087756 0.34789709219285 15.999 > 25 29 O 0.19256315087756 0.19256315087756 0.84789709219285 15.999 > 25 30 O 0.69256315087756 0.19256315087756 0.84789709219285 15.999 > 25 31 O 0.19256315087756 0.69256315087756 0.84789709219285 15.999 > 25 32 O 0.69256315087756 0.69256315087756 0.84789709219285 15.999 > 25 33 O 0.00000000000000 0.30743684912244 0.34789709219285 15.999 > 33 34 O 0.50000000000000 0.30743684912244 0.34789709219285 15.999 > 33 35 O 0.00000000000000 0.80743684912244 0.34789709219285 15.999 > 33 36 O 0.50000000000000 0.80743684912244 0.34789709219285 15.999 > 33 37 O 0.00000000000000 0.30743684912244 0.84789709219285 15.999 > 33 38 O 0.50000000000000 0.30743684912244 0.84789709219285 15.999 > 33 39 O 0.00000000000000 0.80743684912244 0.84789709219285 15.999 > 33 40 O 0.50000000000000 0.80743684912244 0.84789709219285 15.999 > 33 41 O 0.30743684912244 0.00000000000000 0.34789709219285 15.999 > 41 42 O 0.80743684912244 0.00000000000000 0.34789709219285 15.999 > 41 43 O 0.30743684912244 0.50000000000000 0.34789709219285 15.999 > 41 44 O 0.80743684912244 0.50000000000000 0.34789709219285 15.999 > 41 45 O 0.30743684912244 0.00000000000000 0.84789709219285 15.999 > 41 46 O 0.80743684912244 0.00000000000000 0.84789709219285 15.999 > 41 47 O 0.30743684912244 0.50000000000000 0.84789709219285 15.999 > 41 48 O 0.80743684912244 0.50000000000000 0.84789709219285 15.999 > 41 49 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 49 50 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 49 51 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 49 52 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 49 53 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 49 54 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 49 55 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 49 56 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 49 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 57 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 57 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 57 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 57 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 57 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 57 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 57 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 57 65 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 65 66 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 65 67 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 65 68 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 65 69 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 65 70 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 65 71 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 65 72 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6531701 0.0000000 0.0000000 0.0000000 3.6531701 0.0000000 0.0000000 0.0000000 3.1211588 -------------------------- Born effective charges -------------------------- 1 O -1.6451363 -0.0000000 -0.3986522 -0.0000000 -2.4648396 0.0000000 -0.4547985 0.0000000 -1.5318552 2 O -2.2599138 0.3549419 0.1993261 0.3549419 -1.8500622 0.3452429 0.2273993 0.3938671 -1.5318552 3 O -2.2599138 -0.3549419 0.1993261 -0.3549419 -1.8500622 -0.3452429 0.2273993 -0.3938671 -1.5318552 4 O -2.2599138 0.3549419 0.1993261 0.3549419 -1.8500622 0.3452429 0.2273993 0.3938671 -1.5318552 5 O -2.2599138 -0.3549419 0.1993261 -0.3549419 -1.8500622 -0.3452429 0.2273993 -0.3938671 -1.5318552 6 O -1.6451363 -0.0000000 -0.3986522 -0.0000000 -2.4648396 0.0000000 -0.4547985 0.0000000 -1.5318552 7 Sb 4.8976472 -0.0000000 0.0000000 -0.0000000 4.8976472 0.0000000 -0.0000000 -0.0000000 2.8417490 8 Sb 4.8976472 -0.0000000 0.0000000 -0.0000000 4.8976472 0.0000000 -0.0000000 -0.0000000 2.8417490 9 Ba 2.5346334 0.0000000 0.0000000 -0.0000000 2.5346334 0.0000000 -0.0000000 -0.0000000 3.5076330 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000186 (yxz) 0.00000186 (yxz) 0.00000186 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000156 (zx) 0.00000156 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:13:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.339365912046476 0.000000000000000 0.000000000000000 b -2.669682956023238 4.624026519932917 0.000000000000000 c 0.000000000000000 0.000000000000000 5.790056660000000 Atomic positions (fractional): 1 O 0.38512630175512 0.00000000000000 0.30420581561431 15.999 2 O 0.61487369824488 0.61487369824488 0.30420581561431 15.999 3 O 0.00000000000000 0.38512630175512 0.30420581561431 15.999 4 O 0.38512630175512 0.38512630175512 0.69579418438569 15.999 5 O 0.00000000000000 0.61487369824488 0.69579418438569 15.999 6 O 0.61487369824488 0.00000000000000 0.69579418438569 15.999 7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.678731824092951 0.000000000000000 0.000000000000000 b -5.339365912046476 9.248053039865834 0.000000000000000 c 0.000000000000000 0.000000000000000 11.580113320000001 Atomic positions (fractional): 1 O 0.19256315087756 0.00000000000000 0.15210290780715 15.999 > 1 2 O 0.69256315087756 0.00000000000000 0.15210290780715 15.999 > 1 3 O 0.19256315087756 0.50000000000000 0.15210290780715 15.999 > 1 4 O 0.69256315087756 0.50000000000000 0.15210290780715 15.999 > 1 5 O 0.19256315087756 0.00000000000000 0.65210290780715 15.999 > 1 6 O 0.69256315087756 0.00000000000000 0.65210290780715 15.999 > 1 7 O 0.19256315087756 0.50000000000000 0.65210290780715 15.999 > 1 8 O 0.69256315087756 0.50000000000000 0.65210290780715 15.999 > 1 9 O 0.30743684912244 0.30743684912244 0.15210290780715 15.999 > 9 10 O 0.80743684912244 0.30743684912244 0.15210290780715 15.999 > 9 11 O 0.30743684912244 0.80743684912244 0.15210290780715 15.999 > 9 12 O 0.80743684912244 0.80743684912244 0.15210290780715 15.999 > 9 13 O 0.30743684912244 0.30743684912244 0.65210290780715 15.999 > 9 14 O 0.80743684912244 0.30743684912244 0.65210290780715 15.999 > 9 15 O 0.30743684912244 0.80743684912244 0.65210290780715 15.999 > 9 16 O 0.80743684912244 0.80743684912244 0.65210290780715 15.999 > 9 17 O 0.00000000000000 0.19256315087756 0.15210290780715 15.999 > 17 18 O 0.50000000000000 0.19256315087756 0.15210290780715 15.999 > 17 19 O 0.00000000000000 0.69256315087756 0.15210290780715 15.999 > 17 20 O 0.50000000000000 0.69256315087756 0.15210290780715 15.999 > 17 21 O 0.00000000000000 0.19256315087756 0.65210290780715 15.999 > 17 22 O 0.50000000000000 0.19256315087756 0.65210290780715 15.999 > 17 23 O 0.00000000000000 0.69256315087756 0.65210290780715 15.999 > 17 24 O 0.50000000000000 0.69256315087756 0.65210290780715 15.999 > 17 25 O 0.19256315087756 0.19256315087756 0.34789709219285 15.999 > 25 26 O 0.69256315087756 0.19256315087756 0.34789709219285 15.999 > 25 27 O 0.19256315087756 0.69256315087756 0.34789709219285 15.999 > 25 28 O 0.69256315087756 0.69256315087756 0.34789709219285 15.999 > 25 29 O 0.19256315087756 0.19256315087756 0.84789709219285 15.999 > 25 30 O 0.69256315087756 0.19256315087756 0.84789709219285 15.999 > 25 31 O 0.19256315087756 0.69256315087756 0.84789709219285 15.999 > 25 32 O 0.69256315087756 0.69256315087756 0.84789709219285 15.999 > 25 33 O 0.00000000000000 0.30743684912244 0.34789709219285 15.999 > 33 34 O 0.50000000000000 0.30743684912244 0.34789709219285 15.999 > 33 35 O 0.00000000000000 0.80743684912244 0.34789709219285 15.999 > 33 36 O 0.50000000000000 0.80743684912244 0.34789709219285 15.999 > 33 37 O 0.00000000000000 0.30743684912244 0.84789709219285 15.999 > 33 38 O 0.50000000000000 0.30743684912244 0.84789709219285 15.999 > 33 39 O 0.00000000000000 0.80743684912244 0.84789709219285 15.999 > 33 40 O 0.50000000000000 0.80743684912244 0.84789709219285 15.999 > 33 41 O 0.30743684912244 0.00000000000000 0.34789709219285 15.999 > 41 42 O 0.80743684912244 0.00000000000000 0.34789709219285 15.999 > 41 43 O 0.30743684912244 0.50000000000000 0.34789709219285 15.999 > 41 44 O 0.80743684912244 0.50000000000000 0.34789709219285 15.999 > 41 45 O 0.30743684912244 0.00000000000000 0.84789709219285 15.999 > 41 46 O 0.80743684912244 0.00000000000000 0.84789709219285 15.999 > 41 47 O 0.30743684912244 0.50000000000000 0.84789709219285 15.999 > 41 48 O 0.80743684912244 0.50000000000000 0.84789709219285 15.999 > 41 49 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 49 50 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 49 51 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 49 52 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 49 53 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 49 54 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 49 55 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 49 56 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 49 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 57 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 57 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 57 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 57 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 57 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 57 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 57 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 57 65 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 65 66 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 65 67 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 65 68 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 65 69 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 65 70 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 65 71 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 65 72 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6531701 0.0000000 0.0000000 0.0000000 3.6531701 0.0000000 0.0000000 0.0000000 3.1211588 -------------------------- Born effective charges -------------------------- 1 O -1.6451363 -0.0000000 -0.3986522 -0.0000000 -2.4648396 0.0000000 -0.4547985 0.0000000 -1.5318552 2 O -2.2599138 0.3549419 0.1993261 0.3549419 -1.8500622 0.3452429 0.2273993 0.3938671 -1.5318552 3 O -2.2599138 -0.3549419 0.1993261 -0.3549419 -1.8500622 -0.3452429 0.2273993 -0.3938671 -1.5318552 4 O -2.2599138 0.3549419 0.1993261 0.3549419 -1.8500622 0.3452429 0.2273993 0.3938671 -1.5318552 5 O -2.2599138 -0.3549419 0.1993261 -0.3549419 -1.8500622 -0.3452429 0.2273993 -0.3938671 -1.5318552 6 O -1.6451363 -0.0000000 -0.3986522 -0.0000000 -2.4648396 0.0000000 -0.4547985 0.0000000 -1.5318552 7 Sb 4.8976472 -0.0000000 0.0000000 -0.0000000 4.8976472 0.0000000 -0.0000000 -0.0000000 2.8417490 8 Sb 4.8976472 -0.0000000 0.0000000 -0.0000000 4.8976472 0.0000000 -0.0000000 -0.0000000 2.8417490 9 Ba 2.5346334 0.0000000 0.0000000 -0.0000000 2.5346334 0.0000000 -0.0000000 -0.0000000 3.5076330 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000186 (yxz) 0.00000186 (yxz) 0.00000186 (yzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.79, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 120 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 2.771 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 14.809 ( 0.000 0.000 0.000) 0.000 14.809 ( 0.000 0.000 0.000) 0.000 15.035 ( 0.000 0.000 0.000) 0.000 15.035 ( 0.000 0.000 0.000) 0.000 16.058 ( 0.000 0.000 0.000) 0.000 16.058 ( 0.000 0.000 0.000) 0.000 17.223 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 0.000 0.000) 0.000 19.228 ( 0.000 0.000 0.000) 0.000 19.277 ( 0.000 0.000 0.000) 0.000 19.277 ( 0.000 0.000 0.000) 0.000 19.281 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 18.239 10.530 0.000) 21.061 0.604 ( 26.524 15.314 0.000) 30.628 1.196 ( 51.090 29.497 0.000) 58.994 2.704 ( -5.617 -3.243 0.000) 6.486 3.187 ( -0.182 -0.105 0.000) 0.210 3.328 ( -2.209 -1.276 0.000) 2.551 4.506 ( -0.438 -0.253 0.000) 0.506 5.746 ( 0.006 0.003 0.000) 0.007 5.765 ( 1.676 0.967 0.000) 1.935 7.416 ( -2.047 -1.182 0.000) 2.364 7.810 ( -5.592 -3.229 0.000) 6.457 8.482 ( -3.725 -2.150 0.000) 4.301 9.048 ( -11.327 -6.539 0.000) 13.079 9.259 ( 5.852 3.379 0.000) 6.757 9.794 ( 5.554 3.207 0.000) 6.413 14.802 ( -0.577 -0.333 0.000) 0.666 14.853 ( 3.724 2.150 0.000) 4.301 15.105 ( 6.071 3.505 0.000) 7.011 15.726 ( 6.151 3.551 0.000) 7.103 16.040 ( -1.488 -0.859 0.000) 1.719 17.191 ( -2.751 -1.588 0.000) 3.176 17.748 ( -1.894 -1.093 0.000) 2.187 19.196 ( -3.303 -1.907 0.000) 3.814 19.253 ( -0.888 -0.512 0.000) 1.025 19.267 ( -0.874 -0.504 0.000) 1.009 19.305 ( 1.381 0.797 0.000) 1.594 19.846 ( -0.043 -0.025 0.000) 0.050 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 16.505 9.529 0.000) 19.059 1.203 ( 26.220 15.138 0.000) 30.276 2.230 ( 35.370 20.421 0.000) 40.841 2.535 ( -8.832 -5.099 0.000) 10.198 3.261 ( 11.096 6.406 0.000) 12.813 3.275 ( -1.918 -1.107 0.000) 2.215 4.466 ( -3.580 -2.067 0.000) 4.133 5.748 ( 0.236 0.136 0.000) 0.273 5.824 ( 3.600 2.079 0.000) 4.157 7.361 ( -2.413 -1.393 0.000) 2.787 7.629 ( -10.061 -5.809 0.000) 11.617 8.368 ( -6.105 -3.525 0.000) 7.049 8.705 ( -18.506 -10.684 0.000) 21.369 9.424 ( 8.166 4.714 0.000) 9.429 9.939 ( 6.883 3.974 0.000) 7.947 14.785 ( -0.886 -0.512 0.000) 1.023 14.965 ( 5.786 3.340 0.000) 6.681 15.303 ( 10.998 6.349 0.000) 12.699 15.923 ( 10.820 6.247 0.000) 12.494 16.000 ( -1.692 -0.977 0.000) 1.954 17.102 ( -4.908 -2.834 0.000) 5.667 17.680 ( -4.150 -2.396 0.000) 4.792 19.082 ( -6.344 -3.663 0.000) 7.325 19.239 ( -1.464 -0.845 0.000) 1.691 19.240 ( -0.397 -0.229 0.000) 0.458 19.343 ( 1.914 1.105 0.000) 2.210 19.839 ( -0.676 -0.390 0.000) 0.781 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 13.252 7.651 0.000) 15.302 1.794 ( 25.782 14.885 0.000) 29.771 2.322 ( -9.679 -5.588 0.000) 11.176 2.597 ( 1.148 0.663 0.000) 1.326 3.257 ( 0.466 0.269 0.000) 0.538 3.891 ( 40.246 23.236 0.000) 46.472 4.324 ( -9.191 -5.307 0.000) 10.613 5.762 ( 1.066 0.616 0.000) 1.231 5.929 ( 5.634 3.253 0.000) 6.506 7.321 ( -0.769 -0.444 0.000) 0.889 7.368 ( -12.591 -7.270 0.000) 14.539 8.208 ( -7.903 -4.563 0.000) 9.125 8.219 ( -24.076 -13.900 0.000) 27.800 9.607 ( 7.567 4.369 0.000) 8.737 10.093 ( 6.455 3.727 0.000) 7.453 14.764 ( -0.861 -0.497 0.000) 0.994 15.099 ( 5.609 3.238 0.000) 6.477 15.573 ( 11.796 6.810 0.000) 13.620 15.988 ( 1.451 0.838 0.000) 1.676 16.197 ( 12.820 7.402 0.000) 14.804 16.978 ( -5.765 -3.328 0.000) 6.657 17.557 ( -6.729 -3.885 0.000) 7.770 18.920 ( -7.663 -4.424 0.000) 8.849 19.204 ( -1.585 -0.915 0.000) 1.830 19.233 ( -0.180 -0.104 0.000) 0.208 19.388 ( 1.902 1.098 0.000) 2.196 19.815 ( -1.386 -0.800 0.000) 1.601 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 10.411 6.011 0.000) 12.021 2.097 ( -9.482 -5.474 0.000) 10.949 2.372 ( 24.228 13.988 0.000) 27.977 2.527 ( -4.787 -2.763 0.000) 5.527 3.288 ( 1.733 1.001 0.000) 2.001 4.053 ( -14.203 -8.200 0.000) 16.401 4.847 ( 41.592 24.013 0.000) 48.026 5.793 ( 1.466 0.846 0.000) 1.692 6.073 ( 6.617 3.820 0.000) 7.641 7.077 ( -12.446 -7.186 0.000) 14.372 7.337 ( 2.154 1.243 0.000) 2.487 7.626 ( -27.702 -15.994 0.000) 31.988 8.017 ( -8.620 -4.977 0.000) 9.954 9.755 ( 5.184 2.993 0.000) 5.986 10.222 ( 4.635 2.676 0.000) 5.352 14.747 ( -0.597 -0.345 0.000) 0.690 15.202 ( 3.200 1.848 0.000) 3.695 15.784 ( 6.383 3.685 0.000) 7.370 16.098 ( 7.608 4.392 0.000) 8.785 16.476 ( 11.047 6.378 0.000) 12.756 16.863 ( -3.631 -2.096 0.000) 4.193 17.378 ( -8.857 -5.114 0.000) 10.227 18.749 ( -6.965 -4.021 0.000) 8.043 19.171 ( -1.205 -0.696 0.000) 1.391 19.231 ( 0.015 0.009 0.000) 0.018 19.426 ( 1.377 0.795 0.000) 1.590 19.781 ( -1.464 -0.845 0.000) 1.690 ======================= Grid point 5 (6/120) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 8.676 5.009 0.000) 10.018 1.884 ( -8.735 -5.043 0.000) 10.086 2.438 ( -2.335 -1.348 0.000) 2.696 2.865 ( 16.758 9.675 0.000) 19.351 3.301 ( -1.395 -0.805 0.000) 1.610 3.735 ( -10.994 -6.347 0.000) 12.695 5.703 ( 31.024 17.912 0.000) 35.823 5.819 ( 0.680 0.392 0.000) 0.785 6.170 ( -1.343 -0.775 0.000) 1.551 6.849 ( -5.267 -3.041 0.000) 6.082 7.026 ( -21.639 -12.493 0.000) 24.987 7.403 ( 2.720 1.570 0.000) 3.141 7.848 ( -5.102 -2.946 0.000) 5.891 9.835 ( 1.832 1.058 0.000) 2.115 10.295 ( 1.692 0.977 0.000) 1.954 14.738 ( -0.211 -0.122 0.000) 0.244 15.245 ( 0.781 0.451 0.000) 0.902 15.885 ( 2.558 1.477 0.000) 2.954 16.240 ( 3.309 1.911 0.000) 3.821 16.662 ( 4.581 2.645 0.000) 5.289 16.847 ( 1.943 1.122 0.000) 2.244 17.182 ( -6.875 -3.969 0.000) 7.939 18.629 ( -3.036 -1.753 0.000) 3.506 19.152 ( -0.448 -0.259 0.000) 0.518 19.232 ( 0.047 0.027 0.000) 0.054 19.447 ( 0.505 0.291 0.000) 0.583 19.756 ( -0.639 -0.369 0.000) 0.738 ======================= Grid point 12 (7/120) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 11.946 20.691 4.139) 24.248 1.007 ( 14.723 25.501 10.714) 31.334 1.983 ( 24.414 42.287 -8.855) 49.625 2.591 ( -4.508 -7.808 -4.829) 10.227 3.204 ( 1.920 3.325 5.505) 6.711 3.291 ( -0.850 -1.472 -0.978) 1.961 4.486 ( -1.258 -2.179 -0.624) 2.592 5.748 ( -0.124 -0.215 1.177) 1.203 5.801 ( 1.827 3.164 0.035) 3.654 7.378 ( -1.360 -2.355 -0.161) 2.725 7.688 ( -5.103 -8.839 -0.452) 10.217 8.346 ( -6.179 -10.703 -1.526) 12.453 9.071 ( -2.381 -4.125 1.850) 5.109 9.129 ( -1.521 -2.635 0.284) 3.056 9.941 ( 5.523 9.565 -1.174) 11.107 14.721 ( -1.906 -3.301 1.908) 4.262 15.049 ( 6.613 11.454 0.086) 13.227 15.192 ( 3.785 6.555 -0.421) 7.581 15.863 ( 5.808 10.060 -0.069) 11.616 16.008 ( -1.269 -2.198 0.441) 2.576 17.130 ( -2.592 -4.489 1.614) 5.428 17.703 ( -2.027 -3.510 -0.224) 4.059 19.121 ( -3.182 -5.511 8.350) 10.498 19.233 ( -0.905 -1.568 -1.482) 2.339 19.252 ( -0.164 -0.283 -3.048) 3.066 19.339 ( 1.197 2.073 0.047) 2.394 19.838 ( -0.533 -0.924 -5.994) 6.088 ======================= Grid point 13 (8/120) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 6.796 23.073 4.797) 24.526 1.550 ( 21.770 19.396 7.368) 30.073 2.417 ( -7.307 -5.736 -5.129) 10.612 2.560 ( 7.780 8.941 -5.618) 13.116 3.238 ( 0.585 -1.900 -1.190) 2.317 3.563 ( 24.585 25.449 3.795) 35.588 4.400 ( -5.281 -4.851 -1.346) 7.296 5.743 ( 0.419 -0.889 0.465) 1.087 5.889 ( 3.847 4.711 0.272) 6.088 7.330 ( -1.972 -2.393 1.323) 3.372 7.481 ( -8.305 -7.863 -2.097) 11.628 8.079 ( -7.290 -20.606 -1.833) 21.934 8.758 ( -26.699 9.323 1.769) 28.336 9.288 ( 19.366 -14.264 1.353) 24.090 10.127 ( 3.529 11.867 -0.974) 12.419 14.676 ( 1.754 -6.096 1.245) 6.464 15.216 ( -2.472 16.728 -0.308) 16.912 15.419 ( 14.019 6.075 0.184) 15.280 15.969 ( -0.250 -2.073 1.058) 2.341 16.105 ( 9.343 11.854 1.267) 15.147 17.021 ( -4.303 -5.295 1.889) 7.079 17.607 ( -4.394 -5.117 -0.540) 6.766 18.990 ( -5.593 -5.370 8.644) 11.612 19.199 ( -0.829 -2.467 -1.356) 2.935 19.248 ( -0.425 0.450 -5.448) 5.483 19.381 ( 1.102 2.381 0.386) 2.652 19.810 ( -0.654 -2.544 -5.692) 6.269 ======================= Grid point 14 (9/120) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 2.473 21.745 4.065) 22.260 2.090 ( 20.859 9.108 5.818) 23.493 2.251 ( -7.851 4.433 -2.447) 9.342 2.582 ( -3.185 -1.495 -3.352) 4.860 3.254 ( 2.703 -0.462 -1.825) 3.294 4.192 ( -10.020 -6.843 -1.757) 12.260 4.409 ( 36.331 26.610 0.161) 45.033 5.751 ( 2.083 -1.684 -0.542) 2.733 6.019 ( 5.169 5.622 0.538) 7.656 7.170 ( -8.930 -10.664 2.303) 14.098 7.372 ( -2.252 3.914 -2.675) 5.248 7.687 ( -11.109 -26.251 -1.761) 28.560 8.397 ( -26.058 9.463 2.070) 27.800 9.464 ( 17.589 -14.743 1.596) 23.006 10.286 ( 1.058 12.098 -0.509) 12.155 14.653 ( 3.239 -7.441 0.317) 8.122 15.323 ( -3.612 15.395 -0.195) 15.815 15.702 ( 9.502 6.713 0.653) 11.653 15.997 ( 6.236 0.175 0.873) 6.299 16.389 ( 9.690 11.681 3.370) 15.547 16.893 ( -4.096 -5.099 1.980) 6.833 17.453 ( -6.803 -6.743 -0.786) 9.610 18.835 ( -6.952 -3.922 5.284) 9.572 19.159 ( -0.420 -3.166 -0.187) 3.199 19.248 ( -0.521 1.204 -6.397) 6.530 19.420 ( 0.844 1.983 0.320) 2.179 19.769 ( -0.324 -3.820 -4.141) 5.643 ======================= Grid point 15 (10/120) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.148 17.481 2.691) 17.725 2.053 ( -10.887 2.363 -1.445) 11.233 2.412 ( 0.851 -4.576 9.430) 10.516 2.709 ( 14.882 16.179 -6.293) 22.866 3.306 ( 2.384 1.233 -1.989) 3.341 3.882 ( -14.824 -9.170 -2.169) 17.566 5.282 ( 36.848 18.818 -1.176) 41.392 5.774 ( 2.769 -2.522 -1.286) 3.960 6.153 ( 3.699 3.493 0.633) 5.127 6.912 ( -8.635 -8.866 1.237) 12.438 7.144 ( -15.066 -24.215 -1.363) 28.552 7.482 ( -0.122 10.250 -0.197) 10.253 8.072 ( -20.223 5.719 1.643) 21.080 9.586 ( 14.308 -16.070 1.660) 21.581 10.393 ( -1.886 10.946 -0.102) 11.108 14.639 ( 3.998 -7.926 -0.353) 8.884 15.385 ( -5.887 13.662 0.156) 14.878 15.853 ( 3.753 3.547 1.191) 5.299 16.162 ( 8.239 2.023 0.053) 8.484 16.632 ( 5.859 8.938 5.780) 12.150 16.815 ( 0.504 -2.538 1.882) 3.200 17.253 ( -7.727 -7.492 -0.817) 10.794 18.694 ( -5.874 -1.291 1.391) 6.173 19.127 ( 0.590 -3.433 1.108) 3.655 19.253 ( -0.735 1.802 -6.709) 6.985 19.446 ( 0.371 1.176 -0.314) 1.272 19.731 ( 0.645 -4.159 -2.563) 4.928 ======================= Grid point 16 (11/120) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -1.232 2.134 2.014) 3.182 1.918 ( -10.889 18.859 -0.422) 21.781 2.377 ( 2.258 -3.912 5.710) 7.280 2.998 ( -1.293 2.240 -1.807) 3.155 3.342 ( -3.087 5.346 -3.596) 7.144 3.637 ( 1.773 -3.070 -1.872) 4.009 5.786 ( 1.956 -3.387 -1.619) 4.233 5.858 ( 3.872 -6.706 -2.429) 8.115 6.127 ( 0.006 -0.010 0.668) 0.668 6.785 ( 3.491 -6.046 -0.714) 7.017 6.806 ( 2.181 -3.778 1.742) 4.697 7.576 ( -7.951 13.772 1.069) 15.938 7.889 ( -3.891 6.740 0.760) 7.819 9.630 ( 10.439 -18.081 1.664) 20.945 10.432 ( -5.257 9.106 0.057) 10.515 14.634 ( 4.550 -7.882 -0.587) 9.120 15.400 ( -7.284 12.617 0.389) 14.574 15.908 ( -0.566 0.980 0.927) 1.462 16.241 ( 0.992 -1.717 0.262) 2.000 16.732 ( -2.360 4.088 8.074) 9.353 16.840 ( 1.253 -2.171 0.330) 2.528 17.114 ( 1.415 -2.450 -0.587) 2.890 18.633 ( -1.269 2.198 -0.420) 2.572 19.115 ( 1.785 -3.092 1.649) 3.932 19.256 ( -1.109 1.921 -6.773) 7.127 19.455 ( -0.279 0.484 -0.771) 0.952 19.715 ( 2.078 -3.599 -1.812) 4.534 ======================= Grid point 25 (12/120) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 11.911 20.631 6.133) 24.600 1.903 ( 7.982 13.826 7.001) 17.432 2.368 ( 2.138 3.704 -4.400) 6.136 2.602 ( -1.342 -2.324 -3.215) 4.188 3.214 ( -0.071 -0.123 -2.793) 2.796 4.198 ( 20.944 36.276 0.830) 41.896 4.264 ( -5.352 -9.270 -2.532) 10.999 5.720 ( -0.614 -1.063 -0.559) 1.349 6.003 ( 3.797 6.576 0.725) 7.628 7.191 ( -6.453 -11.177 2.649) 13.175 7.426 ( 1.383 2.395 -3.175) 4.211 7.637 ( -13.905 -24.083 -2.066) 27.886 8.939 ( -1.935 -3.352 2.141) 4.423 8.968 ( -3.406 -5.899 2.079) 7.121 10.342 ( 5.556 9.623 -0.505) 11.123 14.580 ( -2.175 -3.768 0.566) 4.388 15.494 ( 4.833 8.371 0.534) 9.681 15.608 ( 8.852 15.331 -0.679) 17.716 15.933 ( -0.533 -0.923 2.145) 2.395 16.366 ( 8.135 14.090 4.295) 16.827 16.903 ( -3.707 -6.421 2.917) 7.967 17.477 ( -4.662 -8.075 -1.107) 9.389 18.881 ( -3.239 -5.609 9.665) 11.634 19.144 ( -1.781 -3.085 -2.971) 4.639 19.259 ( 0.434 0.751 -7.708) 7.756 19.426 ( 1.191 2.063 0.916) 2.552 19.746 ( -2.158 -3.737 -6.933) 8.166 ======================= Grid point 26 (13/120) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -3.762 14.738 5.594) 16.207 2.081 ( 9.133 -1.043 4.315) 10.155 2.501 ( -6.857 8.870 1.484) 11.309 2.656 ( 11.206 15.309 -4.597) 19.521 3.241 ( 3.940 -0.844 -2.991) 5.018 4.025 ( -11.524 -10.022 -3.224) 15.609 4.919 ( 27.366 24.398 -1.693) 36.702 5.708 ( 1.188 -2.310 -1.843) 3.185 6.131 ( 3.664 5.108 1.144) 6.389 6.958 ( -7.593 -10.462 1.896) 13.065 7.141 ( -14.284 -25.682 -2.274) 29.475 7.545 ( 4.529 10.761 -0.955) 11.714 8.568 ( -27.747 7.636 2.576) 28.894 9.114 ( 19.198 -20.073 2.405) 27.880 10.498 ( 1.859 9.044 0.170) 9.235 14.523 ( 0.740 -5.495 -0.258) 5.550 15.613 ( -2.429 12.787 0.286) 13.018 15.853 ( 1.738 8.628 1.345) 8.903 16.005 ( 11.220 1.044 0.663) 11.288 16.628 ( 6.723 11.691 7.245) 15.309 16.791 ( -1.943 -4.650 4.559) 6.796 17.293 ( -6.657 -9.464 -1.412) 11.656 18.776 ( -4.460 -1.818 5.259) 7.132 19.083 ( -0.668 -4.549 -2.213) 5.102 19.278 ( 0.180 1.872 -9.002) 9.197 19.458 ( 0.217 1.705 0.631) 1.831 19.674 ( -0.591 -5.496 -5.719) 7.954 ======================= Grid point 27 (14/120) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -2.537 3.830 3.755) 5.933 2.170 ( 2.085 -0.762 6.206) 6.591 2.473 ( -11.200 18.877 0.195) 21.951 2.999 ( 6.969 11.525 -3.316) 13.870 3.357 ( 9.779 4.370 -3.071) 11.143 3.688 ( -15.107 -10.678 -3.456) 18.820 5.561 ( 25.026 9.722 -2.997) 27.015 5.710 ( 2.197 -3.492 -2.714) 4.939 6.156 ( -4.097 -5.218 0.768) 6.679 6.715 ( -5.673 -12.495 -1.555) 13.810 6.776 ( -4.204 -8.361 1.650) 9.503 7.787 ( 5.073 19.930 1.253) 20.604 8.179 ( -23.714 4.678 2.298) 24.280 9.203 ( 15.491 -22.119 2.538) 27.123 10.580 ( -1.888 7.510 0.605) 7.767 14.496 ( 2.696 -6.083 -0.723) 6.693 15.661 ( -6.646 13.211 0.348) 14.792 15.930 ( 0.682 4.339 2.060) 4.851 16.173 ( 5.426 -1.036 0.264) 5.530 16.768 ( 4.080 -0.099 0.054) 4.081 16.810 ( 0.760 6.718 14.636) 16.122 17.090 ( -4.676 -8.773 -1.167) 10.010 18.705 ( -3.822 2.482 -0.002) 4.557 19.041 ( 1.678 -5.251 -0.458) 5.532 19.297 ( -0.802 2.709 -9.675) 10.079 19.467 ( -0.430 0.903 -0.780) 1.268 19.628 ( 1.975 -5.853 -3.469) 7.084 ======================= Grid point 37 (15/120) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -0.192 -0.332 3.267) 3.289 2.099 ( -0.528 -0.915 10.094) 10.149 2.738 ( 8.752 15.158 -6.125) 18.544 3.020 ( 9.983 17.292 0.339) 19.969 3.221 ( -0.285 -0.493 -3.592) 3.637 3.790 ( -8.028 -13.904 -3.289) 16.389 5.368 ( 12.469 21.598 -3.282) 25.154 5.670 ( -0.826 -1.431 -3.121) 3.531 6.162 ( -2.915 -5.049 1.003) 5.915 6.704 ( -8.599 -14.893 -2.312) 17.352 6.773 ( -4.706 -8.150 1.701) 9.564 7.835 ( 10.512 18.207 1.144) 21.055 8.659 ( -5.499 -9.524 3.420) 11.517 8.719 ( -5.050 -8.747 2.436) 10.390 10.634 ( 2.703 4.681 0.835) 5.470 14.441 ( -1.650 -2.858 -0.733) 3.381 15.803 ( 3.731 6.463 0.681) 7.494 15.977 ( 1.833 3.174 2.887) 4.666 16.075 ( 3.025 5.239 -0.573) 6.076 16.724 ( 0.410 0.711 0.137) 0.832 16.840 ( 4.286 7.423 17.022) 19.058 17.088 ( -6.284 -10.884 -1.534) 12.661 18.767 ( 0.435 0.753 1.710) 1.918 18.987 ( -2.782 -4.818 -2.813) 6.234 19.321 ( 1.401 2.426 -11.020) 11.370 19.482 ( 0.386 0.669 0.604) 0.981 19.569 ( -2.685 -4.650 -5.149) 7.439 ======================= Grid point 38 (16/120) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -2.127 3.685 5.313) 6.807 2.074 ( 3.228 -5.591 7.623) 9.990 2.932 ( -12.508 21.664 -3.602) 25.274 3.134 ( -2.133 3.694 -3.803) 5.715 3.350 ( 7.041 -12.196 -3.985) 14.636 3.551 ( -0.746 1.292 -0.875) 1.730 5.656 ( 0.953 -1.651 -3.682) 4.147 5.695 ( -2.736 4.740 -3.287) 6.384 5.966 ( 5.603 -9.704 -1.105) 11.260 6.606 ( 0.088 -0.153 -0.398) 0.435 6.669 ( 2.005 -3.473 1.211) 4.189 8.224 ( -9.254 16.029 2.600) 18.690 8.254 ( -6.022 10.430 2.742) 12.352 8.736 ( 14.418 -24.973 2.979) 28.990 10.680 ( -1.496 2.591 1.096) 3.186 14.412 ( 1.275 -2.209 -0.894) 2.702 15.865 ( -3.657 6.334 0.618) 7.340 16.018 ( -2.469 4.276 2.194) 5.403 16.122 ( 2.204 -3.818 1.013) 4.524 16.781 ( -1.227 2.126 -0.011) 2.455 16.915 ( -0.944 1.636 13.967) 14.094 16.931 ( 2.982 -5.164 3.405) 6.867 18.785 ( -2.899 5.021 -1.469) 5.981 18.927 ( 3.390 -5.872 -1.794) 7.013 19.354 ( -1.502 2.601 -12.999) 13.341 19.481 ( -0.335 0.581 -0.851) 1.084 19.521 ( 2.484 -4.303 -2.086) 5.389 ======================= Grid point 133 (17/120) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 0.000 25.014) 25.014 0.489 ( -0.000 -0.000 25.014) 25.014 0.828 ( 0.000 -0.000 42.084) 42.084 2.736 ( 0.000 -0.000 -3.608) 3.608 2.736 ( 0.000 -0.000 -3.608) 3.608 4.519 ( 0.000 -0.000 1.107) 1.107 4.563 ( 0.000 0.000 -1.441) 1.441 5.713 ( -0.000 0.000 -3.338) 3.338 5.713 ( -0.000 -0.000 -3.338) 3.338 7.488 ( 0.000 -0.000 -1.377) 1.377 7.857 ( 0.000 -0.000 -1.840) 1.840 8.544 ( -0.000 0.000 1.748) 1.748 8.544 ( 0.000 0.000 1.748) 1.748 9.184 ( 0.000 0.000 -0.320) 0.320 9.184 ( 0.000 -0.000 -0.320) 0.320 14.789 ( 0.000 0.000 -1.735) 1.735 14.789 ( 0.000 -0.000 -1.735) 1.735 15.091 ( 0.000 0.000 5.368) 5.368 15.091 ( 0.000 -0.000 5.368) 5.368 16.065 ( 0.000 0.000 0.631) 0.631 16.065 ( 0.000 -0.000 0.631) 0.631 17.775 ( 0.000 0.000 0.617) 0.617 19.228 ( 0.000 0.000 -0.060) 0.060 19.261 ( 0.000 0.000 -1.643) 1.643 19.261 ( 0.000 -0.000 -1.643) 1.643 19.277 ( 0.000 0.000 -0.441) 0.441 20.075 ( 0.000 0.000 0.078) 0.078 ======================= Grid point 134 (18/120) ======================= q-point: ( 0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 10.451 29.914 9.860) 33.186 0.788 ( 6.524 9.471 27.557) 29.861 1.384 ( 48.961 11.651 18.060) 53.470 2.664 ( -1.106 -10.341 -4.557) 11.355 2.944 ( 7.537 12.468 -8.449) 16.842 3.801 ( -27.997 -16.476 22.696) 39.628 4.514 ( -0.459 -0.711 0.831) 1.186 5.727 ( 1.074 0.840 -3.045) 3.337 5.746 ( 0.151 2.325 -1.452) 2.745 7.420 ( -2.665 -1.964 0.251) 3.320 7.769 ( -5.488 -3.459 -3.614) 7.426 8.497 ( -2.500 -4.616 1.531) 5.468 9.008 ( -9.659 -3.302 -4.382) 11.109 9.254 ( 4.421 6.394 -0.620) 7.798 9.486 ( 28.035 12.030 -18.885) 35.879 14.778 ( -3.038 4.602 -2.031) 5.877 14.858 ( 5.422 0.989 0.067) 5.512 15.150 ( 5.929 1.908 4.515) 7.693 15.602 ( 15.583 7.793 -9.999) 20.088 16.047 ( -1.619 -0.570 0.662) 1.839 16.595 ( 30.347 18.997 -28.061) 45.489 17.754 ( -1.850 -1.217 0.590) 2.292 19.161 ( -8.332 -0.232 -2.543) 8.715 19.242 ( 0.176 -2.103 -1.147) 2.402 19.283 ( 0.953 2.246 0.261) 2.454 19.302 ( 1.729 0.851 -0.462) 1.982 19.899 ( -6.103 -9.280 2.844) 11.465 ======================= Grid point 135 (19/120) ======================= q-point: ( 0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 7.290 12.962 17.896) 23.268 1.217 ( 18.609 22.583 1.767) 29.316 2.282 ( 35.892 8.367 5.292) 37.233 2.508 ( -3.874 -10.328 -2.819) 11.385 3.214 ( 12.586 13.409 -4.060) 18.834 3.411 ( -7.975 -3.545 11.744) 14.632 4.470 ( -3.153 -3.178 0.350) 4.491 5.749 ( -0.014 1.578 -0.255) 1.598 5.794 ( 3.364 2.148 -2.941) 4.957 7.354 ( -3.031 -1.587 -0.735) 3.500 7.597 ( -8.781 -6.326 -3.023) 11.237 8.379 ( -4.372 -7.188 1.064) 8.481 8.687 ( -19.974 -7.274 -1.801) 21.334 9.422 ( 7.120 6.715 -0.211) 9.789 9.871 ( 12.577 4.685 -6.061) 14.727 14.769 ( -2.288 2.716 -1.465) 3.841 14.984 ( 6.973 2.156 1.660) 7.485 15.332 ( 10.555 6.143 3.017) 12.579 15.861 ( 10.383 6.276 -5.600) 13.363 16.008 ( -1.977 -0.088 0.791) 2.132 17.003 ( 6.355 6.007 -8.309) 12.063 17.686 ( -3.937 -2.777 0.555) 4.850 18.983 ( -11.843 0.948 -6.977) 13.778 19.218 ( -0.329 -2.487 -1.364) 2.856 19.314 ( 0.732 0.014 3.283) 3.363 19.341 ( 1.858 1.144 -0.031) 2.182 19.782 ( 1.309 -7.974 -4.019) 9.025 ======================= Grid point 136 (20/120) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 7.843 11.306 10.582) 17.359 1.747 ( 18.987 18.453 -4.740) 26.898 2.306 ( -5.659 -8.990 -1.098) 10.679 2.638 ( 4.314 -1.382 3.708) 5.854 3.258 ( -0.153 -2.557 -0.550) 2.620 3.932 ( 38.196 24.574 4.375) 45.628 4.326 ( -8.207 -6.909 0.202) 10.730 5.768 ( 1.118 0.754 0.531) 1.449 5.899 ( 5.568 3.696 -2.973) 7.314 7.266 ( -8.569 -1.482 -4.439) 9.764 7.391 ( -4.025 -6.673 1.299) 7.901 8.176 ( -8.684 -27.233 -2.109) 28.662 8.243 ( -23.445 8.839 1.232) 25.086 9.608 ( 6.521 6.545 0.071) 9.239 10.084 ( 8.591 3.065 -0.935) 9.169 14.756 ( -1.296 0.872 -0.840) 1.774 15.119 ( 5.770 2.298 1.877) 6.488 15.603 ( 12.134 7.535 3.009) 14.596 15.992 ( 0.684 2.050 0.287) 2.180 16.114 ( 9.964 8.139 -7.374) 14.829 17.048 ( -2.939 0.998 6.313) 7.035 17.563 ( -6.297 -4.504 0.610) 7.766 18.803 ( -9.887 0.762 -9.993) 14.078 19.181 ( -1.144 -2.506 -1.698) 3.236 19.310 ( 0.948 -2.998 5.039) 5.939 19.386 ( 1.704 1.325 -0.171) 2.165 19.750 ( 2.086 -5.590 -5.751) 8.287 ======================= Grid point 137 (21/120) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 7.197 8.395 6.709) 12.934 2.055 ( -2.931 -2.132 -7.076) 7.950 2.245 ( 4.921 9.497 -4.893) 11.762 2.662 ( 6.779 -0.928 8.524) 10.930 3.277 ( 3.220 -0.492 -1.187) 3.467 4.057 ( -13.074 -10.145 0.361) 16.553 4.859 ( 40.525 22.793 1.186) 46.510 5.800 ( 1.995 -0.101 0.654) 2.101 6.048 ( 6.489 4.574 -2.524) 8.331 7.022 ( -12.836 -5.266 -4.924) 14.722 7.368 ( 3.015 -0.703 2.614) 4.052 7.608 ( -25.993 -17.819 -1.669) 31.558 8.026 ( -10.591 -2.267 0.836) 10.863 9.759 ( 4.148 5.188 0.452) 6.657 10.229 ( 5.533 2.025 0.743) 5.939 14.744 ( -0.408 -0.286 -0.364) 0.617 15.211 ( 2.699 1.457 0.878) 3.191 15.836 ( 6.803 5.092 5.090) 9.906 16.092 ( 7.008 4.558 -0.531) 8.377 16.358 ( 7.827 9.868 -10.185) 16.198 16.973 ( -5.309 0.013 9.538) 10.916 17.386 ( -8.183 -5.784 0.884) 10.060 18.670 ( -5.817 -0.298 -7.431) 9.442 19.134 ( -1.595 -1.862 -2.565) 3.548 19.297 ( 1.799 -4.194 4.642) 6.510 19.420 ( 1.169 0.463 -0.632) 1.407 19.734 ( 1.339 -3.566 -4.395) 5.816 ======================= Grid point 138 (22/120) ======================= q-point: ( 0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 5.645 4.327 2.355) 7.492 1.919 ( -5.982 -2.417 3.499) 7.340 2.307 ( -3.979 5.124 -11.336) 13.062 2.913 ( 12.772 4.134 3.546) 13.885 3.339 ( 4.592 -0.738 3.246) 5.672 3.724 ( -11.543 -9.386 -0.832) 14.900 5.685 ( 30.656 15.394 -1.800) 34.351 5.826 ( 1.574 -0.947 0.649) 1.948 6.148 ( -1.596 -0.359 -2.247) 2.779 6.807 ( -4.739 -1.157 -3.837) 6.206 7.016 ( -21.428 -13.066 -0.973) 25.116 7.440 ( 2.673 2.343 3.293) 4.845 7.849 ( -6.013 -2.122 0.183) 6.379 9.843 ( 0.735 3.131 0.737) 3.300 10.308 ( 2.071 0.510 1.221) 2.457 14.737 ( 0.243 -0.777 -0.110) 0.821 15.245 ( 0.262 0.824 -0.001) 0.865 15.949 ( 2.492 2.169 6.152) 6.983 16.233 ( 3.441 2.192 -0.685) 4.137 16.553 ( 2.004 10.173 -9.772) 14.248 16.905 ( -2.048 0.380 5.182) 5.584 17.202 ( -5.766 -4.123 1.985) 7.362 18.601 ( -1.537 -0.882 -2.780) 3.296 19.099 ( -0.866 -0.520 -3.835) 3.966 19.290 ( 2.413 -4.489 4.092) 6.536 19.435 ( 0.689 -0.510 -1.265) 1.528 19.726 ( 0.986 -2.161 -2.936) 3.777 ======================= Grid point 145 (23/120) ======================= q-point: ( 0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 9.288 16.088 17.224) 25.333 1.272 ( 13.063 22.625 15.919) 30.593 1.891 ( 20.611 35.699 0.506) 41.225 2.479 ( -5.037 -8.725 -6.768) 12.136 3.188 ( 7.290 12.627 -2.487) 14.791 3.477 ( -6.974 -12.079 13.424) 19.358 4.480 ( -1.788 -3.097 -0.024) 3.576 5.769 ( -0.031 -0.054 0.569) 0.573 5.769 ( 1.962 3.399 -3.228) 5.081 7.373 ( -1.411 -2.444 -0.364) 2.846 7.644 ( -5.223 -9.047 -3.822) 11.124 8.328 ( -6.696 -11.597 -0.265) 13.394 9.101 ( -0.875 -1.516 -2.940) 3.422 9.107 ( -1.905 -3.299 1.769) 4.200 9.830 ( 9.167 15.879 -8.415) 20.174 14.749 ( -1.793 -3.105 0.802) 3.674 15.040 ( 6.679 11.568 -1.150) 13.407 15.226 ( 3.805 6.591 3.920) 8.560 15.799 ( 6.692 11.591 -5.742) 14.564 16.024 ( -0.883 -1.529 1.262) 2.170 16.966 ( 7.365 12.756 -13.986) 20.312 17.705 ( -2.190 -3.794 0.389) 4.398 19.131 ( -2.199 -3.809 -4.935) 6.610 19.194 ( -1.352 -2.342 -2.575) 3.734 19.305 ( -0.561 -0.971 4.882) 5.009 19.336 ( 1.448 2.508 -0.280) 2.909 19.702 ( -4.153 -7.193 -4.983) 9.686 ======================= Grid point 146 (24/120) ======================= q-point: ( 0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 5.912 20.184 12.739) 24.589 1.701 ( 11.815 24.453 7.665) 28.218 2.305 ( -4.756 -6.848 -5.894) 10.211 2.470 ( 15.485 6.154 -2.789) 16.895 3.239 ( -2.434 -5.413 -0.394) 5.948 3.665 ( 21.506 24.986 7.250) 33.754 4.378 ( -5.240 -6.249 -0.944) 8.210 5.755 ( -0.235 -1.276 0.688) 1.469 5.863 ( 3.982 5.192 -2.862) 7.142 7.338 ( -1.201 0.444 -0.759) 1.488 7.426 ( -8.474 -10.645 -3.075) 13.949 8.047 ( -7.662 -21.354 -1.407) 22.731 8.782 ( -26.298 10.181 0.587) 28.206 9.306 ( 19.808 -13.549 0.531) 24.005 10.092 ( 5.093 13.724 -2.346) 14.825 14.696 ( 0.781 -5.991 0.671) 6.079 15.220 ( -1.864 16.959 0.548) 17.070 15.444 ( 13.974 5.517 2.427) 15.219 15.997 ( -0.427 -0.473 1.882) 1.987 16.055 ( 8.939 12.535 -5.582) 16.376 17.084 ( -0.032 1.569 3.973) 4.271 17.603 ( -4.373 -5.644 0.156) 7.141 18.997 ( -10.477 0.213 -7.752) 13.035 19.160 ( 0.376 -3.532 -3.621) 5.072 19.258 ( -0.195 -5.432 7.295) 9.098 19.386 ( 0.985 2.926 0.059) 3.088 19.638 ( 2.565 -5.492 -10.450) 12.080 ======================= Grid point 147 (25/120) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.037 21.810 9.799) 23.910 2.151 ( 0.893 16.775 -8.115) 18.656 2.167 ( 7.895 0.447 2.434) 8.274 2.587 ( 1.211 -3.612 3.853) 5.418 3.209 ( 3.111 -2.200 -2.864) 4.767 4.164 ( -10.165 -8.963 -1.083) 13.595 4.434 ( 34.598 24.939 2.347) 42.714 5.747 ( 1.697 -2.744 0.063) 3.227 6.002 ( 5.288 6.319 -2.292) 8.552 7.154 ( -10.766 -9.824 -3.892) 15.085 7.357 ( 0.254 3.612 1.235) 3.826 7.646 ( -10.847 -26.330 -2.286) 28.569 8.433 ( -25.928 9.961 1.536) 27.818 9.493 ( 17.518 -13.820 1.287) 22.351 10.282 ( 1.720 13.075 0.137) 13.188 14.657 ( 2.474 -7.671 0.018) 8.061 15.332 ( -3.715 15.408 0.907) 15.875 15.740 ( 11.618 6.782 3.027) 13.789 16.021 ( 4.074 0.994 1.767) 4.550 16.338 ( 8.411 13.819 -7.140) 17.683 17.045 ( -3.676 -1.236 11.940) 12.554 17.446 ( -6.466 -7.356 0.118) 9.795 18.815 ( -10.511 0.341 -7.574) 12.960 19.130 ( -0.359 -2.495 -5.004) 5.603 19.211 ( 1.883 -6.737 5.206) 8.720 19.420 ( 0.076 1.974 -0.510) 2.040 19.643 ( 3.619 -5.007 -8.047) 10.145 ======================= Grid point 148 (26/120) ======================= q-point: ( 0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -2.065 19.321 7.249) 20.739 2.038 ( -8.108 2.794 -0.516) 8.592 2.405 ( -3.065 2.375 -8.808) 9.624 2.721 ( 15.797 9.600 6.619) 19.635 3.268 ( 4.441 -0.016 -1.840) 4.807 3.846 ( -14.311 -10.992 -1.321) 18.093 5.257 ( 35.594 16.563 -1.309) 39.280 5.756 ( 3.022 -4.011 -0.593) 5.057 6.143 ( 3.470 4.269 -1.669) 5.749 6.883 ( -9.430 -8.524 -3.779) 13.261 7.115 ( -13.828 -24.429 -1.692) 28.122 7.503 ( 1.856 11.192 2.214) 11.558 8.106 ( -21.425 6.484 1.762) 22.454 9.621 ( 13.958 -15.110 1.754) 20.645 10.404 ( -1.802 11.741 1.175) 11.936 14.630 ( 3.759 -8.389 -0.517) 9.207 15.393 ( -5.939 13.791 0.530) 15.025 15.923 ( 4.041 4.103 5.471) 7.943 16.159 ( 7.741 2.213 -0.268) 8.055 16.598 ( 6.436 13.252 -6.213) 15.989 16.964 ( -4.527 -0.351 10.478) 11.419 17.251 ( -6.742 -7.728 0.730) 10.282 18.666 ( -6.624 0.026 -4.397) 7.951 19.103 ( -0.591 -1.208 -6.031) 6.179 19.189 ( 3.134 -6.650 3.039) 7.955 19.429 ( -0.250 0.432 -1.571) 1.648 19.656 ( 3.165 -4.331 -4.862) 7.240 ======================= Grid point 149 (27/120) ======================= q-point: ( 0.45 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -11.063 19.161 0.436) 22.129 1.934 ( -1.864 3.229 7.540) 8.412 2.366 ( -0.721 1.248 -6.699) 6.852 2.972 ( -0.296 0.513 -0.749) 0.955 3.347 ( -1.154 1.999 4.078) 4.686 3.579 ( 2.502 -4.333 -3.959) 6.381 5.759 ( 2.783 -4.821 -1.107) 5.676 5.795 ( 4.468 -7.739 -3.906) 9.753 6.124 ( -0.439 0.761 -0.929) 1.279 6.755 ( 4.237 -7.338 -2.293) 8.778 6.799 ( 1.916 -3.319 -2.168) 4.403 7.630 ( -8.419 14.582 4.136) 17.338 7.904 ( -4.396 7.614 0.730) 8.822 9.666 ( 9.912 -17.169 1.914) 19.917 10.447 ( -5.622 9.737 1.469) 11.339 14.621 ( 4.781 -8.281 -0.716) 9.589 15.408 ( -7.441 12.888 0.405) 14.887 15.979 ( -0.713 1.234 5.686) 5.862 16.242 ( 0.765 -1.325 -0.161) 1.539 16.779 ( -6.244 10.816 -2.933) 12.828 16.882 ( 1.077 -1.865 3.900) 4.455 17.135 ( 1.350 -2.339 2.727) 3.838 18.607 ( -1.029 1.782 -2.270) 3.064 19.091 ( 0.158 -0.273 -6.499) 6.507 19.184 ( 3.670 -6.357 2.219) 7.669 19.427 ( 0.059 -0.102 -2.004) 2.007 19.662 ( 2.444 -4.233 -3.624) 6.084 ======================= Grid point 158 (28/120) ======================= q-point: ( 0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 11.767 20.381 7.935) 24.835 2.050 ( 3.096 5.362 7.374) 9.629 2.295 ( 6.800 11.779 -2.585) 13.844 2.528 ( -0.229 -0.397 -3.735) 3.763 3.160 ( -1.103 -1.910 -3.082) 3.789 4.218 ( -5.852 -10.135 -2.065) 11.884 4.241 ( 18.616 32.244 3.442) 37.391 5.715 ( -1.320 -2.287 0.000) 2.641 5.988 ( 4.132 7.157 -2.265) 8.569 7.194 ( -7.212 -12.491 -2.757) 14.684 7.389 ( 2.902 5.027 0.011) 5.805 7.592 ( -14.252 -24.686 -2.330) 28.600 8.984 ( -2.766 -4.791 -0.464) 5.552 8.993 ( -1.790 -3.100 3.248) 4.833 10.338 ( 6.300 10.912 0.112) 12.601 14.590 ( -2.669 -4.623 0.375) 5.351 15.532 ( 4.797 8.308 3.083) 10.076 15.592 ( 8.611 14.915 -1.038) 17.254 15.989 ( 0.128 0.221 3.680) 3.689 16.335 ( 8.643 14.970 -6.097) 18.329 17.070 ( -1.373 -2.377 12.630) 12.925 17.464 ( -4.859 -8.416 -0.179) 9.720 18.965 ( -2.911 -5.041 -6.777) 8.934 19.078 ( -2.020 -3.500 -3.653) 5.447 19.154 ( -2.212 -3.832 2.566) 5.115 19.441 ( 1.327 2.298 0.571) 2.714 19.567 ( -1.231 -2.133 -10.555) 10.838 ======================= Grid point 159 (29/120) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -3.987 8.772 5.864) 11.280 2.167 ( 5.947 12.000 4.602) 14.162 2.458 ( -2.654 -1.434 -5.980) 6.698 2.646 ( 9.050 19.669 3.716) 21.968 3.173 ( 4.607 -1.609 -3.957) 6.283 3.969 ( -11.318 -10.809 -2.355) 15.826 4.893 ( 25.872 21.660 -0.890) 33.753 5.679 ( 0.650 -3.734 -1.165) 3.966 6.129 ( 3.958 5.998 -1.424) 7.326 6.947 ( -8.565 -10.571 -2.881) 13.907 7.087 ( -13.703 -26.643 -3.024) 30.112 7.552 ( 5.954 12.649 1.686) 14.081 8.615 ( -27.498 8.172 2.099) 28.764 9.160 ( 19.158 -19.234 2.177) 27.235 10.515 ( 2.225 10.023 1.471) 10.372 14.516 ( 0.253 -6.165 -0.468) 6.188 15.632 ( -3.872 13.702 1.409) 14.307 15.887 ( 7.913 8.471 1.675) 11.712 16.037 ( 6.398 0.764 2.984) 7.101 16.606 ( 6.699 11.676 -5.160) 14.417 17.025 ( -1.778 0.606 14.756) 14.875 17.277 ( -6.334 -9.652 -0.092) 11.545 18.811 ( -9.394 -0.849 -3.861) 10.192 19.049 ( 3.701 -7.416 -3.217) 8.890 19.104 ( -0.709 -1.800 -4.243) 4.663 19.457 ( -1.809 1.725 -1.185) 2.766 19.553 ( 3.095 -4.200 -5.985) 7.940 ======================= Grid point 160 (30/120) ======================= q-point: ( 0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -1.817 3.873 6.798) 8.032 2.266 ( -3.830 5.925 3.547) 7.896 2.443 ( -6.502 14.064 -3.595) 15.906 2.954 ( 5.749 9.876 -1.256) 11.497 3.304 ( 11.238 4.182 -2.216) 12.194 3.631 ( -15.311 -10.543 -2.071) 18.704 5.498 ( 24.146 8.485 -3.335) 25.810 5.663 ( 2.370 -4.830 -2.040) 5.754 6.160 ( -4.528 -5.033 -0.301) 6.777 6.653 ( -4.412 -13.141 -4.459) 14.561 6.768 ( -4.028 -8.542 -2.347) 9.731 7.833 ( 6.552 21.271 3.281) 22.498 8.227 ( -24.954 5.251 2.459) 25.619 9.254 ( 15.206 -21.372 2.514) 26.350 10.607 ( -2.002 8.268 2.110) 8.765 14.478 ( 2.597 -6.467 -1.036) 7.046 15.673 ( -6.854 13.613 0.885) 15.266 16.005 ( 0.696 4.294 5.170) 6.757 16.178 ( 5.812 -0.312 0.320) 5.829 16.787 ( 6.434 3.858 1.240) 7.603 17.003 ( -7.083 3.114 4.321) 8.862 17.109 ( -1.643 -3.897 4.044) 5.851 18.679 ( -5.449 1.615 -2.828) 6.348 19.041 ( 4.403 -8.190 -0.444) 9.310 19.089 ( -0.124 -0.202 -9.255) 9.258 19.437 ( -1.191 0.493 -2.309) 2.644 19.569 ( 3.175 -4.388 -2.973) 6.178 ======================= Grid point 166 (31/120) ======================= q-point: (-0.09 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -13.350 23.122 -0.044) 26.699 0.937 ( -7.116 12.325 17.312) 22.411 2.186 ( -22.504 38.979 11.543) 46.465 2.661 ( 3.319 -5.748 2.399) 7.057 3.028 ( -6.052 10.482 -10.440) 15.984 3.473 ( 7.671 -13.286 13.589) 20.494 4.501 ( 1.000 -1.732 0.892) 2.190 5.729 ( -0.069 0.119 -0.990) 0.999 5.768 ( -1.762 3.051 -3.268) 4.805 7.375 ( 1.821 -3.153 -0.542) 3.681 7.661 ( 4.384 -7.593 -2.902) 9.236 8.383 ( 6.183 -10.710 2.116) 12.546 9.041 ( 2.431 -4.211 -1.134) 4.993 9.087 ( 1.333 -2.310 -3.917) 4.739 9.870 ( -9.263 16.044 -6.782) 19.729 14.686 ( 1.681 -2.912 -1.566) 3.709 15.042 ( -6.732 11.660 -0.480) 13.472 15.238 ( -3.406 5.899 4.220) 8.013 15.803 ( -5.904 10.226 -5.314) 12.949 16.007 ( 1.555 -2.693 0.263) 3.120 16.922 ( -6.438 11.150 -14.824) 19.635 17.713 ( 1.883 -3.261 0.725) 3.834 18.971 ( 5.968 -10.336 -6.251) 13.473 19.249 ( 0.449 -0.778 0.089) 0.903 19.300 ( -1.065 1.845 1.141) 2.417 19.332 ( -1.114 1.930 -0.618) 2.313 19.877 ( 0.875 -1.515 -0.649) 1.866 ======================= Grid point 170 (32/120) ======================= q-point: ( 0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 1.000 1.732 4.810) 5.209 2.280 ( -2.915 -5.048 7.363) 9.391 2.626 ( 10.634 18.419 -4.357) 21.710 3.026 ( 8.714 15.094 0.253) 17.430 3.142 ( -0.388 -0.672 -4.403) 4.471 3.736 ( -7.356 -12.741 -2.100) 14.861 5.305 ( 11.993 20.772 -3.121) 24.187 5.615 ( -1.431 -2.479 -2.425) 3.752 6.172 ( -3.323 -5.756 0.054) 6.646 6.628 ( -8.430 -14.602 -5.224) 17.651 6.762 ( -4.965 -8.599 -2.676) 10.283 7.877 ( 11.375 19.703 3.023) 22.951 8.710 ( -5.192 -8.992 1.670) 10.517 8.784 ( -4.868 -8.431 4.013) 10.530 10.666 ( 3.035 5.256 2.368) 6.515 14.422 ( -1.896 -3.283 -1.114) 3.952 15.830 ( 3.587 6.212 1.968) 7.439 16.058 ( 1.630 2.823 5.213) 6.148 16.064 ( 3.925 6.799 -0.668) 7.879 16.746 ( 2.195 3.803 1.484) 4.635 17.076 ( -5.964 -10.330 0.320) 11.933 17.111 ( 3.875 6.712 10.386) 12.959 18.776 ( -1.525 -2.641 -1.885) 3.585 18.921 ( -2.567 -4.447 -3.766) 6.368 19.090 ( -0.061 -0.105 -9.942) 9.943 19.480 ( -1.015 -1.757 -4.469) 4.908 19.486 ( -0.061 -0.106 -0.273) 0.299 ======================= Grid point 171 (33/120) ======================= q-point: ( 0.36 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -2.371 4.107 6.335) 7.913 2.202 ( 2.961 -5.129 4.940) 7.712 2.867 ( -11.476 19.877 -2.593) 23.098 3.059 ( -1.775 3.075 -3.601) 5.057 3.271 ( 7.046 -12.203 -3.870) 14.613 3.546 ( -1.798 3.114 0.332) 3.611 5.589 ( 1.251 -2.167 -3.010) 3.915 5.631 ( -3.240 5.611 -3.280) 7.262 5.944 ( 6.774 -11.732 -1.132) 13.595 6.558 ( -0.517 0.896 -4.305) 4.428 6.648 ( 2.432 -4.212 -3.102) 5.769 8.297 ( -9.282 16.077 4.571) 19.119 8.301 ( -6.313 10.934 1.910) 12.769 8.799 ( 14.156 -24.519 3.296) 28.503 10.718 ( -1.664 2.882 2.685) 4.276 14.390 ( 1.351 -2.340 -1.374) 3.031 15.888 ( -3.990 6.911 1.643) 8.147 16.083 ( -1.883 3.262 4.191) 5.634 16.147 ( 1.544 -2.675 1.418) 3.398 16.815 ( -0.571 0.990 3.471) 3.654 16.925 ( 2.917 -5.052 0.979) 5.916 17.193 ( -2.714 4.702 8.221) 9.852 18.739 ( -2.582 4.473 -3.060) 6.003 18.881 ( 4.286 -7.423 -2.957) 9.067 19.090 ( -0.086 0.149 -11.611) 11.612 19.452 ( -0.670 1.161 -2.074) 2.469 19.494 ( 1.686 -2.920 -1.493) 3.687 ======================= Grid point 177 (34/120) ======================= q-point: (-0.18 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -6.564 17.049 7.023) 19.573 1.440 ( -23.130 16.245 -3.646) 28.499 2.490 ( 10.343 -1.985 2.301) 10.780 2.642 ( -4.040 5.254 2.673) 7.146 3.298 ( 2.868 -2.526 2.312) 4.467 3.537 ( -30.648 27.487 3.520) 41.319 4.425 ( 5.350 -3.757 1.097) 6.629 5.739 ( -1.274 -0.331 -0.000) 1.317 5.854 ( -3.884 4.423 -3.249) 6.723 7.288 ( 4.270 -5.715 -3.012) 7.744 7.501 ( 6.062 -3.878 0.110) 7.197 8.111 ( 7.595 -20.884 1.268) 22.258 8.721 ( 26.906 9.477 -1.944) 28.592 9.257 ( -20.029 -14.963 -1.680) 25.058 10.125 ( -4.412 13.545 -1.019) 14.281 14.654 ( -2.353 -5.556 -0.986) 6.114 15.233 ( 1.517 16.657 1.342) 16.779 15.439 ( -13.544 5.439 2.335) 14.781 15.956 ( 0.174 -2.326 -0.496) 2.384 16.016 ( -7.626 8.349 -6.651) 13.118 17.020 ( -0.668 -1.310 1.337) 1.988 17.622 ( 4.366 -4.558 0.970) 6.385 18.790 ( 4.236 -8.091 -10.838) 14.173 19.220 ( 1.903 -0.867 0.335) 2.118 19.334 ( -0.753 1.490 2.765) 3.230 19.372 ( -1.284 1.892 -0.437) 2.328 19.840 ( 2.895 0.615 -1.615) 3.371 ======================= Grid point 189 (35/120) ======================= q-point: (-0.27 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -5.105 16.994 3.441) 18.075 1.941 ( -18.105 10.140 -9.289) 22.735 2.288 ( 12.124 0.567 2.139) 12.325 2.673 ( -1.572 1.147 5.098) 5.457 3.277 ( -1.126 0.641 0.326) 1.336 4.226 ( 10.240 -5.207 1.636) 11.604 4.431 ( -36.407 26.663 2.481) 45.195 5.767 ( -2.546 -0.773 1.012) 2.847 5.982 ( -5.389 5.236 -3.134) 8.141 7.093 ( 8.554 -10.208 -5.054) 14.245 7.429 ( 2.807 3.629 2.641) 5.293 7.707 ( 12.054 -26.408 0.172) 29.030 8.361 ( 25.433 9.106 -1.445) 27.052 9.437 ( -18.262 -15.530 -1.073) 23.997 10.299 ( -1.205 12.316 0.854) 12.404 14.646 ( -3.754 -6.920 -0.388) 7.882 15.341 ( 4.127 15.123 1.471) 15.745 15.722 ( -10.466 5.826 2.787) 12.298 15.985 ( -6.839 -0.093 -0.460) 6.855 16.229 ( -8.029 6.912 -11.161) 15.388 16.962 ( 2.283 -5.636 7.464) 9.628 17.474 ( 6.926 -5.965 1.311) 9.234 18.675 ( 2.406 -3.763 -10.112) 11.054 19.169 ( 2.597 -1.627 0.013) 3.064 19.353 ( 0.597 2.212 3.850) 4.480 19.412 ( -1.248 1.626 -0.429) 2.094 19.794 ( 2.726 -0.106 -1.138) 2.956 ======================= Grid point 190 (36/120) ======================= q-point: (-0.18 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -9.452 16.372 -1.431) 18.958 1.798 ( -10.055 17.415 -3.717) 20.450 2.456 ( -0.239 0.415 4.669) 4.693 2.634 ( 1.176 -2.037 0.173) 2.359 3.264 ( 0.337 -0.584 1.903) 2.019 4.216 ( -21.806 37.769 2.896) 43.708 4.308 ( 4.863 -8.422 1.851) 9.900 5.735 ( -0.049 0.086 0.944) 0.949 5.963 ( -3.661 6.341 -3.337) 8.046 7.116 ( 6.383 -11.057 -4.722) 13.612 7.482 ( -1.114 1.930 2.371) 3.254 7.664 ( 14.010 -24.267 0.582) 28.027 8.911 ( 3.767 -6.525 -3.591) 8.346 8.919 ( 1.809 -3.133 0.145) 3.621 10.355 ( -5.625 9.743 0.791) 11.278 14.571 ( 1.774 -3.072 -0.352) 3.565 15.516 ( -4.521 7.831 2.755) 9.453 15.618 ( -9.141 15.833 0.304) 18.285 15.908 ( 0.789 -1.367 -0.417) 1.633 16.199 ( -5.469 9.472 -10.961) 15.484 16.951 ( 3.039 -5.264 6.371) 8.805 17.503 ( 4.360 -7.552 1.502) 8.849 18.677 ( 1.923 -3.331 -11.138) 11.784 19.184 ( 1.619 -2.804 0.989) 3.386 19.367 ( -1.006 1.743 3.170) 3.755 19.410 ( -1.052 1.821 -0.714) 2.221 19.818 ( 1.438 -2.491 0.883) 3.009 ======================= Grid point 201 (37/120) ======================= q-point: (-0.36 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -3.750 14.786 3.167) 15.579 2.092 ( 14.355 6.010 0.713) 15.579 2.170 ( -6.132 -4.804 -12.415) 14.657 2.845 ( -10.106 11.426 6.610) 16.625 3.335 ( -3.670 3.121 0.826) 4.888 3.923 ( 15.932 -7.493 1.949) 17.714 5.300 ( -35.977 19.809 0.648) 41.075 5.803 ( -2.584 -1.350 1.593) 3.322 6.120 ( -4.337 3.279 -2.701) 6.071 6.844 ( 8.082 -9.102 -5.221) 13.245 7.159 ( 16.599 -24.871 -0.037) 29.902 7.508 ( 0.492 10.067 2.196) 10.316 8.048 ( 18.942 4.965 -0.768) 19.597 9.563 ( -15.007 -16.999 -0.690) 22.686 10.408 ( 1.803 10.670 1.329) 10.903 14.643 ( -4.241 -7.587 0.028) 8.692 15.388 ( 6.594 13.439 0.370) 14.974 15.887 ( -5.657 2.309 4.718) 7.720 16.156 ( -8.068 2.313 -0.589) 8.414 16.411 ( -6.860 3.503 -14.355) 16.291 16.876 ( 0.285 -4.827 6.083) 7.771 17.280 ( 7.800 -6.648 1.882) 10.420 18.629 ( 1.538 0.574 -4.962) 5.227 19.109 ( 1.754 -2.233 -1.161) 3.067 19.361 ( 1.436 3.022 4.051) 5.254 19.443 ( -0.529 1.400 -0.615) 1.618 19.751 ( 1.342 -1.065 -0.264) 1.733 ======================= Grid point 202 (38/120) ======================= q-point: (-0.27 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -1.699 12.461 -3.870) 13.159 2.005 ( -6.173 -3.124 -3.190) 7.619 2.476 ( 11.638 18.391 -0.329) 21.766 2.752 ( -14.005 8.051 4.686) 16.820 3.281 ( -3.123 -0.237 0.949) 3.272 4.083 ( 11.283 -9.247 2.602) 14.818 4.955 ( -27.328 25.514 1.979) 37.439 5.745 ( -1.642 -1.214 1.839) 2.749 6.089 ( -3.899 4.976 -3.147) 7.062 6.886 ( 7.563 -10.420 -5.097) 13.848 7.164 ( 14.627 -25.997 0.047) 29.829 7.579 ( -3.493 9.568 2.220) 10.425 8.525 ( 27.355 7.136 -1.836) 28.330 9.076 ( -19.348 -20.333 -1.281) 28.097 10.509 ( -1.782 8.674 1.221) 8.939 14.525 ( -1.029 -5.118 -0.033) 5.220 15.626 ( 2.878 12.452 1.514) 12.869 15.850 ( -1.496 7.065 1.268) 7.332 16.000 ( -12.485 2.290 0.017) 12.693 16.371 ( -4.792 7.023 -15.184) 17.402 16.839 ( 2.271 -6.220 6.022) 8.951 17.327 ( 6.605 -8.908 2.052) 11.278 18.654 ( 0.053 1.456 -7.142) 7.289 19.114 ( 2.403 -3.937 0.593) 4.650 19.399 ( -0.182 2.458 3.338) 4.149 19.443 ( -0.997 1.457 -0.704) 1.901 19.758 ( 1.942 -3.152 2.841) 4.667 ======================= Grid point 211 (39/120) ======================= q-point: (-0.45 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.086 -0.149 4.447) 4.451 1.936 ( 11.696 20.259 1.099) 23.419 2.181 ( -3.481 -6.029 -13.297) 15.010 3.036 ( 1.994 3.454 1.979) 4.452 3.454 ( 3.113 5.392 7.043) 9.401 3.647 ( -0.730 -1.264 -0.907) 1.718 5.819 ( -1.294 -2.241 1.765) 3.132 5.880 ( -2.615 -4.528 -0.356) 5.241 6.098 ( -0.009 -0.015 -2.348) 2.348 6.738 ( -2.871 -4.973 -4.637) 7.380 6.782 ( -3.432 -5.944 -1.007) 6.937 7.592 ( 7.230 12.523 2.447) 14.666 7.875 ( 3.472 6.013 -0.624) 6.972 9.608 ( -11.047 -19.133 -0.546) 22.100 10.445 ( 5.058 8.761 1.399) 10.213 14.642 ( -4.479 -7.757 0.166) 8.959 15.395 ( 7.367 12.761 -0.121) 14.735 15.956 ( -0.278 -0.482 5.833) 5.859 16.234 ( -1.016 -1.759 -0.479) 2.087 16.496 ( -1.034 -1.791 -15.399) 15.537 16.870 ( -1.376 -2.383 3.361) 4.344 17.149 ( -1.174 -2.034 2.747) 3.614 18.621 ( 1.455 2.519 -1.732) 3.386 19.080 ( -0.862 -1.494 -2.124) 2.736 19.364 ( 1.871 3.240 4.037) 5.504 19.455 ( 0.589 1.021 -0.801) 1.425 19.734 ( -0.516 -0.894 0.191) 1.050 ======================= Grid point 213 (40/120) ======================= q-point: (-0.36 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.141 2.582 0.640) 2.664 2.030 ( -3.594 -6.062 -7.974) 10.642 2.463 ( 15.498 26.587 -0.284) 30.776 3.066 ( -5.851 9.737 3.220) 11.807 3.408 ( -12.184 4.346 1.988) 13.087 3.752 ( 15.736 -10.205 3.006) 18.994 5.605 ( -24.896 11.041 1.439) 27.273 5.760 ( -2.079 -2.523 2.344) 4.023 6.131 ( 3.112 -3.716 -1.788) 5.167 6.684 ( 4.267 -7.139 -5.109) 9.761 6.733 ( 7.174 -15.336 -1.909) 17.039 7.789 ( -4.395 18.243 1.317) 18.811 8.145 ( 22.631 4.281 -1.181) 23.062 9.166 ( -15.776 -22.610 -1.192) 27.595 10.586 ( 1.790 7.075 1.238) 7.402 14.503 ( -2.794 -5.994 0.043) 6.613 15.662 ( 7.098 13.247 0.471) 15.037 15.939 ( -2.537 3.109 3.011) 5.017 16.170 ( -4.723 -1.158 -0.032) 4.863 16.485 ( -1.770 3.620 -17.912) 18.360 16.804 ( -3.188 -1.891 3.756) 5.277 17.129 ( 4.677 -8.412 2.686) 9.993 18.682 ( 1.036 4.512 -2.404) 5.216 19.043 ( 0.226 -4.455 -0.671) 4.511 19.419 ( 1.023 2.846 2.925) 4.207 19.469 ( -0.310 1.144 -0.526) 1.297 19.705 ( 0.041 -3.208 4.110) 5.214 ======================= Grid point 214 (41/120) ======================= q-point: (-0.27 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -0.676 1.172 -8.382) 8.491 1.928 ( 1.437 -2.488 -0.062) 2.874 2.845 ( -8.242 14.276 4.889) 17.194 3.015 ( -10.716 18.561 -0.154) 21.433 3.270 ( 0.125 -0.217 1.309) 1.332 3.852 ( 8.356 -14.472 2.892) 16.960 5.422 ( -12.726 22.042 2.142) 25.541 5.726 ( 0.369 -0.640 2.502) 2.608 6.134 ( 1.480 -2.564 -1.782) 3.456 6.700 ( 4.649 -8.052 -5.435) 10.770 6.710 ( 9.968 -17.264 -1.606) 20.000 7.835 ( -9.393 16.270 0.999) 18.813 8.590 ( 5.401 -9.354 -3.489) 11.351 8.700 ( 5.107 -8.846 0.483) 10.226 10.637 ( -2.521 4.366 1.159) 5.172 14.448 ( 1.570 -2.719 -0.019) 3.140 15.808 ( -3.558 6.162 1.192) 7.215 15.954 ( -2.098 3.634 0.533) 4.229 16.087 ( -2.545 4.409 0.665) 5.134 16.490 ( -2.726 4.721 -18.219) 19.017 16.761 ( 0.162 -0.281 3.926) 3.939 17.130 ( 6.216 -10.766 2.617) 12.704 18.719 ( -2.652 4.594 -3.375) 6.287 19.018 ( 3.152 -5.459 0.245) 6.309 19.447 ( -1.274 2.207 2.309) 3.439 19.467 ( -0.597 1.034 -0.817) 1.447 19.687 ( 2.017 -3.493 6.325) 7.502 ======================= Grid point 225 (42/120) ======================= q-point: (-0.36 0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.610 1.057 -1.749) 2.133 1.934 ( -2.012 -3.484 -6.503) 7.647 2.992 ( 13.967 24.192 2.611) 28.057 3.193 ( 2.099 3.635 2.146) 4.714 3.414 ( -6.468 -11.203 2.481) 13.171 3.577 ( -1.065 -1.845 1.668) 2.706 5.720 ( -0.714 -1.237 2.764) 3.112 5.750 ( 2.467 4.274 2.184) 5.397 5.984 ( -4.416 -7.649 0.759) 8.865 6.569 ( -1.034 -1.790 -4.095) 4.587 6.601 ( -1.584 -2.744 -5.635) 6.465 8.203 ( 5.342 9.253 -2.556) 10.986 8.207 ( 9.039 15.656 0.841) 18.098 8.696 ( -14.176 -24.553 -0.927) 28.367 10.680 ( 1.390 2.408 1.093) 2.987 14.421 ( -1.272 -2.203 -0.060) 2.545 15.866 ( 3.649 6.320 0.784) 7.339 16.008 ( 2.134 3.696 1.233) 4.442 16.114 ( -2.284 -3.955 0.262) 4.575 16.538 ( 0.859 1.488 -19.644) 19.719 16.813 ( 1.447 2.506 3.183) 4.302 16.970 ( -3.906 -6.765 2.988) 8.364 18.789 ( 3.239 5.610 -1.164) 6.582 18.941 ( -3.133 -5.427 -0.591) 6.295 19.469 ( 1.123 1.944 0.502) 2.301 19.484 ( 0.140 0.242 -0.514) 0.585 19.646 ( -1.255 -2.174 8.668) 9.024 ======================= Grid point 266 (43/120) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 -0.000 22.952) 22.952 0.951 ( 0.000 -0.000 22.952) 22.952 1.594 ( 0.000 -0.000 37.122) 37.122 2.635 ( 0.000 0.000 -6.878) 6.878 2.635 ( 0.000 -0.000 -6.878) 6.878 4.516 ( 0.000 0.000 -3.587) 3.587 4.547 ( 0.000 -0.000 1.685) 1.685 5.628 ( 0.000 0.000 -5.101) 5.101 5.628 ( 0.000 -0.000 -5.101) 5.101 7.461 ( 0.000 0.000 -1.070) 1.070 7.803 ( 0.000 -0.000 -3.799) 3.799 8.588 ( 0.000 0.000 2.669) 2.669 8.588 ( 0.000 -0.000 2.669) 2.669 9.175 ( -0.000 0.000 -0.594) 0.594 9.175 ( 0.000 -0.000 -0.594) 0.594 14.752 ( 0.000 0.000 -1.973) 1.973 14.752 ( 0.000 -0.000 -1.973) 1.973 15.220 ( 0.000 0.000 7.553) 7.553 15.220 ( 0.000 -0.000 7.553) 7.553 16.082 ( 0.000 0.000 1.140) 1.140 16.082 ( 0.000 -0.000 1.140) 1.140 17.791 ( -0.000 -0.000 0.959) 0.959 19.217 ( 0.000 0.000 -2.709) 2.709 19.217 ( 0.000 -0.000 -2.709) 2.709 19.226 ( 0.000 0.000 -0.091) 0.091 19.266 ( 0.000 -0.000 -0.689) 0.689 20.077 ( 0.000 0.000 0.119) 0.119 ======================= Grid point 267 (44/120) ======================= q-point: ( 0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.368 22.192 16.418) 27.607 1.300 ( 10.355 5.540 24.557) 27.220 1.814 ( 29.253 3.394 24.723) 38.451 2.534 ( 0.538 -11.679 -8.537) 14.476 2.814 ( 5.449 14.891 -6.465) 17.124 4.081 ( -25.422 -15.874 8.035) 31.029 4.535 ( -0.902 -1.168 1.285) 1.957 5.645 ( 1.673 0.730 -5.026) 5.347 5.692 ( 1.772 4.029 -4.148) 6.048 7.419 ( -3.028 -1.914 -0.342) 3.598 7.695 ( -6.209 -4.157 -3.828) 8.396 8.535 ( -1.983 -6.465 2.236) 7.123 8.901 ( -1.264 3.662 -5.315) 6.577 9.222 ( 3.852 17.894 -2.409) 18.461 9.294 ( 21.651 -3.041 -3.052) 22.076 14.738 ( -2.811 4.599 -1.927) 5.724 14.846 ( 7.654 1.226 -1.343) 7.867 15.265 ( 4.625 1.342 6.956) 8.460 15.485 ( 15.857 8.096 -1.362) 17.856 16.065 ( -1.789 -0.032 1.223) 2.167 16.325 ( 20.726 12.878 -5.555) 25.025 17.769 ( -1.862 -1.300 0.928) 2.453 19.108 ( -9.733 -1.090 -2.813) 10.190 19.208 ( 0.844 -3.505 -2.306) 4.279 19.275 ( 1.517 2.475 -0.995) 3.068 19.289 ( 1.854 1.263 -0.739) 2.362 19.941 ( -8.048 -8.344 1.769) 11.727 ======================= Grid point 268 (45/120) ======================= q-point: ( 0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 7.757 23.420 5.091) 25.191 1.420 ( 0.890 7.635 21.994) 23.298 2.390 ( 7.552 -6.421 0.238) 9.915 2.455 ( 21.723 -4.800 2.555) 22.393 3.107 ( 10.552 14.594 -6.953) 19.305 3.659 ( -7.050 -2.949 12.787) 14.897 4.479 ( -3.314 -3.945 0.517) 5.178 5.705 ( 3.560 2.638 -4.446) 6.277 5.744 ( 0.921 2.577 -1.870) 3.315 7.332 ( -5.149 -2.017 -1.624) 5.763 7.533 ( -6.366 -6.043 -3.018) 9.282 8.405 ( -3.446 -10.443 1.514) 11.101 8.642 ( -20.772 -4.196 -2.604) 21.351 9.418 ( 6.319 8.861 -0.194) 10.885 9.753 ( 19.430 6.573 -5.490) 21.233 14.737 ( -2.080 3.556 -1.639) 4.433 15.012 ( 8.639 2.612 0.936) 9.073 15.414 ( 9.340 5.223 5.175) 11.887 15.753 ( 9.191 5.340 -4.569) 11.570 16.031 ( -2.293 0.867 1.519) 2.884 16.857 ( 19.875 14.073 -6.067) 25.097 17.700 ( -3.825 -2.968 0.893) 4.923 18.864 ( -16.265 -1.537 -5.200) 17.145 19.180 ( 0.194 -3.988 -2.550) 4.738 19.324 ( 1.632 1.871 -1.201) 2.758 19.344 ( 2.219 2.040 -0.423) 3.044 19.745 ( -2.232 -10.994 0.405) 11.226 ======================= Grid point 269 (46/120) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 1.013 11.720 14.240) 18.471 1.629 ( 9.378 13.433 -6.579) 17.654 2.293 ( -0.275 -7.817 -0.187) 7.824 2.720 ( 6.299 -0.302 4.591) 7.800 3.214 ( 0.760 -3.659 -4.115) 5.559 4.055 ( 33.077 21.729 7.890) 40.354 4.330 ( -7.545 -7.709 0.221) 10.789 5.777 ( 1.681 1.081 0.213) 2.009 5.825 ( 5.844 4.139 -4.435) 8.423 7.172 ( -11.011 -3.607 -4.981) 12.612 7.410 ( -0.790 -4.254 0.779) 4.396 8.134 ( -14.147 -25.145 -2.189) 28.934 8.261 ( -18.253 6.693 0.702) 19.455 9.611 ( 6.197 7.939 0.252) 10.074 10.062 ( 11.750 3.875 -1.182) 12.429 14.737 ( -0.973 1.593 -1.024) 2.129 15.159 ( 5.627 1.581 1.966) 6.167 15.677 ( 13.193 7.584 4.109) 15.762 15.942 ( 6.020 7.508 -7.338) 12.102 16.024 ( 0.190 2.767 1.040) 2.962 17.182 ( 5.179 7.327 6.983) 11.369 17.579 ( -5.949 -4.738 1.013) 7.673 18.595 ( -11.931 -0.255 -10.740) 16.055 19.136 ( -0.555 -4.313 -2.917) 5.236 19.360 ( 0.956 0.519 -0.965) 1.455 19.390 ( 1.283 0.906 1.051) 1.890 19.654 ( 2.806 -9.178 -2.805) 9.999 ======================= Grid point 270 (47/120) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 1.346 6.821 6.573) 9.568 1.829 ( 3.108 7.474 -12.228) 14.664 2.245 ( -2.234 -1.039 2.568) 3.559 2.809 ( 7.352 1.014 6.672) 9.980 3.240 ( 5.073 -0.718 -2.708) 5.795 4.066 ( -12.216 -10.949 0.535) 16.413 4.890 ( 37.190 20.226 1.891) 42.376 5.815 ( 2.545 -0.759 0.826) 2.781 5.985 ( 6.718 5.314 -3.769) 9.358 6.917 ( -12.649 -4.860 -5.538) 14.638 7.417 ( 3.599 -0.498 2.315) 4.308 7.569 ( -24.723 -17.966 -2.238) 30.643 8.043 ( -11.658 -1.401 0.825) 11.771 9.771 ( 3.915 6.431 0.705) 7.562 10.247 ( 6.735 2.151 0.989) 7.139 14.736 ( 0.007 -0.092 -0.413) 0.423 15.230 ( 1.654 0.685 0.938) 2.021 15.949 ( 9.252 4.237 4.431) 11.099 16.086 ( 4.401 5.455 0.814) 7.056 16.149 ( 6.016 11.879 -9.951) 16.623 17.188 ( -7.839 1.197 12.507) 14.809 17.410 ( -7.212 -5.761 1.593) 9.367 18.495 ( -1.294 1.816 -10.388) 10.625 19.077 ( -1.384 -4.250 -3.494) 5.673 19.367 ( 0.763 -1.754 1.335) 2.333 19.405 ( 0.727 -0.979 -0.063) 1.221 19.643 ( 3.745 -5.540 -4.220) 7.907 ======================= Grid point 271 (48/120) ======================= q-point: ( 0.45 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -1.103 1.064 -4.663) 4.909 1.972 ( 4.792 8.733 -1.088) 10.020 2.142 ( -8.720 -0.185 -0.238) 8.725 2.972 ( 6.963 0.369 2.438) 7.387 3.391 ( 12.319 3.226 1.381) 12.809 3.719 ( -13.937 -12.330 0.731) 18.623 5.638 ( 27.980 12.694 -2.908) 30.863 5.842 ( 2.083 -2.143 0.954) 3.137 6.089 ( -1.978 0.142 -3.663) 4.166 6.727 ( -2.437 0.944 -3.975) 4.757 6.993 ( -21.089 -13.495 -1.289) 25.071 7.508 ( 3.335 3.245 3.362) 5.740 7.854 ( -7.166 -1.840 0.219) 7.401 9.861 ( 0.316 4.221 1.031) 4.356 10.337 ( 2.434 0.377 1.720) 3.004 14.735 ( 0.594 -1.058 -0.051) 1.214 15.244 ( -0.318 0.790 -0.045) 0.853 16.058 ( 2.387 0.413 1.121) 2.670 16.216 ( 3.701 2.968 -0.791) 4.809 16.370 ( 0.939 15.154 -5.337) 16.094 17.029 ( -7.025 -1.657 7.349) 10.300 17.259 ( -4.023 -3.003 4.017) 6.429 18.529 ( 1.819 0.810 -4.561) 4.977 19.018 ( -0.570 -3.033 -4.660) 5.589 19.361 ( 1.713 -3.394 2.906) 4.786 19.404 ( 0.581 -1.278 -1.719) 2.219 19.655 ( 2.712 -3.825 -4.060) 6.203 ======================= Grid point 278 (49/120) ======================= q-point: ( 0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 7.362 12.751 15.092) 21.085 1.581 ( 10.521 18.223 15.261) 25.994 2.021 ( 11.875 20.568 12.264) 26.729 2.340 ( -4.693 -8.128 -7.281) 11.878 3.108 ( 7.714 13.362 -6.145) 16.608 3.724 ( -7.683 -13.308 11.520) 19.205 4.485 ( -2.349 -4.068 0.593) 4.735 5.688 ( 2.114 3.662 -4.941) 6.503 5.756 ( 0.927 1.605 -1.998) 2.725 7.364 ( -1.802 -3.121 -0.539) 3.644 7.563 ( -4.979 -8.624 -3.998) 10.731 8.335 ( -7.446 -12.897 0.845) 14.917 9.030 ( -0.015 -0.027 -4.040) 4.040 9.135 ( -1.267 -2.195 1.000) 2.725 9.687 ( 12.706 22.007 -5.664) 26.035 14.748 ( -1.296 -2.244 -0.796) 2.711 15.006 ( 7.074 12.253 -2.128) 14.307 15.329 ( 3.230 5.595 6.307) 9.029 15.696 ( 6.706 11.615 -3.750) 13.927 16.056 ( -0.435 -0.753 1.925) 2.112 16.742 ( 14.258 24.696 -8.371) 29.720 17.718 ( -2.287 -3.960 0.863) 4.654 19.033 ( -4.568 -7.911 -5.062) 10.444 19.139 ( -1.556 -2.695 -2.882) 4.241 19.324 ( 1.287 2.229 -1.979) 3.247 19.330 ( 1.701 2.946 -0.297) 3.414 19.697 ( -7.736 -13.399 3.291) 15.818 ======================= Grid point 279 (50/120) ======================= q-point: ( 0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 6.391 13.031 10.166) 17.720 1.833 ( -4.748 27.720 6.586) 28.885 2.214 ( -0.683 -7.347 -3.149) 8.023 2.473 ( 20.665 1.846 3.263) 21.002 3.187 ( -2.386 -4.703 -5.005) 7.270 3.836 ( 17.308 20.421 9.837) 28.519 4.367 ( -5.310 -7.335 -0.165) 9.056 5.761 ( -0.083 -0.951 -0.214) 0.979 5.789 ( 4.298 5.704 -4.542) 8.464 7.283 ( -6.178 -4.431 -4.521) 8.846 7.399 ( -2.880 -5.141 0.233) 5.897 8.028 ( -8.532 -22.477 -0.570) 24.049 8.778 ( -25.275 10.915 -1.019) 27.550 9.311 ( 20.244 -12.926 -0.037) 24.019 10.049 ( 7.423 17.175 -1.917) 18.809 14.699 ( 0.106 -5.185 -0.295) 5.195 15.226 ( 0.831 16.363 -0.035) 16.384 15.508 ( 12.319 4.416 3.866) 13.646 15.928 ( 7.052 11.758 -6.351) 15.110 16.046 ( -0.344 0.806 2.759) 2.895 17.148 ( 9.416 13.209 2.247) 16.376 17.613 ( -4.298 -5.868 0.852) 7.323 18.809 ( -12.688 -4.198 -10.410) 16.941 19.094 ( -0.039 -4.517 -3.210) 5.541 19.356 ( 0.430 0.889 -1.175) 1.535 19.387 ( 0.590 2.099 1.068) 2.428 19.504 ( 1.064 -11.425 -0.332) 11.479 ======================= Grid point 280 (51/120) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 1.208 16.481 8.496) 18.582 1.964 ( -8.293 18.644 -9.012) 22.307 2.209 ( 4.714 0.094 2.075) 5.152 2.695 ( 7.881 -1.509 6.597) 10.388 3.142 ( 3.672 -3.117 -4.113) 6.334 4.152 ( -9.810 -10.097 -0.129) 14.078 4.495 ( 31.220 21.717 3.812) 38.221 5.751 ( 1.617 -3.296 0.306) 3.684 5.940 ( 5.754 6.904 -3.869) 9.785 7.054 ( -10.785 -8.475 -5.688) 14.849 7.396 ( 0.855 3.065 2.354) 3.958 7.606 ( -11.171 -26.356 -1.773) 28.680 8.450 ( -25.134 10.291 0.107) 27.159 9.510 ( 17.876 -13.223 0.505) 22.241 10.290 ( 2.744 14.677 0.661) 14.946 14.654 ( 1.965 -7.520 -0.264) 7.777 15.351 ( -3.814 14.987 0.968) 15.495 15.796 ( 13.963 5.313 2.178) 15.097 16.071 ( 1.797 2.387 3.305) 4.455 16.174 ( 6.879 14.463 -8.801) 18.274 17.293 ( -1.835 3.168 13.153) 13.653 17.458 ( -6.062 -7.498 1.083) 9.703 18.597 ( -8.432 0.484 -13.906) 16.270 19.044 ( -0.377 -4.893 -3.973) 6.314 19.329 ( -0.130 -5.953 5.978) 8.437 19.387 ( 0.285 -0.391 -3.185) 3.222 19.512 ( 5.169 -3.250 -4.213) 7.418 ======================= Grid point 281 (52/120) ======================= q-point: ( 0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -11.833 20.773 1.892) 23.981 1.998 ( 1.612 8.415 -2.564) 8.943 2.252 ( -2.989 0.957 -3.554) 4.741 2.847 ( 9.325 3.763 5.725) 11.572 3.236 ( 8.656 0.538 -1.564) 8.813 3.838 ( -13.862 -11.757 0.574) 18.185 5.235 ( 32.775 14.032 -0.918) 35.664 5.753 ( 3.238 -5.116 0.265) 6.061 6.095 ( 3.704 5.157 -3.177) 7.100 6.792 ( -9.104 -7.965 -5.166) 13.153 7.081 ( -13.531 -25.453 -1.741) 28.879 7.554 ( 3.314 12.243 2.672) 12.962 8.133 ( -21.733 6.999 0.823) 22.847 9.648 ( 14.065 -14.591 0.977) 20.290 10.434 ( -1.605 12.653 1.781) 12.878 14.621 ( 3.692 -8.781 -0.377) 9.533 15.403 ( -6.425 13.854 0.493) 15.279 16.017 ( 5.495 3.594 2.455) 7.010 16.161 ( 5.411 2.596 0.729) 6.046 16.453 ( 7.463 17.009 -7.424) 20.003 17.168 ( -11.165 -3.607 9.890) 15.345 17.288 ( -4.651 -5.997 3.684) 8.436 18.539 ( -1.352 2.651 -8.297) 8.815 18.988 ( -0.434 -4.568 -5.395) 7.083 19.277 ( 2.056 -7.239 5.410) 9.267 19.387 ( 0.194 -0.499 -2.640) 2.693 19.562 ( 3.811 -2.822 -4.463) 6.512 ======================= Grid point 282 (53/120) ======================= q-point: ( 0.45 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -11.880 20.576 -3.360) 23.996 2.103 ( -1.547 2.680 9.449) 9.943 2.180 ( -3.243 5.617 -9.832) 11.778 2.969 ( 0.484 -0.838 0.356) 1.031 3.466 ( 0.413 -0.715 7.308) 7.354 3.496 ( 2.607 -4.515 -4.327) 6.775 5.717 ( 4.281 -7.414 -3.938) 9.424 5.746 ( 3.392 -5.875 -0.273) 6.789 6.094 ( -1.157 2.005 -2.093) 3.121 6.707 ( 5.334 -9.238 -2.485) 10.953 6.740 ( 2.190 -3.794 -3.449) 5.575 7.712 ( -8.567 14.838 3.942) 17.581 7.914 ( -4.732 8.196 0.242) 9.467 9.697 ( 9.712 -16.821 1.161) 19.458 10.483 ( -5.969 10.338 2.074) 12.116 14.609 ( 5.069 -8.780 -0.442) 10.148 15.415 ( -7.740 13.406 0.262) 15.482 16.075 ( -0.742 1.286 2.296) 2.734 16.235 ( 0.460 -0.796 -0.540) 1.066 16.670 ( -7.450 12.904 -6.232) 16.151 16.980 ( 0.927 -1.606 5.945) 6.228 17.212 ( 0.983 -1.703 5.170) 5.531 18.550 ( -0.889 1.540 -3.505) 3.930 18.958 ( 1.744 -3.021 -6.679) 7.535 19.259 ( 3.862 -6.689 4.948) 9.173 19.386 ( 0.277 -0.480 -2.122) 2.193 19.581 ( 2.122 -3.675 -4.582) 6.245 ======================= Grid point 291 (54/120) ======================= q-point: ( 0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 9.198 15.931 3.568) 18.738 2.111 ( -1.437 -2.488 -1.854) 3.419 2.330 ( 11.196 19.392 6.634) 23.354 2.495 ( 1.013 1.754 1.176) 2.342 3.089 ( -1.820 -3.153 -4.229) 5.580 4.191 ( -6.145 -10.644 -0.715) 12.311 4.323 ( 15.842 27.439 4.861) 32.054 5.718 ( -1.643 -2.845 0.310) 3.300 5.924 ( 4.491 7.779 -4.115) 9.880 7.106 ( -6.695 -11.595 -5.544) 14.492 7.416 ( 3.247 5.624 2.279) 6.882 7.554 ( -14.819 -25.667 -1.585) 29.680 8.952 ( -2.210 -3.828 -2.712) 5.185 9.053 ( -1.490 -2.580 2.774) 4.071 10.346 ( 7.381 12.785 0.637) 14.776 14.593 ( -2.966 -5.138 -0.025) 5.932 15.569 ( 8.545 14.800 -1.284) 17.138 15.598 ( 4.278 7.409 3.502) 9.244 16.069 ( 0.952 1.648 4.320) 4.721 16.187 ( 8.164 14.140 -8.428) 18.374 17.322 ( 2.226 3.855 12.583) 13.347 17.472 ( -4.847 -8.394 0.945) 9.739 18.703 ( -3.385 -5.862 -16.918) 18.222 19.012 ( -2.131 -3.692 -2.989) 5.207 19.281 ( -4.129 -7.152 7.449) 11.121 19.387 ( 0.041 0.072 -7.291) 7.291 19.448 ( 1.316 2.280 0.116) 2.635 ======================= Grid point 292 (55/120) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -1.325 5.728 0.992) 5.962 2.210 ( 7.292 11.264 -2.753) 13.698 2.386 ( -11.952 11.695 2.260) 16.874 2.741 ( 11.458 9.830 5.481) 16.061 3.096 ( 5.839 -1.737 -3.850) 7.207 3.942 ( -10.530 -11.146 -0.371) 15.338 4.888 ( 23.459 18.566 0.419) 29.920 5.667 ( 0.263 -4.707 0.034) 4.715 6.081 ( 4.643 7.083 -3.339) 9.103 6.865 ( -9.186 -10.203 -5.093) 14.643 7.032 ( -13.460 -28.284 -2.504) 31.424 7.598 ( 6.541 13.743 2.742) 15.465 8.639 ( -26.421 8.431 0.208) 27.734 9.193 ( 18.895 -18.176 1.198) 26.246 10.549 ( 2.684 11.103 1.968) 11.591 14.507 ( -0.141 -6.767 -0.447) 6.783 15.659 ( -5.491 14.788 1.213) 15.822 15.906 ( 13.068 6.082 0.288) 14.417 16.116 ( 2.359 2.313 4.664) 5.716 16.472 ( 8.337 14.999 -8.495) 19.148 17.283 ( -7.108 -7.500 4.830) 11.407 17.306 ( -3.907 -4.017 9.984) 11.449 18.616 ( -3.721 1.436 -14.275) 14.822 18.947 ( -0.584 -4.952 -4.095) 6.452 19.171 ( -0.003 -8.013 6.432) 10.275 19.388 ( -0.247 0.349 -4.809) 4.828 19.489 ( 2.312 -0.585 -1.318) 2.725 ======================= Grid point 293 (56/120) ======================= q-point: ( 0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 1.640 4.332 4.004) 6.123 2.248 ( -6.269 0.441 -5.691) 8.478 2.408 ( -9.453 24.457 2.037) 26.300 2.947 ( 3.144 4.897 0.394) 5.833 3.273 ( 14.137 2.938 -1.034) 14.476 3.622 ( -14.290 -9.245 1.366) 17.075 5.441 ( 22.536 7.659 -2.412) 23.924 5.638 ( 2.301 -5.828 -0.439) 6.281 6.145 ( -3.916 -2.708 -1.284) 4.931 6.559 ( -3.651 -14.903 -4.883) 16.101 6.700 ( -3.908 -9.923 -4.239) 11.477 7.896 ( 7.412 21.397 2.811) 22.819 8.265 ( -25.288 5.878 1.297) 25.994 9.292 ( 15.006 -20.718 1.330) 25.616 10.654 ( -2.077 8.976 2.514) 9.550 14.459 ( 2.566 -6.942 -0.822) 7.447 15.691 ( -7.365 14.278 0.928) 16.092 16.095 ( 2.506 4.106 3.060) 5.701 16.190 ( 3.869 0.260 1.058) 4.019 16.764 ( 9.410 13.172 -4.866) 16.904 17.052 ( -11.130 -7.107 2.938) 13.528 17.201 ( -2.887 -2.640 4.731) 6.139 18.598 ( -1.909 3.370 -5.372) 6.623 18.899 ( 0.879 -4.607 -6.982) 8.411 19.120 ( 3.066 -7.816 5.572) 10.077 19.387 ( -0.389 0.532 -2.621) 2.703 19.512 ( 2.197 -2.608 -2.877) 4.462 ======================= Grid point 299 (57/120) ======================= q-point: (-0.09 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -8.463 14.658 9.554) 19.436 1.352 ( -1.165 2.017 23.733) 23.847 2.403 ( -14.331 24.822 10.131) 30.400 2.680 ( 1.554 -2.691 -0.526) 3.152 2.815 ( -10.246 17.746 -11.258) 23.380 3.729 ( 9.336 -16.170 12.008) 22.199 4.518 ( 1.154 -1.999 0.739) 2.424 5.686 ( -1.807 3.129 -4.938) 6.119 5.700 ( -0.853 1.477 -2.197) 2.782 7.356 ( 2.757 -4.775 -1.426) 5.695 7.597 ( 3.411 -5.909 -3.257) 7.560 8.419 ( 6.837 -11.843 1.402) 13.746 8.998 ( 0.229 -0.397 -4.786) 4.808 9.033 ( 1.913 -3.313 0.290) 3.836 9.747 ( -12.506 21.661 -5.229) 25.552 14.664 ( 1.329 -2.302 -0.716) 2.752 15.030 ( -6.910 11.969 -0.818) 13.845 15.342 ( -2.985 5.171 6.250) 8.643 15.709 ( -5.864 10.156 -3.547) 12.252 16.018 ( 1.670 -2.893 0.991) 3.485 16.699 ( -12.844 22.246 -7.857) 26.862 17.729 ( 1.823 -3.158 0.922) 3.761 18.878 ( 8.374 -14.504 -3.714) 17.154 19.232 ( 0.204 -0.353 -1.944) 1.986 19.295 ( -1.265 2.191 -1.348) 2.867 19.321 ( -1.276 2.210 -0.461) 2.593 19.865 ( 2.311 -4.003 -0.114) 4.624 ======================= Grid point 303 (58/120) ======================= q-point: ( 0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 1.559 2.701 3.930) 5.017 2.292 ( -1.551 -2.686 -6.184) 6.919 2.652 ( 8.997 15.583 7.027) 19.317 3.029 ( 7.487 12.969 0.077) 14.975 3.064 ( -0.176 -0.305 -3.460) 3.478 3.717 ( -6.601 -11.434 0.198) 13.204 5.257 ( 11.352 19.662 -1.694) 22.766 5.585 ( -1.859 -3.220 -0.502) 3.752 6.164 ( -2.032 -3.519 -0.912) 4.164 6.520 ( -9.991 -17.305 -5.522) 20.731 6.685 ( -5.101 -8.836 -4.920) 11.327 7.936 ( 11.408 19.760 2.668) 22.972 8.719 ( -4.570 -7.916 -0.751) 9.171 8.859 ( -4.692 -8.126 3.464) 10.002 10.717 ( 3.353 5.808 2.687) 7.225 14.402 ( -2.163 -3.747 -0.940) 4.427 15.871 ( 3.447 5.970 2.104) 7.207 16.050 ( 4.773 8.267 -0.741) 9.575 16.161 ( 1.146 1.984 5.076) 5.569 16.737 ( 6.637 11.495 -3.840) 13.818 17.102 ( -5.288 -9.159 2.401) 10.845 17.235 ( -2.128 -3.687 3.375) 5.433 18.650 ( 1.071 1.855 -9.434) 9.674 18.853 ( -2.537 -4.394 -3.101) 5.946 19.048 ( -2.427 -4.204 4.651) 6.724 19.399 ( 0.393 0.680 -3.719) 3.801 19.473 ( -0.570 -0.987 -1.016) 1.527 ======================= Grid point 304 (59/120) ======================= q-point: ( 0.36 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -1.016 1.759 3.844) 4.348 2.232 ( 0.624 -1.081 -2.171) 2.504 2.857 ( -10.794 18.695 1.886) 21.670 3.006 ( -1.193 2.066 -1.837) 3.011 3.218 ( 6.178 -10.701 -1.282) 12.423 3.563 ( -1.394 2.414 1.302) 3.077 5.549 ( 1.418 -2.457 -0.917) 2.981 5.577 ( -3.753 6.501 -2.099) 7.794 5.927 ( 7.769 -13.456 -0.529) 15.547 6.455 ( -0.925 1.603 -6.017) 6.295 6.565 ( 2.776 -4.808 -5.120) 7.552 8.319 ( -5.976 10.351 -0.294) 11.956 8.382 ( -9.201 15.937 3.850) 18.801 8.853 ( 13.483 -23.354 2.227) 27.058 10.774 ( -1.814 3.141 2.919) 4.656 14.364 ( 1.456 -2.523 -1.160) 3.135 15.922 ( -4.523 7.834 1.832) 9.230 16.161 ( -0.953 1.651 3.573) 4.050 16.171 ( 0.785 -1.359 1.046) 1.886 16.907 ( 0.081 -0.141 5.705) 5.707 16.952 ( 0.286 -0.495 0.651) 0.867 17.192 ( -0.678 1.175 -7.291) 7.416 18.675 ( -2.511 4.349 -3.521) 6.133 18.800 ( 3.044 -5.273 -4.792) 7.748 19.007 ( 1.730 -2.996 3.186) 4.703 19.409 ( -0.909 1.574 -2.225) 2.873 19.460 ( 1.415 -2.451 -1.965) 3.445 ======================= Grid point 310 (60/120) ======================= q-point: (-0.18 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -11.674 13.995 6.250) 19.266 1.447 ( -9.244 5.796 8.452) 13.801 2.498 ( 11.494 3.752 -1.340) 12.164 2.680 ( -5.495 -1.099 1.649) 5.841 3.250 ( -3.990 6.113 -5.651) 9.231 3.727 ( -21.255 18.609 13.359) 31.250 4.439 ( 5.418 -3.476 0.272) 6.443 5.736 ( -2.213 0.778 -0.563) 2.413 5.776 ( -4.141 4.257 -4.462) 7.428 7.220 ( 6.224 -8.084 -3.858) 10.907 7.494 ( 3.782 -0.849 -0.635) 3.928 8.121 ( 8.494 -22.066 -0.230) 23.646 8.689 ( 26.525 10.191 -1.270) 28.444 9.233 ( -21.150 -14.914 -0.705) 25.889 10.096 ( -6.551 16.751 -1.771) 18.073 14.641 ( -2.295 -4.692 -0.353) 5.235 15.256 ( -0.926 16.561 0.741) 16.603 15.507 ( -11.960 4.400 4.504) 13.517 15.875 ( -4.336 6.519 -5.973) 9.847 15.971 ( -0.643 -3.189 1.065) 3.423 17.055 ( -9.314 7.813 2.032) 12.326 17.642 ( 4.288 -4.228 0.998) 6.104 18.601 ( 6.940 -11.600 -8.413) 15.922 19.205 ( 2.559 0.010 -1.987) 3.240 19.344 ( -1.811 1.506 -1.478) 2.781 19.369 ( -1.864 1.643 0.012) 2.484 19.798 ( 4.081 1.462 -1.938) 4.749 ======================= Grid point 322 (61/120) ======================= q-point: (-0.27 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -6.894 8.313 7.767) 13.302 1.756 ( -6.911 11.752 -9.219) 16.458 2.337 ( 9.800 1.641 2.797) 10.322 2.763 ( -6.345 1.393 4.217) 7.745 3.257 ( 0.151 1.469 -2.509) 2.911 4.248 ( 10.760 -4.746 0.515) 11.772 4.502 ( -33.891 24.711 4.576) 42.192 5.785 ( -3.115 -0.168 0.747) 3.207 5.909 ( -5.771 5.324 -4.167) 8.889 6.992 ( 9.233 -10.283 -5.161) 14.752 7.467 ( 1.820 4.125 1.347) 4.705 7.693 ( 13.087 -26.501 -1.577) 29.598 8.345 ( 24.303 8.710 -0.273) 25.818 9.427 ( -19.032 -15.691 0.094) 24.667 10.315 ( -2.048 13.542 0.740) 13.716 14.640 ( -3.774 -6.385 -0.254) 7.421 15.370 ( 4.959 14.804 1.394) 15.675 15.800 ( -14.218 5.247 4.705) 15.869 15.977 ( -5.510 1.109 -1.772) 5.893 16.025 ( -4.914 2.501 -7.456) 9.273 17.142 ( -0.114 -5.249 10.948) 12.142 17.500 ( 6.731 -5.363 1.315) 8.707 18.469 ( 0.259 -2.085 -11.155) 11.351 19.148 ( 3.633 -0.829 -2.253) 4.354 19.380 ( -0.723 1.470 -1.105) 1.976 19.409 ( -1.098 1.182 0.280) 1.637 19.754 ( 3.752 3.016 -2.423) 5.389 ======================= Grid point 323 (62/120) ======================= q-point: (-0.18 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -4.652 8.058 2.459) 9.624 1.762 ( -10.586 18.335 -0.120) 21.172 2.543 ( 0.331 -0.574 4.250) 4.302 2.623 ( -0.712 1.232 -0.836) 1.650 3.267 ( 0.511 -0.885 -1.867) 2.128 4.307 ( -19.899 34.466 6.098) 40.262 4.329 ( 4.574 -7.922 0.246) 9.150 5.751 ( -0.541 0.936 0.596) 1.234 5.886 ( -3.788 6.560 -4.314) 8.717 7.022 ( 6.699 -11.604 -4.827) 14.242 7.514 ( -1.707 2.957 0.973) 3.551 7.656 ( 14.476 -25.073 -1.297) 28.981 8.842 ( 3.715 -6.434 -3.323) 8.139 8.944 ( 1.514 -2.622 2.331) 3.821 10.370 ( -6.431 11.139 0.671) 12.879 14.567 ( 1.665 -2.884 -0.005) 3.330 15.589 ( -3.983 6.899 4.383) 9.092 15.617 ( -9.267 16.051 -0.471) 18.540 15.921 ( 0.509 -0.882 1.925) 2.178 16.003 ( -3.409 5.905 -8.706) 11.058 17.110 ( 1.429 -2.475 9.819) 10.227 17.531 ( 4.082 -7.070 1.264) 8.262 18.461 ( 1.171 -2.028 -11.255) 11.496 19.176 ( 1.642 -2.845 -1.828) 3.759 19.380 ( -1.136 1.967 -1.526) 2.736 19.404 ( -1.020 1.767 0.124) 2.044 19.804 ( 0.397 -0.688 -1.834) 1.999 ======================= Grid point 334 (63/120) ======================= q-point: (-0.36 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -7.289 9.321 5.594) 13.089 1.856 ( 4.417 8.072 -14.594) 17.253 2.187 ( 8.640 -1.484 4.645) 9.921 2.951 ( -7.536 8.329 4.391) 12.060 3.330 ( -6.401 4.658 -1.375) 8.035 3.953 ( 16.298 -6.508 1.136) 17.586 5.304 ( -32.969 18.971 -0.234) 38.038 5.831 ( -2.640 -0.871 1.256) 3.051 6.057 ( -4.845 3.579 -3.633) 7.034 6.736 ( 7.787 -9.347 -5.406) 13.313 7.142 ( 16.939 -25.343 -1.567) 30.523 7.553 ( -0.531 10.242 2.282) 10.506 8.043 ( 18.333 4.481 0.247) 18.874 9.562 ( -15.600 -17.391 0.574) 23.369 10.440 ( 1.588 11.082 1.809) 11.340 14.641 ( -4.378 -7.570 -0.250) 8.749 15.397 ( 7.514 13.364 0.551) 15.341 16.023 ( -8.032 1.591 8.691) 11.941 16.110 ( -5.307 1.914 -10.205) 11.660 16.162 ( -8.664 1.542 -4.545) 9.904 17.028 ( 2.939 -7.966 9.591) 12.810 17.322 ( 6.841 -5.715 2.459) 9.247 18.515 ( -2.822 3.581 -6.779) 8.170 19.071 ( 3.460 -1.737 -2.978) 4.884 19.400 ( 0.201 1.851 -0.177) 1.871 19.427 ( 0.255 1.138 -0.587) 1.305 19.729 ( 2.463 2.695 -1.938) 4.134 ======================= Grid point 335 (64/120) ======================= q-point: (-0.27 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -5.469 4.850 -3.893) 8.282 1.979 ( -0.864 4.711 0.681) 4.838 2.493 ( 13.128 18.437 1.914) 22.714 2.831 ( -16.426 5.804 3.597) 17.789 3.272 ( -2.413 0.111 -1.972) 3.118 4.117 ( 10.748 -8.690 0.798) 13.844 4.991 ( -25.494 24.202 1.578) 35.187 5.774 ( -1.921 -0.806 1.020) 2.319 6.020 ( -4.423 5.529 -3.700) 7.989 6.781 ( 8.097 -10.721 -5.298) 14.442 7.143 ( 14.925 -27.116 -2.172) 31.028 7.619 ( -3.518 9.623 1.858) 10.413 8.500 ( 26.010 6.555 -0.669) 26.832 9.071 ( -18.936 -19.564 0.765) 27.238 10.541 ( -2.052 9.142 1.925) 9.565 14.522 ( -0.962 -5.245 -0.298) 5.341 15.661 ( 5.250 13.032 1.744) 14.158 15.905 ( -5.953 5.626 3.931) 9.085 16.002 ( -11.717 2.596 0.155) 12.002 16.105 ( -2.332 4.522 -11.335) 12.425 16.996 ( 3.482 -8.388 10.237) 13.685 17.366 ( 6.159 -8.224 1.879) 10.445 18.505 ( -3.229 5.023 -8.449) 10.346 19.099 ( 3.168 -4.092 -2.173) 5.613 19.415 ( -0.608 1.900 -1.283) 2.372 19.434 ( -0.685 1.248 -0.195) 1.437 19.780 ( 1.682 -0.006 -0.573) 1.777 ======================= Grid point 344 (65/120) ======================= q-point: (-0.45 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 6.240 10.809 -13.988) 18.746 1.993 ( -1.466 -2.539 8.536) 9.025 2.016 ( 3.698 6.405 0.360) 7.404 3.065 ( 2.093 3.626 0.898) 4.282 3.585 ( 2.167 3.753 6.204) 7.568 3.606 ( 0.245 0.425 -3.190) 3.227 5.841 ( -1.313 -2.275 -3.580) 4.440 5.850 ( -1.116 -1.933 1.341) 2.604 6.041 ( 0.419 0.726 -3.356) 3.459 6.655 ( -3.919 -6.788 -3.554) 8.607 6.752 ( -3.988 -6.907 -1.903) 8.199 7.653 ( 6.874 11.907 3.516) 14.191 7.866 ( 3.231 5.596 -0.358) 6.472 9.610 ( -11.394 -19.736 0.742) 22.801 10.480 ( 5.137 8.898 2.078) 10.482 14.640 ( -4.623 -8.008 -0.268) 9.251 15.396 ( 7.681 13.304 0.254) 15.364 16.095 ( 0.798 1.382 2.733) 3.165 16.209 ( -4.387 -7.598 -8.012) 11.882 16.224 ( -0.784 -1.358 -0.511) 1.650 16.961 ( -1.416 -2.453 5.806) 6.460 17.215 ( -1.224 -2.119 4.135) 4.805 18.569 ( 1.449 2.509 -3.556) 4.586 19.025 ( -0.244 -0.422 -3.848) 3.879 19.409 ( 1.035 1.792 0.906) 2.259 19.428 ( 0.756 1.310 -1.817) 2.364 19.721 ( 1.446 2.505 -1.559) 3.286 ======================= Grid point 346 (66/120) ======================= q-point: (-0.36 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.692 0.226 -6.987) 8.419 1.961 ( 1.337 -2.944 3.747) 4.950 2.471 ( 16.644 28.047 1.019) 32.630 3.111 ( -3.534 7.107 1.211) 8.029 3.426 ( -15.234 4.803 -0.219) 15.974 3.798 ( 15.612 -9.607 1.760) 18.416 5.609 ( -23.454 11.786 -1.127) 26.273 5.795 ( -2.109 -2.412 1.054) 3.373 6.090 ( 2.246 -1.271 -2.249) 3.423 6.570 ( 3.749 -7.114 -5.841) 9.939 6.684 ( 8.113 -19.004 -3.266) 20.920 7.825 ( -4.977 17.119 2.149) 17.957 8.137 ( 22.268 4.372 0.367) 22.696 9.162 ( -15.752 -22.468 0.774) 27.451 10.623 ( 1.761 7.218 2.399) 7.807 14.497 ( -2.843 -6.266 -0.621) 6.909 15.677 ( 7.767 13.775 1.015) 15.847 16.037 ( -6.000 0.645 6.191) 8.646 16.164 ( -0.173 3.018 -12.614) 12.971 16.174 ( -4.249 -0.843 -0.872) 4.418 16.908 ( -1.228 -3.560 6.839) 7.807 17.187 ( 3.728 -7.771 3.233) 9.205 18.615 ( -1.373 6.169 -4.490) 7.752 19.007 ( 1.408 -4.593 -3.109) 5.722 19.436 ( 0.249 1.668 -0.516) 1.763 19.449 ( 0.181 1.056 -1.321) 1.701 19.756 ( 1.072 0.385 0.611) 1.293 ======================= Grid point 347 (67/120) ======================= q-point: (-0.27 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -1.792 3.104 -4.866) 6.044 1.958 ( 2.239 -3.879 3.049) 5.418 2.924 ( -7.852 13.600 3.347) 16.057 3.015 ( -10.812 18.727 0.157) 21.625 3.267 ( -0.047 0.082 -1.669) 1.672 3.893 ( 8.311 -14.394 1.248) 16.668 5.443 ( -12.574 21.778 -0.127) 25.147 5.760 ( 0.279 -0.484 0.912) 1.070 6.097 ( -0.368 0.637 -1.928) 2.064 6.586 ( 5.058 -8.760 -5.855) 11.687 6.650 ( 11.919 -20.645 -4.410) 24.243 7.863 ( -8.654 14.989 1.714) 17.392 8.538 ( 4.815 -8.340 -1.709) 9.780 8.734 ( 5.042 -8.733 2.932) 10.501 10.674 ( -2.596 4.497 2.522) 5.772 14.440 ( 1.705 -2.953 -0.736) 3.488 15.842 ( -3.171 5.492 2.090) 6.677 15.998 ( -2.332 4.039 3.946) 6.109 16.097 ( -2.871 4.972 -0.484) 5.762 16.181 ( -1.663 2.881 -12.256) 12.700 16.874 ( 1.359 -2.354 7.639) 8.109 17.183 ( 5.774 -10.002 2.721) 11.865 18.635 ( -4.282 7.416 -5.336) 10.090 18.994 ( 3.558 -6.163 -2.622) 7.584 19.448 ( -0.771 1.336 -1.445) 2.114 19.454 ( -0.471 0.816 -0.539) 1.085 19.767 ( 0.540 -0.935 1.401) 1.769 ======================= Grid point 358 (68/120) ======================= q-point: (-0.36 0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.398 0.690 -3.321) 3.415 1.895 ( -1.528 -2.647 2.272) 3.809 3.031 ( 14.934 25.867 1.467) 29.905 3.208 ( 1.655 2.867 -0.693) 3.382 3.442 ( -5.474 -9.480 0.401) 10.954 3.610 ( -2.647 -4.584 1.612) 5.533 5.754 ( -0.675 -1.170 0.617) 1.485 5.771 ( 2.747 4.759 -0.136) 5.497 5.995 ( -3.492 -6.048 0.430) 6.997 6.461 ( -2.158 -3.739 -6.750) 8.012 6.475 ( -1.657 -2.869 -6.700) 7.474 8.160 ( 4.423 7.661 -1.753) 9.018 8.250 ( 8.847 15.323 3.293) 17.998 8.704 ( -13.360 -23.139 1.761) 26.777 10.718 ( 1.409 2.440 2.699) 3.901 14.410 ( -1.346 -2.331 -0.946) 2.853 15.892 ( 3.930 6.807 1.787) 8.060 16.059 ( 0.947 1.641 3.634) 4.099 16.130 ( -1.746 -3.025 1.331) 3.737 16.210 ( 0.781 1.353 -13.310) 13.402 16.897 ( 1.124 1.947 5.242) 5.703 17.037 ( -3.741 -6.479 3.842) 8.411 18.741 ( 3.443 5.964 -3.700) 7.817 18.902 ( -3.146 -5.449 -3.302) 7.106 19.461 ( 0.441 0.764 -0.853) 1.227 19.464 ( 0.210 0.363 -1.437) 1.497 19.756 ( -0.091 -0.157 2.302) 2.309 ======================= Grid point 399 (69/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 0.000 19.077) 19.077 1.358 ( 0.000 -0.000 19.077) 19.077 2.225 ( 0.000 -0.000 27.702) 27.702 2.478 ( -0.000 0.000 -9.092) 9.092 2.478 ( -0.000 -0.000 -9.092) 9.092 4.426 ( 0.000 0.000 -5.520) 5.520 4.578 ( 0.000 -0.000 1.470) 1.470 5.532 ( 0.000 0.000 -4.486) 4.486 5.532 ( 0.000 -0.000 -4.486) 4.486 7.459 ( 0.000 -0.000 1.044) 1.044 7.714 ( 0.000 -0.000 -5.225) 5.225 8.639 ( 0.000 0.000 2.378) 2.378 8.639 ( 0.000 -0.000 2.378) 2.378 9.162 ( 0.000 0.000 -0.656) 0.656 9.162 ( 0.000 -0.000 -0.656) 0.656 14.718 ( 0.000 0.000 -1.500) 1.500 14.718 ( 0.000 -0.000 -1.500) 1.500 15.359 ( 0.000 0.000 6.341) 6.341 15.359 ( 0.000 -0.000 6.341) 6.341 16.106 ( 0.000 0.000 1.286) 1.286 16.106 ( 0.000 -0.000 1.286) 1.286 17.809 ( 0.000 0.000 0.858) 0.858 19.164 ( 0.000 0.000 -2.604) 2.604 19.164 ( -0.000 -0.000 -2.604) 2.604 19.224 ( 0.000 0.000 -0.079) 0.079 19.253 ( 0.000 0.000 -0.621) 0.621 20.079 ( 0.000 0.000 0.104) 0.104 ======================= Grid point 400 (70/120) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -5.646 15.098 17.075) 23.482 1.716 ( 19.821 0.947 18.377) 27.046 2.249 ( 7.218 -1.531 15.703) 17.350 2.368 ( 1.273 -7.366 -4.595) 8.774 2.670 ( 6.086 13.284 -8.786) 17.049 4.163 ( -17.206 -11.145 1.464) 20.553 4.560 ( -1.539 -1.426 1.137) 2.386 5.550 ( 1.860 0.799 -4.403) 4.846 5.603 ( 3.601 4.419 -4.578) 7.311 7.417 ( -3.725 -1.825 0.388) 4.166 7.623 ( -5.678 -4.054 -3.641) 7.869 8.577 ( -2.536 -6.761 1.973) 7.485 8.828 ( -0.141 4.490 -2.502) 5.142 9.195 ( 4.657 15.882 -0.408) 16.556 9.263 ( 14.490 -4.462 -1.190) 15.208 14.709 ( -1.972 3.239 -1.119) 3.954 14.815 ( 8.793 1.820 -1.564) 9.115 15.394 ( 3.506 1.251 5.961) 7.028 15.511 ( 10.364 5.439 2.851) 12.047 16.091 ( -1.789 0.432 1.403) 2.314 16.272 ( 15.321 9.113 -1.112) 17.861 17.787 ( -1.909 -1.293 0.844) 2.456 19.060 ( -9.849 -1.790 -1.984) 10.205 19.158 ( 0.738 -3.480 -2.661) 4.443 19.250 ( 1.021 1.553 -1.383) 2.316 19.278 ( 2.024 1.340 -0.426) 2.464 19.970 ( -7.526 -6.312 1.222) 9.898 ======================= Grid point 401 (71/120) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.977 14.630 6.741) 16.138 1.827 ( -4.378 3.723 19.531) 20.359 2.288 ( 4.467 -9.581 -6.753) 12.544 2.590 ( 19.650 -1.023 7.060) 20.905 2.954 ( 10.284 13.176 -8.753) 18.868 3.873 ( -2.601 -1.140 9.069) 9.503 4.488 ( -4.037 -4.077 0.411) 5.753 5.618 ( 4.167 2.664 -4.122) 6.438 5.700 ( 2.844 3.712 -2.551) 5.327 7.296 ( -7.842 -3.128 -1.861) 8.646 7.491 ( -3.909 -4.647 -1.379) 6.227 8.434 ( -3.478 -11.963 1.421) 12.539 8.593 ( -21.088 -2.817 -2.399) 21.410 9.417 ( 6.397 9.574 0.108) 11.515 9.671 ( 21.980 7.592 -3.080) 23.458 14.711 ( -1.222 2.765 -1.006) 3.186 15.019 ( 10.365 3.703 -0.115) 11.008 15.511 ( 7.706 3.925 4.488) 9.743 15.699 ( 6.145 3.439 -1.290) 7.159 16.065 ( -1.989 1.497 1.894) 3.128 16.773 ( 24.916 16.269 -2.947) 29.903 17.718 ( -3.853 -2.869 0.843) 4.878 18.786 ( -18.193 -4.609 -2.864) 18.985 19.126 ( -0.105 -4.134 -2.859) 5.027 19.282 ( 1.263 1.029 -2.485) 2.971 19.339 ( 2.808 2.193 -0.046) 3.563 19.774 ( -5.051 -8.733 1.922) 10.270 ======================= Grid point 402 (72/120) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.514 6.628 -6.201) 9.090 1.803 ( -3.636 7.695 13.325) 15.811 2.292 ( 4.226 -4.920 -0.139) 6.487 2.805 ( 6.468 2.323 4.062) 7.984 3.111 ( 3.641 -2.468 -6.173) 7.580 4.206 ( 26.912 16.858 7.108) 32.542 4.334 ( -7.023 -7.150 0.099) 10.023 5.743 ( 6.282 4.135 -3.785) 8.419 5.775 ( 2.920 1.973 -0.411) 3.548 7.086 ( -11.743 -4.953 -3.703) 13.271 7.423 ( 0.219 -2.320 0.577) 2.400 8.096 ( -18.568 -21.111 -1.662) 28.164 8.270 ( -14.095 2.486 0.199) 14.314 9.617 ( 6.687 7.817 0.365) 10.294 10.042 ( 13.969 5.449 -0.918) 15.022 14.720 ( -0.291 1.510 -0.663) 1.675 15.188 ( 5.609 1.608 1.084) 5.935 15.739 ( 12.567 5.100 1.992) 13.708 15.816 ( 3.424 6.425 -5.063) 8.868 16.071 ( 0.349 3.655 3.223) 4.885 17.301 ( 16.382 13.306 5.227) 21.743 17.599 ( -5.808 -4.460 0.976) 7.387 18.414 ( -16.667 -4.892 -7.723) 19.009 19.075 ( -0.905 -4.593 -3.258) 5.703 19.312 ( 1.415 0.302 -2.972) 3.305 19.403 ( 1.837 1.939 0.358) 2.695 19.645 ( -0.458 -8.180 0.909) 8.243 ======================= Grid point 403 (73/120) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -3.070 3.092 -13.000) 13.711 1.855 ( 0.835 7.215 7.381) 10.355 2.302 ( -0.303 -1.878 2.859) 3.434 2.918 ( 5.574 1.589 4.721) 7.475 3.178 ( 7.089 0.702 -3.535) 7.953 4.075 ( -11.722 -10.138 0.376) 15.503 4.926 ( 32.791 17.525 1.708) 37.219 5.829 ( 3.315 -0.750 0.624) 3.455 5.914 ( 6.790 5.746 -3.313) 9.492 6.824 ( -12.155 -5.090 -3.933) 13.752 7.454 ( 3.954 0.496 1.419) 4.230 7.529 ( -24.482 -16.901 -1.732) 29.799 8.055 ( -11.376 -2.251 0.364) 11.603 9.784 ( 4.462 6.160 0.630) 7.632 10.264 ( 7.668 2.936 0.724) 8.243 14.729 ( 0.411 0.136 -0.227) 0.489 15.245 ( 0.754 0.113 0.583) 0.960 15.880 ( 2.107 3.223 -8.137) 9.002 16.053 ( 9.951 7.585 -1.544) 12.607 16.176 ( 6.526 8.686 6.619) 12.722 17.417 ( -10.180 -3.952 5.952) 12.437 17.472 ( -5.186 0.098 9.871) 11.151 18.280 ( 3.864 2.742 -11.919) 12.826 19.003 ( -1.964 -4.958 -3.896) 6.604 19.337 ( 1.478 -0.040 -2.536) 2.936 19.427 ( -0.164 0.059 1.078) 1.092 19.592 ( 2.405 -6.421 -1.191) 6.960 ======================= Grid point 404 (74/120) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -3.498 2.902 -13.677) 14.412 1.951 ( 2.050 4.556 0.448) 5.016 2.249 ( -3.670 0.600 7.271) 8.167 3.005 ( 3.389 -1.015 1.068) 3.695 3.386 ( 13.248 4.468 -1.461) 14.057 3.753 ( -12.674 -10.790 2.303) 16.804 5.582 ( 24.224 11.050 -2.724) 26.764 5.862 ( 2.145 -2.820 1.103) 3.711 6.016 ( -2.529 0.715 -3.732) 4.564 6.666 ( 0.447 2.165 -2.351) 3.227 6.970 ( -20.785 -13.313 -0.937) 24.701 7.560 ( 4.275 3.691 2.037) 6.004 7.857 ( -7.801 -2.288 0.108) 8.130 9.879 ( 0.694 3.853 0.813) 3.998 10.368 ( 2.630 0.636 1.372) 3.034 14.735 ( 0.675 -0.843 0.066) 1.082 15.243 ( -0.627 0.447 -0.056) 0.772 15.923 ( -0.711 3.319 -10.457) 10.994 16.204 ( 3.307 2.291 -0.767) 4.096 16.426 ( 5.804 11.261 6.983) 14.466 17.165 ( -10.089 -4.339 6.086) 12.556 17.360 ( -3.826 -1.240 6.513) 7.654 18.435 ( 5.828 2.936 -4.939) 8.184 18.922 ( -1.315 -4.240 -5.190) 6.830 19.362 ( 1.460 -0.386 -1.652) 2.239 19.410 ( -0.582 -1.175 1.424) 1.935 19.585 ( 2.959 -5.103 -2.904) 6.575 ======================= Grid point 411 (75/120) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 5.387 9.331 13.638) 17.380 1.795 ( 5.603 9.705 4.426) 12.049 2.246 ( -1.312 -2.273 -0.131) 2.628 2.290 ( 3.855 6.677 13.548) 15.588 2.954 ( 7.322 12.683 -9.659) 17.543 3.907 ( -5.079 -8.798 7.389) 12.562 4.500 ( -2.704 -4.684 0.890) 5.481 5.595 ( 2.227 3.858 -4.333) 6.214 5.699 ( 2.294 3.974 -3.580) 5.820 7.349 ( -2.964 -5.134 -1.056) 6.022 7.505 ( -3.848 -6.666 -1.871) 7.921 8.358 ( -8.150 -14.115 1.487) 16.367 8.958 ( 0.354 0.614 -3.346) 3.420 9.143 ( -0.712 -1.234 -0.219) 1.441 9.617 ( 13.318 23.067 -1.904) 26.704 14.724 ( -0.829 -1.436 -1.578) 2.289 14.971 ( 7.313 12.666 -1.183) 14.673 15.446 ( 2.450 4.243 5.348) 7.253 15.664 ( 4.906 8.498 -0.083) 9.813 16.092 ( -0.102 -0.177 1.599) 1.612 16.632 ( 14.817 25.664 -3.720) 29.867 17.736 ( -2.258 -3.911 0.953) 4.615 18.941 ( -6.632 -11.487 -4.402) 13.976 19.093 ( -1.443 -2.499 -1.744) 3.372 19.275 ( 0.505 0.875 -2.508) 2.704 19.325 ( 1.878 3.253 -0.241) 3.764 19.773 ( -6.654 -11.524 3.934) 13.876 ======================= Grid point 412 (76/120) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -5.924 13.039 0.395) 14.327 1.948 ( 1.056 6.812 3.455) 7.710 2.220 ( -2.135 5.252 4.879) 7.479 2.573 ( 19.483 -0.731 6.152) 20.444 3.065 ( -0.333 -1.331 -6.904) 7.039 4.013 ( 14.299 15.852 7.999) 22.797 4.371 ( -5.510 -7.618 0.618) 9.422 5.702 ( 4.398 5.747 -4.117) 8.326 5.748 ( 1.359 0.652 -1.180) 1.914 7.195 ( -7.896 -7.603 -4.114) 11.709 7.416 ( -0.992 -1.417 1.304) 2.166 8.025 ( -9.513 -23.395 0.349) 25.257 8.747 ( -23.853 10.713 -2.025) 26.227 9.305 ( 20.106 -12.305 -0.614) 23.580 10.023 ( 8.926 19.737 -0.729) 21.674 14.687 ( 0.084 -4.251 -0.891) 4.344 15.223 ( 3.775 15.483 -0.140) 15.937 15.578 ( 9.458 3.190 3.188) 10.478 15.828 ( 4.576 9.020 -3.909) 10.844 16.097 ( 0.117 1.817 2.140) 2.810 17.168 ( 17.523 21.774 0.050) 27.949 17.633 ( -4.195 -5.659 1.173) 7.141 18.626 ( -15.133 -11.784 -8.281) 20.891 19.044 ( -0.888 -3.888 -1.750) 4.355 19.290 ( 1.016 -0.194 -3.213) 3.375 19.393 ( 2.081 3.015 -0.064) 3.664 19.581 ( -3.078 -9.519 5.310) 11.326 ======================= Grid point 413 (77/120) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -6.615 14.739 -10.087) 19.046 2.006 ( -4.722 12.750 5.191) 14.554 2.260 ( 1.480 2.002 3.685) 4.447 2.823 ( 9.398 0.239 6.491) 11.425 3.057 ( 5.006 -2.249 -4.518) 7.109 4.159 ( -9.393 -9.805 0.858) 13.605 4.571 ( 27.540 18.439 3.847) 33.366 5.757 ( 2.093 -2.503 0.220) 3.270 5.866 ( 6.297 6.802 -3.441) 9.888 6.953 ( -10.558 -8.506 -4.614) 14.322 7.439 ( 0.609 3.154 1.951) 3.758 7.583 ( -11.629 -25.888 -0.601) 28.386 8.437 ( -23.999 10.034 -1.293) 26.044 9.511 ( 18.279 -13.125 -0.413) 22.507 10.305 ( 3.598 16.074 0.792) 16.491 14.648 ( 1.962 -7.135 -0.334) 7.408 15.367 ( -3.643 14.467 0.726) 14.937 15.810 ( 11.192 3.935 -0.876) 11.896 16.010 ( 5.058 10.791 -6.485) 13.568 16.153 ( 4.114 4.981 3.482) 7.339 17.484 ( -5.811 -7.090 1.585) 9.304 17.535 ( 3.548 7.920 11.826) 14.669 18.312 ( -7.191 -3.968 -15.238) 17.311 18.982 ( -1.523 -4.585 -2.263) 5.335 19.310 ( 1.699 -0.404 -3.142) 3.595 19.430 ( -0.542 -0.954 2.736) 2.948 19.489 ( 1.842 -5.621 1.892) 6.210 ======================= Grid point 414 (78/120) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -10.025 17.237 -13.328) 23.985 2.054 ( -5.031 13.897 2.699) 15.024 2.280 ( -0.049 -0.672 4.205) 4.258 2.937 ( 4.406 1.048 3.719) 5.860 3.210 ( 11.766 2.508 -0.937) 12.067 3.866 ( -12.666 -10.658 2.104) 16.687 5.225 ( 29.348 12.297 0.004) 31.820 5.766 ( 3.360 -5.209 1.160) 6.306 6.030 ( 4.031 5.579 -3.277) 7.623 6.700 ( -7.972 -7.645 -4.173) 11.807 7.054 ( -13.631 -26.289 -0.866) 29.626 7.597 ( 3.595 12.644 1.679) 13.252 8.135 ( -21.095 6.976 -0.564) 22.225 9.656 ( 14.441 -14.704 -0.181) 20.610 10.467 ( -1.383 13.288 1.509) 13.445 14.617 ( 3.839 -8.970 -0.038) 9.757 15.411 ( -6.977 13.931 0.313) 15.584 15.972 ( 1.944 5.938 -6.550) 9.052 16.159 ( 4.417 3.701 -1.392) 5.928 16.389 ( 11.181 12.030 0.819) 16.444 17.288 ( -9.473 -7.956 3.369) 12.821 17.431 ( -8.943 -5.122 9.685) 14.143 18.367 ( 6.767 5.870 -9.090) 12.762 18.902 ( -2.078 -5.107 -3.378) 6.466 19.337 ( 1.478 0.091 -2.060) 2.537 19.385 ( 0.566 -5.195 5.393) 7.509 19.495 ( 1.962 -2.503 -2.423) 3.998 ======================= Grid point 415 (79/120) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -11.163 19.335 -13.365) 26.021 2.087 ( -6.251 10.826 -0.793) 12.526 2.268 ( -0.365 0.632 6.980) 7.018 2.983 ( 0.634 -1.097 1.091) 1.672 3.427 ( 1.893 -3.279 -2.500) 4.537 3.600 ( 0.762 -1.320 6.230) 6.413 5.654 ( 3.475 -6.018 -2.428) 7.361 5.751 ( 3.484 -6.034 0.934) 7.030 6.048 ( -1.756 3.042 -2.630) 4.388 6.670 ( 6.166 -10.680 -1.214) 12.392 6.678 ( 2.964 -5.133 -2.906) 6.601 7.770 ( -8.490 14.706 1.923) 17.089 7.911 ( -4.660 8.071 -0.556) 9.337 9.707 ( 9.880 -17.113 -0.083) 19.761 10.520 ( -6.148 10.649 1.682) 12.411 14.605 ( 5.304 -9.187 0.042) 10.608 15.418 ( -8.062 13.964 0.078) 16.125 16.013 ( -3.159 5.472 -7.998) 10.193 16.224 ( 0.178 -0.309 -0.606) 0.703 16.608 ( -3.282 5.684 -0.427) 6.577 17.094 ( 0.906 -1.569 5.420) 5.715 17.325 ( 1.250 -2.165 6.045) 6.541 18.480 ( -0.877 1.519 -3.483) 3.900 18.844 ( 1.834 -3.177 -4.838) 6.072 19.353 ( 0.244 -0.423 -1.172) 1.270 19.363 ( 2.448 -4.240 5.583) 7.426 19.498 ( 1.775 -3.075 -3.718) 5.141 ======================= Grid point 424 (80/120) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 4.373 7.574 -2.731) 9.162 2.039 ( 2.589 4.484 -4.714) 7.002 2.477 ( 7.124 12.339 7.415) 16.062 2.573 ( 2.680 4.642 5.821) 7.913 3.007 ( -1.325 -2.295 -3.740) 4.584 4.193 ( -6.061 -10.499 0.953) 12.160 4.417 ( 13.569 23.503 4.627) 27.531 5.726 ( -1.240 -2.148 0.442) 2.519 5.843 ( 4.706 8.151 -3.986) 10.221 7.004 ( -6.514 -11.283 -4.805) 13.886 7.462 ( 3.447 5.970 2.267) 7.257 7.535 ( -15.295 -26.492 -0.321) 30.592 8.889 ( -2.034 -3.524 -3.640) 5.460 9.092 ( -1.217 -2.109 1.117) 2.679 10.360 ( 8.246 14.283 0.762) 16.510 14.590 ( -2.939 -5.091 -0.306) 5.886 15.547 ( 8.525 14.765 -0.876) 17.072 15.656 ( 3.560 6.167 2.425) 7.522 16.033 ( 6.733 11.663 -7.320) 15.328 16.139 ( 1.475 2.554 2.509) 3.872 17.498 ( -4.602 -7.972 1.665) 9.354 17.534 ( 7.114 12.322 9.324) 17.011 18.370 ( -6.488 -11.238 -16.896) 21.304 18.973 ( -2.054 -3.558 -0.888) 4.203 19.285 ( -0.012 -0.020 -2.861) 2.861 19.427 ( -3.515 -6.088 7.099) 9.991 19.446 ( 1.180 2.044 -0.276) 2.376 ======================= Grid point 425 (81/120) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -3.433 10.901 -9.125) 14.625 2.161 ( 6.713 1.796 -0.955) 7.015 2.489 ( -14.035 20.088 5.819) 25.187 2.849 ( 12.090 3.599 5.815) 13.890 3.031 ( 7.869 -0.645 -2.908) 8.414 3.956 ( -9.505 -10.653 1.802) 14.390 4.910 ( 21.021 16.325 1.815) 26.678 5.681 ( 0.248 -4.601 1.352) 4.802 6.011 ( 5.283 7.645 -3.653) 9.985 6.768 ( -8.985 -9.869 -4.717) 14.155 6.998 ( -13.898 -29.591 -0.941) 32.706 7.645 ( 6.306 13.726 1.924) 15.228 8.622 ( -24.567 8.036 -1.862) 25.915 9.204 ( 17.985 -17.150 -0.106) 24.851 10.584 ( 3.035 11.821 1.511) 12.297 14.500 ( -0.264 -7.047 -0.183) 7.055 15.677 ( -6.032 15.536 0.667) 16.679 15.900 ( 12.669 5.149 -0.864) 13.703 16.176 ( -0.329 5.159 -0.119) 5.171 16.310 ( 10.893 11.644 -6.644) 17.273 17.327 ( -5.684 -8.634 2.386) 10.609 17.528 ( -8.554 -8.546 9.906) 15.631 18.330 ( 4.427 6.080 -14.370) 16.219 18.897 ( -2.535 -4.208 -1.186) 5.054 19.287 ( 1.371 -3.489 2.314) 4.405 19.342 ( -0.814 -2.469 3.369) 4.255 19.469 ( 0.377 -0.125 -0.905) 0.989 ======================= Grid point 426 (82/120) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -4.614 9.224 -11.226) 15.244 2.248 ( 2.612 -0.933 2.356) 3.639 2.466 ( -14.390 24.586 3.067) 28.652 2.966 ( 1.471 1.710 1.606) 2.769 3.267 ( 14.014 2.494 0.583) 14.246 3.675 ( -11.043 -8.027 3.696) 14.143 5.413 ( 20.619 7.491 -0.361) 21.940 5.649 ( 1.870 -6.027 1.527) 6.493 6.111 ( -2.422 0.878 -2.140) 3.349 6.481 ( -3.529 -16.677 -2.976) 17.304 6.620 ( -3.849 -12.549 -3.785) 13.661 7.932 ( 7.232 20.231 0.841) 21.501 8.273 ( -24.419 6.472 -0.531) 25.268 9.302 ( 14.822 -20.352 -0.321) 25.179 10.696 ( -2.086 9.339 1.749) 9.728 14.449 ( 2.624 -7.304 -0.237) 7.765 15.707 ( -7.797 14.909 0.655) 16.837 16.099 ( 2.912 6.433 -2.734) 7.572 16.206 ( 0.292 0.997 -0.079) 1.042 16.621 ( 9.897 11.105 -8.209) 16.990 17.124 ( -8.480 -8.136 3.956) 12.400 17.288 ( -3.622 -8.721 4.022) 10.264 18.493 ( 3.834 6.585 -4.948) 9.085 18.809 ( -1.970 -4.310 -2.611) 5.411 19.258 ( 2.385 -6.540 8.355) 10.875 19.348 ( 0.625 0.977 -1.137) 1.624 19.462 ( 0.248 -1.624 -2.148) 2.704 ======================= Grid point 432 (83/120) ======================= q-point: (-0.09 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -3.753 6.500 13.450) 15.402 1.795 ( 2.871 -4.973 21.401) 22.158 2.469 ( -2.034 3.523 -6.833) 7.952 2.637 ( -0.542 0.938 -4.003) 4.147 2.686 ( -16.906 29.283 1.376) 33.841 3.917 ( 6.276 -10.870 7.448) 14.595 4.528 ( 1.669 -2.890 0.269) 3.348 5.594 ( -1.954 3.385 -4.307) 5.816 5.650 ( -2.082 3.606 -2.592) 4.904 7.328 ( 3.898 -6.752 -1.265) 7.898 7.545 ( 2.453 -4.249 -2.247) 5.396 8.431 ( 7.800 -13.510 -0.091) 15.600 8.922 ( -0.377 0.653 -2.843) 2.941 9.053 ( 1.107 -1.917 1.687) 2.783 9.671 ( -12.937 22.408 -2.977) 26.046 14.658 ( 0.949 -1.643 0.142) 1.903 15.009 ( -7.220 12.505 -1.368) 14.504 15.458 ( -2.535 4.391 5.270) 7.313 15.676 ( -4.461 7.727 -0.290) 8.928 16.046 ( 1.448 -2.507 1.855) 3.438 16.602 ( -13.655 23.651 -2.859) 27.459 17.746 ( 1.864 -3.229 0.720) 3.797 18.828 ( 9.140 -15.831 -1.424) 18.336 19.178 ( 0.231 -0.400 -3.363) 3.394 19.262 ( -0.786 1.361 -1.769) 2.366 19.316 ( -1.547 2.679 -0.019) 3.093 19.869 ( 3.331 -5.769 0.266) 6.666 ======================= Grid point 436 (84/120) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 1.604 2.779 -10.059) 10.558 2.182 ( 1.082 1.874 1.270) 2.510 2.814 ( 5.788 10.024 8.628) 14.437 3.016 ( 0.569 0.986 -1.417) 1.818 3.030 ( 7.214 12.495 0.024) 14.427 3.743 ( -6.276 -10.870 2.372) 12.773 5.246 ( 10.726 18.577 0.655) 21.461 5.598 ( -1.924 -3.333 1.799) 4.248 6.135 ( 0.926 1.604 -2.059) 2.770 6.436 ( -13.094 -22.679 -2.783) 26.335 6.587 ( -5.185 -8.980 -4.891) 11.464 7.969 ( 10.661 18.465 0.735) 21.335 8.685 ( -3.798 -6.578 -2.678) 8.054 8.907 ( -4.631 -8.022 1.398) 9.368 10.761 ( 3.527 6.109 1.771) 7.273 14.389 ( -2.333 -4.040 -0.342) 4.678 15.905 ( 3.414 5.913 1.355) 6.960 16.035 ( 5.409 9.369 -0.902) 10.855 16.236 ( 0.569 0.986 2.410) 2.665 16.574 ( 8.349 14.461 -12.386) 20.791 17.161 ( -4.519 -7.827 3.404) 9.658 17.279 ( -8.308 -14.390 1.644) 16.697 18.491 ( 5.024 8.702 -6.497) 11.966 18.810 ( -2.754 -4.769 -1.198) 5.636 19.197 ( -2.282 -3.952 9.704) 10.723 19.348 ( 0.933 1.615 -1.279) 2.261 19.452 ( -0.897 -1.554 -1.028) 2.068 ======================= Grid point 437 (85/120) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -2.570 4.451 -7.069) 8.740 2.211 ( 1.477 -2.558 -0.570) 3.009 2.923 ( -10.994 19.042 4.215) 22.389 2.993 ( -0.574 0.994 0.532) 1.265 3.230 ( 4.542 -7.867 2.496) 9.421 3.592 ( 0.230 -0.399 1.684) 1.746 5.557 ( -4.156 7.200 0.163) 8.315 5.557 ( 1.371 -2.375 1.720) 3.237 5.928 ( 8.321 -14.413 0.707) 16.657 6.342 ( -1.120 1.940 -5.405) 5.851 6.465 ( 3.066 -5.311 -4.981) 7.901 8.289 ( -5.104 8.841 -2.609) 10.536 8.434 ( -9.129 15.811 1.440) 18.314 8.879 ( 12.642 -21.896 0.345) 25.286 10.822 ( -1.885 3.265 1.828) 4.190 14.348 ( 1.544 -2.674 -0.440) 3.119 15.953 ( -4.981 8.627 1.236) 10.038 16.186 ( 0.316 -0.548 0.531) 0.826 16.207 ( -0.958 1.659 0.868) 2.103 16.797 ( -3.141 5.441 -17.284) 18.391 17.016 ( 0.425 -0.736 5.193) 5.262 17.114 ( 4.820 -8.349 1.589) 9.770 18.611 ( -2.777 4.810 -2.892) 6.262 18.732 ( 1.942 -3.363 -2.167) 4.447 19.155 ( 1.809 -3.134 10.868) 11.454 19.375 ( -0.930 1.610 -1.044) 2.133 19.426 ( 1.083 -1.876 -1.377) 2.567 ======================= Grid point 443 (86/120) ======================= q-point: (-0.18 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -6.911 12.905 4.349) 15.271 1.696 ( -0.273 -5.691 13.204) 14.380 2.456 ( 8.132 7.803 -2.478) 11.539 2.701 ( -8.016 -3.169 0.317) 8.625 3.128 ( -5.589 8.878 -6.547) 12.366 3.969 ( -15.469 14.752 10.708) 23.907 4.434 ( 5.507 -4.179 -0.713) 6.950 5.687 ( -4.116 4.894 -3.702) 7.389 5.727 ( -3.578 1.749 -0.967) 4.098 7.152 ( 7.355 -9.197 -2.852) 12.117 7.481 ( 2.310 0.450 -0.725) 2.462 8.103 ( 9.573 -23.199 -1.506) 25.141 8.674 ( 25.098 10.246 -0.260) 27.111 9.234 ( -21.276 -13.881 0.791) 25.416 10.063 ( -8.234 19.204 -1.629) 20.958 14.640 ( -1.838 -3.932 0.288) 4.350 15.259 ( -3.326 16.050 -0.407) 16.396 15.591 ( -9.560 3.514 3.589) 10.799 15.789 ( -2.065 4.939 -2.922) 6.098 16.011 ( -0.952 -2.531 2.990) 4.031 17.093 ( -16.923 16.776 1.908) 23.905 17.658 ( 4.186 -4.258 0.613) 6.003 18.479 ( 11.156 -16.014 -4.112) 19.945 19.149 ( 2.794 0.002 -3.593) 4.551 19.298 ( -1.616 1.204 -2.647) 3.327 19.373 ( -2.119 2.019 0.440) 2.959 19.769 ( 4.503 -0.541 -1.356) 4.734 ======================= Grid point 455 (87/120) ======================= q-point: (-0.27 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 2.571 7.578 -6.433) 10.268 1.770 ( -5.130 7.164 8.889) 12.516 2.386 ( 6.935 3.685 1.935) 8.088 2.836 ( -9.474 1.232 3.493) 10.173 3.182 ( -0.282 2.243 -5.090) 5.570 4.244 ( 10.580 -5.237 -0.892) 11.838 4.589 ( -29.303 21.220 4.050) 36.406 5.791 ( -3.944 0.217 -0.308) 3.962 5.837 ( -5.911 5.636 -2.957) 8.686 6.907 ( 9.752 -10.227 -3.422) 14.540 7.483 ( 0.927 4.218 0.397) 4.337 7.653 ( 13.424 -26.243 -2.333) 29.569 8.350 ( 23.241 8.391 0.753) 24.721 9.440 ( -19.303 -15.149 1.169) 24.565 10.326 ( -3.052 15.086 0.299) 15.395 14.637 ( -3.430 -6.149 -0.036) 7.041 15.389 ( 5.081 14.421 0.473) 15.297 15.826 ( -7.304 1.815 -4.492) 8.765 15.892 ( -9.528 6.815 0.124) 11.715 16.048 ( -5.454 -0.641 4.877) 7.344 17.375 ( -3.996 -2.212 13.126) 13.898 17.521 ( 6.144 -5.115 0.834) 8.038 18.254 ( 0.850 -2.138 -11.099) 11.335 19.086 ( 4.123 -0.736 -3.897) 5.721 19.335 ( -1.146 1.438 -2.864) 3.403 19.418 ( -1.154 0.895 0.573) 1.569 19.706 ( 3.942 2.299 -2.651) 5.277 ======================= Grid point 456 (88/120) ======================= q-point: (-0.18 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.186 -0.323 4.187) 4.203 1.788 ( -9.851 17.062 2.623) 19.876 2.612 ( -0.180 0.313 2.657) 2.681 2.619 ( -2.949 5.107 0.644) 5.933 3.194 ( -0.097 0.167 -5.391) 5.395 4.316 ( 4.616 -7.994 -1.567) 9.363 4.425 ( -16.398 28.402 5.491) 33.253 5.755 ( -0.794 1.376 -0.185) 1.599 5.810 ( -4.103 7.107 -3.277) 8.837 6.943 ( 6.861 -11.884 -3.174) 14.085 7.523 ( -2.350 4.070 0.109) 4.701 7.619 ( 15.009 -25.996 -2.349) 30.109 8.793 ( 3.328 -5.764 -1.563) 6.837 9.000 ( 1.243 -2.153 3.232) 4.077 10.379 ( -7.467 12.934 0.283) 14.937 14.570 ( 1.852 -3.207 0.227) 3.710 15.597 ( -8.841 15.314 -1.659) 17.760 15.663 ( -3.199 5.541 2.839) 6.999 15.882 ( -2.620 4.538 -3.706) 6.418 15.986 ( -0.360 0.624 4.786) 4.839 17.321 ( -2.025 3.507 11.949) 12.617 17.549 ( 3.943 -6.830 0.513) 7.903 18.252 ( 2.403 -4.162 -10.244) 11.315 19.119 ( 1.696 -2.938 -3.795) 5.090 19.331 ( -1.143 1.980 -2.961) 3.741 19.412 ( -0.992 1.719 0.643) 2.086 19.754 ( 0.566 -0.981 -3.412) 3.595 ======================= Grid point 467 (89/120) ======================= q-point: (-0.36 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 5.320 8.086 -11.475) 15.012 1.925 ( -2.537 11.442 6.295) 13.304 2.279 ( 6.950 -1.389 4.592) 8.445 3.011 ( -4.406 5.260 1.869) 7.111 3.288 ( -9.476 5.747 -2.804) 11.432 3.963 ( 15.056 -6.338 -0.119) 16.336 5.290 ( -29.064 16.583 -1.196) 33.484 5.846 ( -3.160 -1.380 0.143) 3.452 5.991 ( -4.589 4.229 -2.893) 6.879 6.651 ( 6.982 -9.142 -3.186) 11.937 7.106 ( 16.141 -25.733 -2.038) 30.444 7.590 ( -1.714 10.694 1.545) 10.941 8.057 ( 18.426 4.616 1.095) 19.027 9.582 ( -15.727 -17.073 1.467) 23.259 10.472 ( 1.355 11.966 1.405) 12.124 14.634 ( -4.401 -7.925 -0.392) 9.073 15.407 ( 7.978 13.557 0.452) 15.736 15.888 ( -1.183 1.342 -9.201) 9.374 16.134 ( -7.230 2.787 -0.381) 7.758 16.208 ( -12.841 1.720 8.891) 15.713 17.226 ( 7.681 -10.727 9.883) 16.485 17.377 ( 4.179 -5.571 3.864) 7.965 18.375 ( -7.232 6.789 -7.543) 12.462 18.996 ( 4.612 -1.790 -4.535) 6.712 19.367 ( -0.806 1.768 -2.358) 3.055 19.427 ( 0.634 0.150 0.178) 0.675 19.678 ( 2.758 3.253 -3.410) 5.461 ======================= Grid point 468 (90/120) ======================= q-point: (-0.27 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -1.345 3.283 -1.516) 3.858 2.021 ( -1.913 8.664 3.235) 9.444 2.539 ( 13.072 16.512 2.545) 21.213 2.892 ( -17.090 4.422 2.815) 17.876 3.206 ( -2.586 0.438 -4.773) 5.446 4.111 ( 9.979 -8.484 -1.407) 13.173 5.009 ( -22.553 21.004 0.160) 30.819 5.780 ( -1.937 -1.109 -0.476) 2.282 5.958 ( -4.948 6.343 -2.526) 8.432 6.697 ( 8.470 -10.799 -3.217) 14.097 7.090 ( 14.963 -28.404 -3.085) 32.252 7.649 ( -4.074 10.374 1.235) 11.213 8.500 ( 24.068 6.176 0.723) 24.858 9.102 ( -17.839 -18.135 2.268) 25.539 10.577 ( -2.521 10.190 1.679) 10.630 14.515 ( -0.634 -5.781 -0.452) 5.833 15.685 ( 6.739 14.092 0.725) 15.638 15.886 ( -4.628 4.223 -5.080) 8.065 16.015 ( -9.493 5.807 0.127) 11.130 16.053 ( -6.479 1.333 6.144) 9.028 17.224 ( 5.502 -10.809 13.090) 17.845 17.395 ( 5.227 -7.730 1.091) 9.396 18.333 ( -6.218 8.445 -9.241) 13.978 19.038 ( 3.627 -4.194 -3.921) 6.791 19.370 ( -1.038 2.020 -2.821) 3.622 19.435 ( -0.189 0.790 0.251) 0.851 19.734 ( 1.422 0.597 -4.174) 4.449 ======================= Grid point 477 (91/120) ======================= q-point: (-0.45 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 5.880 10.184 -12.268) 16.994 2.050 ( 7.237 12.535 1.987) 14.610 2.165 ( -2.346 -4.063 8.773) 9.949 3.067 ( 1.597 2.765 -0.731) 3.276 3.532 ( 0.782 1.354 -4.185) 4.468 3.682 ( 1.118 1.937 3.701) 4.324 5.755 ( -0.861 -1.491 -4.945) 5.236 5.863 ( -1.884 -3.264 -0.300) 3.781 5.982 ( 1.462 2.533 -2.314) 3.729 6.610 ( -4.570 -7.915 -1.091) 9.204 6.714 ( -4.873 -8.440 -1.957) 9.940 7.717 ( 7.074 12.252 3.007) 14.463 7.864 ( 3.253 5.634 0.218) 6.509 9.633 ( -11.309 -19.588 1.573) 22.673 10.518 ( 5.447 9.434 1.733) 11.031 14.632 ( -4.929 -8.538 -0.543) 9.873 15.404 ( 8.065 13.969 0.464) 16.137 15.904 ( 0.297 0.514 -10.230) 10.247 16.215 ( -0.421 -0.729 -0.369) 0.919 16.354 ( -3.613 -6.257 10.656) 12.874 17.077 ( -1.350 -2.338 5.775) 6.375 17.304 ( -1.770 -3.066 5.002) 6.128 18.494 ( 1.276 2.210 -3.901) 4.662 18.933 ( 0.077 0.134 -5.473) 5.475 19.391 ( 0.703 1.218 -1.947) 2.402 19.412 ( 0.313 0.542 -0.184) 0.652 19.671 ( 2.001 3.466 -3.646) 5.414 ======================= Grid point 479 (92/120) ======================= q-point: (-0.36 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 1.089 5.163 -4.390) 6.864 2.072 ( -2.394 -2.850 6.586) 7.565 2.495 ( 16.693 26.424 1.353) 31.284 3.109 ( -1.159 4.267 -1.378) 4.631 3.403 ( -16.437 5.424 -2.035) 17.428 3.816 ( 13.598 -8.951 0.073) 16.280 5.563 ( -20.982 11.212 -3.456) 24.040 5.795 ( -2.006 -3.252 -1.100) 3.976 6.053 ( 1.747 1.297 -1.437) 2.608 6.481 ( 2.474 -7.902 -3.204) 8.879 6.617 ( 7.840 -21.881 -3.328) 23.480 7.865 ( -5.647 16.510 1.970) 17.560 8.159 ( 22.098 5.298 1.863) 22.800 9.192 ( -15.362 -21.755 2.201) 26.723 10.671 ( 1.817 7.861 2.347) 8.403 14.482 ( -2.846 -6.753 -0.958) 7.391 15.697 ( 8.143 14.536 0.994) 16.691 15.940 ( 1.020 3.856 -6.911) 7.979 16.166 ( -5.458 0.623 1.865) 5.802 16.219 ( -6.804 -1.146 7.109) 9.907 17.051 ( 2.499 -6.120 7.406) 9.928 17.249 ( 1.695 -7.313 3.112) 8.127 18.520 ( -3.741 7.539 -5.043) 9.811 18.931 ( 2.468 -4.709 -4.550) 6.998 19.404 ( -0.624 1.856 -2.219) 2.959 19.433 ( 1.026 0.446 -0.589) 1.264 19.721 ( 1.139 1.228 -4.246) 4.565 ======================= Grid point 480 (93/120) ======================= q-point: (-0.27 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -2.880 4.989 0.048) 5.761 2.034 ( 2.289 -3.965 4.546) 6.452 2.973 ( -7.019 12.158 1.748) 14.147 3.020 ( -10.307 17.853 0.340) 20.617 3.208 ( -0.404 0.700 -4.307) 4.382 3.896 ( 7.905 -13.691 -0.915) 15.836 5.416 ( -11.837 20.502 -2.654) 23.822 5.757 ( 0.558 -0.967 -1.271) 1.692 6.067 ( -2.023 3.504 -1.070) 4.186 6.496 ( 5.438 -9.419 -3.214) 11.342 6.555 ( 13.765 -23.841 -5.039) 27.987 7.897 ( -8.357 14.474 1.831) 16.813 8.529 ( 3.886 -6.731 0.807) 7.814 8.802 ( 4.930 -8.540 3.787) 10.563 10.726 ( -2.892 5.009 2.600) 6.341 14.422 ( 1.964 -3.402 -1.074) 4.072 15.882 ( -3.117 5.399 1.894) 6.515 15.982 ( -2.661 4.608 -5.106) 7.375 16.093 ( -1.927 3.337 5.516) 6.729 16.132 ( -2.832 4.906 1.279) 5.807 17.039 ( 3.540 -6.132 9.067) 11.504 17.227 ( 5.061 -8.766 1.755) 10.273 18.523 ( -5.677 9.833 -5.900) 12.795 18.928 ( 3.815 -6.607 -3.925) 8.580 19.408 ( -1.008 1.747 -2.433) 3.160 19.445 ( -0.072 0.124 -0.474) 0.495 19.736 ( 0.116 -0.200 -4.500) 4.506 ======================= Grid point 491 (94/120) ======================= q-point: (-0.36 0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 3.116 5.398 0.868) 6.293 1.967 ( -3.392 -5.875 4.919) 8.380 3.048 ( 14.944 25.884 0.280) 29.889 3.169 ( 1.040 1.802 -3.228) 3.841 3.429 ( -4.342 -7.521 -1.725) 8.854 3.634 ( -3.478 -6.024 0.821) 7.004 5.739 ( 3.588 6.214 -3.224) 7.866 5.741 ( -0.788 -1.365 -1.965) 2.519 6.000 ( -3.573 -6.188 -0.011) 7.145 6.331 ( -2.612 -4.524 -6.127) 8.052 6.371 ( -2.405 -4.165 -3.588) 6.000 8.143 ( 3.744 6.485 0.150) 7.490 8.322 ( 8.841 15.313 3.961) 18.120 8.755 ( -12.473 -21.603 3.251) 25.156 10.775 ( 1.544 2.674 2.919) 4.250 14.388 ( -1.456 -2.521 -1.326) 3.199 15.929 ( 4.380 7.586 1.858) 8.954 16.028 ( 2.536 4.392 -3.318) 6.061 16.158 ( -0.961 -1.664 1.455) 2.410 16.164 ( -1.815 -3.144 5.028) 6.201 17.001 ( 0.476 0.824 5.270) 5.355 17.109 ( -3.457 -5.988 3.421) 7.714 18.659 ( 3.522 6.100 -4.374) 8.291 18.825 ( -3.081 -5.336 -4.312) 7.520 19.432 ( 0.432 0.748 -1.893) 2.081 19.441 ( 0.166 0.288 -1.150) 1.197 19.733 ( 0.121 0.210 -4.488) 4.495 ======================= Grid point 532 (95/120) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 0.000 9.777) 9.777 1.651 ( 0.000 -0.000 9.777) 9.777 2.314 ( 0.000 0.000 -6.386) 6.386 2.314 ( 0.000 -0.000 -6.386) 6.386 2.611 ( 0.000 0.000 11.103) 11.103 4.330 ( 0.000 0.000 -3.351) 3.351 4.599 ( 0.000 -0.000 0.578) 0.578 5.470 ( 0.000 0.000 -1.774) 1.774 5.470 ( 0.000 -0.000 -1.774) 1.774 7.501 ( 0.000 -0.000 3.017) 3.017 7.614 ( 0.000 0.000 -4.631) 4.631 8.672 ( 0.000 0.000 0.959) 0.959 8.672 ( 0.000 -0.000 0.959) 0.959 9.152 ( 0.000 0.000 -0.304) 0.304 9.152 ( 0.000 -0.000 -0.304) 0.304 14.698 ( 0.000 0.000 -0.560) 0.560 14.698 ( 0.000 -0.000 -0.560) 0.560 15.446 ( 0.000 0.000 2.425) 2.425 15.446 ( 0.000 -0.000 2.425) 2.425 16.126 ( 0.000 0.000 0.619) 0.619 16.126 ( 0.000 -0.000 0.619) 0.619 17.821 ( 0.000 -0.000 0.343) 0.343 19.127 ( -0.000 0.000 -1.094) 1.094 19.127 ( 0.000 -0.000 -1.094) 1.094 19.223 ( 0.000 0.000 -0.031) 0.031 19.244 ( 0.000 0.000 -0.249) 0.249 20.081 ( 0.000 0.000 0.041) 0.041 ======================= Grid point 533 (96/120) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -8.442 8.114 11.382) 16.330 1.928 ( 23.675 -4.255 0.827) 24.069 2.258 ( -4.127 2.128 4.817) 6.690 2.465 ( 7.849 6.457 -9.719) 14.063 2.573 ( 0.632 -0.006 6.817) 6.846 4.167 ( -11.221 -6.993 -0.312) 13.226 4.575 ( -2.069 -1.400 0.449) 2.538 5.489 ( 1.932 0.985 -1.724) 2.770 5.536 ( 4.628 3.586 -1.991) 6.184 7.435 ( -5.653 -2.854 1.098) 6.427 7.561 ( -3.479 -2.564 -2.329) 4.909 8.605 ( -4.215 -4.792 0.834) 6.437 8.797 ( -0.529 1.763 -0.759) 1.991 9.199 ( 7.164 12.187 0.498) 14.146 9.242 ( 10.664 -1.698 -0.888) 10.835 14.695 ( -0.755 1.230 -0.340) 1.483 14.793 ( 8.442 3.456 -0.663) 9.146 15.476 ( 2.779 1.302 2.273) 3.818 15.559 ( 7.623 4.219 1.531) 8.846 16.113 ( -1.307 0.018 0.687) 1.477 16.262 ( 13.185 7.598 -0.149) 15.218 17.799 ( -1.966 -1.208 0.343) 2.332 19.036 ( -8.825 -3.321 -0.596) 9.448 19.117 ( -0.229 -1.906 -1.321) 2.330 19.230 ( 0.430 0.507 -0.588) 0.888 19.272 ( 2.306 1.392 -0.155) 2.698 19.986 ( -7.144 -4.742 0.450) 8.587 ======================= Grid point 534 (97/120) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -6.814 2.792 3.748) 8.263 2.128 ( -8.540 -1.256 9.972) 13.189 2.178 ( 8.975 -2.194 -3.687) 9.948 2.687 ( 10.626 1.129 2.741) 11.032 2.796 ( 14.280 11.601 -6.152) 19.399 3.995 ( 0.716 0.398 3.347) 3.445 4.493 ( -4.965 -3.549 0.134) 6.105 5.561 ( 4.436 2.644 -1.605) 5.408 5.660 ( 4.939 3.724 -1.291) 6.319 7.269 ( -9.176 -4.649 -0.756) 10.315 7.476 ( -2.887 -2.646 -0.356) 3.932 8.456 ( -5.218 -8.806 0.770) 10.265 8.557 ( -19.876 -5.918 -1.173) 20.772 9.420 ( 7.790 7.231 0.159) 10.629 9.632 ( 21.479 10.019 -1.018) 23.722 14.699 ( -0.149 1.174 -0.305) 1.222 15.014 ( 10.848 5.275 -0.187) 12.064 15.572 ( 6.253 3.260 1.639) 7.240 15.690 ( 3.581 2.021 -0.040) 4.112 16.095 ( -0.792 0.808 0.952) 1.479 16.737 ( 26.588 16.043 -0.880) 31.066 17.730 ( -3.996 -2.553 0.353) 4.755 18.752 ( -17.760 -7.964 -0.815) 19.481 19.082 ( -1.279 -2.538 -1.372) 3.156 19.247 ( 0.916 0.553 -1.003) 1.466 19.339 ( 3.202 2.055 0.016) 3.805 19.803 ( -6.817 -5.805 0.829) 8.992 ======================= Grid point 535 (98/120) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -5.515 -0.779 -2.466) 6.091 2.002 ( -5.882 2.250 6.253) 8.875 2.283 ( 5.574 -1.203 -0.673) 5.742 2.873 ( 7.229 5.351 2.793) 9.417 3.002 ( 4.641 -0.710 -4.336) 6.391 4.306 ( 20.213 12.480 3.051) 23.951 4.333 ( -4.265 -4.225 -0.248) 6.008 5.690 ( 6.759 4.121 -1.465) 8.051 5.766 ( 4.002 2.427 -0.320) 4.692 7.037 ( -11.686 -6.083 -1.339) 13.242 7.432 ( 0.114 -0.766 0.244) 0.812 8.074 ( -22.198 -16.299 -0.622) 27.546 8.271 ( -10.581 -2.533 0.002) 10.880 9.623 ( 7.840 6.129 0.183) 9.953 10.029 ( 14.547 7.337 -0.354) 16.297 14.712 ( 0.404 0.854 -0.204) 0.967 15.201 ( 5.413 2.424 0.309) 5.939 15.738 ( 2.216 0.173 -1.358) 2.604 15.772 ( 10.111 7.665 0.016) 12.688 16.125 ( 2.742 3.141 1.730) 4.514 17.373 ( 26.325 16.699 2.014) 31.240 17.613 ( -5.931 -3.848 0.414) 7.082 18.311 ( -21.415 -10.596 -2.768) 24.053 19.025 ( -2.222 -3.069 -1.545) 4.092 19.270 ( 1.272 0.411 -1.137) 1.755 19.407 ( 2.272 1.662 0.130) 2.818 19.662 ( -3.572 -4.751 0.557) 5.971 ======================= Grid point 536 (99/120) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -4.271 -0.313 -5.657) 7.095 1.961 ( -1.742 1.880 3.074) 4.003 2.342 ( 1.934 0.059 1.147) 2.249 2.988 ( 2.004 0.858 2.386) 3.232 3.117 ( 9.794 4.091 -2.294) 10.860 4.080 ( -11.984 -8.241 0.110) 14.544 4.950 ( 29.375 16.326 0.680) 33.614 5.840 ( 4.235 0.026 0.612) 4.279 5.865 ( 6.263 5.666 -1.704) 8.615 6.772 ( -11.378 -5.819 -1.386) 12.855 7.472 ( 3.977 1.591 0.479) 4.310 7.506 ( -25.091 -15.403 -0.636) 29.448 8.059 ( -10.220 -4.266 0.063) 11.074 9.793 ( 5.533 4.593 0.251) 7.195 10.274 ( 7.937 3.999 0.248) 8.891 14.727 ( 0.622 0.315 -0.055) 0.699 15.252 ( 0.222 -0.019 0.189) 0.292 15.760 ( 0.006 1.381 -3.476) 3.741 16.035 ( 10.010 6.084 -0.472) 11.724 16.273 ( 9.305 7.110 2.849) 12.052 17.454 ( -7.757 -4.884 0.725) 9.195 17.730 ( -11.017 -1.876 13.148) 17.256 18.043 ( 11.953 5.020 -12.070) 17.713 18.943 ( -3.505 -3.735 -1.867) 5.452 19.300 ( 1.741 0.561 -1.058) 2.112 19.439 ( 0.085 0.527 0.252) 0.590 19.583 ( -1.018 -3.764 -0.111) 3.901 ======================= Grid point 537 (100/120) ======================= q-point: ( 0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -2.780 0.984 -6.766) 7.381 1.965 ( 0.023 0.861 0.562) 1.028 2.357 ( -0.377 1.003 3.215) 3.389 3.016 ( 1.236 -0.440 0.215) 1.329 3.357 ( 10.915 4.952 -0.993) 12.027 3.789 ( -10.922 -7.558 1.106) 13.328 5.543 ( 21.120 11.068 -1.120) 23.870 5.884 ( 1.976 -1.793 1.068) 2.874 5.956 ( -3.086 0.390 -2.167) 3.791 6.637 ( 2.569 2.183 -0.712) 3.446 6.958 ( -20.825 -12.572 -0.320) 24.328 7.586 ( 5.047 3.413 0.643) 6.127 7.858 ( -7.565 -3.449 0.016) 8.314 9.890 ( 1.662 2.299 0.299) 2.852 10.387 ( 2.573 1.143 0.507) 2.861 14.737 ( 0.450 -0.228 0.054) 0.507 15.242 ( -0.613 -0.045 -0.023) 0.615 15.768 ( -0.695 1.626 -4.512) 4.846 16.192 ( 3.599 2.203 -0.340) 4.233 16.531 ( 8.589 7.332 3.059) 11.700 17.245 ( -9.128 -5.008 2.125) 10.627 17.477 ( -6.604 -2.614 4.182) 8.242 18.357 ( 9.807 5.359 -2.540) 11.461 18.840 ( -3.297 -3.574 -2.626) 5.526 19.338 ( 1.632 0.457 -0.694) 1.831 19.427 ( -1.257 -0.022 0.347) 1.304 19.549 ( 0.836 -3.069 -0.907) 3.307 ======================= Grid point 544 (101/120) ======================= q-point: ( 0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.318 0.551 -9.835) 9.855 1.885 ( 1.556 2.695 13.403) 13.760 2.357 ( 3.110 5.386 9.160) 11.072 2.455 ( 0.408 0.707 0.732) 1.096 2.778 ( 8.325 14.419 -6.267) 17.790 4.006 ( -2.906 -5.034 2.856) 6.477 4.517 ( -2.693 -4.664 0.758) 5.438 5.534 ( 2.243 3.885 -1.724) 4.806 5.636 ( 3.120 5.403 -2.464) 6.708 7.327 ( -4.533 -7.852 -1.057) 9.128 7.491 ( -2.136 -3.700 0.248) 4.280 8.389 ( -8.554 -14.815 1.650) 17.187 8.907 ( 0.343 0.595 -1.823) 1.948 9.126 ( -0.425 -0.736 -1.449) 1.680 9.604 ( 13.096 22.683 0.410) 26.195 14.693 ( -0.614 -1.063 -1.527) 1.959 14.964 ( 7.391 12.801 0.384) 14.786 15.521 ( 1.976 3.422 2.273) 4.559 15.673 ( 3.382 5.858 0.638) 6.794 16.107 ( -0.215 -0.372 -0.205) 0.476 16.584 ( 14.207 24.608 -1.445) 28.451 17.751 ( -2.129 -3.688 0.541) 4.292 18.867 ( -8.095 -14.022 -3.172) 16.499 19.081 ( -1.051 -1.820 0.636) 2.195 19.240 ( 0.273 0.472 -1.030) 1.165 19.321 ( 1.924 3.332 -0.193) 3.852 19.836 ( -5.266 -9.121 2.435) 10.809 ======================= Grid point 545 (102/120) ======================= q-point: ( 0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -12.836 11.310 -4.235) 17.624 1.961 ( 8.893 -7.712 -1.109) 11.823 2.350 ( -7.937 11.818 6.197) 15.527 2.666 ( 17.107 -1.557 2.671) 17.384 2.968 ( 2.108 3.687 -1.660) 4.560 4.123 ( 13.113 13.565 2.962) 19.098 4.389 ( -5.720 -6.921 1.185) 9.057 5.642 ( 4.620 5.732 -1.812) 7.582 5.724 ( 2.875 2.108 -1.052) 3.717 7.134 ( -8.177 -8.910 -2.089) 12.272 7.443 ( -0.883 0.103 1.346) 1.614 8.041 ( -10.185 -23.845 1.224) 25.958 8.708 ( -23.066 10.109 -1.885) 25.255 9.286 ( 20.058 -12.089 -1.293) 23.455 10.020 ( 9.423 20.781 0.381) 22.821 14.668 ( 0.576 -3.688 -1.006) 3.866 15.227 ( 5.047 15.151 0.621) 15.982 15.624 ( 7.199 2.441 1.479) 7.744 15.775 ( 2.329 6.072 -1.718) 6.726 16.114 ( 1.060 1.284 -0.581) 1.764 17.156 ( 21.675 24.984 -1.180) 33.097 17.654 ( -4.118 -5.150 0.850) 6.648 18.499 ( -15.928 -17.409 -4.827) 24.085 19.036 ( -1.990 -2.275 0.987) 3.180 19.252 ( 0.934 0.128 -0.737) 1.197 19.390 ( 2.214 2.815 -0.284) 3.593 19.673 ( -4.175 -6.633 4.043) 8.819 ======================= Grid point 546 (103/120) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -11.652 13.972 -6.079) 19.182 2.028 ( 1.492 3.001 -2.552) 4.212 2.346 ( -3.469 6.360 4.378) 8.464 2.933 ( 13.277 1.751 3.239) 13.779 2.987 ( 1.503 -0.596 -0.887) 1.844 4.183 ( -9.470 -8.432 1.634) 12.784 4.631 ( 25.347 17.010 2.063) 30.595 5.760 ( 3.412 0.143 0.201) 3.420 5.818 ( 6.170 5.217 -1.425) 8.205 6.885 ( -10.290 -9.103 -2.331) 13.935 7.469 ( -0.073 3.068 1.167) 3.283 7.584 ( -12.111 -25.289 0.777) 28.050 8.406 ( -23.048 9.288 -1.856) 24.919 9.495 ( 18.659 -13.513 -1.219) 23.071 10.318 ( 3.972 16.674 0.601) 17.151 14.642 ( 2.359 -6.690 -0.267) 7.099 15.380 ( -3.717 14.113 0.610) 14.607 15.773 ( 3.953 3.655 -2.129) 5.790 15.928 ( 8.721 7.983 -2.292) 12.044 16.191 ( 6.068 3.372 -0.068) 6.942 17.512 ( -5.716 -6.316 1.182) 8.600 17.727 ( 16.583 17.083 6.296) 24.627 18.043 ( -14.433 -15.113 -10.648) 23.454 18.967 ( -3.137 -2.892 0.820) 4.344 19.276 ( 1.615 0.339 -0.423) 1.703 19.439 ( 0.920 1.366 -0.394) 1.694 19.565 ( -2.005 -4.840 4.566) 6.950 ======================= Grid point 547 (104/120) ======================= q-point: ( 0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -11.515 16.850 -8.452) 22.090 2.070 ( -4.478 10.885 -0.821) 11.799 2.349 ( -0.069 0.157 2.095) 2.102 2.994 ( 1.195 0.363 2.288) 2.607 3.206 ( 13.112 4.839 0.638) 13.992 3.910 ( -12.059 -8.642 2.313) 15.015 5.236 ( 26.757 12.176 1.047) 29.416 5.796 ( 3.533 -4.265 1.879) 5.848 5.978 ( 4.068 5.448 -2.026) 7.094 6.638 ( -6.775 -7.826 -2.222) 10.587 7.050 ( -14.090 -26.496 0.455) 30.013 7.616 ( 3.219 12.249 0.363) 12.670 8.114 ( -20.013 6.348 -1.491) 21.048 9.642 ( 14.927 -15.353 -1.185) 21.446 10.488 ( -1.228 13.380 0.634) 13.451 14.620 ( 4.090 -8.863 0.265) 9.765 15.415 ( -7.488 13.951 0.080) 15.833 15.834 ( -1.653 6.235 -5.961) 8.783 16.136 ( 6.516 4.138 -0.791) 7.759 16.407 ( 12.703 5.984 -0.405) 14.047 17.334 ( -7.839 -7.243 1.467) 10.773 17.568 ( -12.099 -11.785 2.661) 17.098 18.226 ( 14.130 10.957 -4.071) 18.338 18.870 ( -4.304 -3.711 0.275) 5.690 19.314 ( 1.978 0.909 -0.215) 2.188 19.445 ( -0.824 -0.045 -0.485) 0.957 19.505 ( -0.047 -3.970 4.594) 6.072 ======================= Grid point 548 (105/120) ======================= q-point: ( 0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -10.858 18.806 -9.178) 23.575 2.087 ( -7.438 12.883 0.113) 14.877 2.348 ( 1.258 -2.178 1.018) 2.713 3.009 ( 0.126 -0.218 1.587) 1.607 3.411 ( 0.541 -0.937 0.862) 1.384 3.693 ( 0.454 -0.787 3.273) 3.397 5.633 ( 2.379 -4.121 0.383) 4.774 5.782 ( 3.134 -5.428 2.238) 6.655 5.999 ( -2.032 3.520 -2.237) 4.639 6.632 ( 3.852 -6.673 -1.850) 7.924 6.662 ( 6.296 -10.905 0.383) 12.597 7.786 ( -8.150 14.116 -0.230) 16.301 7.894 ( -4.198 7.272 -1.063) 8.464 9.694 ( 10.325 -17.884 -1.171) 20.684 10.543 ( -6.093 10.553 0.608) 12.200 14.610 ( 5.378 -9.315 0.445) 10.765 15.417 ( -8.290 14.358 -0.149) 16.580 15.850 ( -3.716 6.436 -7.002) 10.211 16.214 ( 0.038 -0.066 -0.355) 0.363 16.600 ( 0.686 -1.188 -1.552) 2.071 17.169 ( 1.021 -1.768 2.042) 2.887 17.411 ( 2.246 -3.890 2.032) 4.931 18.430 ( -0.944 1.635 -1.411) 2.357 18.790 ( 0.636 -1.101 -0.409) 1.336 19.343 ( -0.044 0.076 0.179) 0.199 19.430 ( -0.106 0.184 -0.994) 1.016 19.485 ( 1.815 -3.144 4.700) 5.939 ======================= Grid point 557 (106/120) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.060 -0.104 -4.852) 4.854 1.945 ( 5.705 9.882 -4.917) 12.425 2.591 ( 4.013 6.950 4.263) 9.087 2.658 ( 3.762 6.516 1.778) 7.732 2.982 ( -0.295 -0.510 2.082) 2.164 4.225 ( -5.602 -9.703 2.289) 11.435 4.487 ( 12.684 21.969 2.375) 25.478 5.735 ( -0.301 -0.521 0.563) 0.824 5.783 ( 4.690 8.123 -2.058) 9.603 6.931 ( -6.634 -11.491 -2.621) 13.525 7.499 ( 3.320 5.750 1.499) 6.806 7.542 ( -15.500 -26.847 1.080) 31.019 8.823 ( -2.276 -3.943 -2.891) 5.393 9.094 ( -1.076 -1.864 -0.948) 2.353 10.373 ( 8.571 14.845 0.559) 17.151 14.583 ( -2.645 -4.581 -0.391) 5.305 15.541 ( 8.287 14.354 0.365) 16.579 15.690 ( 2.996 5.189 1.014) 6.077 15.916 ( 4.871 8.437 -4.697) 10.815 16.150 ( 1.501 2.599 -1.489) 3.350 17.530 ( -4.259 -7.376 1.443) 8.639 17.656 ( 13.995 24.240 1.810) 28.048 18.100 ( -12.565 -21.762 -9.120) 26.733 18.983 ( -1.880 -3.256 1.970) 4.244 19.261 ( 0.531 0.919 0.109) 1.067 19.438 ( 1.033 1.788 -0.563) 2.140 19.558 ( -2.846 -4.929 6.463) 8.612 ======================= Grid point 558 (107/120) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -5.040 9.010 -8.585) 13.427 2.137 ( 6.291 5.211 -1.940) 8.396 2.569 ( -14.004 18.139 2.230) 23.024 2.962 ( 17.291 1.444 4.384) 17.896 2.989 ( 3.186 0.884 -0.009) 3.307 4.006 ( -8.961 -9.629 3.147) 13.525 4.953 ( 19.642 15.901 2.439) 25.389 5.716 ( 0.697 -3.476 2.151) 4.147 5.952 ( 5.560 7.521 -2.257) 9.621 6.693 ( -8.661 -10.000 -2.854) 13.534 6.999 ( -14.387 -29.941 0.990) 33.233 7.669 ( 5.610 12.812 0.506) 13.995 8.576 ( -23.010 7.202 -2.708) 24.262 9.188 ( 17.081 -16.633 -1.494) 23.888 10.604 ( 3.140 11.891 0.451) 12.307 14.500 ( -0.110 -6.921 0.163) 6.924 15.685 ( -5.879 15.550 0.271) 16.627 15.870 ( 7.916 5.708 -2.164) 9.997 16.096 ( 3.689 9.452 -5.073) 11.344 16.249 ( 9.439 2.409 -2.315) 10.012 17.371 ( -5.429 -7.854 1.904) 9.736 17.638 ( -13.120 -18.741 -0.662) 22.887 18.122 ( 12.878 16.122 -4.913) 21.211 18.903 ( -3.498 -3.828 1.817) 5.495 19.291 ( 1.699 1.331 0.634) 2.249 19.453 ( -0.275 -0.074 -0.727) 0.781 19.479 ( -1.417 -3.843 8.043) 9.026 ======================= Grid point 559 (108/120) ======================= q-point: ( 0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -6.468 11.410 -9.066) 15.944 2.257 ( 5.138 -1.347 -1.621) 5.554 2.509 ( -16.335 23.547 1.246) 28.686 3.008 ( 0.487 1.006 2.719) 2.939 3.298 ( 13.976 3.874 2.514) 14.719 3.747 ( -9.523 -7.826 3.460) 12.803 5.430 ( 19.117 8.156 2.134) 20.893 5.694 ( 1.472 -5.448 2.997) 6.390 6.069 ( -1.246 3.043 -2.017) 3.857 6.447 ( -2.801 -14.473 -0.772) 14.762 6.566 ( -4.787 -17.449 -1.536) 18.159 7.929 ( 6.535 18.337 -0.974) 19.490 8.247 ( -23.043 6.785 -1.987) 24.103 9.281 ( 14.739 -20.410 -1.768) 25.237 10.716 ( -2.025 9.219 0.282) 9.443 14.451 ( 2.724 -7.409 0.414) 7.905 15.715 ( -8.042 15.237 0.149) 17.230 15.995 ( -2.143 9.608 -6.967) 12.060 16.193 ( 2.217 1.533 -0.754) 2.799 16.489 ( 11.385 1.747 -5.906) 12.944 17.181 ( -6.992 -7.594 1.503) 10.431 17.334 ( -2.086 -11.048 0.325) 11.248 18.427 ( 6.660 9.033 -1.588) 11.334 18.795 ( -3.601 -3.937 1.145) 5.457 19.338 ( 1.627 1.558 0.687) 2.355 19.424 ( -0.609 -2.732 3.180) 4.237 19.444 ( -0.019 -1.517 5.024) 5.248 ======================= Grid point 565 (109/120) ======================= q-point: (-0.09 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.826 1.431 13.413) 13.514 2.071 ( 6.360 -11.016 0.352) 12.725 2.345 ( -7.068 12.242 2.812) 14.412 2.525 ( -2.478 4.292 -7.607) 9.079 2.735 ( -9.467 16.397 1.323) 18.979 4.012 ( 3.272 -5.667 2.323) 6.944 4.527 ( 2.288 -3.963 -0.308) 4.586 5.534 ( -2.134 3.696 -1.679) 4.586 5.617 ( -3.002 5.200 -0.517) 6.026 7.315 ( 4.761 -8.246 0.057) 9.522 7.509 ( 1.751 -3.033 -1.489) 3.806 8.418 ( 8.461 -14.654 -1.236) 16.966 8.892 ( -0.378 0.654 -0.319) 0.820 9.091 ( 0.539 -0.934 2.108) 2.368 9.626 ( -12.919 22.376 -1.758) 25.897 14.669 ( 0.672 -1.164 0.949) 1.646 14.982 ( -7.407 12.829 -1.325) 14.873 15.527 ( -2.081 3.604 1.686) 4.490 15.678 ( -3.249 5.628 0.145) 6.500 16.085 ( 0.819 -1.419 1.913) 2.519 16.573 ( -13.747 23.810 -0.367) 27.496 17.755 ( 1.979 -3.427 0.154) 3.961 18.825 ( 8.938 -15.480 1.110) 17.910 19.116 ( 0.560 -0.971 -2.831) 3.044 19.237 ( -0.408 0.706 -0.697) 1.073 19.318 ( -1.801 3.119 0.135) 3.604 19.866 ( 4.189 -7.256 -0.777) 8.415 ======================= Grid point 569 (110/120) ======================= q-point: ( 0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 2.956 5.120 -9.089) 10.843 2.176 ( -0.198 -0.343 -1.765) 1.809 2.960 ( 5.262 9.115 5.589) 11.917 3.012 ( 0.937 1.623 1.720) 2.544 3.029 ( 8.049 13.941 -0.076) 16.098 3.800 ( -6.574 -11.387 3.329) 13.563 5.282 ( 10.478 18.149 2.947) 21.163 5.649 ( -1.625 -2.815 3.299) 4.631 6.091 ( 2.935 5.083 -2.204) 6.270 6.420 ( -15.069 -26.100 1.031) 30.155 6.507 ( -5.295 -9.172 -3.289) 11.090 7.964 ( 9.538 16.520 -1.131) 19.109 8.624 ( -3.203 -5.547 -3.366) 7.236 8.910 ( -4.689 -8.122 -1.081) 9.441 10.780 ( 3.488 6.042 0.144) 6.978 14.389 ( -2.349 -4.069 0.378) 4.713 15.920 ( 3.387 5.867 0.142) 6.776 16.009 ( 5.706 9.883 -2.058) 11.596 16.247 ( 0.501 0.868 -1.250) 1.602 16.327 ( 5.428 9.402 -11.446) 15.776 17.219 ( -4.136 -7.164 2.350) 8.599 17.283 ( -8.894 -15.404 -1.837) 17.882 18.410 ( 7.255 12.566 -1.698) 14.609 18.811 ( -3.235 -5.603 1.280) 6.595 19.328 ( 1.348 2.335 1.661) 3.167 19.416 ( -1.401 -2.426 9.991) 10.376 19.438 ( -0.842 -1.458 -0.389) 1.728 ======================= Grid point 570 (111/120) ======================= q-point: ( 0.36 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -4.568 7.912 -7.397) 11.755 2.164 ( 3.556 -6.159 -4.001) 8.160 2.997 ( -12.482 21.620 3.165) 25.165 3.026 ( -0.338 0.585 2.873) 2.952 3.299 ( 3.467 -6.006 4.240) 8.128 3.622 ( 2.132 -3.693 1.325) 4.466 5.586 ( -4.367 7.563 2.860) 9.190 5.610 ( 1.174 -2.033 3.602) 4.300 5.954 ( 7.874 -13.638 1.889) 15.860 6.260 ( -0.679 1.176 -2.782) 3.096 6.383 ( 3.219 -5.576 -3.388) 7.276 8.228 ( -4.200 7.274 -3.495) 9.097 8.436 ( -9.056 15.686 -1.209) 18.153 8.866 ( 12.068 -20.902 -1.676) 24.194 10.840 ( -1.851 3.205 0.001) 3.701 14.348 ( 1.578 -2.734 0.429) 3.186 15.967 ( -5.098 8.830 0.152) 10.198 16.180 ( -3.744 6.484 -4.180) 8.575 16.190 ( 0.172 -0.298 -0.096) 0.357 16.460 ( 2.232 -3.865 -14.825) 15.482 17.088 ( 0.456 -0.790 1.867) 2.078 17.156 ( 3.862 -6.689 1.549) 7.878 18.574 ( -3.204 5.549 -0.734) 6.449 18.716 ( 2.199 -3.809 0.502) 4.426 19.372 ( -0.806 1.397 0.632) 1.732 19.379 ( 0.559 -0.969 10.559) 10.618 19.415 ( 0.903 -1.563 1.387) 2.277 ======================= Grid point 576 (112/120) ======================= q-point: (-0.18 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.924 10.871 5.544) 13.159 1.894 ( -1.857 -10.899 6.736) 12.947 2.419 ( 6.612 11.131 -1.665) 13.054 2.692 ( -13.051 -2.359 -0.973) 13.299 3.012 ( -4.070 7.690 -5.083) 10.077 4.114 ( -13.307 13.358 4.086) 19.293 4.414 ( 5.661 -5.544 -1.308) 8.031 5.637 ( -4.541 5.397 -1.281) 7.169 5.715 ( -3.753 2.533 -0.131) 4.530 7.119 ( 7.951 -9.427 -0.499) 12.342 7.465 ( 1.404 0.654 -0.978) 1.832 8.070 ( 10.234 -23.785 -1.768) 25.954 8.680 ( 23.557 9.932 0.902) 25.582 9.258 ( -20.573 -12.663 1.535) 24.206 10.036 ( -9.158 20.531 -1.166) 22.511 14.651 ( -1.234 -3.582 0.774) 3.867 15.244 ( -4.752 15.470 -0.991) 16.214 15.632 ( -7.303 2.582 0.715) 7.779 15.760 ( -1.223 4.551 -0.234) 4.718 16.075 ( -1.504 -0.566 3.185) 3.567 17.128 ( -21.401 23.045 1.702) 31.495 17.663 ( 4.113 -4.614 -0.091) 6.181 18.446 ( 14.553 -18.708 0.617) 23.710 19.079 ( 2.653 -0.790 -3.296) 4.304 19.258 ( -1.148 0.776 -1.300) 1.900 19.383 ( -2.217 2.440 0.464) 3.329 19.735 ( 4.526 -3.555 -2.434) 6.249 ======================= Grid point 588 (113/120) ======================= q-point: (-0.27 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 10.559 11.334 -0.675) 15.506 1.930 ( -4.373 1.960 7.174) 8.628 2.399 ( 5.373 5.678 -0.894) 7.868 2.899 ( -11.509 1.128 3.101) 11.973 3.073 ( -1.450 2.091 -6.000) 6.517 4.217 ( 9.986 -6.636 -1.735) 12.115 4.641 ( -25.863 18.141 1.122) 31.611 5.771 ( -4.763 1.977 -1.153) 5.284 5.808 ( -5.451 4.049 -0.278) 6.796 6.868 ( 10.041 -9.803 -0.582) 14.045 7.483 ( 0.488 3.637 -0.356) 3.686 7.611 ( 12.900 -25.624 -1.908) 28.751 8.372 ( 22.749 8.582 1.530) 24.362 9.468 ( -19.064 -14.276 1.567) 23.868 10.326 ( -3.769 16.283 -0.212) 16.715 14.638 ( -2.912 -6.303 0.148) 6.945 15.390 ( 4.395 14.102 -0.322) 14.775 15.760 ( -1.512 2.424 -1.313) 3.144 15.903 ( -11.085 6.606 0.669) 12.921 16.146 ( -6.984 1.349 4.326) 8.325 17.525 ( 5.993 -5.672 -0.065) 8.252 17.635 ( -12.573 7.126 12.643) 19.201 18.054 ( 7.941 -8.032 -8.894) 14.376 19.011 ( 4.106 -1.369 -3.505) 5.569 19.289 ( -1.338 1.154 -1.676) 2.435 19.429 ( -1.020 0.976 0.600) 1.534 19.646 ( 3.370 -0.948 -3.727) 5.113 ======================= Grid point 589 (114/120) ======================= q-point: (-0.18 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 2.063 -3.573 4.835) 6.356 1.856 ( -8.137 14.094 4.241) 16.817 2.636 ( -1.676 2.902 -0.386) 3.373 2.646 ( -4.028 6.977 1.860) 8.268 3.076 ( -0.333 0.576 -6.419) 6.454 4.274 ( 5.013 -8.682 -2.599) 10.357 4.496 ( -13.652 23.647 1.651) 27.355 5.747 ( -0.541 0.938 -0.598) 1.237 5.770 ( -4.456 7.717 -0.772) 8.945 6.908 ( 6.810 -11.795 -0.325) 13.624 7.519 ( -2.899 5.021 -0.602) 5.829 7.574 ( 15.389 -26.655 -2.159) 30.854 8.786 ( 2.779 -4.813 0.848) 5.622 9.058 ( 1.089 -1.886 2.624) 3.410 10.380 ( -8.273 14.329 -0.180) 16.547 14.575 ( 2.228 -3.859 0.349) 4.469 15.562 ( -8.194 14.193 -1.684) 16.475 15.694 ( -2.786 4.825 0.581) 5.602 15.859 ( -3.400 5.889 1.094) 6.888 16.086 ( -1.147 1.986 4.873) 5.385 17.549 ( 4.006 -6.938 -0.512) 8.028 17.551 ( -8.980 15.554 10.976) 21.048 18.086 ( 7.898 -13.680 -6.066) 16.921 19.042 ( 1.750 -3.030 -3.897) 5.237 19.282 ( -0.932 1.614 -1.960) 2.705 19.425 ( -0.970 1.680 0.711) 2.066 19.671 ( 1.635 -2.832 -5.187) 6.132 ======================= Grid point 600 (115/120) ======================= q-point: (-0.36 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 10.182 13.439 -2.020) 16.981 2.025 ( 0.804 10.332 3.912) 11.077 2.347 ( 3.192 -0.773 2.127) 3.913 3.023 ( -1.282 2.089 -0.580) 2.519 3.235 ( -12.369 6.112 -2.338) 13.993 3.948 ( 13.107 -7.038 -1.466) 14.950 5.262 ( -26.516 13.848 -1.571) 29.956 5.832 ( -3.707 -2.869 -1.570) 4.944 5.959 ( -3.997 5.067 -0.286) 6.460 6.618 ( 6.357 -8.458 -0.293) 10.585 7.070 ( 14.988 -26.194 -1.562) 30.219 7.612 ( -2.588 11.434 0.708) 11.744 8.083 ( 19.027 5.388 1.600) 19.840 9.613 ( -15.421 -16.265 1.673) 22.476 10.490 ( 1.214 12.871 0.454) 12.936 14.626 ( -4.303 -8.455 -0.405) 9.496 15.414 ( 7.888 13.815 0.198) 15.910 15.785 ( 1.331 3.488 -1.281) 3.947 16.129 ( -7.196 3.822 -0.024) 8.148 16.351 ( -13.340 2.926 5.451) 14.704 17.336 ( 9.085 -7.961 1.737) 12.204 17.504 ( 6.902 -11.805 7.830) 15.757 18.244 ( -12.475 10.766 -5.155) 17.266 18.912 ( 5.225 -2.324 -3.767) 6.848 19.327 ( -1.531 1.616 -1.533) 2.703 19.433 ( 0.837 -0.427 0.497) 1.063 19.599 ( 1.974 0.553 -4.695) 5.123 ======================= Grid point 601 (116/120) ======================= q-point: (-0.27 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 3.507 6.059 3.844) 7.987 2.086 ( -4.687 7.966 3.234) 9.792 2.577 ( 13.256 16.093 1.118) 20.879 2.940 ( -16.251 2.984 2.211) 16.670 3.096 ( -3.777 0.685 -6.380) 7.446 4.067 ( 9.223 -8.782 -2.993) 13.082 4.994 ( -20.166 17.675 -1.628) 26.864 5.756 ( -1.444 -2.069 -1.855) 3.132 5.931 ( -5.388 7.027 -0.155) 8.856 6.665 ( 8.544 -10.450 -0.036) 13.498 7.034 ( 14.746 -29.447 -2.543) 33.031 7.667 ( -4.800 11.520 0.590) 12.493 8.528 ( 22.792 6.435 2.095) 23.776 9.149 ( -16.995 -16.977 2.428) 24.144 10.601 ( -2.947 11.269 0.746) 11.672 14.506 ( -0.228 -6.438 -0.409) 6.455 15.689 ( 6.212 14.902 -0.135) 16.146 15.839 ( -3.205 5.217 0.269) 6.128 16.032 ( -8.636 6.879 1.775) 11.183 16.174 ( -8.268 1.266 5.542) 10.034 17.392 ( 6.419 -7.776 0.107) 10.084 17.489 ( 7.702 -15.440 11.992) 21.013 18.167 ( -10.186 13.428 -7.272) 18.357 18.960 ( 3.821 -3.964 -3.831) 6.707 19.320 ( -1.385 1.963 -2.213) 3.266 19.442 ( 0.227 0.248 0.462) 0.572 19.625 ( 1.413 -1.107 -6.932) 7.161 ======================= Grid point 610 (117/120) ======================= q-point: (-0.45 0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 9.045 15.666 -2.254) 18.229 2.080 ( 7.624 13.205 0.969) 15.278 2.305 ( -2.345 -4.061 5.245) 7.036 3.042 ( 0.743 1.286 -1.668) 2.233 3.456 ( 0.559 0.968 -3.514) 3.687 3.722 ( 0.212 0.367 0.346) 0.547 5.670 ( -1.368 -2.369 -3.438) 4.393 5.832 ( -2.740 -4.747 -2.615) 6.073 5.968 ( 2.148 3.721 0.780) 4.367 6.608 ( -4.481 -7.761 0.651) 8.985 6.681 ( -5.760 -9.977 -1.457) 11.613 7.765 ( 7.603 13.169 1.871) 15.321 7.875 ( 3.620 6.270 0.876) 7.293 9.666 ( -10.877 -18.840 1.715) 21.822 10.542 ( 5.823 10.086 0.680) 11.666 14.621 ( -5.234 -9.066 -0.613) 10.486 15.412 ( 8.305 14.384 0.388) 16.614 15.790 ( 2.064 3.575 -1.313) 4.332 16.211 ( -0.126 -0.218 -0.042) 0.255 16.524 ( -2.755 -4.771 6.570) 8.574 17.163 ( -1.197 -2.073 2.695) 3.604 17.392 ( -2.521 -4.367 3.503) 6.140 18.435 ( 1.078 1.867 -1.901) 2.874 18.832 ( 0.176 0.305 -4.401) 4.415 19.358 ( 0.427 0.740 -1.326) 1.577 19.412 ( -0.054 -0.094 0.377) 0.392 19.586 ( 0.802 1.389 -5.104) 5.350 ======================= Grid point 612 (118/120) ======================= q-point: (-0.36 0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 5.284 10.186 2.633) 11.773 2.189 ( -4.712 -2.530 5.152) 7.426 2.515 ( 16.717 24.415 0.520) 29.594 3.065 ( -0.117 2.023 -2.908) 3.544 3.353 ( -15.407 5.221 -2.958) 16.535 3.799 ( 10.852 -8.273 -1.845) 13.770 5.490 ( -19.105 9.618 -3.827) 21.730 5.754 ( -1.569 -4.452 -2.967) 5.576 6.043 ( 1.207 2.979 0.500) 3.253 6.446 ( 1.713 -9.730 -0.663) 9.902 6.567 ( 6.706 -22.158 -1.581) 23.205 7.901 ( -5.986 16.825 1.776) 17.946 8.202 ( 22.160 6.395 2.487) 23.198 9.239 ( -14.926 -20.933 2.510) 25.832 10.707 ( 1.921 8.653 1.276) 8.955 14.463 ( -2.807 -7.202 -0.868) 7.778 15.712 ( 8.149 15.108 0.485) 17.173 15.895 ( 2.980 7.470 2.124) 8.318 16.181 ( -3.783 1.382 0.556) 4.066 16.367 ( -10.520 -1.847 7.171) 12.865 17.164 ( 6.428 -7.894 3.630) 10.808 17.305 ( 0.022 -8.684 2.671) 9.085 18.440 ( -6.023 8.907 -2.801) 11.111 18.846 ( 3.491 -4.308 -3.871) 6.763 19.363 ( -1.167 1.933 -1.869) 2.931 19.425 ( 1.366 -0.324 -0.179) 1.415 19.602 ( 0.541 -0.207 -7.759) 7.781 ======================= Grid point 613 (119/120) ======================= q-point: (-0.27 0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -3.390 5.871 5.311) 8.612 2.119 ( 1.528 -2.646 3.978) 5.016 2.991 ( -5.733 9.931 0.199) 11.469 3.026 ( -9.293 16.095 0.273) 18.587 3.108 ( -1.020 1.767 -5.891) 6.235 3.860 ( 7.238 -12.537 -2.715) 14.729 5.350 ( -10.909 18.895 -3.854) 22.156 5.713 ( 1.091 -1.890 -3.093) 3.785 6.062 ( -3.011 5.216 0.663) 6.059 6.468 ( 14.973 -25.934 -3.755) 30.181 6.469 ( 5.440 -9.422 0.430) 10.888 7.933 ( -8.634 14.954 1.894) 17.372 8.564 ( 3.196 -5.536 2.686) 6.934 8.869 ( 4.806 -8.324 3.027) 10.077 10.767 ( -3.246 5.622 1.524) 6.668 14.402 ( 2.211 -3.830 -0.923) 4.518 15.911 ( -3.276 5.674 1.074) 6.639 15.960 ( -4.495 7.786 2.028) 9.216 16.179 ( -3.375 5.846 4.200) 7.950 16.192 ( -1.101 1.907 4.342) 4.869 17.198 ( 6.484 -11.231 6.857) 14.669 17.244 ( 4.378 -7.583 -0.153) 8.758 18.428 ( -7.011 12.143 -3.409) 14.429 18.856 ( 3.707 -6.420 -3.295) 8.113 19.363 ( -1.302 2.255 -2.185) 3.399 19.437 ( 0.439 -0.760 -0.272) 0.919 19.605 ( 0.506 -0.877 -8.825) 8.883 ======================= Grid point 624 (120/120) ======================= q-point: (-0.36 0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 4.779 8.277 4.885) 10.734 2.070 ( -4.209 -7.291 5.479) 10.044 3.039 ( 14.043 24.324 -1.290) 28.116 3.095 ( 0.549 0.950 -4.060) 4.205 3.377 ( -3.523 -6.102 -3.559) 7.894 3.639 ( -3.338 -5.781 -0.332) 6.684 5.660 ( 4.242 7.347 -4.467) 9.588 5.684 ( -0.957 -1.658 -3.703) 4.169 5.989 ( -5.672 -9.825 -1.349) 11.425 6.249 ( -1.131 -1.959 -1.935) 2.977 6.343 ( -3.061 -5.302 0.543) 6.146 8.168 ( 3.676 6.366 2.413) 7.737 8.392 ( 8.949 15.500 3.157) 18.175 8.818 ( -12.000 -20.785 3.085) 24.198 10.822 ( 1.720 2.979 1.818) 3.891 14.363 ( -1.546 -2.677 -1.105) 3.283 15.958 ( 4.838 8.380 1.051) 9.734 16.060 ( 4.741 8.212 6.002) 11.222 16.181 ( -0.372 -0.644 0.863) 1.140 16.271 ( -4.268 -7.392 6.350) 10.639 17.081 ( -0.143 -0.247 2.532) 2.548 17.158 ( -3.406 -5.899 1.383) 6.950 18.590 ( 3.478 6.024 -2.437) 7.371 18.751 ( -2.749 -4.761 -3.058) 6.290 19.396 ( 0.641 1.110 -1.718) 2.143 19.419 ( -0.141 -0.244 -0.984) 1.023 19.595 ( -0.181 -0.313 -9.475) 9.482 =================== 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 3/29403 10.0 966.048 966.048 626.970 -0.000 0.000 0.000 3/29403 20.0 181.709 181.709 142.485 -0.000 -0.000 0.000 3/29403 30.0 97.299 97.299 63.450 -0.000 -0.000 0.000 3/29403 40.0 67.898 67.898 38.868 -0.000 -0.000 0.000 3/29403 50.0 52.539 52.539 27.575 -0.000 -0.000 0.000 3/29403 60.0 43.260 43.260 21.260 -0.000 -0.000 0.000 3/29403 70.0 37.171 37.171 17.281 -0.000 -0.000 0.000 3/29403 80.0 32.882 32.882 14.562 -0.000 -0.000 0.000 3/29403 90.0 29.653 29.653 12.591 -0.000 -0.000 0.000 3/29403 100.0 27.082 27.082 11.097 -0.000 -0.000 0.000 3/29403 110.0 24.948 24.948 9.926 -0.000 -0.000 0.000 3/29403 120.0 23.124 23.124 8.982 -0.000 -0.000 0.000 3/29403 130.0 21.537 21.537 8.205 -0.000 -0.000 0.000 3/29403 140.0 20.139 20.139 7.553 -0.000 -0.000 0.000 3/29403 150.0 18.897 18.897 7.000 -0.000 -0.000 0.000 3/29403 160.0 17.788 17.788 6.523 -0.000 -0.000 0.000 3/29403 170.0 16.792 16.792 6.108 -0.000 -0.000 0.000 3/29403 180.0 15.894 15.894 5.744 -0.000 -0.000 0.000 3/29403 190.0 15.081 15.081 5.422 -0.000 -0.000 0.000 3/29403 200.0 14.343 14.343 5.135 -0.000 -0.000 0.000 3/29403 210.0 13.670 13.670 4.878 -0.000 -0.000 0.000 3/29403 220.0 13.055 13.055 4.645 -0.000 -0.000 0.000 3/29403 230.0 12.491 12.491 4.434 -0.000 -0.000 0.000 3/29403 240.0 11.972 11.972 4.242 -0.000 -0.000 0.000 3/29403 250.0 11.493 11.493 4.067 -0.000 -0.000 0.000 3/29403 260.0 11.050 11.050 3.905 -0.000 -0.000 0.000 3/29403 270.0 10.640 10.640 3.756 -0.000 -0.000 0.000 3/29403 280.0 10.258 10.258 3.619 -0.000 -0.000 0.000 3/29403 290.0 9.903 9.903 3.491 -0.000 -0.000 0.000 3/29403 300.0 9.571 9.571 3.372 -0.000 -0.000 0.000 3/29403 310.0 9.260 9.260 3.261 -0.000 -0.000 0.000 3/29403 320.0 8.969 8.969 3.158 -0.000 -0.000 0.000 3/29403 330.0 8.695 8.695 3.060 -0.000 -0.000 0.000 3/29403 340.0 8.438 8.438 2.969 -0.000 -0.000 0.000 3/29403 350.0 8.195 8.195 2.883 -0.000 -0.000 0.000 3/29403 360.0 7.966 7.966 2.802 -0.000 -0.000 0.000 3/29403 370.0 7.749 7.749 2.725 -0.000 -0.000 0.000 3/29403 380.0 7.544 7.544 2.653 -0.000 -0.000 0.000 3/29403 390.0 7.349 7.349 2.584 -0.000 -0.000 0.000 3/29403 400.0 7.164 7.164 2.519 -0.000 -0.000 0.000 3/29403 410.0 6.988 6.988 2.457 -0.000 -0.000 0.000 3/29403 420.0 6.821 6.821 2.398 -0.000 -0.000 0.000 3/29403 430.0 6.661 6.661 2.342 -0.000 -0.000 0.000 3/29403 440.0 6.509 6.509 2.289 -0.000 -0.000 0.000 3/29403 450.0 6.363 6.363 2.238 -0.000 -0.000 0.000 3/29403 460.0 6.224 6.224 2.189 -0.000 -0.000 0.000 3/29403 470.0 6.091 6.091 2.142 -0.000 -0.000 0.000 3/29403 480.0 5.964 5.964 2.097 -0.000 -0.000 0.000 3/29403 490.0 5.841 5.841 2.054 -0.000 -0.000 0.000 3/29403 500.0 5.724 5.724 2.013 -0.000 -0.000 0.000 3/29403 510.0 5.611 5.611 1.973 -0.000 -0.000 0.000 3/29403 520.0 5.503 5.503 1.935 -0.000 -0.000 0.000 3/29403 530.0 5.398 5.398 1.899 -0.000 -0.000 0.000 3/29403 540.0 5.298 5.298 1.863 -0.000 -0.000 0.000 3/29403 550.0 5.201 5.201 1.830 -0.000 -0.000 0.000 3/29403 560.0 5.108 5.108 1.797 -0.000 -0.000 0.000 3/29403 570.0 5.018 5.018 1.765 -0.000 -0.000 0.000 3/29403 580.0 4.931 4.931 1.735 -0.000 -0.000 0.000 3/29403 590.0 4.848 4.848 1.705 -0.000 -0.000 0.000 3/29403 600.0 4.766 4.766 1.677 -0.000 -0.000 0.000 3/29403 610.0 4.688 4.688 1.649 -0.000 -0.000 0.000 3/29403 620.0 4.612 4.612 1.623 -0.000 -0.000 0.000 3/29403 630.0 4.539 4.539 1.597 -0.000 -0.000 0.000 3/29403 640.0 4.468 4.468 1.572 -0.000 -0.000 0.000 3/29403 650.0 4.399 4.399 1.548 -0.000 -0.000 0.000 3/29403 660.0 4.332 4.332 1.524 -0.000 -0.000 0.000 3/29403 670.0 4.267 4.267 1.502 -0.000 -0.000 0.000 3/29403 680.0 4.204 4.204 1.479 -0.000 -0.000 0.000 3/29403 690.0 4.143 4.143 1.458 -0.000 -0.000 0.000 3/29403 700.0 4.084 4.084 1.437 -0.000 -0.000 0.000 3/29403 710.0 4.026 4.026 1.417 -0.000 -0.000 0.000 3/29403 720.0 3.970 3.970 1.397 -0.000 -0.000 0.000 3/29403 730.0 3.916 3.916 1.378 -0.000 -0.000 0.000 3/29403 740.0 3.863 3.863 1.359 -0.000 -0.000 0.000 3/29403 750.0 3.811 3.811 1.341 -0.000 -0.000 0.000 3/29403 760.0 3.761 3.761 1.324 -0.000 -0.000 0.000 3/29403 770.0 3.712 3.712 1.307 -0.000 -0.000 0.000 3/29403 780.0 3.664 3.664 1.290 -0.000 -0.000 0.000 3/29403 790.0 3.618 3.618 1.273 -0.000 -0.000 0.000 3/29403 800.0 3.573 3.573 1.258 -0.000 -0.000 0.000 3/29403 810.0 3.528 3.528 1.242 -0.000 -0.000 0.000 3/29403 820.0 3.485 3.485 1.227 -0.000 -0.000 0.000 3/29403 830.0 3.443 3.443 1.212 -0.000 -0.000 0.000 3/29403 840.0 3.402 3.402 1.198 -0.000 -0.000 0.000 3/29403 850.0 3.362 3.362 1.184 -0.000 -0.000 0.000 3/29403 860.0 3.323 3.323 1.170 -0.000 -0.000 0.000 3/29403 870.0 3.285 3.285 1.156 -0.000 -0.000 0.000 3/29403 880.0 3.247 3.247 1.143 -0.000 -0.000 0.000 3/29403 890.0 3.211 3.211 1.130 -0.000 -0.000 0.000 3/29403 900.0 3.175 3.175 1.118 -0.000 -0.000 0.000 3/29403 910.0 3.140 3.140 1.106 -0.000 -0.000 0.000 3/29403 920.0 3.106 3.106 1.094 -0.000 -0.000 0.000 3/29403 930.0 3.073 3.073 1.082 -0.000 -0.000 0.000 3/29403 940.0 3.040 3.040 1.070 -0.000 -0.000 0.000 3/29403 950.0 3.008 3.008 1.059 -0.000 -0.000 0.000 3/29403 960.0 2.977 2.977 1.048 -0.000 -0.000 0.000 3/29403 970.0 2.946 2.946 1.037 -0.000 -0.000 0.000 3/29403 980.0 2.916 2.916 1.027 -0.000 -0.000 0.000 3/29403 990.0 2.886 2.886 1.016 -0.000 -0.000 0.000 3/29403 1000.0 2.857 2.857 1.006 -0.000 -0.000 0.000 3/29403 Thermal conductivity related properties were written into "kappa-m11119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|