----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:34:04]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.661633758664758 0.000000000000000 0.000000000000000 b -2.830816879332379 4.903118661927255 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673770370000000 Atomic positions (fractional): *1 F 0.84625911212071 0.69251822424141 0.78178891572928 18.998 2 F 0.30748177575859 0.15374088787929 0.78178891572928 18.998 3 F 0.84625911212071 0.15374088787929 0.78178891572928 18.998 4 F 0.15374088787929 0.30748177575859 0.21821108427072 18.998 5 F 0.69251822424141 0.84625911212071 0.21821108427072 18.998 6 F 0.15374088787929 0.84625911212071 0.21821108427072 18.998 *7 K 0.33333333333333 0.66666666666667 0.70392491190657 39.098 8 K 0.66666666666667 0.33333333333333 0.29607508809343 39.098 *9 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.661633758664758 0.000000000000000 0.000000000000000 b -2.830816879332379 4.903118661927255 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673770370000000 Atomic positions (fractional): *1 F 0.84625911212071 0.69251822424141 0.78178891572928 18.998 > 1 2 F 0.30748177575859 0.15374088787929 0.78178891572928 18.998 > 2 3 F 0.84625911212071 0.15374088787929 0.78178891572928 18.998 > 3 4 F 0.15374088787929 0.30748177575859 0.21821108427072 18.998 > 4 5 F 0.69251822424141 0.84625911212071 0.21821108427072 18.998 > 5 6 F 0.15374088787929 0.84625911212071 0.21821108427072 18.998 > 6 *7 K 0.33333333333333 0.66666666666667 0.70392491190657 39.098 > 7 8 K 0.66666666666667 0.33333333333333 0.29607508809344 39.098 > 8 *9 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.323267517329516 0.000000000000000 0.000000000000000 b -5.661633758664758 9.806237323854511 0.000000000000000 c 0.000000000000000 0.000000000000000 14.021311109999999 Atomic positions (fractional): *1 F 0.42312955606035 0.34625911212070 0.26059630524309 18.998 > 1 2 F 0.92312955606035 0.34625911212070 0.26059630524309 18.998 > 1 3 F 0.42312955606035 0.84625911212071 0.26059630524309 18.998 > 1 4 F 0.92312955606035 0.84625911212071 0.26059630524309 18.998 > 1 5 F 0.42312955606035 0.34625911212070 0.59392963857643 18.998 > 1 6 F 0.92312955606035 0.34625911212070 0.59392963857643 18.998 > 1 7 F 0.42312955606035 0.84625911212071 0.59392963857643 18.998 > 1 8 F 0.92312955606035 0.84625911212071 0.59392963857643 18.998 > 1 9 F 0.42312955606035 0.34625911212070 0.92726297190976 18.998 > 1 10 F 0.92312955606035 0.34625911212070 0.92726297190976 18.998 > 1 11 F 0.42312955606035 0.84625911212071 0.92726297190976 18.998 > 1 12 F 0.92312955606035 0.84625911212071 0.92726297190976 18.998 > 1 13 F 0.15374088787930 0.07687044393965 0.26059630524309 18.998 > 2 14 F 0.65374088787930 0.07687044393965 0.26059630524309 18.998 > 2 15 F 0.15374088787930 0.57687044393965 0.26059630524309 18.998 > 2 16 F 0.65374088787930 0.57687044393965 0.26059630524309 18.998 > 2 17 F 0.15374088787930 0.07687044393965 0.59392963857643 18.998 > 2 18 F 0.65374088787930 0.07687044393965 0.59392963857643 18.998 > 2 19 F 0.15374088787930 0.57687044393965 0.59392963857643 18.998 > 2 20 F 0.65374088787930 0.57687044393965 0.59392963857643 18.998 > 2 21 F 0.15374088787930 0.07687044393965 0.92726297190976 18.998 > 2 22 F 0.65374088787930 0.07687044393965 0.92726297190976 18.998 > 2 23 F 0.15374088787930 0.57687044393965 0.92726297190976 18.998 > 2 24 F 0.65374088787930 0.57687044393965 0.92726297190976 18.998 > 2 25 F 0.42312955606035 0.07687044393965 0.26059630524309 18.998 > 3 26 F 0.92312955606035 0.07687044393965 0.26059630524309 18.998 > 3 27 F 0.42312955606035 0.57687044393965 0.26059630524309 18.998 > 3 28 F 0.92312955606035 0.57687044393965 0.26059630524309 18.998 > 3 29 F 0.42312955606035 0.07687044393965 0.59392963857643 18.998 > 3 30 F 0.92312955606035 0.07687044393965 0.59392963857643 18.998 > 3 31 F 0.42312955606035 0.57687044393965 0.59392963857643 18.998 > 3 32 F 0.92312955606035 0.57687044393965 0.59392963857643 18.998 > 3 33 F 0.42312955606035 0.07687044393965 0.92726297190976 18.998 > 3 34 F 0.92312955606035 0.07687044393965 0.92726297190976 18.998 > 3 35 F 0.42312955606035 0.57687044393965 0.92726297190976 18.998 > 3 36 F 0.92312955606035 0.57687044393965 0.92726297190976 18.998 > 3 37 F 0.07687044393965 0.15374088787930 0.07273702809024 18.998 > 4 38 F 0.57687044393965 0.15374088787930 0.07273702809024 18.998 > 4 39 F 0.07687044393965 0.65374088787930 0.07273702809024 18.998 > 4 40 F 0.57687044393965 0.65374088787930 0.07273702809024 18.998 > 4 41 F 0.07687044393965 0.15374088787930 0.40607036142357 18.998 > 4 42 F 0.57687044393965 0.15374088787930 0.40607036142357 18.998 > 4 43 F 0.07687044393965 0.65374088787930 0.40607036142357 18.998 > 4 44 F 0.57687044393965 0.65374088787930 0.40607036142357 18.998 > 4 45 F 0.07687044393965 0.15374088787930 0.73940369475691 18.998 > 4 46 F 0.57687044393965 0.15374088787930 0.73940369475691 18.998 > 4 47 F 0.07687044393965 0.65374088787930 0.73940369475691 18.998 > 4 48 F 0.57687044393965 0.65374088787930 0.73940369475691 18.998 > 4 49 F 0.34625911212070 0.42312955606035 0.07273702809024 18.998 > 5 50 F 0.84625911212071 0.42312955606035 0.07273702809024 18.998 > 5 51 F 0.34625911212070 0.92312955606035 0.07273702809024 18.998 > 5 52 F 0.84625911212071 0.92312955606035 0.07273702809024 18.998 > 5 53 F 0.34625911212070 0.42312955606035 0.40607036142357 18.998 > 5 54 F 0.84625911212071 0.42312955606035 0.40607036142357 18.998 > 5 55 F 0.34625911212070 0.92312955606035 0.40607036142357 18.998 > 5 56 F 0.84625911212071 0.92312955606035 0.40607036142357 18.998 > 5 57 F 0.34625911212070 0.42312955606035 0.73940369475691 18.998 > 5 58 F 0.84625911212071 0.42312955606035 0.73940369475691 18.998 > 5 59 F 0.34625911212070 0.92312955606035 0.73940369475691 18.998 > 5 60 F 0.84625911212071 0.92312955606035 0.73940369475691 18.998 > 5 61 F 0.07687044393965 0.42312955606035 0.07273702809024 18.998 > 6 62 F 0.57687044393965 0.42312955606035 0.07273702809024 18.998 > 6 63 F 0.07687044393965 0.92312955606035 0.07273702809024 18.998 > 6 64 F 0.57687044393965 0.92312955606035 0.07273702809024 18.998 > 6 65 F 0.07687044393965 0.42312955606035 0.40607036142357 18.998 > 6 66 F 0.57687044393965 0.42312955606035 0.40607036142357 18.998 > 6 67 F 0.07687044393965 0.92312955606035 0.40607036142357 18.998 > 6 68 F 0.57687044393965 0.92312955606035 0.40607036142357 18.998 > 6 69 F 0.07687044393965 0.42312955606035 0.73940369475691 18.998 > 6 70 F 0.57687044393965 0.42312955606035 0.73940369475691 18.998 > 6 71 F 0.07687044393965 0.92312955606035 0.73940369475691 18.998 > 6 72 F 0.57687044393965 0.92312955606035 0.73940369475691 18.998 > 6 *73 K 0.16666666666667 0.33333333333333 0.23464163730219 39.098 > 7 74 K 0.66666666666667 0.33333333333333 0.23464163730219 39.098 > 7 75 K 0.16666666666667 0.83333333333333 0.23464163730219 39.098 > 7 76 K 0.66666666666667 0.83333333333333 0.23464163730219 39.098 > 7 77 K 0.16666666666667 0.33333333333333 0.56797497063552 39.098 > 7 78 K 0.66666666666667 0.33333333333333 0.56797497063552 39.098 > 7 79 K 0.16666666666667 0.83333333333333 0.56797497063552 39.098 > 7 80 K 0.66666666666667 0.83333333333333 0.56797497063552 39.098 > 7 81 K 0.16666666666667 0.33333333333333 0.90130830396885 39.098 > 7 82 K 0.66666666666667 0.33333333333333 0.90130830396885 39.098 > 7 83 K 0.16666666666667 0.83333333333333 0.90130830396885 39.098 > 7 84 K 0.66666666666667 0.83333333333333 0.90130830396885 39.098 > 7 85 K 0.33333333333333 0.16666666666667 0.09869169603114 39.098 > 8 86 K 0.83333333333333 0.16666666666667 0.09869169603114 39.098 > 8 87 K 0.33333333333333 0.66666666666667 0.09869169603114 39.098 > 8 88 K 0.83333333333333 0.66666666666667 0.09869169603114 39.098 > 8 89 K 0.33333333333333 0.16666666666667 0.43202502936448 39.098 > 8 90 K 0.83333333333333 0.16666666666667 0.43202502936448 39.098 > 8 91 K 0.33333333333333 0.66666666666667 0.43202502936448 39.098 > 8 92 K 0.83333333333333 0.66666666666667 0.43202502936448 39.098 > 8 93 K 0.33333333333333 0.16666666666667 0.76535836269781 39.098 > 8 94 K 0.83333333333333 0.16666666666667 0.76535836269781 39.098 > 8 95 K 0.33333333333333 0.66666666666667 0.76535836269781 39.098 > 8 96 K 0.83333333333333 0.66666666666667 0.76535836269781 39.098 > 8 *97 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 9 98 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 9 99 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 9 100 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 9 101 Ge 0.00000000000000 0.00000000000000 0.33333333333333 72.640 > 9 102 Ge 0.50000000000000 0.00000000000000 0.33333333333333 72.640 > 9 103 Ge 0.00000000000000 0.50000000000000 0.33333333333333 72.640 > 9 104 Ge 0.50000000000000 0.50000000000000 0.33333333333333 72.640 > 9 105 Ge 0.00000000000000 0.00000000000000 0.66666666666667 72.640 > 9 106 Ge 0.50000000000000 0.00000000000000 0.66666666666667 72.640 > 9 107 Ge 0.00000000000000 0.50000000000000 0.66666666666667 72.640 > 9 108 Ge 0.50000000000000 0.50000000000000 0.66666666666667 72.640 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0989258 0.0000000 0.0000000 0.0000000 2.0989258 0.0000000 0.0000000 0.0000000 2.0571983 -------------------------- Born effective charges -------------------------- 1 F -0.8137139 -0.0000000 0.0000000 0.0000000 -1.1347049 -0.2789245 -0.0000000 -0.2868079 -0.9406210 2 F -1.0544572 -0.1389932 0.2415557 -0.1389932 -0.8939616 0.1394622 0.2483829 0.1434040 -0.9406210 3 F -1.0544572 0.1389932 -0.2415557 0.1389932 -0.8939616 0.1394622 -0.2483829 0.1434040 -0.9406210 4 F -0.8137139 -0.0000000 0.0000000 0.0000000 -1.1347049 -0.2789245 -0.0000000 -0.2868079 -0.9406210 5 F -1.0544572 -0.1389932 0.2415557 -0.1389932 -0.8939616 0.1394622 0.2483829 0.1434040 -0.9406210 6 F -1.0544572 0.1389932 -0.2415557 0.1389932 -0.8939616 0.1394622 -0.2483829 0.1434040 -0.9406210 7 K 1.2434424 -0.0000000 0.0000000 0.0000000 1.2434424 0.0000000 -0.0000000 0.0000000 1.1864693 8 K 1.2434424 -0.0000000 0.0000000 0.0000000 1.2434424 0.0000000 -0.0000000 0.0000000 1.1864693 9 Ge 3.3583717 -0.0000000 0.0000000 0.0000000 3.3583717 0.0000000 -0.0000000 0.0000000 3.2707875 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 267 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 160 - Time: 0.311 Solver_block: 160 / 160 - Time: 0.232 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.553 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 267 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:34:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:34:12]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.661633758664758 0.000000000000000 0.000000000000000 b -2.830816879332379 4.903118661927255 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673770370000000 Atomic positions (fractional): 1 F 0.84625911212071 0.69251822424141 0.78178891572928 18.998 2 F 0.30748177575859 0.15374088787929 0.78178891572928 18.998 3 F 0.84625911212071 0.15374088787929 0.78178891572928 18.998 4 F 0.15374088787929 0.30748177575859 0.21821108427072 18.998 5 F 0.69251822424141 0.84625911212071 0.21821108427072 18.998 6 F 0.15374088787929 0.84625911212071 0.21821108427072 18.998 7 K 0.33333333333333 0.66666666666667 0.70392491190657 39.098 8 K 0.66666666666667 0.33333333333333 0.29607508809343 39.098 9 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.323267517329516 0.000000000000000 0.000000000000000 b -5.661633758664758 9.806237323854511 0.000000000000000 c 0.000000000000000 0.000000000000000 14.021311109999999 Atomic positions (fractional): 1 F 0.42312955606035 0.34625911212070 0.26059630524309 18.998 > 1 2 F 0.92312955606035 0.34625911212070 0.26059630524309 18.998 > 1 3 F 0.42312955606035 0.84625911212071 0.26059630524309 18.998 > 1 4 F 0.92312955606035 0.84625911212071 0.26059630524309 18.998 > 1 5 F 0.42312955606035 0.34625911212070 0.59392963857643 18.998 > 1 6 F 0.92312955606035 0.34625911212070 0.59392963857643 18.998 > 1 7 F 0.42312955606035 0.84625911212071 0.59392963857643 18.998 > 1 8 F 0.92312955606035 0.84625911212071 0.59392963857643 18.998 > 1 9 F 0.42312955606035 0.34625911212070 0.92726297190976 18.998 > 1 10 F 0.92312955606035 0.34625911212070 0.92726297190976 18.998 > 1 11 F 0.42312955606035 0.84625911212071 0.92726297190976 18.998 > 1 12 F 0.92312955606035 0.84625911212071 0.92726297190976 18.998 > 1 13 F 0.15374088787930 0.07687044393965 0.26059630524309 18.998 > 13 14 F 0.65374088787930 0.07687044393965 0.26059630524309 18.998 > 13 15 F 0.15374088787930 0.57687044393965 0.26059630524309 18.998 > 13 16 F 0.65374088787930 0.57687044393965 0.26059630524309 18.998 > 13 17 F 0.15374088787930 0.07687044393965 0.59392963857643 18.998 > 13 18 F 0.65374088787930 0.07687044393965 0.59392963857643 18.998 > 13 19 F 0.15374088787930 0.57687044393965 0.59392963857643 18.998 > 13 20 F 0.65374088787930 0.57687044393965 0.59392963857643 18.998 > 13 21 F 0.15374088787930 0.07687044393965 0.92726297190976 18.998 > 13 22 F 0.65374088787930 0.07687044393965 0.92726297190976 18.998 > 13 23 F 0.15374088787930 0.57687044393965 0.92726297190976 18.998 > 13 24 F 0.65374088787930 0.57687044393965 0.92726297190976 18.998 > 13 25 F 0.42312955606035 0.07687044393965 0.26059630524309 18.998 > 25 26 F 0.92312955606035 0.07687044393965 0.26059630524309 18.998 > 25 27 F 0.42312955606035 0.57687044393965 0.26059630524309 18.998 > 25 28 F 0.92312955606035 0.57687044393965 0.26059630524309 18.998 > 25 29 F 0.42312955606035 0.07687044393965 0.59392963857643 18.998 > 25 30 F 0.92312955606035 0.07687044393965 0.59392963857643 18.998 > 25 31 F 0.42312955606035 0.57687044393965 0.59392963857643 18.998 > 25 32 F 0.92312955606035 0.57687044393965 0.59392963857643 18.998 > 25 33 F 0.42312955606035 0.07687044393965 0.92726297190976 18.998 > 25 34 F 0.92312955606035 0.07687044393965 0.92726297190976 18.998 > 25 35 F 0.42312955606035 0.57687044393965 0.92726297190976 18.998 > 25 36 F 0.92312955606035 0.57687044393965 0.92726297190976 18.998 > 25 37 F 0.07687044393965 0.15374088787930 0.07273702809024 18.998 > 37 38 F 0.57687044393965 0.15374088787930 0.07273702809024 18.998 > 37 39 F 0.07687044393965 0.65374088787930 0.07273702809024 18.998 > 37 40 F 0.57687044393965 0.65374088787930 0.07273702809024 18.998 > 37 41 F 0.07687044393965 0.15374088787930 0.40607036142357 18.998 > 37 42 F 0.57687044393965 0.15374088787930 0.40607036142357 18.998 > 37 43 F 0.07687044393965 0.65374088787930 0.40607036142357 18.998 > 37 44 F 0.57687044393965 0.65374088787930 0.40607036142357 18.998 > 37 45 F 0.07687044393965 0.15374088787930 0.73940369475691 18.998 > 37 46 F 0.57687044393965 0.15374088787930 0.73940369475691 18.998 > 37 47 F 0.07687044393965 0.65374088787930 0.73940369475691 18.998 > 37 48 F 0.57687044393965 0.65374088787930 0.73940369475691 18.998 > 37 49 F 0.34625911212070 0.42312955606035 0.07273702809024 18.998 > 49 50 F 0.84625911212071 0.42312955606035 0.07273702809024 18.998 > 49 51 F 0.34625911212070 0.92312955606035 0.07273702809024 18.998 > 49 52 F 0.84625911212071 0.92312955606035 0.07273702809024 18.998 > 49 53 F 0.34625911212070 0.42312955606035 0.40607036142357 18.998 > 49 54 F 0.84625911212071 0.42312955606035 0.40607036142357 18.998 > 49 55 F 0.34625911212070 0.92312955606035 0.40607036142357 18.998 > 49 56 F 0.84625911212071 0.92312955606035 0.40607036142357 18.998 > 49 57 F 0.34625911212070 0.42312955606035 0.73940369475691 18.998 > 49 58 F 0.84625911212071 0.42312955606035 0.73940369475691 18.998 > 49 59 F 0.34625911212070 0.92312955606035 0.73940369475691 18.998 > 49 60 F 0.84625911212071 0.92312955606035 0.73940369475691 18.998 > 49 61 F 0.07687044393965 0.42312955606035 0.07273702809024 18.998 > 61 62 F 0.57687044393965 0.42312955606035 0.07273702809024 18.998 > 61 63 F 0.07687044393965 0.92312955606035 0.07273702809024 18.998 > 61 64 F 0.57687044393965 0.92312955606035 0.07273702809024 18.998 > 61 65 F 0.07687044393965 0.42312955606035 0.40607036142357 18.998 > 61 66 F 0.57687044393965 0.42312955606035 0.40607036142357 18.998 > 61 67 F 0.07687044393965 0.92312955606035 0.40607036142357 18.998 > 61 68 F 0.57687044393965 0.92312955606035 0.40607036142357 18.998 > 61 69 F 0.07687044393965 0.42312955606035 0.73940369475691 18.998 > 61 70 F 0.57687044393965 0.42312955606035 0.73940369475691 18.998 > 61 71 F 0.07687044393965 0.92312955606035 0.73940369475691 18.998 > 61 72 F 0.57687044393965 0.92312955606035 0.73940369475691 18.998 > 61 73 K 0.16666666666667 0.33333333333333 0.23464163730219 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.23464163730219 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.23464163730219 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.23464163730219 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.56797497063552 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.56797497063552 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.56797497063552 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.56797497063552 39.098 > 73 81 K 0.16666666666667 0.33333333333333 0.90130830396885 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.90130830396885 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.90130830396885 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.90130830396885 39.098 > 73 85 K 0.33333333333333 0.16666666666667 0.09869169603114 39.098 > 85 86 K 0.83333333333333 0.16666666666667 0.09869169603114 39.098 > 85 87 K 0.33333333333333 0.66666666666667 0.09869169603114 39.098 > 85 88 K 0.83333333333333 0.66666666666667 0.09869169603114 39.098 > 85 89 K 0.33333333333333 0.16666666666667 0.43202502936448 39.098 > 85 90 K 0.83333333333333 0.16666666666667 0.43202502936448 39.098 > 85 91 K 0.33333333333333 0.66666666666667 0.43202502936448 39.098 > 85 92 K 0.83333333333333 0.66666666666667 0.43202502936448 39.098 > 85 93 K 0.33333333333333 0.16666666666667 0.76535836269781 39.098 > 85 94 K 0.83333333333333 0.16666666666667 0.76535836269781 39.098 > 85 95 K 0.33333333333333 0.66666666666667 0.76535836269781 39.098 > 85 96 K 0.83333333333333 0.66666666666667 0.76535836269781 39.098 > 85 97 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 97 98 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 97 99 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 97 100 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 97 101 Ge 0.00000000000000 0.00000000000000 0.33333333333333 72.640 > 97 102 Ge 0.50000000000000 0.00000000000000 0.33333333333333 72.640 > 97 103 Ge 0.00000000000000 0.50000000000000 0.33333333333333 72.640 > 97 104 Ge 0.50000000000000 0.50000000000000 0.33333333333333 72.640 > 97 105 Ge 0.00000000000000 0.00000000000000 0.66666666666667 72.640 > 97 106 Ge 0.50000000000000 0.00000000000000 0.66666666666667 72.640 > 97 107 Ge 0.00000000000000 0.50000000000000 0.66666666666667 72.640 > 97 108 Ge 0.50000000000000 0.50000000000000 0.66666666666667 72.640 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0989258 0.0000000 0.0000000 0.0000000 2.0989258 0.0000000 0.0000000 0.0000000 2.0571983 -------------------------- Born effective charges -------------------------- 1 F -0.8137139 -0.0000000 0.0000000 0.0000000 -1.1347049 -0.2789245 -0.0000000 -0.2868079 -0.9406210 2 F -1.0544572 -0.1389932 0.2415557 -0.1389932 -0.8939616 0.1394622 0.2483829 0.1434040 -0.9406210 3 F -1.0544572 0.1389932 -0.2415557 0.1389932 -0.8939616 0.1394622 -0.2483829 0.1434040 -0.9406210 4 F -0.8137139 -0.0000000 0.0000000 0.0000000 -1.1347049 -0.2789245 -0.0000000 -0.2868079 -0.9406210 5 F -1.0544572 -0.1389932 0.2415557 -0.1389932 -0.8939616 0.1394622 0.2483829 0.1434040 -0.9406210 6 F -1.0544572 0.1389932 -0.2415557 0.1389932 -0.8939616 0.1394622 -0.2483829 0.1434040 -0.9406210 7 K 1.2434424 -0.0000000 0.0000000 0.0000000 1.2434424 0.0000000 -0.0000000 0.0000000 1.1864693 8 K 1.2434424 -0.0000000 0.0000000 0.0000000 1.2434424 0.0000000 -0.0000000 0.0000000 1.1864693 9 Ge 3.3583717 -0.0000000 0.0000000 0.0000000 3.3583717 0.0000000 -0.0000000 0.0000000 3.2707875 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:34:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:34:18]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.661633758664758 0.000000000000000 0.000000000000000 b -2.830816879332379 4.903118661927255 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673770370000000 Atomic positions (fractional): 1 F 0.84625911212071 0.69251822424141 0.78178891572928 18.998 2 F 0.30748177575859 0.15374088787929 0.78178891572928 18.998 3 F 0.84625911212071 0.15374088787929 0.78178891572928 18.998 4 F 0.15374088787929 0.30748177575859 0.21821108427072 18.998 5 F 0.69251822424141 0.84625911212071 0.21821108427072 18.998 6 F 0.15374088787929 0.84625911212071 0.21821108427072 18.998 7 K 0.33333333333333 0.66666666666667 0.70392491190657 39.098 8 K 0.66666666666667 0.33333333333333 0.29607508809343 39.098 9 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.323267517329516 0.000000000000000 0.000000000000000 b -5.661633758664758 9.806237323854511 0.000000000000000 c 0.000000000000000 0.000000000000000 14.021311109999999 Atomic positions (fractional): 1 F 0.42312955606035 0.34625911212070 0.26059630524309 18.998 > 1 2 F 0.92312955606035 0.34625911212070 0.26059630524309 18.998 > 1 3 F 0.42312955606035 0.84625911212071 0.26059630524309 18.998 > 1 4 F 0.92312955606035 0.84625911212071 0.26059630524309 18.998 > 1 5 F 0.42312955606035 0.34625911212070 0.59392963857643 18.998 > 1 6 F 0.92312955606035 0.34625911212070 0.59392963857643 18.998 > 1 7 F 0.42312955606035 0.84625911212071 0.59392963857643 18.998 > 1 8 F 0.92312955606035 0.84625911212071 0.59392963857643 18.998 > 1 9 F 0.42312955606035 0.34625911212070 0.92726297190976 18.998 > 1 10 F 0.92312955606035 0.34625911212070 0.92726297190976 18.998 > 1 11 F 0.42312955606035 0.84625911212071 0.92726297190976 18.998 > 1 12 F 0.92312955606035 0.84625911212071 0.92726297190976 18.998 > 1 13 F 0.15374088787930 0.07687044393965 0.26059630524309 18.998 > 13 14 F 0.65374088787930 0.07687044393965 0.26059630524309 18.998 > 13 15 F 0.15374088787930 0.57687044393965 0.26059630524309 18.998 > 13 16 F 0.65374088787930 0.57687044393965 0.26059630524309 18.998 > 13 17 F 0.15374088787930 0.07687044393965 0.59392963857643 18.998 > 13 18 F 0.65374088787930 0.07687044393965 0.59392963857643 18.998 > 13 19 F 0.15374088787930 0.57687044393965 0.59392963857643 18.998 > 13 20 F 0.65374088787930 0.57687044393965 0.59392963857643 18.998 > 13 21 F 0.15374088787930 0.07687044393965 0.92726297190976 18.998 > 13 22 F 0.65374088787930 0.07687044393965 0.92726297190976 18.998 > 13 23 F 0.15374088787930 0.57687044393965 0.92726297190976 18.998 > 13 24 F 0.65374088787930 0.57687044393965 0.92726297190976 18.998 > 13 25 F 0.42312955606035 0.07687044393965 0.26059630524309 18.998 > 25 26 F 0.92312955606035 0.07687044393965 0.26059630524309 18.998 > 25 27 F 0.42312955606035 0.57687044393965 0.26059630524309 18.998 > 25 28 F 0.92312955606035 0.57687044393965 0.26059630524309 18.998 > 25 29 F 0.42312955606035 0.07687044393965 0.59392963857643 18.998 > 25 30 F 0.92312955606035 0.07687044393965 0.59392963857643 18.998 > 25 31 F 0.42312955606035 0.57687044393965 0.59392963857643 18.998 > 25 32 F 0.92312955606035 0.57687044393965 0.59392963857643 18.998 > 25 33 F 0.42312955606035 0.07687044393965 0.92726297190976 18.998 > 25 34 F 0.92312955606035 0.07687044393965 0.92726297190976 18.998 > 25 35 F 0.42312955606035 0.57687044393965 0.92726297190976 18.998 > 25 36 F 0.92312955606035 0.57687044393965 0.92726297190976 18.998 > 25 37 F 0.07687044393965 0.15374088787930 0.07273702809024 18.998 > 37 38 F 0.57687044393965 0.15374088787930 0.07273702809024 18.998 > 37 39 F 0.07687044393965 0.65374088787930 0.07273702809024 18.998 > 37 40 F 0.57687044393965 0.65374088787930 0.07273702809024 18.998 > 37 41 F 0.07687044393965 0.15374088787930 0.40607036142357 18.998 > 37 42 F 0.57687044393965 0.15374088787930 0.40607036142357 18.998 > 37 43 F 0.07687044393965 0.65374088787930 0.40607036142357 18.998 > 37 44 F 0.57687044393965 0.65374088787930 0.40607036142357 18.998 > 37 45 F 0.07687044393965 0.15374088787930 0.73940369475691 18.998 > 37 46 F 0.57687044393965 0.15374088787930 0.73940369475691 18.998 > 37 47 F 0.07687044393965 0.65374088787930 0.73940369475691 18.998 > 37 48 F 0.57687044393965 0.65374088787930 0.73940369475691 18.998 > 37 49 F 0.34625911212070 0.42312955606035 0.07273702809024 18.998 > 49 50 F 0.84625911212071 0.42312955606035 0.07273702809024 18.998 > 49 51 F 0.34625911212070 0.92312955606035 0.07273702809024 18.998 > 49 52 F 0.84625911212071 0.92312955606035 0.07273702809024 18.998 > 49 53 F 0.34625911212070 0.42312955606035 0.40607036142357 18.998 > 49 54 F 0.84625911212071 0.42312955606035 0.40607036142357 18.998 > 49 55 F 0.34625911212070 0.92312955606035 0.40607036142357 18.998 > 49 56 F 0.84625911212071 0.92312955606035 0.40607036142357 18.998 > 49 57 F 0.34625911212070 0.42312955606035 0.73940369475691 18.998 > 49 58 F 0.84625911212071 0.42312955606035 0.73940369475691 18.998 > 49 59 F 0.34625911212070 0.92312955606035 0.73940369475691 18.998 > 49 60 F 0.84625911212071 0.92312955606035 0.73940369475691 18.998 > 49 61 F 0.07687044393965 0.42312955606035 0.07273702809024 18.998 > 61 62 F 0.57687044393965 0.42312955606035 0.07273702809024 18.998 > 61 63 F 0.07687044393965 0.92312955606035 0.07273702809024 18.998 > 61 64 F 0.57687044393965 0.92312955606035 0.07273702809024 18.998 > 61 65 F 0.07687044393965 0.42312955606035 0.40607036142357 18.998 > 61 66 F 0.57687044393965 0.42312955606035 0.40607036142357 18.998 > 61 67 F 0.07687044393965 0.92312955606035 0.40607036142357 18.998 > 61 68 F 0.57687044393965 0.92312955606035 0.40607036142357 18.998 > 61 69 F 0.07687044393965 0.42312955606035 0.73940369475691 18.998 > 61 70 F 0.57687044393965 0.42312955606035 0.73940369475691 18.998 > 61 71 F 0.07687044393965 0.92312955606035 0.73940369475691 18.998 > 61 72 F 0.57687044393965 0.92312955606035 0.73940369475691 18.998 > 61 73 K 0.16666666666667 0.33333333333333 0.23464163730219 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.23464163730219 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.23464163730219 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.23464163730219 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.56797497063552 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.56797497063552 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.56797497063552 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.56797497063552 39.098 > 73 81 K 0.16666666666667 0.33333333333333 0.90130830396885 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.90130830396885 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.90130830396885 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.90130830396885 39.098 > 73 85 K 0.33333333333333 0.16666666666667 0.09869169603114 39.098 > 85 86 K 0.83333333333333 0.16666666666667 0.09869169603114 39.098 > 85 87 K 0.33333333333333 0.66666666666667 0.09869169603114 39.098 > 85 88 K 0.83333333333333 0.66666666666667 0.09869169603114 39.098 > 85 89 K 0.33333333333333 0.16666666666667 0.43202502936448 39.098 > 85 90 K 0.83333333333333 0.16666666666667 0.43202502936448 39.098 > 85 91 K 0.33333333333333 0.66666666666667 0.43202502936448 39.098 > 85 92 K 0.83333333333333 0.66666666666667 0.43202502936448 39.098 > 85 93 K 0.33333333333333 0.16666666666667 0.76535836269781 39.098 > 85 94 K 0.83333333333333 0.16666666666667 0.76535836269781 39.098 > 85 95 K 0.33333333333333 0.66666666666667 0.76535836269781 39.098 > 85 96 K 0.83333333333333 0.66666666666667 0.76535836269781 39.098 > 85 97 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 97 98 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 97 99 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 97 100 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 97 101 Ge 0.00000000000000 0.00000000000000 0.33333333333333 72.640 > 97 102 Ge 0.50000000000000 0.00000000000000 0.33333333333333 72.640 > 97 103 Ge 0.00000000000000 0.50000000000000 0.33333333333333 72.640 > 97 104 Ge 0.50000000000000 0.50000000000000 0.33333333333333 72.640 > 97 105 Ge 0.00000000000000 0.00000000000000 0.66666666666667 72.640 > 97 106 Ge 0.50000000000000 0.00000000000000 0.66666666666667 72.640 > 97 107 Ge 0.00000000000000 0.50000000000000 0.66666666666667 72.640 > 97 108 Ge 0.50000000000000 0.50000000000000 0.66666666666667 72.640 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0989258 0.0000000 0.0000000 0.0000000 2.0989258 0.0000000 0.0000000 0.0000000 2.0571983 -------------------------- Born effective charges -------------------------- 1 F -0.8137139 -0.0000000 0.0000000 0.0000000 -1.1347049 -0.2789245 -0.0000000 -0.2868079 -0.9406210 2 F -1.0544572 -0.1389932 0.2415557 -0.1389932 -0.8939616 0.1394622 0.2483829 0.1434040 -0.9406210 3 F -1.0544572 0.1389932 -0.2415557 0.1389932 -0.8939616 0.1394622 -0.2483829 0.1434040 -0.9406210 4 F -0.8137139 -0.0000000 0.0000000 0.0000000 -1.1347049 -0.2789245 -0.0000000 -0.2868079 -0.9406210 5 F -1.0544572 -0.1389932 0.2415557 -0.1389932 -0.8939616 0.1394622 0.2483829 0.1434040 -0.9406210 6 F -1.0544572 0.1389932 -0.2415557 0.1389932 -0.8939616 0.1394622 -0.2483829 0.1434040 -0.9406210 7 K 1.2434424 -0.0000000 0.0000000 0.0000000 1.2434424 0.0000000 -0.0000000 0.0000000 1.1864693 8 K 1.2434424 -0.0000000 0.0000000 0.0000000 1.2434424 0.0000000 -0.0000000 0.0000000 1.1864693 9 Ge 3.3583717 -0.0000000 0.0000000 0.0000000 3.3583717 0.0000000 -0.0000000 0.0000000 3.2707875 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.82, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/124) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 124 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 2.346 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 9.246 ( 0.000 0.000 0.000) 0.000 9.246 ( 0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 16.906 ( 0.000 0.000 0.000) 0.000 16.906 ( 0.000 0.000 0.000) 0.000 17.431 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/124) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 12.484 7.207 -4.418) 15.077 0.487 ( 20.404 11.780 -3.470) 23.815 0.891 ( 37.007 21.366 3.078) 42.843 2.365 ( 0.639 0.369 0.044) 0.740 2.402 ( 3.731 2.154 -0.297) 4.318 2.430 ( 3.744 2.161 -0.927) 4.421 2.483 ( 0.628 0.362 2.414) 2.521 2.824 ( -1.435 -0.829 -0.105) 1.661 3.677 ( -5.615 -3.242 3.088) 7.182 3.882 ( -3.759 -2.170 -2.200) 4.866 4.009 ( 4.668 2.695 -2.492) 5.938 5.352 ( -2.533 -1.462 1.252) 3.182 6.271 ( -1.028 -0.593 0.210) 1.205 6.304 ( 0.542 0.313 -0.397) 0.741 6.707 ( 2.300 1.328 0.006) 2.656 8.855 ( -0.891 -0.515 -0.771) 1.286 9.220 ( -2.077 -1.199 -0.119) 2.402 9.266 ( 1.618 0.934 1.516) 2.406 9.360 ( -0.773 -0.446 -0.085) 0.896 9.843 ( 1.335 0.771 0.144) 1.549 10.799 ( -0.300 -0.173 -0.738) 0.815 13.299 ( -0.375 -0.216 -0.639) 0.772 13.368 ( 5.419 3.129 -1.215) 6.374 16.588 ( -2.929 -1.691 -1.289) 3.619 16.912 ( 0.538 0.310 0.379) 0.727 17.425 ( -0.493 -0.285 0.008) 0.569 18.452 ( -0.666 -0.384 2.160) 2.293 ======================= Grid point 2 (3/124) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 10.923 6.306 -3.550) 13.103 0.954 ( 19.105 11.030 -3.689) 22.367 1.720 ( 32.673 18.864 1.618) 37.762 2.382 ( 0.820 0.474 -0.028) 0.948 2.412 ( -2.286 -1.320 1.209) 2.904 2.509 ( 4.575 2.642 0.042) 5.283 2.627 ( 7.473 4.314 2.474) 8.976 2.785 ( -0.840 -0.485 -0.947) 1.355 3.552 ( -4.588 -2.649 3.232) 6.206 3.764 ( -5.845 -3.374 -3.079) 7.418 4.108 ( 3.566 2.059 -2.331) 4.731 5.260 ( -5.306 -3.064 1.680) 6.353 6.237 ( -1.785 -1.031 0.340) 2.089 6.323 ( 1.029 0.594 -0.649) 1.354 6.782 ( 3.881 2.241 0.029) 4.481 8.827 ( -1.414 -0.816 -1.174) 2.011 9.156 ( -3.186 -1.839 -0.180) 3.683 9.313 ( 1.619 0.935 3.886) 4.313 9.339 ( -0.259 -0.149 -1.529) 1.558 9.883 ( 1.948 1.125 0.216) 2.260 10.788 ( -0.572 -0.330 -1.314) 1.471 13.286 ( -0.634 -0.366 -1.037) 1.269 13.547 ( 9.357 5.402 -1.979) 10.985 16.489 ( -5.376 -3.104 -2.039) 6.534 16.929 ( 0.862 0.498 0.612) 1.168 17.410 ( -0.781 -0.451 0.042) 0.902 18.431 ( -1.088 -0.628 3.466) 3.687 ======================= Grid point 3 (4/124) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 8.075 4.662 -2.258) 9.594 1.377 ( 16.597 9.582 -3.783) 19.534 2.291 ( 5.419 3.129 -3.355) 7.100 2.402 ( 0.858 0.496 -0.022) 0.991 2.440 ( 10.877 6.280 3.273) 12.979 2.579 ( 0.745 0.430 1.115) 1.409 2.704 ( 4.455 2.572 1.975) 5.510 2.903 ( 8.988 5.189 1.228) 10.450 3.480 ( -1.260 -0.728 2.391) 2.800 3.625 ( -5.589 -3.227 -2.420) 6.892 4.172 ( 1.867 1.078 -1.824) 2.824 5.105 ( -7.649 -4.416 1.161) 8.909 6.191 ( -1.933 -1.116 0.348) 2.259 6.350 ( 1.199 0.692 -0.653) 1.531 6.879 ( 4.089 2.361 0.049) 4.721 8.793 ( -1.411 -0.815 -1.116) 1.975 9.080 ( -3.110 -1.796 -0.176) 3.595 9.297 ( -1.366 -0.789 1.276) 2.029 9.389 ( 2.759 1.593 1.185) 3.399 9.928 ( 1.801 1.040 0.206) 2.090 10.773 ( -0.701 -0.405 -1.476) 1.684 13.271 ( -0.669 -0.386 -1.041) 1.296 13.786 ( 10.401 6.005 -2.015) 12.178 16.346 ( -6.474 -3.738 -1.960) 7.728 16.950 ( 0.852 0.492 0.610) 1.157 17.391 ( -0.756 -0.436 0.072) 0.876 18.404 ( -1.104 -0.637 3.429) 3.658 ======================= Grid point 4 (5/124) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 4.128 2.383 -0.946) 4.860 1.718 ( 11.644 6.723 -3.114) 13.801 2.301 ( 0.297 0.171 -0.990) 1.047 2.419 ( 0.553 0.319 0.007) 0.638 2.478 ( -3.612 -2.085 -0.156) 4.173 2.541 ( -3.395 -1.960 1.912) 4.362 2.996 ( 10.230 5.907 -2.010) 11.983 3.138 ( 11.221 6.479 4.707) 13.786 3.485 ( 1.096 0.633 1.074) 1.659 3.517 ( -3.194 -1.844 -1.138) 3.859 4.199 ( 0.553 0.319 -1.039) 1.219 4.921 ( -7.162 -4.135 0.307) 8.276 6.152 ( -1.273 -0.735 0.222) 1.487 6.375 ( 0.818 0.472 -0.405) 1.028 6.962 ( 2.645 1.527 0.040) 3.054 8.765 ( -0.880 -0.508 -0.670) 1.217 9.018 ( -1.935 -1.117 -0.111) 2.237 9.269 ( -0.912 -0.527 0.599) 1.212 9.445 ( 1.805 1.042 0.995) 2.310 9.963 ( 1.072 0.619 0.126) 1.245 10.758 ( -0.512 -0.295 -1.003) 1.164 13.257 ( -0.432 -0.250 -0.646) 0.816 14.003 ( 7.244 4.182 -1.279) 8.462 16.206 ( -4.842 -2.795 -1.154) 5.708 16.967 ( 0.521 0.301 0.376) 0.710 17.376 ( -0.453 -0.262 0.057) 0.526 18.383 ( -0.693 -0.400 2.100) 2.247 ======================= Grid point 5 (6/124) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.000 0.000 -0.000) 0.000 1.871 ( 0.000 0.000 -0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 -0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 -0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 -0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 -0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 -0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 -0.000) 0.000 8.754 ( 0.000 0.000 -0.000) 0.000 8.994 ( 0.000 0.000 -0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 -0.000) 0.000 10.751 ( 0.000 0.000 -0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 -0.000) 0.000 16.144 ( 0.000 0.000 -0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 17.371 ( 0.000 0.000 0.000) 0.000 18.374 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/124) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 6.070 10.514 0.000) 12.140 0.874 ( 12.062 20.893 0.000) 24.125 1.497 ( 19.416 33.630 0.000) 38.833 2.411 ( -0.517 -0.896 0.000) 1.034 2.417 ( 1.353 2.344 0.000) 2.706 2.456 ( 1.402 2.428 0.000) 2.804 2.579 ( 4.583 7.938 0.000) 9.167 2.792 ( -1.183 -2.050 0.000) 2.367 3.578 ( -3.081 -5.337 0.000) 6.163 3.826 ( -2.529 -4.380 0.000) 5.057 4.064 ( 1.745 3.022 0.000) 3.490 5.292 ( -2.530 -4.382 0.000) 5.060 6.250 ( -0.815 -1.412 0.000) 1.630 6.314 ( 0.411 0.711 0.000) 0.821 6.759 ( 2.093 3.626 0.000) 4.187 8.835 ( -0.799 -1.384 0.000) 1.598 9.217 ( -0.844 -1.462 0.000) 1.688 9.249 ( -0.055 -0.096 0.000) 0.111 9.343 ( -0.681 -1.180 0.000) 1.363 9.884 ( 1.748 3.027 0.000) 3.495 10.790 ( -0.411 -0.712 0.000) 0.822 13.321 ( 0.545 0.944 0.000) 1.090 13.457 ( 3.903 6.760 0.000) 7.806 16.517 ( -2.918 -5.054 0.000) 5.836 16.939 ( 1.220 2.114 0.000) 2.441 17.415 ( -0.426 -0.738 0.000) 0.852 18.430 ( -1.021 -1.768 0.000) 2.041 ======================= Grid point 13 (8/124) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 8.790 5.444 -1.627) 10.467 1.289 ( 11.506 18.961 -2.095) 22.278 2.152 ( 19.677 21.152 -0.768) 28.899 2.366 ( -0.459 -2.311 1.947) 3.057 2.444 ( -1.391 4.035 -0.802) 4.343 2.552 ( 4.101 2.077 1.102) 4.727 2.715 ( -0.501 3.904 1.118) 4.091 2.796 ( 6.647 2.163 -0.176) 6.993 3.487 ( -1.858 -3.027 1.228) 3.758 3.710 ( -5.824 -2.495 -1.149) 6.439 4.122 ( 2.941 -0.376 -1.167) 3.186 5.173 ( -5.273 -5.296 0.761) 7.512 6.215 ( -1.594 -0.941 0.234) 1.866 6.332 ( 1.012 0.324 -0.407) 1.137 6.847 ( 3.174 3.930 0.023) 5.052 8.803 ( -1.076 -1.451 -0.629) 1.913 9.145 ( -5.011 0.205 -0.675) 5.061 9.282 ( 3.825 -3.385 3.232) 6.044 9.318 ( 0.149 -1.592 -1.381) 2.113 9.954 ( 1.061 5.486 0.225) 5.592 10.770 ( -0.473 -1.460 -0.829) 1.744 13.324 ( -2.357 3.381 -0.531) 4.156 13.642 ( 9.828 4.291 -1.177) 10.788 16.393 ( -4.549 -5.908 -1.036) 7.528 16.989 ( 0.069 5.139 0.170) 5.142 17.397 ( -0.606 -0.730 0.040) 0.950 18.385 ( -0.596 -3.876 2.018) 4.411 ======================= Grid point 14 (9/124) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 6.837 1.653 -1.198) 7.135 1.651 ( 9.131 15.457 -2.775) 18.166 2.312 ( -0.603 0.679 -1.179) 1.488 2.446 ( -1.558 0.278 -0.699) 1.730 2.487 ( 0.698 2.101 1.926) 2.934 2.608 ( -2.599 1.881 0.135) 3.211 2.850 ( 11.920 8.739 -0.556) 14.791 3.002 ( 11.078 5.134 3.604) 12.731 3.457 ( 0.717 -1.576 0.450) 1.789 3.593 ( -5.357 0.037 -0.490) 5.379 4.154 ( 2.468 -2.716 -1.157) 3.848 5.009 ( -7.040 -4.696 0.461) 8.476 6.179 ( -1.859 0.035 0.268) 1.879 6.354 ( 1.339 -0.353 -0.445) 1.455 6.939 ( 2.706 3.354 0.035) 4.310 8.772 ( -0.854 -1.160 -0.653) 1.582 9.063 ( -3.951 -0.059 -0.393) 3.971 9.275 ( -0.563 -1.441 1.559) 2.197 9.344 ( 5.091 -4.840 0.104) 7.025 10.025 ( -0.917 7.669 0.347) 7.731 10.746 ( -0.022 -2.351 -1.028) 2.567 13.314 ( -3.124 4.357 -0.602) 5.395 13.860 ( 10.730 1.098 -1.253) 10.858 16.251 ( -4.618 -5.007 -1.051) 6.892 17.040 ( -2.181 8.095 0.086) 8.385 17.381 ( -0.481 -0.551 0.066) 0.734 18.336 ( 1.039 -6.149 2.214) 6.618 ======================= Grid point 15 (10/124) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.423 -1.527 -0.368) 3.767 1.895 ( 2.871 9.111 -1.662) 9.696 2.344 ( 1.114 4.377 -0.628) 4.560 2.393 ( -1.303 -3.033 -0.144) 3.304 2.479 ( -3.006 1.228 1.367) 3.523 2.539 ( -5.396 3.518 0.057) 6.442 3.057 ( 5.479 0.362 -1.122) 5.605 3.238 ( 7.320 1.685 2.466) 7.906 3.455 ( 1.201 -2.651 -0.447) 2.944 3.547 ( -2.302 4.134 0.368) 4.746 4.159 ( 2.293 -4.122 -0.508) 4.744 4.864 ( -4.519 -1.170 0.042) 4.668 6.155 ( -1.366 1.107 0.115) 1.762 6.369 ( 1.082 -1.057 -0.186) 1.524 6.999 ( 0.682 2.003 0.017) 2.116 8.752 ( -0.206 -0.648 -0.267) 0.730 9.013 ( -1.823 0.496 -0.126) 1.894 9.256 ( -0.153 -0.786 0.442) 0.915 9.375 ( 4.652 -6.437 0.215) 7.945 10.070 ( -3.527 8.548 0.182) 9.249 10.727 ( 0.995 -2.812 -0.472) 3.020 13.306 ( -3.065 4.853 -0.254) 5.745 14.010 ( 6.765 -3.461 -0.523) 7.617 16.150 ( -1.914 -2.331 -0.419) 3.045 17.071 ( -4.584 9.626 0.010) 10.662 17.371 ( -0.137 -0.270 0.034) 0.305 18.304 ( 3.209 -7.321 0.932) 8.047 ======================= Grid point 23 (11/124) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 2.957 5.121 0.000) 5.914 1.661 ( 9.619 16.660 0.000) 19.238 2.325 ( -0.255 -0.441 0.000) 0.510 2.434 ( 0.025 0.043 0.000) 0.050 2.542 ( 5.229 9.057 0.000) 10.459 2.605 ( 1.530 2.650 0.000) 3.059 2.852 ( 2.608 4.517 0.000) 5.216 2.867 ( 6.094 10.556 0.000) 12.189 3.441 ( -0.884 -1.530 0.000) 1.767 3.655 ( -1.440 -2.495 0.000) 2.881 4.104 ( -0.731 -1.265 0.000) 1.461 5.050 ( -3.769 -6.529 0.000) 7.539 6.200 ( -0.288 -0.499 0.000) 0.576 6.336 ( 0.012 0.020 0.000) 0.023 6.933 ( 2.436 4.218 0.000) 4.871 8.773 ( -0.802 -1.389 0.000) 1.604 9.133 ( -1.350 -2.338 0.000) 2.699 9.217 ( -0.918 -1.590 0.000) 1.836 9.289 ( -0.734 -1.271 0.000) 1.468 10.082 ( 3.774 6.537 0.000) 7.548 10.730 ( -1.431 -2.479 0.000) 2.863 13.393 ( 1.646 2.851 0.000) 3.292 13.737 ( 2.931 5.077 0.000) 5.862 16.266 ( -3.536 -6.124 0.000) 7.071 17.120 ( 4.168 7.220 0.000) 8.337 17.382 ( -0.416 -0.721 0.000) 0.833 18.281 ( -3.479 -6.026 0.000) 6.959 ======================= Grid point 24 (12/124) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 2.985 -0.077 -0.291) 3.000 1.937 ( 4.797 11.202 -1.056) 12.231 2.355 ( -0.519 0.023 -0.742) 0.906 2.375 ( 0.955 -0.845 0.621) 1.419 2.600 ( -4.748 6.019 1.082) 7.743 2.677 ( -1.678 5.930 -0.758) 6.209 2.946 ( 5.769 1.311 -1.155) 6.028 3.096 ( 8.496 1.359 2.342) 8.917 3.417 ( -0.027 -2.076 -0.378) 2.111 3.638 ( -1.289 4.769 0.347) 4.952 4.071 ( 0.869 -5.128 -0.461) 5.222 4.924 ( -4.080 -3.384 0.046) 5.301 6.195 ( -0.976 1.477 0.124) 1.775 6.335 ( 0.769 -1.515 -0.166) 1.707 7.007 ( 1.440 3.034 0.010) 3.358 8.750 ( -0.424 -0.903 -0.165) 1.011 9.068 ( -3.560 0.384 -0.414) 3.604 9.210 ( 2.984 -4.920 1.280) 5.895 9.270 ( 0.245 -1.494 -0.577) 1.620 10.203 ( 0.345 9.213 0.238) 9.222 10.676 ( -0.307 -4.505 -0.380) 4.532 13.432 ( -2.716 6.849 -0.128) 7.369 13.837 ( 6.563 -3.086 -0.344) 7.261 16.159 ( -2.458 -3.793 -0.229) 4.526 17.261 ( -0.725 13.041 -0.233) 13.063 17.370 ( -0.191 -0.435 0.063) 0.479 18.159 ( 0.211 -11.002 0.734) 11.028 ======================= Grid point 25 (13/124) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 1.634 -2.830 0.000) 3.268 2.042 ( -3.011 5.215 0.000) 6.021 2.303 ( 2.292 -3.970 0.000) 4.584 2.455 ( 0.049 -0.084 -0.000) 0.097 2.556 ( -6.727 11.651 -0.000) 13.454 2.684 ( -5.017 8.690 -0.000) 10.035 3.020 ( 2.250 -3.896 -0.000) 4.499 3.170 ( 4.547 -7.875 0.000) 9.093 3.402 ( 1.139 -1.972 0.000) 2.277 3.669 ( -4.022 6.966 -0.000) 8.043 4.047 ( 3.615 -6.261 -0.000) 7.230 4.865 ( -0.454 0.786 -0.000) 0.907 6.194 ( -1.433 2.483 0.000) 2.867 6.333 ( 1.317 -2.281 -0.000) 2.633 7.036 ( -0.861 1.490 0.000) 1.721 8.741 ( 0.235 -0.407 0.000) 0.470 9.037 ( -1.069 1.852 0.000) 2.139 9.211 ( 2.883 -4.993 -0.000) 5.766 9.265 ( 1.122 -1.944 -0.000) 2.244 10.259 ( -5.208 9.021 -0.000) 10.416 10.645 ( 2.857 -4.948 0.000) 5.713 13.443 ( -4.663 8.076 -0.000) 9.326 13.883 ( 4.732 -8.196 0.000) 9.464 16.115 ( 0.635 -1.099 0.000) 1.269 17.327 ( -7.878 13.646 -0.000) 15.757 17.368 ( -0.314 0.544 -0.000) 0.628 18.097 ( 7.027 -12.170 0.000) 14.053 ======================= Grid point 35 (14/124) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.285 -0.494 0.000) 0.571 2.104 ( 3.421 5.926 0.000) 6.842 2.249 ( -3.129 -5.420 0.000) 6.258 2.448 ( 1.256 2.176 0.000) 2.513 2.753 ( 5.013 8.682 0.000) 10.026 2.815 ( 3.283 5.686 0.000) 6.566 2.939 ( -0.898 -1.556 0.000) 1.796 3.021 ( -4.028 -6.977 0.000) 8.057 3.381 ( -0.673 -1.165 0.000) 1.346 3.771 ( 3.979 6.892 0.000) 7.959 3.954 ( -3.424 -5.931 0.000) 6.849 4.876 ( -0.697 -1.208 0.000) 1.395 6.234 ( 1.185 2.052 0.000) 2.370 6.296 ( -1.157 -2.004 0.000) 2.314 7.053 ( 0.718 1.243 0.000) 1.435 8.737 ( -0.188 -0.326 0.000) 0.376 9.077 ( 0.249 0.432 0.000) 0.499 9.129 ( -1.421 -2.461 0.000) 2.842 9.253 ( -0.214 -0.371 0.000) 0.429 10.381 ( 4.332 7.503 0.000) 8.664 10.566 ( -3.311 -5.734 0.000) 6.622 13.573 ( 3.555 6.157 0.000) 7.109 13.749 ( -2.779 -4.813 0.000) 5.558 16.104 ( -0.804 -1.392 0.000) 1.607 17.363 ( -0.097 -0.168 0.000) 0.194 17.543 ( 7.586 13.139 0.000) 15.172 17.908 ( -7.108 -12.311 0.000) 14.216 ======================= Grid point 109 (15/124) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 0.000 -0.000 15.886) 15.886 0.302 ( 0.000 0.000 15.886) 15.886 0.711 ( 0.000 0.000 36.007) 36.007 2.365 ( 0.000 0.000 -0.007) 0.007 2.365 ( 0.000 -0.000 -0.007) 0.007 2.387 ( 0.000 0.000 4.028) 4.028 2.857 ( 0.000 0.000 1.586) 1.586 3.740 ( 0.000 -0.000 -2.848) 2.848 3.740 ( 0.000 0.000 -2.848) 2.848 3.936 ( 0.000 0.000 0.659) 0.659 3.936 ( -0.000 -0.000 0.659) 0.659 4.215 ( 0.000 0.000 -1.145) 1.145 6.230 ( 0.000 -0.000 -5.260) 5.260 6.230 ( 0.000 0.000 -5.260) 5.260 6.667 ( 0.000 0.000 -1.216) 1.216 9.262 ( 0.000 0.000 1.598) 1.598 9.262 ( -0.000 0.000 1.598) 1.598 9.318 ( 0.000 0.000 -4.781) 4.781 9.824 ( 0.000 0.000 -0.216) 0.216 9.824 ( 0.000 0.000 -0.216) 0.216 9.966 ( 0.000 0.000 3.871) 3.871 13.318 ( 0.000 0.000 1.491) 1.491 13.318 ( 0.000 -0.000 1.491) 1.491 16.892 ( 0.000 0.000 -1.340) 1.340 16.892 ( 0.000 0.000 -1.340) 1.340 17.430 ( 0.000 0.000 -0.145) 0.145 18.204 ( 0.000 0.000 -1.038) 1.038 ======================= Grid point 110 (16/124) ======================= q-point: ( 0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 16.281 9.400 5.407) 19.562 0.581 ( 7.778 4.491 20.541) 22.419 1.079 ( 29.202 16.860 16.774) 37.661 2.372 ( 0.548 0.316 0.120) 0.644 2.431 ( 3.740 2.159 3.703) 5.688 2.446 ( 6.195 3.577 0.525) 7.172 2.744 ( -9.420 -5.439 6.074) 12.458 3.042 ( -14.431 -8.332 23.745) 29.009 3.729 ( -4.349 -2.511 2.152) 5.463 3.825 ( -4.864 -2.808 -3.491) 6.613 3.948 ( 3.953 2.282 -3.608) 5.819 4.947 ( 16.692 9.637 -26.263) 32.576 6.222 ( -0.900 -0.519 -5.097) 5.202 6.236 ( 0.547 0.316 -5.757) 5.792 6.695 ( 2.306 1.332 -1.217) 2.928 8.988 ( -13.040 -7.528 4.352) 15.673 9.234 ( -2.157 -1.246 1.493) 2.904 9.298 ( 1.687 0.974 1.429) 2.416 9.530 ( -2.708 -1.563 14.583) 14.915 9.843 ( 1.403 0.810 -0.125) 1.625 10.526 ( 12.548 7.244 -17.113) 22.423 13.302 ( -0.751 -0.434 1.024) 1.342 13.391 ( 5.024 2.901 2.787) 6.436 16.742 ( -7.942 -4.585 9.144) 12.950 16.906 ( 0.752 0.434 -1.070) 1.378 17.426 ( -0.466 -0.269 0.008) 0.538 18.290 ( 4.021 2.321 -11.395) 12.304 ======================= Grid point 111 (17/124) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 8.563 4.944 18.324) 20.821 0.917 ( 17.691 10.214 0.078) 20.428 1.790 ( 28.439 16.419 6.074) 33.396 2.388 ( 0.854 0.493 0.435) 1.078 2.528 ( -3.941 -2.275 7.019) 8.365 2.542 ( 5.035 2.907 3.570) 6.822 2.673 ( 8.215 4.743 1.863) 9.668 2.865 ( -4.608 -2.661 9.964) 11.296 3.616 ( -4.537 -2.619 3.379) 6.234 3.705 ( -5.053 -2.917 -2.959) 6.542 4.045 ( 3.798 2.193 -4.083) 5.993 5.095 ( -0.572 -0.331 -15.842) 15.856 6.190 ( -1.751 -1.011 -5.027) 5.419 6.255 ( 1.057 0.610 -5.870) 5.995 6.770 ( 3.890 2.246 -1.220) 4.655 8.808 ( -4.192 -2.420 -0.958) 4.934 9.169 ( -3.206 -1.851 1.433) 3.970 9.343 ( 1.860 1.074 1.495) 2.617 9.493 ( -1.033 -0.596 12.642) 12.698 9.884 ( 1.923 1.110 -0.148) 2.226 10.670 ( 2.404 1.388 -9.370) 9.772 13.285 ( -0.710 -0.410 0.870) 1.195 13.556 ( 8.821 5.093 2.835) 10.572 16.565 ( -7.395 -4.270 8.118) 11.782 16.926 ( 0.892 0.515 -1.006) 1.439 17.410 ( -0.829 -0.479 -0.023) 0.958 18.348 ( 1.164 0.672 -10.403) 10.489 ======================= Grid point 112 (18/124) ======================= q-point: ( 0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 8.231 4.752 16.134) 18.726 1.317 ( 15.948 9.207 -2.256) 18.552 2.280 ( 8.078 4.664 2.070) 9.555 2.410 ( 0.893 0.516 0.565) 1.176 2.481 ( 1.971 1.138 1.452) 2.699 2.632 ( 1.834 1.059 4.398) 4.881 2.780 ( 3.100 1.790 4.973) 6.128 2.952 ( 11.543 6.664 3.961) 13.904 3.536 ( -2.017 -1.165 3.310) 4.047 3.596 ( -4.066 -2.347 -0.522) 4.724 4.119 ( 2.416 1.395 -3.648) 4.593 5.002 ( -6.383 -3.685 -10.837) 13.106 6.144 ( -2.011 -1.161 -5.084) 5.589 6.284 ( 1.336 0.771 -5.793) 5.995 6.867 ( 4.080 2.356 -1.236) 4.871 8.743 ( -1.739 -1.004 -3.229) 3.803 9.093 ( -3.071 -1.773 1.451) 3.832 9.369 ( 0.175 0.101 3.670) 3.675 9.483 ( 0.285 0.164 9.184) 9.190 9.927 ( 1.704 0.984 -0.286) 1.988 10.699 ( 0.557 0.322 -5.680) 5.717 13.271 ( -0.413 -0.239 1.091) 1.191 13.789 ( 10.457 6.037 2.389) 12.309 16.392 ( -7.077 -4.086 6.128) 10.214 16.945 ( 0.688 0.397 -1.168) 1.412 17.390 ( -0.813 -0.469 -0.166) 0.953 18.354 ( -0.582 -0.336 -8.158) 8.185 ======================= Grid point 113 (19/124) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 5.179 2.990 16.937) 17.962 1.653 ( 12.079 6.974 -3.305) 14.333 2.307 ( -0.183 -0.106 1.804) 1.816 2.427 ( 0.557 0.322 0.546) 0.844 2.467 ( -3.106 -1.793 -0.865) 3.689 2.615 ( -2.984 -1.723 5.745) 6.699 2.971 ( 8.414 4.858 -0.504) 9.728 3.229 ( 10.083 5.822 4.435) 12.459 3.519 ( 0.169 0.097 2.432) 2.440 3.519 ( -2.229 -1.287 1.408) 2.934 4.162 ( 1.372 0.792 -2.773) 3.194 4.835 ( -6.729 -3.885 -8.644) 11.622 6.102 ( -1.444 -0.834 -5.262) 5.520 6.313 ( 1.063 0.614 -5.648) 5.780 6.949 ( 2.613 1.508 -1.275) 3.275 8.717 ( -0.518 -0.299 -3.499) 3.550 9.033 ( -1.851 -1.069 1.532) 2.630 9.359 ( -0.716 -0.413 6.898) 6.947 9.494 ( 0.281 0.163 4.439) 4.451 9.960 ( 0.947 0.547 -0.473) 1.191 10.710 ( 0.550 0.318 -3.658) 3.713 13.267 ( 0.061 0.035 1.607) 1.608 14.015 ( 7.919 4.572 2.505) 9.481 16.250 ( -4.514 -2.606 5.357) 7.474 16.956 ( 0.226 0.130 -1.494) 1.516 17.374 ( -0.519 -0.300 -0.294) 0.667 18.327 ( -1.534 -0.886 -7.515) 7.721 ======================= Grid point 114 (20/124) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.816 0.471 18.550) 18.574 1.847 ( 3.171 1.831 -2.214) 4.279 2.327 ( 1.076 0.621 0.889) 1.528 2.412 ( -0.157 -0.091 -0.199) 0.270 2.436 ( 0.206 0.119 0.437) 0.498 2.534 ( -2.500 -1.443 5.570) 6.274 3.089 ( 1.343 0.775 -1.302) 2.024 3.319 ( -3.683 -2.126 1.907) 4.661 3.504 ( 0.784 0.452 1.981) 2.178 3.517 ( -0.814 -0.470 1.443) 1.722 4.188 ( 0.904 0.522 -1.670) 1.969 4.745 ( 0.050 0.029 -7.587) 7.587 6.081 ( -0.191 -0.111 -5.488) 5.492 6.330 ( 0.292 0.169 -5.449) 5.459 6.981 ( -0.035 -0.020 -1.319) 1.319 8.717 ( 0.438 0.253 -3.241) 3.280 9.011 ( 0.091 0.053 1.633) 1.637 9.347 ( -0.154 -0.089 8.175) 8.177 9.486 ( -1.056 -0.610 1.806) 2.179 9.970 ( -0.102 -0.059 -0.621) 0.632 10.727 ( 0.863 0.498 -2.351) 2.553 13.274 ( 0.539 0.311 2.218) 2.303 14.126 ( 0.958 0.553 3.147) 3.336 16.204 ( 1.029 0.594 5.966) 6.084 16.955 ( -0.316 -0.183 -1.864) 1.899 17.367 ( -0.058 -0.033 -0.393) 0.399 18.287 ( -1.741 -1.005 -8.617) 8.849 ======================= Grid point 116 (21/124) ======================= q-point: (-0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -3.236 -1.869 19.531) 19.885 1.766 ( -9.395 -5.424 1.833) 11.002 2.337 ( 0.766 0.442 2.389) 2.547 2.435 ( -0.475 -0.274 1.202) 1.321 2.471 ( 3.233 1.867 -0.793) 3.817 2.539 ( 2.416 1.395 2.116) 3.501 3.040 ( -5.922 -3.419 1.015) 6.913 3.060 ( -15.962 -9.216 -1.789) 18.518 3.478 ( -2.146 -1.239 0.363) 2.505 3.563 ( 4.246 2.452 3.492) 6.019 4.202 ( 0.162 0.094 -0.712) 0.737 4.826 ( 5.700 3.291 -8.785) 10.977 6.093 ( 1.151 0.664 -5.652) 5.806 6.326 ( -0.605 -0.349 -5.260) 5.306 6.948 ( -2.654 -1.532 -1.334) 3.342 8.737 ( 1.223 0.706 -3.001) 3.316 9.037 ( 1.993 1.151 1.702) 2.862 9.351 ( 0.327 0.189 7.966) 7.975 9.450 ( -1.686 -0.974 1.513) 2.466 9.955 ( -1.112 -0.642 -0.664) 1.446 10.747 ( 0.692 0.399 -2.007) 2.160 13.290 ( 0.807 0.466 2.686) 2.843 14.056 ( -6.518 -3.763 3.790) 8.427 16.296 ( 6.322 3.650 7.892) 10.751 16.942 ( -0.738 -0.426 -2.138) 2.302 17.372 ( 0.448 0.259 -0.431) 0.673 18.250 ( -1.301 -0.751 -11.000) 11.102 ======================= Grid point 117 (22/124) ======================= q-point: (-0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -6.584 -3.801 20.466) 21.833 1.460 ( -15.664 -9.044 4.687) 18.685 2.357 ( -18.896 -10.910 -4.319) 22.243 2.388 ( 2.489 1.437 5.239) 5.975 2.417 ( -0.905 -0.523 1.380) 1.731 2.582 ( 0.182 0.105 1.476) 1.491 2.721 ( -4.704 -2.716 3.836) 6.649 2.899 ( -6.037 -3.485 0.585) 6.995 3.444 ( -0.031 -0.018 -1.240) 1.240 3.688 ( 5.997 3.462 3.964) 7.979 4.189 ( -1.372 -0.792 -0.049) 1.585 4.962 ( 5.057 2.919 -12.447) 13.749 6.131 ( 1.919 1.108 -5.690) 6.106 6.304 ( -1.194 -0.689 -5.212) 5.391 6.866 ( -4.067 -2.348 -1.308) 4.875 8.774 ( 2.017 1.165 -2.495) 3.413 9.099 ( 3.124 1.804 1.721) 3.997 9.342 ( -1.462 -0.844 3.108) 3.537 9.432 ( 0.571 0.330 7.038) 7.069 9.920 ( -1.777 -1.026 -0.598) 2.137 10.753 ( -0.341 -0.197 -3.234) 3.258 13.309 ( 0.739 0.426 2.832) 2.957 13.850 ( -10.258 -5.922 3.913) 12.474 16.472 ( 7.912 4.568 10.449) 13.880 16.922 ( -0.885 -0.511 -2.211) 2.436 17.387 ( 0.846 0.488 -0.319) 1.028 18.229 ( -0.413 -0.239 -13.661) 13.669 ======================= Grid point 118 (23/124) ======================= q-point: (-0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -8.731 -5.041 21.508) 23.753 1.057 ( -18.178 -10.495 6.804) 22.065 1.710 ( -31.205 -18.016 1.117) 36.050 2.395 ( -0.880 -0.508 1.198) 1.571 2.504 ( 6.387 3.688 6.558) 9.869 2.533 ( -3.914 -2.260 2.542) 5.185 2.608 ( -6.936 -4.004 1.856) 8.221 2.865 ( 3.045 1.758 7.194) 8.007 3.492 ( 3.941 2.275 -2.848) 5.368 3.824 ( 5.047 2.914 2.995) 6.553 4.135 ( -3.194 -1.844 0.481) 3.720 5.036 ( 0.448 0.259 -18.449) 18.456 6.177 ( 1.868 1.079 -5.612) 6.013 6.274 ( -1.295 -0.747 -5.370) 5.575 6.769 ( -3.849 -2.222 -1.261) 4.620 8.840 ( 3.995 2.307 -0.321) 4.625 9.175 ( 3.164 1.827 1.710) 4.034 9.298 ( -1.831 -1.057 0.985) 2.332 9.464 ( 1.803 1.041 10.831) 11.030 9.876 ( -1.879 -1.085 -0.476) 2.221 10.718 ( -3.075 -1.775 -7.243) 8.066 13.323 ( 0.375 0.216 2.605) 2.640 13.604 ( -10.004 -5.776 3.113) 11.964 16.645 ( 6.555 3.785 12.162) 14.325 16.903 ( -0.697 -0.403 -2.049) 2.202 17.409 ( 0.917 0.529 -0.040) 1.059 18.231 ( 0.480 0.277 -14.887) 14.897 ======================= Grid point 119 (24/124) ======================= q-point: (-0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -17.877 -10.321 10.100) 22.981 0.633 ( -13.666 -7.890 15.956) 22.441 0.992 ( -25.820 -14.907 16.854) 34.248 2.378 ( -0.612 -0.354 0.795) 1.064 2.433 ( -5.620 -3.245 -0.325) 6.497 2.434 ( -3.761 -2.172 3.337) 5.477 2.738 ( 10.957 6.326 7.451) 14.683 3.021 ( 14.733 8.506 22.221) 27.986 3.612 ( 5.786 3.340 -3.589) 7.584 3.906 ( 1.681 0.971 0.244) 1.957 4.042 ( -4.562 -2.634 0.988) 5.360 4.904 ( -15.242 -8.800 -28.239) 33.274 6.214 ( 1.183 0.683 -5.455) 5.623 6.246 ( -1.021 -0.589 -5.497) 5.622 6.695 ( -2.284 -1.319 -1.225) 2.908 9.012 ( 12.638 7.296 4.620) 15.307 9.238 ( 2.014 1.163 1.677) 2.867 9.266 ( -0.771 -0.445 1.204) 1.498 9.516 ( 3.244 1.873 13.838) 14.336 9.838 ( -1.230 -0.710 -0.346) 1.462 10.552 ( -13.791 -7.962 -16.253) 22.755 13.326 ( -0.113 -0.065 2.094) 2.098 13.401 ( -6.814 -3.934 1.465) 8.003 16.783 ( 5.604 3.236 10.345) 12.202 16.892 ( -0.238 -0.138 -1.715) 1.737 17.426 ( 0.474 0.274 0.035) 0.549 18.239 ( -0.361 -0.209 -11.862) 11.869 ======================= Grid point 121 (25/124) ======================= q-point: ( 0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.631 10.200 20.391) 22.809 0.917 ( 6.416 22.754 4.342) 24.037 1.550 ( 20.826 27.714 6.285) 35.232 2.410 ( 0.658 2.109 -0.155) 2.215 2.473 ( 2.476 3.601 3.753) 5.761 2.570 ( -0.528 1.100 6.040) 6.162 2.590 ( 3.650 -1.399 3.656) 5.352 2.890 ( -2.662 -5.300 10.600) 12.146 3.562 ( 1.025 -6.854 -1.529) 7.096 3.838 ( -5.506 -2.335 1.150) 6.091 4.046 ( -1.776 5.328 -1.822) 5.905 5.063 ( 3.404 0.967 -19.317) 19.639 6.196 ( -0.348 -1.676 -5.346) 5.613 6.256 ( -0.173 1.233 -5.617) 5.754 6.747 ( 2.106 3.585 -1.247) 4.341 8.852 ( -4.217 -4.759 0.565) 6.384 9.229 ( -3.417 0.142 1.279) 3.651 9.266 ( 3.803 -2.783 1.549) 4.961 9.482 ( -0.427 -2.472 12.169) 12.425 9.881 ( 2.089 2.823 -0.252) 3.521 10.671 ( 0.682 4.890 -10.017) 11.168 13.330 ( -0.747 1.712 1.135) 2.186 13.498 ( 2.546 7.839 3.422) 8.924 16.639 ( -6.632 -5.745 9.847) 13.189 16.927 ( 1.744 1.805 -1.115) 2.747 17.415 ( -0.441 -0.821 0.026) 0.932 18.281 ( 3.854 -2.291 -12.683) 13.453 ======================= Grid point 122 (26/124) ======================= q-point: ( 0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 5.901 6.626 17.727) 19.823 1.276 ( 8.155 20.982 0.701) 22.522 2.140 ( 16.668 16.064 0.884) 23.166 2.427 ( -0.212 0.829 0.151) 0.869 2.474 ( -1.448 0.164 6.206) 6.375 2.598 ( 4.391 2.228 3.640) 6.123 2.759 ( 2.962 2.360 2.289) 4.425 2.836 ( 5.100 1.886 5.168) 7.502 3.510 ( -0.005 -4.463 1.073) 4.591 3.707 ( -6.816 -0.332 0.812) 6.872 4.085 ( 1.606 1.347 -2.589) 3.332 5.045 ( -2.723 -4.161 -12.663) 13.604 6.166 ( -1.353 -1.135 -5.152) 5.446 6.269 ( 0.691 0.662 -5.756) 5.835 6.834 ( 3.205 3.852 -1.287) 5.174 8.766 ( -2.311 -1.639 -2.525) 3.795 9.153 ( -4.765 0.027 1.358) 4.955 9.312 ( 4.654 -3.662 1.383) 6.082 9.447 ( -0.313 -3.060 11.245) 11.658 9.956 ( 1.278 5.424 -0.082) 5.573 10.698 ( -0.305 0.776 -6.089) 6.145 13.328 ( -2.608 3.866 0.968) 4.762 13.664 ( 8.298 5.419 3.295) 10.444 16.462 ( -6.507 -5.837 7.290) 11.382 16.978 ( 0.147 4.606 -1.334) 4.798 17.397 ( -0.622 -0.801 -0.113) 1.020 18.302 ( 2.483 -4.647 -9.775) 11.105 ======================= Grid point 123 (27/124) ======================= q-point: ( 0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 6.611 3.012 16.895) 18.391 1.610 ( 7.151 17.151 -1.328) 18.629 2.314 ( -0.028 0.481 1.617) 1.687 2.432 ( -0.808 -0.778 -0.730) 1.339 2.518 ( -0.785 4.216 1.031) 4.410 2.646 ( -1.268 0.422 4.254) 4.459 2.856 ( 8.619 4.646 1.040) 9.847 3.082 ( 12.831 5.620 4.270) 14.644 3.478 ( 0.463 -2.762 1.818) 3.339 3.608 ( -4.804 1.683 1.908) 5.436 4.119 ( 2.259 -1.507 -2.407) 3.628 4.914 ( -6.175 -4.470 -9.636) 12.287 6.130 ( -1.910 -0.093 -5.191) 5.532 6.291 ( 1.387 -0.161 -5.731) 5.899 6.926 ( 2.736 3.240 -1.343) 4.448 8.727 ( -1.041 -0.618 -3.281) 3.497 9.075 ( -3.717 -0.142 1.463) 3.997 9.345 ( 2.566 -2.655 2.714) 4.583 9.414 ( 1.574 -5.136 8.674) 10.203 10.027 ( -1.044 7.732 -0.095) 7.803 10.693 ( 0.349 -1.166 -4.107) 4.284 13.322 ( -3.007 4.867 1.417) 5.894 13.875 ( 10.321 1.987 2.800) 10.877 16.300 ( -5.226 -4.675 5.727) 9.054 17.022 ( -2.041 7.272 -1.820) 7.769 17.379 ( -0.525 -0.592 -0.240) 0.827 18.279 ( 1.757 -6.733 -7.731) 10.401 ======================= Grid point 124 (28/124) ======================= q-point: ( 0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 3.967 -0.564 18.148) 18.585 1.853 ( 3.295 10.900 -2.249) 11.607 2.342 ( 1.196 4.121 0.382) 4.308 2.388 ( -1.048 -2.879 -0.217) 3.071 2.521 ( -3.598 6.096 0.990) 7.148 2.574 ( -4.792 -2.022 5.340) 7.454 3.031 ( 5.979 0.886 -1.209) 6.164 3.288 ( 5.045 -1.180 2.222) 5.638 3.466 ( 1.385 -2.357 1.690) 3.214 3.576 ( -2.798 4.248 2.551) 5.690 4.138 ( 2.788 -3.075 -1.579) 4.441 4.781 ( -4.092 -1.143 -8.180) 9.217 6.103 ( -1.541 0.977 -5.390) 5.690 6.311 ( 1.327 -0.911 -5.581) 5.808 6.985 ( 0.709 1.878 -1.402) 2.448 8.714 ( -0.052 -0.054 -3.127) 3.128 9.028 ( -1.639 0.517 1.571) 2.328 9.347 ( -0.137 -0.637 7.335) 7.364 9.399 ( 3.874 -7.648 2.864) 9.039 10.068 ( -3.873 8.452 -0.407) 9.305 10.694 ( 1.720 -2.045 -2.719) 3.812 13.323 ( -2.715 5.257 1.990) 6.243 14.034 ( 7.241 -2.825 2.941) 8.310 16.202 ( -1.517 -1.976 5.459) 6.000 17.050 ( -4.343 8.976 -2.181) 10.207 17.368 ( -0.206 -0.308 -0.351) 0.510 18.236 ( 2.072 -7.827 -7.588) 11.097 ======================= Grid point 125 (29/124) ======================= q-point: (-0.50 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.121 -3.216 19.237) 19.505 1.910 ( -6.345 3.800 -0.033) 7.396 2.361 ( -1.635 0.735 0.903) 2.007 2.395 ( 1.297 0.614 0.259) 1.458 2.505 ( -1.912 2.127 3.725) 4.697 2.542 ( 0.161 6.094 0.667) 6.132 3.061 ( -1.041 -3.490 -0.820) 3.733 3.208 ( -8.425 -7.943 -0.528) 11.591 3.480 ( 1.550 -1.728 2.009) 3.070 3.565 ( -2.328 4.081 2.271) 5.218 4.157 ( 2.878 -3.258 -0.628) 4.392 4.781 ( 2.822 2.884 -8.066) 9.019 6.098 ( -0.427 1.654 -5.581) 5.837 6.317 ( 0.647 -1.406 -5.391) 5.609 6.984 ( -2.037 0.314 -1.428) 2.507 8.722 ( 0.822 0.183 -2.911) 3.030 9.031 ( 0.610 1.990 1.674) 2.671 9.336 ( 0.402 -2.135 7.476) 7.785 9.390 ( 2.958 -5.727 2.057) 6.766 10.061 ( -5.777 7.083 -0.724) 9.169 10.711 ( 2.403 -1.979 -1.944) 3.670 13.333 ( -2.278 5.153 2.435) 6.138 14.051 ( 0.430 -7.352 3.487) 8.148 16.218 ( 4.168 0.534 6.350) 7.614 17.050 ( -5.939 8.766 -2.162) 10.806 17.366 ( 0.270 -0.045 -0.429) 0.509 18.202 ( 2.664 -6.717 -9.145) 11.655 ======================= Grid point 126 (30/124) ======================= q-point: (-0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -3.900 -5.128 19.651) 20.680 1.714 ( -16.559 -0.431 3.563) 16.943 2.349 ( 0.836 0.190 2.271) 2.427 2.436 ( 1.700 -2.776 -1.884) 3.762 2.483 ( -4.276 3.869 1.886) 6.067 2.621 ( -0.616 4.313 1.465) 4.597 2.878 ( -15.801 -5.527 2.151) 16.878 2.954 ( -5.620 -5.620 -1.214) 8.040 3.458 ( -1.227 -0.664 0.545) 1.498 3.629 ( 4.125 3.678 3.149) 6.360 4.163 ( 1.436 -3.550 -0.202) 3.835 4.899 ( 5.711 3.319 -10.120) 12.085 6.120 ( 0.831 1.705 -5.639) 5.949 6.305 ( -0.197 -1.506 -5.291) 5.505 6.925 ( -4.202 -0.709 -1.397) 4.485 8.745 ( 1.682 0.065 -2.794) 3.262 9.086 ( 2.029 3.782 1.741) 4.632 9.310 ( 0.983 -5.386 2.940) 6.214 9.399 ( 2.152 -1.272 6.863) 7.304 10.014 ( -6.076 4.597 -0.720) 7.653 10.731 ( 1.720 -1.739 -2.399) 3.426 13.345 ( -1.922 4.344 2.503) 5.370 13.914 ( -5.698 -9.038 3.922) 11.382 16.342 ( 8.356 0.714 7.929) 11.542 17.020 ( -6.025 6.390 -1.800) 8.965 17.376 ( 0.763 0.192 -0.389) 0.877 18.198 ( 2.629 -3.134 -11.410) 12.121 ======================= Grid point 127 (31/124) ======================= q-point: (-0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -7.183 -6.279 20.066) 22.218 1.356 ( -21.143 -3.187 4.748) 21.902 2.129 ( -26.411 -6.797 -1.959) 27.342 2.410 ( 2.207 1.276 3.459) 4.297 2.479 ( -0.848 3.916 3.539) 5.347 2.564 ( -3.718 -1.723 2.781) 4.952 2.723 ( -6.634 1.657 1.656) 7.035 2.831 ( -0.103 -2.345 3.559) 4.263 3.465 ( 1.835 1.900 -0.990) 2.821 3.749 ( 5.657 1.634 2.738) 6.494 4.130 ( -0.816 -4.241 -0.361) 4.333 5.018 ( 3.887 2.439 -13.782) 14.525 6.158 ( 1.593 1.232 -5.544) 5.899 6.282 ( -0.789 -1.231 -5.386) 5.581 6.833 ( -4.935 -0.776 -1.322) 5.168 8.784 ( 2.925 -0.308 -2.125) 3.628 9.171 ( 2.190 4.996 1.726) 5.722 9.270 ( 0.756 -5.014 1.195) 5.209 9.435 ( 2.308 0.294 9.931) 10.200 9.947 ( -5.189 2.116 -0.487) 5.625 10.728 ( -0.207 -1.896 -4.712) 5.083 13.349 ( -1.609 2.352 2.029) 3.498 13.697 ( -8.500 -7.259 3.888) 11.835 16.502 ( 9.305 -0.966 9.315) 13.202 16.973 ( -4.599 3.031 -1.376) 5.677 17.395 ( 1.039 0.262 -0.178) 1.087 18.230 ( 1.761 1.496 -12.901) 13.106 ======================= Grid point 132 (32/124) ======================= q-point: ( 0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 1.456 5.805 18.749) 19.681 1.687 ( 6.675 18.065 2.444) 19.414 2.326 ( -0.429 2.045 -0.036) 2.090 2.418 ( 0.553 -1.241 -1.016) 1.696 2.561 ( 4.562 6.153 1.862) 7.883 2.644 ( 1.872 2.702 3.868) 5.076 2.839 ( -0.815 6.154 -0.212) 6.211 2.913 ( 11.129 5.228 3.274) 12.724 3.455 ( -0.094 -1.063 1.376) 1.742 3.676 ( -1.664 -2.182 2.072) 3.438 4.097 ( -1.884 -0.193 -0.735) 2.032 4.942 ( -2.632 -5.581 -10.456) 12.141 6.147 ( 0.040 -0.726 -5.377) 5.426 6.279 ( -0.436 0.293 -5.575) 5.599 6.918 ( 2.421 4.122 -1.444) 4.994 8.739 ( -1.264 -1.050 -2.845) 3.286 9.152 ( -3.207 -1.102 1.626) 3.761 9.227 ( 2.013 -3.079 1.415) 3.941 9.392 ( -1.243 -2.257 9.229) 9.582 10.078 ( 4.234 6.154 -0.381) 7.480 10.694 ( -2.047 -1.074 -3.402) 4.113 13.408 ( 1.217 3.383 1.529) 3.907 13.777 ( 1.793 5.539 3.857) 6.984 16.335 ( -4.949 -6.265 6.707) 10.428 17.101 ( 3.660 6.994 -1.921) 8.125 17.380 ( -0.355 -0.821 -0.256) 0.930 18.184 ( -0.571 -6.375 -9.505) 11.459 ======================= Grid point 133 (33/124) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 2.676 0.953 18.748) 18.962 1.931 ( 2.752 12.574 0.507) 12.882 2.343 ( -0.394 -1.282 -0.589) 1.464 2.389 ( 1.152 2.103 0.800) 2.528 2.648 ( -3.939 4.152 3.865) 6.906 2.669 ( -1.573 5.521 0.197) 5.744 2.924 ( 5.383 1.603 -0.882) 5.685 3.135 ( 9.028 -1.744 1.295) 9.286 3.436 ( -0.439 -1.489 2.263) 2.745 3.667 ( -0.785 4.639 2.562) 5.357 4.061 ( 0.446 -4.015 -0.593) 4.083 4.834 ( -3.655 -3.122 -8.864) 10.083 6.142 ( -0.945 1.303 -5.364) 5.600 6.276 ( 0.712 -1.342 -5.660) 5.861 6.991 ( 1.452 2.896 -1.577) 3.603 8.717 ( -0.488 -0.284 -2.719) 2.777 9.081 ( -3.607 0.641 1.592) 3.995 9.242 ( 4.209 -6.025 1.730) 7.550 9.351 ( -0.959 -1.565 8.253) 8.455 10.202 ( 0.478 8.816 -0.414) 8.838 10.645 ( -0.393 -3.587 -2.612) 4.455 13.451 ( -2.599 7.269 1.934) 7.958 13.867 ( 6.103 -2.667 3.284) 7.426 16.213 ( -2.817 -3.690 5.557) 7.241 17.229 ( -0.938 12.408 -2.991) 12.798 17.368 ( -0.210 -0.424 -0.306) 0.563 18.093 ( 1.044 -11.167 -7.245) 13.353 ======================= Grid point 134 (34/124) ======================= q-point: ( 0.40 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 1.741 -2.244 19.380) 19.587 2.037 ( -2.098 6.605 -0.391) 6.942 2.303 ( 1.935 -4.070 0.143) 4.509 2.503 ( 2.925 4.174 3.810) 6.364 2.554 ( -9.544 6.064 0.807) 11.336 2.689 ( -4.784 9.205 0.412) 10.382 3.005 ( 3.423 -3.463 -1.267) 5.031 3.171 ( 2.189 -9.307 -0.144) 9.562 3.426 ( 1.552 -1.472 2.440) 3.245 3.692 ( -4.518 6.436 2.270) 8.184 4.048 ( 3.931 -5.340 0.114) 6.631 4.781 ( -0.360 0.675 -8.294) 8.329 6.139 ( -1.566 2.381 -5.519) 6.211 6.278 ( 1.504 -2.208 -5.547) 6.157 7.020 ( -0.804 1.367 -1.646) 2.285 8.714 ( 0.177 0.035 -2.470) 2.476 9.053 ( -0.852 2.048 1.665) 2.774 9.241 ( 3.168 -7.045 2.144) 8.017 9.335 ( 0.485 -0.470 7.295) 7.326 10.251 ( -5.463 8.673 -0.800) 10.281 10.626 ( 3.223 -4.457 -1.877) 5.812 13.466 ( -4.569 8.268 2.373) 9.740 13.915 ( 5.087 -8.077 3.179) 10.061 16.171 ( 0.965 -1.080 5.487) 5.675 17.295 ( -7.366 13.722 -3.207) 15.901 17.363 ( -0.179 -0.001 -0.454) 0.488 18.026 ( 5.765 -12.009 -7.093) 15.092 ======================= Grid point 136 (35/124) ======================= q-point: (-0.50 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -1.334 -2.813 19.487) 19.734 1.968 ( -10.512 0.874 1.992) 10.735 2.350 ( 5.072 -0.933 -0.967) 5.247 2.392 ( -6.332 -0.556 2.127) 6.703 2.607 ( -2.173 6.797 1.868) 7.376 2.692 ( -3.567 5.122 0.703) 6.281 2.957 ( -2.764 -5.594 -0.127) 6.241 3.060 ( -6.269 -3.931 -1.112) 7.482 3.447 ( 1.438 -1.275 2.499) 3.152 3.655 ( -3.375 3.738 2.167) 5.483 4.078 ( 3.865 -3.588 0.203) 5.278 4.833 ( 4.312 1.663 -8.839) 9.974 6.138 ( -0.825 1.732 -5.554) 5.876 6.281 ( 1.045 -1.637 -5.473) 5.808 6.991 ( -3.255 0.222 -1.593) 3.631 8.722 ( 0.798 -0.137 -2.577) 2.701 9.092 ( 1.703 3.545 1.807) 4.328 9.219 ( 2.036 -5.640 1.803) 6.262 9.354 ( 1.848 -0.266 7.672) 7.896 10.193 ( -8.089 4.552 -0.827) 9.319 10.659 ( 3.878 -2.475 -1.979) 5.008 13.456 ( -4.626 5.387 2.224) 7.441 13.877 ( -0.086 -7.489 3.598) 8.309 16.222 ( 5.232 -0.208 6.026) 7.983 17.238 ( -10.394 6.746 -2.552) 12.652 17.366 ( 0.533 0.033 -0.407) 0.671 18.066 ( 7.848 -4.500 -8.491) 12.407 ======================= Grid point 144 (36/124) ======================= q-point: ( 0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.283 -0.268 19.708) 19.712 2.110 ( 2.702 5.817 0.610) 6.442 2.248 ( -2.634 -5.118 -0.047) 5.756 2.499 ( 1.575 3.412 4.940) 6.207 2.730 ( 4.698 6.276 -1.599) 8.001 2.826 ( 2.888 6.293 0.458) 6.940 2.921 ( -2.415 -1.639 -1.233) 3.169 3.026 ( -1.879 -6.805 0.124) 7.061 3.408 ( -0.832 -1.096 2.609) 2.950 3.790 ( 4.154 6.349 1.906) 7.823 3.962 ( -3.549 -5.288 0.839) 6.423 4.790 ( -0.654 -1.117 -8.473) 8.572 6.178 ( 1.259 1.958 -5.528) 5.998 6.240 ( -1.252 -1.930 -5.581) 6.036 7.035 ( 0.687 1.183 -1.773) 2.239 8.714 ( -0.102 -0.082 -2.160) 2.164 9.096 ( -0.139 0.573 1.793) 1.888 9.147 ( -0.931 -2.661 1.823) 3.357 9.330 ( -0.363 -0.555 7.335) 7.364 10.371 ( 4.436 7.168 -1.012) 8.490 10.550 ( -3.412 -5.313 -1.621) 6.519 13.598 ( 3.683 6.419 2.488) 7.807 13.780 ( -3.029 -4.995 3.100) 6.613 16.158 ( -0.927 -1.456 5.376) 5.646 17.359 ( -0.110 -0.133 -0.434) 0.467 17.501 ( 6.913 12.556 -4.142) 14.920 17.846 ( -6.229 -11.785 -6.159) 14.684 ======================= Grid point 218 (37/124) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -0.000 0.000 17.119) 17.119 0.623 ( -0.000 0.000 17.119) 17.119 1.390 ( 0.000 0.000 33.418) 33.418 2.363 ( 0.000 0.000 -0.354) 0.354 2.363 ( 0.000 0.000 -0.354) 0.354 2.494 ( 0.000 0.000 6.635) 6.635 2.900 ( 0.000 0.000 2.695) 2.695 3.669 ( 0.000 -0.000 -4.205) 4.205 3.669 ( 0.000 0.000 -4.205) 4.205 3.947 ( 0.000 -0.000 0.391) 0.391 3.947 ( 0.000 0.000 0.391) 0.391 4.178 ( 0.000 0.000 -2.758) 2.758 6.088 ( 0.000 0.000 -8.982) 8.982 6.088 ( -0.000 -0.000 -8.982) 8.982 6.634 ( 0.000 0.000 -2.112) 2.112 9.205 ( 0.000 0.000 -6.410) 6.410 9.303 ( 0.000 -0.000 2.458) 2.458 9.303 ( 0.000 -0.000 2.458) 2.458 9.818 ( 0.000 0.000 -0.338) 0.338 9.818 ( 0.000 0.000 -0.338) 0.338 10.054 ( 0.000 0.000 4.829) 4.829 13.358 ( 0.000 0.000 2.518) 2.518 13.358 ( 0.000 0.000 2.518) 2.518 16.856 ( 0.000 -0.000 -2.278) 2.278 16.856 ( 0.000 -0.000 -2.278) 2.278 17.426 ( 0.000 0.000 -0.191) 0.191 18.176 ( 0.000 0.000 -1.789) 1.789 ======================= Grid point 219 (38/124) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 8.863 5.117 12.079) 15.832 0.931 ( 13.952 8.055 16.036) 22.731 1.521 ( 12.841 7.414 26.490) 30.358 2.371 ( 0.812 0.469 -0.196) 0.958 2.449 ( 6.772 3.910 -0.274) 7.825 2.535 ( 3.496 2.019 6.614) 7.748 2.816 ( -6.197 -3.578 3.139) 7.814 3.398 ( -13.639 -7.874 11.530) 19.518 3.750 ( -0.227 -0.131 -0.654) 0.704 3.756 ( -7.006 -4.045 -3.195) 8.698 3.882 ( 0.539 0.311 -2.473) 2.550 4.558 ( 14.905 8.606 -14.486) 22.496 6.082 ( -0.828 -0.478 -8.907) 8.958 6.090 ( 0.416 0.240 -9.039) 9.052 6.662 ( 2.295 1.325 -2.124) 3.397 8.996 ( -11.713 -6.763 -2.074) 13.683 9.274 ( -2.222 -1.283 2.403) 3.516 9.331 ( 1.844 1.064 1.983) 2.909 9.774 ( -1.509 -0.871 9.492) 9.650 9.838 ( 1.402 0.809 -0.335) 1.653 10.284 ( 11.508 6.644 -8.004) 15.512 13.336 ( -0.895 -0.517 2.371) 2.586 13.452 ( 6.284 3.628 3.249) 7.951 16.841 ( -2.036 -1.175 1.661) 2.878 16.873 ( 0.817 0.472 -2.199) 2.393 17.424 ( -0.312 -0.180 -0.222) 0.423 18.125 ( -2.365 -1.366 -5.835) 6.443 ======================= Grid point 220 (39/124) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 13.946 8.052 5.071) 16.883 1.159 ( 7.176 4.143 20.434) 22.050 1.959 ( 20.856 12.041 11.221) 26.569 2.394 ( 1.122 0.648 0.183) 1.309 2.615 ( 0.459 0.265 1.854) 1.928 2.645 ( 5.210 3.008 6.603) 8.932 2.714 ( 4.303 2.484 2.848) 5.727 3.107 ( -10.261 -5.924 12.456) 17.191 3.652 ( -2.673 -1.543 -2.359) 3.885 3.681 ( -3.802 -2.195 3.193) 5.428 3.952 ( 3.726 2.151 -5.401) 6.905 4.761 ( 2.966 1.712 -16.602) 16.952 6.051 ( -1.765 -1.019 -8.902) 9.133 6.108 ( 1.083 0.625 -8.976) 9.063 6.737 ( 3.870 2.234 -2.158) 4.962 8.782 ( -6.296 -3.635 -1.743) 7.475 9.207 ( -3.220 -1.859 2.364) 4.406 9.380 ( 2.181 1.259 2.080) 3.266 9.739 ( -1.665 -0.961 11.628) 11.786 9.878 ( 1.813 1.047 -0.442) 2.140 10.483 ( 5.630 3.250 -8.950) 11.061 13.318 ( -0.580 -0.335 2.505) 2.593 13.634 ( 9.062 5.232 4.648) 11.450 16.733 ( -6.852 -3.956 7.852) 11.147 16.892 ( 0.780 0.450 -2.320) 2.489 17.409 ( -0.936 -0.540 -0.139) 1.089 18.108 ( 0.651 0.376 -12.594) 12.617 ======================= Grid point 221 (40/124) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 13.895 8.023 0.728) 16.062 1.328 ( 7.460 4.307 19.153) 21.001 2.348 ( 9.047 5.223 4.055) 11.206 2.420 ( 0.995 0.574 0.498) 1.252 2.524 ( -4.086 -2.359 3.660) 5.972 2.747 ( 2.809 1.622 7.234) 7.928 2.857 ( 2.033 1.174 2.346) 3.319 3.057 ( 9.162 5.289 6.372) 12.350 3.604 ( -1.633 -0.943 1.327) 2.305 3.606 ( -2.265 -1.308 3.802) 4.615 4.032 ( 2.949 1.702 -5.263) 6.268 4.738 ( -3.986 -2.301 -14.829) 15.526 6.004 ( -2.124 -1.226 -8.995) 9.324 6.138 ( 1.367 0.789 -8.928) 9.067 6.833 ( 4.047 2.337 -2.205) 5.167 8.683 ( -2.562 -1.479 -2.912) 4.151 9.131 ( -3.030 -1.749 2.380) 4.231 9.428 ( 1.880 1.085 2.651) 3.426 9.693 ( -2.239 -1.292 11.003) 11.302 9.918 ( 1.528 0.882 -0.652) 1.882 10.575 ( 2.749 1.587 -6.447) 7.186 13.311 ( -0.056 -0.033 2.874) 2.875 13.868 ( 10.360 5.982 5.194) 13.042 16.551 ( -7.882 -4.551 9.290) 13.005 16.907 ( 0.443 0.256 -2.593) 2.643 17.385 ( -0.966 -0.558 -0.330) 1.163 18.126 ( 0.371 0.214 -14.039) 14.046 ======================= Grid point 222 (41/124) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 6.749 3.897 19.043) 20.576 1.600 ( 11.262 6.502 -1.744) 13.120 2.374 ( -2.464 -1.423 4.729) 5.519 2.438 ( 0.436 0.252 0.535) 0.735 2.455 ( -2.409 -1.391 0.160) 2.787 2.757 ( -1.891 -1.092 8.626) 8.899 2.972 ( 6.220 3.591 0.394) 7.193 3.296 ( 7.775 4.489 2.072) 9.214 3.573 ( -0.861 -0.497 4.114) 4.233 3.576 ( -0.588 -0.339 3.284) 3.353 4.092 ( 2.260 1.305 -4.388) 5.105 4.619 ( -5.000 -2.887 -12.525) 13.792 5.958 ( -1.619 -0.935 -9.171) 9.360 6.167 ( 1.082 0.625 -8.987) 9.073 6.914 ( 2.574 1.486 -2.254) 3.730 8.648 ( -0.603 -0.348 -3.475) 3.544 9.073 ( -1.783 -1.029 2.434) 3.188 9.468 ( 1.534 0.886 3.916) 4.298 9.633 ( -2.887 -1.667 9.109) 9.700 9.946 ( 0.792 0.457 -0.869) 1.262 10.629 ( 1.944 1.122 -4.382) 4.923 13.316 ( 0.508 0.294 3.338) 3.390 14.094 ( 8.015 4.627 5.210) 10.620 16.394 ( -4.703 -2.715 8.900) 10.426 16.912 ( -0.062 -0.036 -2.915) 2.916 17.366 ( -0.632 -0.365 -0.514) 0.893 18.114 ( -1.414 -0.817 -13.515) 13.613 ======================= Grid point 223 (42/124) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.413 1.393 21.725) 21.903 1.801 ( 4.943 2.854 -2.072) 6.072 2.352 ( 0.837 0.483 1.697) 1.953 2.416 ( -0.205 -0.118 0.876) 0.908 2.440 ( -0.087 -0.050 0.158) 0.187 2.686 ( -3.287 -1.898 9.509) 10.239 3.063 ( 0.762 0.440 -1.248) 1.527 3.336 ( -5.164 -2.982 -0.654) 5.999 3.555 ( -1.588 -0.917 2.388) 3.011 3.576 ( 1.481 0.855 5.510) 5.769 4.140 ( 1.796 1.037 -3.257) 3.861 4.557 ( 0.367 0.212 -10.814) 10.822 5.934 ( -0.336 -0.194 -9.342) 9.350 6.185 ( 0.337 0.194 -9.080) 9.088 6.945 ( -0.054 -0.031 -2.284) 2.285 8.648 ( 0.513 0.296 -3.617) 3.665 9.053 ( 0.143 0.082 2.481) 2.487 9.503 ( 1.338 0.773 4.375) 4.640 9.560 ( -3.015 -1.741 8.236) 8.942 9.954 ( -0.156 -0.090 -0.979) 0.995 10.669 ( 1.411 0.815 -3.382) 3.755 13.333 ( 0.902 0.521 3.717) 3.860 14.208 ( 1.108 0.640 5.017) 5.178 16.359 ( 2.133 1.232 9.360) 9.678 16.905 ( -0.540 -0.312 -3.169) 3.229 17.357 ( -0.136 -0.079 -0.641) 0.660 18.062 ( -2.940 -1.697 -13.792) 14.203 ======================= Grid point 225 (43/124) ======================= q-point: (-0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -2.980 -1.720 22.997) 23.253 1.794 ( -5.768 -3.330 1.290) 6.784 2.384 ( 1.713 0.989 2.038) 2.840 2.442 ( 0.153 0.089 -0.507) 0.537 2.458 ( 2.201 1.271 0.057) 2.543 2.640 ( -0.313 -0.180 7.952) 7.960 2.996 ( -6.792 -3.922 -2.408) 8.204 3.099 ( -11.880 -6.859 2.271) 13.904 3.497 ( -3.150 -1.819 1.453) 3.917 3.650 ( 4.595 2.653 5.415) 7.581 4.172 ( 0.771 0.445 -2.389) 2.550 4.613 ( 3.328 1.921 -12.185) 12.776 5.943 ( 1.109 0.640 -9.403) 9.490 6.182 ( -0.556 -0.321 -9.112) 9.135 6.912 ( -2.636 -1.522 -2.273) 3.799 8.670 ( 1.387 0.801 -3.574) 3.917 9.079 ( 2.004 1.157 2.488) 3.398 9.466 ( -3.426 -1.978 2.566) 4.715 9.563 ( 2.335 1.348 10.219) 10.569 9.939 ( -1.047 -0.604 -0.922) 1.520 10.689 ( 0.110 0.063 -3.687) 3.689 13.356 ( 0.946 0.546 3.861) 4.012 14.139 ( -6.649 -3.839 4.492) 8.896 16.491 ( 8.510 4.913 11.452) 15.090 16.888 ( -0.813 -0.469 -3.258) 3.390 17.360 ( 0.456 0.263 -0.731) 0.900 17.984 ( -3.395 -1.960 -15.457) 15.946 ======================= Grid point 226 (44/124) ======================= q-point: (-0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -7.179 -4.145 21.491) 23.035 1.561 ( -13.045 -7.531 5.760) 16.127 2.293 ( -15.758 -9.098 -1.112) 18.229 2.436 ( -0.737 -0.425 -0.048) 0.852 2.482 ( 3.582 2.068 4.378) 6.023 2.649 ( 0.082 0.047 5.605) 5.606 2.836 ( -5.025 -2.901 6.866) 8.990 2.913 ( -1.791 -1.034 0.720) 2.190 3.432 ( -1.621 -0.936 -0.023) 1.872 3.774 ( 5.391 3.113 4.700) 7.801 4.171 ( -0.923 -0.533 -1.813) 2.103 4.674 ( 1.304 0.753 -15.853) 15.924 5.981 ( 1.972 1.138 -9.343) 9.617 6.161 ( -1.191 -0.688 -9.070) 9.173 6.831 ( -4.025 -2.324 -2.225) 5.153 8.717 ( 2.764 1.596 -3.159) 4.491 9.141 ( 3.113 1.797 2.466) 4.359 9.389 ( -2.988 -1.725 2.264) 4.126 9.627 ( 2.923 1.688 11.108) 11.609 9.907 ( -1.641 -0.947 -0.739) 2.033 10.664 ( -2.428 -1.402 -5.420) 6.102 13.375 ( 0.603 0.348 3.718) 3.783 13.924 ( -10.895 -6.290 3.575) 13.078 16.715 ( 9.326 5.384 13.544) 17.303 16.869 ( -0.777 -0.449 -3.144) 3.270 17.379 ( 1.132 0.654 -0.546) 1.417 17.919 ( -1.634 -0.943 -17.135) 17.239 ======================= Grid point 227 (45/124) ======================= q-point: (-0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -15.512 -8.956 9.650) 20.346 1.257 ( -13.114 -7.571 15.414) 21.607 1.822 ( -19.855 -11.463 12.002) 25.878 2.412 ( -1.194 -0.689 0.045) 1.379 2.559 ( -1.382 -0.798 1.329) 2.077 2.613 ( -3.061 -1.767 5.648) 6.663 2.702 ( -0.421 -0.243 4.973) 4.997 3.047 ( 10.108 5.836 10.157) 15.472 3.444 ( 2.629 1.518 -2.055) 3.666 3.877 ( 2.733 1.578 2.265) 3.885 4.128 ( -2.693 -1.555 -1.210) 3.336 4.655 ( -3.443 -1.988 -18.900) 19.314 6.029 ( 1.975 1.141 -9.226) 9.504 6.130 ( -1.307 -0.755 -8.986) 9.112 6.735 ( -3.807 -2.198 -2.168) 4.902 8.814 ( 5.902 3.407 -2.170) 7.152 9.217 ( 3.156 1.822 2.452) 4.392 9.330 ( -1.881 -1.086 2.151) 3.057 9.695 ( 2.818 1.627 11.621) 12.067 9.866 ( -1.747 -1.008 -0.534) 2.086 10.559 ( -6.980 -4.030 -8.275) 11.551 13.382 ( 0.019 0.011 3.347) 3.348 13.657 ( -11.094 -6.405 2.453) 13.042 16.854 ( -0.446 -0.257 -2.867) 2.912 16.877 ( 3.647 2.105 10.076) 10.921 17.409 ( 1.145 0.661 0.010) 1.323 17.939 ( 3.879 2.240 -13.607) 14.326 ======================= Grid point 228 (46/124) ======================= q-point: (-0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -18.869 -10.894 10.417) 24.150 0.861 ( -13.876 -8.012 13.905) 21.216 1.485 ( -8.438 -4.872 28.914) 30.511 2.383 ( -1.182 -0.683 -0.325) 1.403 2.430 ( -5.502 -3.176 -0.101) 6.354 2.532 ( -3.048 -1.760 6.424) 7.324 2.820 ( 5.981 3.453 3.299) 7.654 3.379 ( 18.527 10.697 13.018) 25.042 3.541 ( 5.200 3.002 -3.577) 6.989 3.886 ( -1.820 -1.051 -2.508) 3.272 4.048 ( -4.000 -2.310 -0.392) 4.636 4.481 ( -11.952 -6.901 -15.781) 20.965 6.069 ( 1.316 0.760 -9.097) 9.223 6.103 ( -0.930 -0.537 -8.925) 8.989 6.662 ( -2.263 -1.307 -2.126) 3.369 9.013 ( 10.888 6.286 -2.622) 12.842 9.280 ( 1.999 1.154 2.464) 3.376 9.302 ( -0.464 -0.268 2.335) 2.395 9.759 ( 2.725 1.573 9.864) 10.354 9.830 ( -1.135 -0.655 -0.399) 1.370 10.315 ( -13.696 -7.907 -8.156) 17.794 13.376 ( -0.554 -0.320 2.890) 2.960 13.434 ( -7.084 -4.090 2.069) 8.437 16.849 ( 0.057 0.033 -2.534) 2.535 16.890 ( -1.605 -0.927 1.567) 2.427 17.424 ( 0.251 0.145 -0.221) 0.365 18.083 ( 6.846 3.953 -4.967) 9.336 ======================= Grid point 230 (47/124) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.667 21.471 7.717) 22.825 1.138 ( 4.118 11.728 17.472) 21.442 1.766 ( 15.324 16.061 15.863) 27.284 2.406 ( 0.272 2.302 -0.338) 2.343 2.548 ( 5.696 5.276 2.375) 8.119 2.616 ( 4.297 5.502 4.221) 8.158 2.706 ( -3.689 -6.107 4.729) 8.559 3.142 ( -4.870 -13.420 12.598) 19.041 3.525 ( 3.677 -6.239 -2.037) 7.523 3.865 ( -5.503 -0.810 1.397) 5.735 3.993 ( -5.213 8.000 -3.611) 10.209 4.687 ( 7.013 3.358 -17.553) 19.198 6.052 ( -0.050 -1.864 -9.066) 9.256 6.111 ( -0.336 1.261 -8.959) 9.053 6.713 ( 2.091 3.528 -2.158) 4.634 8.840 ( -5.358 -6.859 -1.666) 8.862 9.263 ( -3.010 -0.186 2.092) 3.670 9.305 ( 3.278 -2.482 2.330) 4.726 9.724 ( -0.364 -3.275 11.352) 11.821 9.875 ( 2.371 2.689 -0.264) 3.595 10.475 ( 1.975 9.113 -9.154) 13.067 13.366 ( -1.789 2.268 2.415) 3.765 13.569 ( 4.444 8.216 3.731) 10.058 16.797 ( -5.023 -3.165 4.485) 7.440 16.909 ( 0.279 2.257 0.020) 2.274 17.415 ( -0.517 -0.810 -0.080) 0.964 18.035 ( 3.320 -5.952 -11.091) 13.017 ======================= Grid point 231 (48/124) ======================= q-point: ( 0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 4.068 11.456 13.785) 18.380 1.337 ( 4.524 17.025 9.281) 19.911 2.201 ( 14.469 10.285 5.250) 18.512 2.427 ( -0.271 1.458 0.129) 1.489 2.589 ( -4.373 -0.983 5.056) 6.757 2.700 ( 5.242 2.655 6.764) 8.960 2.782 ( 6.997 2.032 0.308) 7.292 2.984 ( 0.774 -3.268 8.609) 9.241 3.529 ( 2.513 -4.062 0.955) 4.871 3.740 ( -6.994 1.247 2.528) 7.541 4.022 ( 0.238 3.734 -3.834) 5.357 4.749 ( 0.067 -2.400 -16.127) 16.305 6.025 ( -1.215 -1.299 -9.006) 9.180 6.123 ( 0.637 0.666 -8.986) 9.033 6.799 ( 3.200 3.726 -2.228) 5.393 8.716 ( -3.308 -2.546 -2.557) 4.895 9.190 ( -4.586 -0.048 2.272) 5.118 9.348 ( 4.763 -3.712 2.123) 6.401 9.676 ( -0.797 -4.041 11.331) 12.057 9.953 ( 1.360 5.371 -0.146) 5.543 10.562 ( 0.984 3.587 -7.158) 8.066 13.362 ( -2.289 4.007 2.463) 5.231 13.752 ( 7.969 6.007 5.204) 11.254 16.632 ( -7.365 -5.837 9.048) 13.046 16.942 ( -0.500 4.221 -2.146) 4.762 17.393 ( -0.764 -0.941 -0.229) 1.234 18.056 ( 4.184 -4.815 -14.185) 15.553 ======================= Grid point 232 (49/124) ======================= q-point: ( 0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 6.268 5.123 17.639) 19.408 1.609 ( 4.303 18.052 1.928) 18.658 2.372 ( 0.922 -1.925 3.779) 4.340 2.421 ( -0.348 -1.455 -0.045) 1.496 2.541 ( -3.365 4.642 1.864) 6.029 2.767 ( 0.303 0.399 7.734) 7.750 2.881 ( 6.556 1.918 1.275) 6.949 3.155 ( 11.724 2.902 2.889) 12.419 3.528 ( 1.074 -2.396 3.253) 4.181 3.662 ( -4.083 2.737 3.497) 6.033 4.062 ( 1.648 0.739 -3.384) 3.836 4.672 ( -4.218 -3.652 -14.087) 15.151 5.987 ( -2.004 -0.220 -9.093) 9.314 6.144 ( 1.439 -0.223 -9.013) 9.130 6.890 ( 2.763 3.038 -2.321) 4.717 8.662 ( -1.395 -0.568 -3.253) 3.585 9.114 ( -3.622 -0.100 2.391) 4.341 9.392 ( 4.753 -4.240 2.315) 6.777 9.615 ( -1.061 -4.552 10.657) 11.636 10.022 ( -1.326 7.676 -0.403) 7.800 10.601 ( 1.427 0.426 -5.015) 5.232 13.366 ( -2.501 5.177 3.025) 6.497 13.959 ( 9.843 2.381 5.410) 11.481 16.452 ( -5.998 -4.925 9.147) 11.996 16.972 ( -2.117 6.197 -3.177) 7.278 17.372 ( -0.636 -0.691 -0.450) 1.041 18.063 ( 2.718 -6.030 -13.554) 15.082 ======================= Grid point 233 (50/124) ======================= q-point: ( 0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 5.486 1.398 20.136) 20.917 1.821 ( 1.523 12.338 -0.554) 12.444 2.360 ( 0.567 1.179 1.570) 2.044 2.390 ( -0.450 -1.871 0.646) 2.029 2.533 ( -4.180 6.371 0.729) 7.655 2.723 ( -3.529 -2.268 9.174) 10.088 3.015 ( 5.053 0.413 -0.462) 5.091 3.306 ( 4.082 -4.059 -0.719) 5.802 3.522 ( 1.121 -1.965 3.894) 4.503 3.644 ( -3.016 4.602 4.338) 7.007 4.099 ( 2.690 -0.902 -2.439) 3.741 4.574 ( -2.609 -1.201 -12.168) 12.502 5.956 ( -1.693 0.872 -9.257) 9.451 6.164 ( 1.404 -0.959 -9.082) 9.240 6.947 ( 0.788 1.643 -2.397) 3.010 8.648 ( -0.182 0.307 -3.471) 3.489 9.069 ( -1.586 0.574 2.476) 2.996 9.426 ( 4.415 -5.385 2.364) 7.353 9.553 ( -1.019 -3.459 10.247) 10.863 10.055 ( -4.179 8.230 -0.849) 9.269 10.630 ( 2.427 -1.157 -3.558) 4.460 13.379 ( -2.356 5.612 3.581) 7.062 14.116 ( 7.191 -2.635 5.212) 9.264 16.347 ( -1.258 -1.908 8.912) 9.200 16.991 ( -3.918 7.794 -3.725) 9.485 17.358 ( -0.294 -0.376 -0.593) 0.761 18.030 ( 1.295 -7.223 -12.940) 14.876 ======================= Grid point 234 (51/124) ======================= q-point: (-0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.490 -2.799 22.757) 22.933 1.902 ( -3.553 6.287 -0.449) 7.235 2.381 ( 1.740 -1.206 1.349) 2.511 2.403 ( -0.902 2.933 0.421) 3.097 2.530 ( -3.397 6.954 -0.025) 7.740 2.648 ( -0.948 -0.946 8.784) 8.885 3.034 ( -1.412 -3.191 -1.689) 3.877 3.203 ( -7.336 -8.758 -0.483) 11.435 3.527 ( -0.114 -1.174 2.680) 2.928 3.637 ( -1.217 3.997 5.056) 6.559 4.135 ( 2.586 -1.639 -1.673) 3.489 4.579 ( 2.372 1.585 -11.854) 12.193 5.949 ( -0.514 1.640 -9.357) 9.514 6.171 ( 0.737 -1.440 -9.133) 9.275 6.946 ( -1.904 0.120 -2.406) 3.071 8.657 ( 0.698 0.510 -3.506) 3.611 9.073 ( 0.618 1.987 2.477) 3.235 9.417 ( 2.012 -7.893 2.218) 8.442 9.535 ( 1.405 0.061 10.438) 10.533 10.043 ( -5.745 6.876 -1.038) 9.020 10.659 ( 2.243 -1.794 -3.232) 4.323 13.395 ( -2.122 5.210 3.829) 6.805 14.135 ( 0.478 -7.224 4.928) 8.758 16.380 ( 5.723 0.477 9.702) 11.274 16.992 ( -5.227 8.346 -3.554) 10.469 17.355 ( 0.230 -0.084 -0.703) 0.745 17.972 ( 0.383 -6.472 -13.802) 15.249 ======================= Grid point 235 (52/124) ======================= q-point: (-0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -4.419 -5.970 21.321) 22.577 1.791 ( -13.705 1.283 4.710) 14.549 2.375 ( -2.281 -3.781 -0.383) 4.432 2.417 ( 2.376 -0.744 0.949) 2.664 2.523 ( -3.584 4.860 1.709) 6.275 2.686 ( -0.085 4.462 5.719) 7.254 2.918 ( -6.889 -1.887 1.016) 7.215 2.956 ( -7.741 -6.996 1.827) 10.593 3.478 ( -3.325 -0.041 1.486) 3.642 3.710 ( 4.401 2.708 4.928) 7.141 4.147 ( 1.143 -2.907 -1.443) 3.440 4.653 ( 3.051 1.891 -14.169) 14.617 5.971 ( 0.821 1.834 -9.325) 9.539 6.161 ( -0.126 -1.575 -9.113) 9.249 6.888 ( -4.054 -0.813 -2.338) 4.750 8.683 ( 1.854 0.322 -3.363) 3.853 9.127 ( 2.017 3.632 2.363) 4.780 9.359 ( 0.560 -6.926 2.422) 7.359 9.584 ( 3.147 0.808 10.721) 11.202 9.998 ( -5.859 4.661 -0.858) 7.536 10.663 ( 0.376 -2.394 -4.258) 4.899 13.406 ( -1.921 3.756 3.643) 5.574 13.999 ( -6.031 -8.694 4.529) 11.510 16.533 ( 10.460 -0.544 10.741) 15.002 16.977 ( -5.248 6.946 -2.269) 8.996 17.366 ( 0.892 0.308 -0.689) 1.168 17.925 ( -0.012 -2.466 -15.724) 15.916 ======================= Grid point 236 (53/124) ======================= q-point: (-0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -8.293 -7.002 18.536) 21.479 1.471 ( -18.719 -5.827 7.439) 20.969 2.133 ( -19.125 -2.790 3.390) 19.622 2.438 ( -0.532 0.130 0.173) 0.574 2.564 ( 1.911 5.366 4.201) 7.077 2.664 ( -3.541 0.406 6.829) 7.704 2.759 ( -7.628 -3.286 1.549) 8.449 2.935 ( 5.995 2.381 6.665) 9.276 3.452 ( -0.449 2.783 -0.274) 2.832 3.812 ( 4.905 -0.096 3.526) 6.041 4.108 ( -1.030 -5.259 -1.826) 5.662 4.704 ( -0.011 2.367 -16.997) 17.161 6.011 ( 1.607 1.486 -9.209) 9.466 6.138 ( -0.751 -1.340 -9.032) 9.162 6.798 ( -4.820 -0.796 -2.237) 5.373 8.735 ( 4.146 -0.018 -2.717) 4.957 9.209 ( 2.227 4.525 2.151) 5.482 9.306 ( 0.487 -4.826 2.364) 5.396 9.654 ( 3.451 1.075 11.418) 11.977 9.937 ( -5.052 2.439 -0.519) 5.634 10.612 ( -3.162 -3.241 -6.579) 7.986 13.400 ( -1.633 0.934 3.057) 3.590 13.777 ( -9.492 -6.279 4.055) 12.081 16.699 ( 9.604 -3.185 9.051) 13.576 16.950 ( -3.689 3.049 -0.218) 4.790 17.391 ( 1.362 0.432 -0.245) 1.450 17.938 ( 1.047 3.824 -15.799) 16.289 ======================= Grid point 241 (54/124) ======================= q-point: ( 0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.428 7.327 20.351) 21.634 1.748 ( 3.867 19.138 3.772) 19.886 2.326 ( 2.320 1.893 0.377) 3.018 2.417 ( -0.935 -1.891 1.101) 2.380 2.608 ( 2.736 2.719 2.821) 4.779 2.751 ( 2.825 1.670 7.027) 7.756 2.839 ( -0.074 5.016 -0.064) 5.017 2.978 ( 9.172 1.237 3.020) 9.735 3.492 ( 1.665 0.248 2.387) 2.921 3.734 ( -2.069 -1.357 3.809) 4.542 4.077 ( -2.451 1.376 -1.334) 3.112 4.683 ( -1.333 -3.761 -15.112) 15.630 6.002 ( 0.225 -0.909 -9.143) 9.191 6.133 ( -0.581 0.299 -9.103) 9.126 6.880 ( 2.337 3.932 -2.401) 5.166 8.679 ( -1.440 -1.184 -3.150) 3.661 9.189 ( -2.965 -1.006 2.063) 3.750 9.268 ( 1.693 -2.725 2.508) 4.072 9.598 ( -1.334 -3.496 10.976) 11.596 10.068 ( 4.493 5.647 -0.575) 7.239 10.610 ( -1.821 0.978 -4.911) 5.328 13.452 ( 0.910 4.134 2.843) 5.099 13.872 ( 1.910 5.499 5.463) 7.983 16.501 ( -6.294 -6.660 9.594) 13.267 17.052 ( 2.403 6.173 -2.828) 7.202 17.372 ( -0.345 -1.036 -0.474) 1.191 17.943 ( 2.107 -5.617 -14.362) 15.565 ======================= Grid point 242 (55/124) ======================= q-point: ( 0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 2.519 3.064 21.062) 21.432 1.958 ( 0.012 13.656 2.284) 13.845 2.333 ( 0.394 -2.529 -0.172) 2.566 2.405 ( 0.746 3.643 0.980) 3.846 2.677 ( -2.085 7.632 0.889) 7.961 2.764 ( -2.137 -0.682 7.563) 7.888 2.916 ( 4.908 0.863 0.118) 4.984 3.137 ( 8.280 -4.558 -1.137) 9.520 3.499 ( -0.286 -0.950 4.048) 4.168 3.733 ( -0.402 4.571 4.101) 6.154 4.050 ( 0.027 -1.973 -0.517) 2.040 4.607 ( -2.682 -2.555 -13.704) 14.196 5.997 ( -0.989 1.163 -9.191) 9.317 6.128 ( 0.729 -1.377 -9.165) 9.297 6.949 ( 1.450 2.620 -2.594) 3.962 8.658 ( -0.545 0.093 -3.265) 3.312 9.122 ( -3.525 0.781 2.443) 4.360 9.283 ( 4.117 -5.586 2.347) 7.325 9.542 ( -1.170 -2.582 10.511) 10.887 10.188 ( 0.429 8.200 -0.916) 8.262 10.582 ( -0.036 -2.315 -3.601) 4.281 13.504 ( -2.152 7.830 3.403) 8.805 13.955 ( 5.602 -2.738 5.444) 8.277 16.359 ( -3.295 -3.899 9.012) 10.357 17.151 ( -1.360 10.896 -4.752) 11.965 17.359 ( -0.258 -0.552 -0.594) 0.851 17.897 ( 2.043 -9.844 -12.188) 15.799 ======================= Grid point 243 (56/124) ======================= q-point: ( 0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 2.069 -1.318 22.609) 22.742 2.035 ( -2.937 8.009 0.416) 8.541 2.314 ( 2.143 -3.697 1.195) 4.437 2.514 ( -0.990 11.087 -1.062) 11.182 2.663 ( -4.489 -1.051 7.602) 8.891 2.700 ( -5.163 7.286 1.607) 9.074 2.981 ( 3.222 -3.772 -0.955) 5.051 3.154 ( 1.970 -9.464 -1.670) 9.810 3.491 ( 1.296 -1.168 3.981) 4.346 3.754 ( -4.409 5.719 3.964) 8.238 4.052 ( 3.467 -3.540 0.270) 4.962 4.567 ( 0.070 0.200 -12.918) 12.920 5.991 ( -1.643 2.330 -9.286) 9.713 6.130 ( 1.588 -2.245 -9.192) 9.594 6.976 ( -0.668 1.113 -2.687) 2.984 8.657 ( -0.013 0.431 -3.268) 3.296 9.096 ( -0.890 2.146 2.546) 3.447 9.287 ( 3.304 -6.841 2.461) 7.986 9.515 ( 0.357 -0.858 10.242) 10.284 10.229 ( -5.479 8.161 -1.350) 9.922 10.578 ( 3.273 -3.816 -2.827) 5.768 13.529 ( -4.552 8.605 3.934) 10.500 13.998 ( 5.187 -8.214 5.060) 10.954 16.315 ( 1.341 -1.159 8.942) 9.116 17.209 ( -6.256 12.464 -5.414) 14.960 17.351 ( -0.097 -0.262 -0.693) 0.747 17.839 ( 4.180 -10.691 -11.503) 16.251 ======================= Grid point 245 (57/124) ======================= q-point: (-0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -2.070 -3.330 22.410) 22.750 2.011 ( -7.756 2.618 2.508) 8.561 2.340 ( 3.041 -2.274 0.206) 3.803 2.428 ( -7.137 -0.794 1.188) 7.279 2.664 ( -4.990 5.125 2.459) 7.564 2.722 ( 1.229 6.645 3.931) 7.818 2.947 ( -1.960 -4.818 -0.674) 5.245 3.048 ( -4.576 -3.636 -0.329) 5.854 3.507 ( 0.433 -0.779 3.473) 3.586 3.720 ( -2.942 3.368 4.311) 6.211 4.080 ( 2.883 -3.159 -0.019) 4.277 4.608 ( 3.282 0.908 -13.552) 13.973 5.990 ( -0.799 1.867 -9.264) 9.484 6.135 ( 1.115 -1.742 -9.184) 9.414 6.949 ( -3.027 0.105 -2.600) 3.992 8.663 ( 0.551 0.024 -3.288) 3.334 9.133 ( 1.551 3.456 2.329) 4.447 9.265 ( 1.926 -5.814 2.631) 6.666 9.538 ( 2.458 0.160 10.397) 10.685 10.173 ( -7.723 4.690 -1.154) 9.108 10.606 ( 2.985 -2.808 -3.304) 5.264 13.515 ( -5.026 4.899 3.650) 7.911 13.966 ( 0.232 -7.185 5.178) 8.860 16.377 ( 6.221 -0.669 9.370) 11.267 17.169 ( -8.672 5.963 -4.249) 11.350 17.355 ( 0.598 0.147 -0.711) 0.941 17.850 ( 5.252 -3.308 -12.943) 14.354 ======================= Grid point 253 (58/124) ======================= q-point: ( 0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.248 0.195 22.930) 22.932 2.131 ( 2.339 4.900 1.669) 5.681 2.255 ( -2.317 -4.171 1.038) 4.883 2.602 ( 3.558 11.304 3.158) 12.264 2.729 ( 2.578 -1.687 3.649) 4.776 2.822 ( 1.945 3.702 -0.500) 4.212 2.903 ( -2.019 -1.256 -0.808) 2.511 3.016 ( -1.418 -5.378 -1.210) 5.691 3.476 ( -0.788 -1.035 4.147) 4.346 3.842 ( 3.826 5.358 3.299) 7.364 3.985 ( -3.116 -4.011 1.527) 5.304 4.570 ( -0.604 -0.954 -13.404) 13.451 6.031 ( 1.275 1.877 -9.255) 9.529 6.092 ( -1.291 -1.909 -9.246) 9.529 6.989 ( 0.614 1.051 -2.841) 3.090 8.661 ( 0.006 0.124 -3.147) 3.150 9.140 ( -0.046 0.703 2.566) 2.661 9.193 ( -0.963 -2.603 2.698) 3.871 9.507 ( -0.478 -0.871 10.103) 10.152 10.344 ( 4.293 6.564 -1.642) 8.013 10.508 ( -3.209 -4.557 -2.521) 6.117 13.665 ( 3.952 7.053 4.106) 9.068 13.861 ( -3.319 -5.554 4.942) 8.141 16.301 ( -1.093 -1.602 8.870) 9.080 17.347 ( -0.098 0.406 -0.895) 0.988 17.392 ( 5.615 10.285 -6.684) 13.490 17.684 ( -4.789 -10.014 -10.066) 14.985 ======================= Grid point 327 (59/124) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 0.000 17.984) 17.984 0.966 ( 0.000 -0.000 17.984) 17.984 1.999 ( 0.000 0.000 28.836) 28.836 2.344 ( 0.000 0.000 -1.813) 1.813 2.344 ( -0.000 0.000 -1.813) 1.813 2.631 ( 0.000 0.000 7.064) 7.064 2.957 ( 0.000 0.000 3.123) 3.123 3.585 ( 0.000 0.000 -4.228) 4.228 3.585 ( 0.000 -0.000 -4.228) 4.228 3.950 ( 0.000 0.000 -0.013) 0.013 3.950 ( 0.000 0.000 -0.013) 0.013 4.104 ( 0.000 0.000 -4.916) 4.916 5.898 ( 0.000 -0.000 -10.092) 10.092 5.898 ( 0.000 -0.000 -10.092) 10.092 6.589 ( 0.000 0.000 -2.401) 2.401 9.083 ( 0.000 -0.000 -5.885) 5.885 9.352 ( 0.000 0.000 2.395) 2.395 9.352 ( 0.000 -0.000 2.395) 2.395 9.811 ( 0.000 0.000 -0.335) 0.335 9.811 ( 0.000 0.000 -0.335) 0.335 10.143 ( 0.000 0.000 4.093) 4.093 13.411 ( 0.000 0.000 2.757) 2.757 13.411 ( 0.000 0.000 2.757) 2.757 16.808 ( 0.000 -0.000 -2.515) 2.515 16.808 ( 0.000 -0.000 -2.515) 2.515 17.423 ( 0.000 0.000 -0.125) 0.125 18.138 ( 0.000 0.000 -2.014) 2.014 ======================= Grid point 328 (60/124) ======================= q-point: ( 0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.724 2.150 15.769) 16.345 1.239 ( 15.139 8.740 15.976) 23.681 2.037 ( 3.847 2.221 25.439) 25.824 2.360 ( 1.183 0.683 -1.133) 1.775 2.426 ( 6.603 3.812 -2.452) 8.009 2.673 ( 3.524 2.035 7.133) 8.212 2.879 ( -5.352 -3.090 3.452) 7.079 3.517 ( -2.797 -1.615 1.852) 3.723 3.691 ( 3.889 2.245 -4.770) 6.551 3.716 ( -11.883 -6.861 -0.991) 13.757 3.870 ( -2.986 -1.724 0.808) 3.541 4.338 ( 9.678 5.588 -8.966) 14.328 5.892 ( -0.828 -0.478 -10.128) 10.173 5.900 ( 0.499 0.288 -9.994) 10.011 6.617 ( 2.268 1.310 -2.421) 3.567 8.938 ( -9.295 -5.367 -3.463) 11.278 9.322 ( -2.254 -1.301 2.399) 3.539 9.371 ( 1.581 0.913 1.998) 2.707 9.831 ( 1.339 0.773 -0.404) 1.598 9.898 ( 4.021 2.322 3.488) 5.808 10.197 ( 4.717 2.723 -1.413) 5.627 13.390 ( -0.765 -0.442 2.970) 3.099 13.512 ( 7.090 4.093 2.849) 8.668 16.824 ( 0.714 0.412 -2.655) 2.780 16.839 ( 2.134 1.232 -1.303) 2.787 17.419 ( -0.353 -0.204 -0.236) 0.471 18.042 ( -6.742 -3.893 -3.066) 8.367 ======================= Grid point 329 (61/124) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 9.125 5.268 10.316) 14.746 1.537 ( 8.886 5.131 18.285) 20.967 2.208 ( 10.231 5.907 13.494) 17.934 2.393 ( 1.553 0.897 -0.424) 1.843 2.605 ( 5.831 3.367 -2.574) 7.208 2.784 ( 5.443 3.142 7.344) 9.666 2.787 ( -0.022 -0.013 4.404) 4.404 3.299 ( -11.790 -6.807 6.917) 15.270 3.621 ( 0.777 0.448 -0.651) 1.108 3.729 ( -1.360 -0.785 0.695) 1.717 3.850 ( 1.995 1.152 -4.015) 4.629 4.479 ( 2.340 1.351 -12.227) 12.522 5.860 ( -1.816 -1.049 -10.190) 10.403 5.920 ( 1.193 0.689 -9.819) 9.915 6.691 ( 3.825 2.209 -2.474) 5.063 8.742 ( -6.619 -3.821 -2.226) 7.960 9.255 ( -3.227 -1.863 2.385) 4.424 9.418 ( 2.264 1.307 1.736) 3.139 9.868 ( 1.662 0.960 -0.549) 1.996 9.931 ( -0.789 -0.455 8.103) 8.154 10.338 ( 6.175 3.565 -5.959) 9.293 13.377 ( -0.292 -0.169 3.343) 3.360 13.720 ( 10.110 5.837 3.867) 12.298 16.840 ( 0.561 0.324 -2.928) 2.999 16.848 ( -2.331 -1.346 3.942) 4.773 17.405 ( -0.937 -0.541 -0.264) 1.114 17.897 ( -4.288 -2.476 -8.684) 9.997 ======================= Grid point 330 (62/124) ======================= q-point: ( 0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 10.590 6.114 5.124) 13.258 1.692 ( 5.596 3.231 18.093) 19.212 2.411 ( 4.386 2.532 2.116) 5.489 2.428 ( 1.255 0.725 0.180) 1.460 2.626 ( -1.697 -0.980 6.314) 6.611 2.874 ( 3.138 1.812 -0.364) 3.642 2.900 ( 3.721 2.148 8.069) 9.141 3.171 ( 3.343 1.930 4.669) 6.059 3.647 ( 1.108 0.639 3.010) 3.271 3.678 ( -2.124 -1.226 3.255) 4.075 3.920 ( 3.275 1.891 -5.911) 7.017 4.466 ( -2.834 -1.636 -12.513) 12.934 5.811 ( -2.236 -1.291 -10.293) 10.612 5.952 ( 1.368 0.790 -9.723) 9.851 6.786 ( 4.002 2.310 -2.535) 5.271 8.630 ( -3.134 -1.810 -2.516) 4.408 9.179 ( -3.008 -1.737 2.390) 4.216 9.473 ( 2.327 1.344 1.851) 3.263 9.884 ( -2.875 -1.660 8.388) 9.021 9.904 ( 1.340 0.774 -0.756) 1.722 10.463 ( 4.476 2.584 -4.843) 7.083 13.377 ( 0.283 0.163 3.738) 3.752 13.971 ( 10.817 6.245 5.001) 13.455 16.727 ( -7.029 -4.058 8.428) 11.701 16.849 ( 0.191 0.110 -3.229) 3.237 17.378 ( -1.156 -0.668 -0.376) 1.387 17.849 ( -0.494 -0.285 -13.563) 13.575 ======================= Grid point 331 (63/124) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 9.398 5.426 1.343) 10.935 1.836 ( 6.818 3.936 15.146) 17.070 2.430 ( -0.867 -0.501 0.782) 1.270 2.448 ( 0.380 0.219 0.461) 0.636 2.530 ( -5.309 -3.065 7.282) 9.519 2.938 ( -0.603 -0.348 9.573) 9.598 2.980 ( 5.100 2.944 0.293) 5.896 3.301 ( 3.929 2.269 -1.603) 4.812 3.640 ( -1.261 -0.728 2.954) 3.293 3.674 ( 1.249 0.721 5.964) 6.136 3.996 ( 3.149 1.818 -5.288) 6.417 4.384 ( -3.140 -1.813 -10.907) 11.494 5.762 ( -1.749 -1.010 -10.419) 10.613 5.980 ( 0.976 0.564 -9.788) 9.853 6.866 ( 2.543 1.468 -2.580) 3.909 8.585 ( -0.890 -0.514 -2.966) 3.139 9.121 ( -1.758 -1.015 2.400) 3.144 9.524 ( 1.972 1.138 2.111) 3.105 9.806 ( -3.521 -2.033 8.025) 8.997 9.928 ( 0.663 0.383 -0.934) 1.208 10.551 ( 3.021 1.744 -3.371) 4.851 13.390 ( 0.767 0.443 4.003) 4.100 14.202 ( 7.980 4.607 5.485) 10.724 16.573 ( -4.856 -2.803 9.021) 10.622 16.848 ( -0.254 -0.147 -3.447) 3.460 17.355 ( -0.745 -0.430 -0.553) 1.023 17.836 ( -1.137 -0.657 -14.200) 14.261 ======================= Grid point 332 (64/124) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 5.490 3.169 -0.339) 6.348 1.993 ( 5.393 3.114 16.013) 17.181 2.401 ( -1.971 -1.138 3.656) 4.307 2.443 ( -0.718 -0.414 0.167) 0.845 2.450 ( 0.078 0.045 2.539) 2.540 2.888 ( -2.987 -1.725 10.919) 11.451 3.041 ( -0.669 -0.386 -0.919) 1.200 3.294 ( -4.380 -2.529 -3.316) 6.048 3.602 ( -2.239 -1.293 2.179) 3.381 3.703 ( 1.508 0.871 7.080) 7.291 4.065 ( 2.606 1.504 -4.320) 5.264 4.354 ( 0.597 0.345 -9.587) 9.611 5.736 ( -0.390 -0.225 -10.482) 10.491 5.995 ( 0.237 0.137 -9.936) 9.940 6.896 ( -0.054 -0.031 -2.589) 2.590 8.580 ( 0.416 0.240 -3.237) 3.272 9.101 ( 0.141 0.081 2.386) 2.392 9.552 ( -0.136 -0.079 1.761) 1.768 9.740 ( -1.371 -0.791 8.661) 8.804 9.934 ( -0.150 -0.087 -0.981) 0.996 10.605 ( 1.455 0.840 -3.008) 3.445 13.411 ( 0.978 0.565 4.034) 4.189 14.310 ( 0.607 0.350 5.156) 5.203 16.545 ( 3.016 1.741 9.122) 9.764 16.838 ( -0.602 -0.347 -3.500) 3.569 17.344 ( -0.249 -0.144 -0.664) 0.723 17.784 ( -3.376 -1.949 -13.934) 14.469 ======================= Grid point 334 (65/124) ======================= q-point: (-0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -2.038 -1.177 1.721) 2.916 2.017 ( -3.995 -2.307 18.167) 18.743 2.405 ( 2.001 1.155 0.824) 2.453 2.423 ( -0.773 -0.446 -1.221) 1.512 2.496 ( 2.803 1.618 3.484) 4.755 2.825 ( -1.946 -1.123 10.613) 10.848 2.953 ( -5.192 -2.998 -1.923) 6.296 3.131 ( -8.452 -4.880 1.008) 9.812 3.529 ( -3.830 -2.211 1.685) 4.733 3.765 ( 3.780 2.182 6.100) 7.501 4.112 ( 1.262 0.728 -3.699) 3.976 4.382 ( 1.040 0.600 -11.043) 11.108 5.745 ( 1.167 0.673 -10.408) 10.495 5.991 ( -0.567 -0.327 -10.028) 10.049 6.864 ( -2.604 -1.504 -2.561) 3.950 8.602 ( 1.492 0.861 -3.286) 3.710 9.127 ( 1.976 1.141 2.343) 3.271 9.508 ( -3.092 -1.785 1.881) 4.035 9.758 ( 2.427 1.401 9.123) 9.544 9.921 ( -0.908 -0.524 -0.861) 1.356 10.614 ( -0.866 -0.500 -3.821) 3.950 13.433 ( 0.810 0.467 3.816) 3.928 14.224 ( -7.492 -4.325 4.158) 9.598 16.714 ( 10.571 6.103 10.709) 16.239 16.822 ( -0.717 -0.414 -3.367) 3.467 17.343 ( 0.266 0.154 -1.007) 1.053 17.684 ( -4.709 -2.719 -14.479) 15.466 ======================= Grid point 335 (66/124) ======================= q-point: (-0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -9.203 -5.313 6.674) 12.548 1.831 ( -11.522 -6.652 13.103) 18.674 2.352 ( -7.871 -4.544 7.555) 11.818 2.408 ( -0.663 -0.383 -2.614) 2.724 2.568 ( 3.640 2.102 4.635) 6.258 2.793 ( -1.267 -0.731 8.737) 8.858 2.893 ( -6.028 -3.480 -1.381) 7.097 2.979 ( 3.542 2.045 5.791) 7.090 3.442 ( -2.948 -1.702 0.930) 3.529 3.862 ( 3.777 2.180 4.144) 6.016 4.121 ( -0.468 -0.270 -3.217) 3.262 4.382 ( -1.142 -0.659 -13.583) 13.647 5.785 ( 2.076 1.199 -10.257) 10.534 5.970 ( -1.134 -0.655 -10.021) 10.106 6.783 ( -3.978 -2.297 -2.512) 5.235 8.656 ( 3.198 1.846 -3.056) 4.793 9.189 ( 3.089 1.783 2.299) 4.243 9.433 ( -2.978 -1.719 2.205) 4.085 9.828 ( 3.192 1.843 9.243) 9.951 9.893 ( -1.447 -0.835 -0.635) 1.787 10.556 ( -4.165 -2.405 -5.442) 7.263 13.446 ( 0.310 0.179 3.435) 3.454 13.988 ( -11.782 -6.803 3.059) 13.945 16.806 ( -0.557 -0.321 -3.095) 3.161 16.967 ( 8.271 4.775 11.861) 15.228 17.364 ( 1.913 1.105 -1.110) 2.472 17.599 ( -0.877 -0.506 -14.879) 14.914 ======================= Grid point 336 (67/124) ======================= q-point: (-0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -11.970 -6.911 11.487) 17.972 1.482 ( -17.321 -10.000 9.799) 22.272 2.151 ( -7.260 -4.191 19.340) 21.078 2.386 ( -1.164 -0.672 -2.762) 3.072 2.587 ( -5.342 -3.084 1.381) 6.321 2.744 ( -3.014 -1.740 7.423) 8.199 2.775 ( 1.565 0.904 2.810) 3.341 3.215 ( 13.272 7.663 6.635) 16.700 3.416 ( 0.979 0.565 -0.676) 1.318 3.901 ( -1.304 -0.753 -0.126) 1.510 4.091 ( -2.021 -1.167 -2.481) 3.406 4.337 ( -2.471 -1.427 -13.239) 13.544 5.836 ( 2.066 1.193 -10.138) 10.415 5.941 ( -1.268 -0.732 -10.004) 10.110 6.689 ( -3.764 -2.173 -2.459) 4.994 8.764 ( 6.196 3.577 -2.794) 7.681 9.265 ( 3.165 1.827 2.290) 4.313 9.376 ( -1.804 -1.042 2.346) 3.137 9.856 ( -1.599 -0.923 -0.421) 1.894 9.893 ( 1.995 1.152 8.631) 8.934 10.413 ( -7.906 -4.565 -6.584) 11.256 13.446 ( -0.316 -0.183 3.041) 3.063 13.705 ( -11.541 -6.663 2.457) 13.551 16.797 ( -0.186 -0.107 -2.787) 2.795 17.006 ( -3.912 -2.258 2.938) 5.388 17.408 ( 0.886 0.512 -0.171) 1.037 17.737 ( 11.756 6.787 -6.742) 15.156 ======================= Grid point 337 (68/124) ======================= q-point: (-0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -13.598 -7.851 14.056) 21.074 1.153 ( -10.523 -6.075 15.658) 19.819 2.032 ( -3.009 -1.737 26.418) 26.646 2.358 ( -1.063 -0.614 -2.429) 2.722 2.422 ( -6.168 -3.561 -0.900) 7.179 2.668 ( -2.872 -1.658 7.123) 7.857 2.883 ( 5.208 3.007 3.259) 6.841 3.479 ( 3.958 2.285 -2.615) 5.266 3.554 ( 13.614 7.860 5.710) 16.724 3.808 ( -4.441 -2.564 -5.322) 7.391 4.030 ( -3.089 -1.784 -1.367) 3.820 4.253 ( -5.338 -3.082 -8.489) 10.491 5.877 ( 1.378 0.795 -10.087) 10.212 5.914 ( -0.971 -0.560 -10.055) 10.118 6.616 ( -2.238 -1.292 -2.418) 3.539 8.946 ( 8.689 5.016 -3.808) 10.731 9.328 ( 2.035 1.175 2.337) 3.314 9.350 ( -0.344 -0.198 2.421) 2.453 9.823 ( -1.084 -0.626 -0.320) 1.292 9.894 ( -2.823 -1.630 4.184) 5.304 10.217 ( -6.980 -4.030 -2.245) 8.367 13.432 ( -0.805 -0.465 2.783) 2.934 13.481 ( -6.758 -3.902 2.616) 8.230 16.798 ( 0.253 0.146 -2.564) 2.581 16.881 ( -5.145 -2.971 -1.849) 6.222 17.419 ( 0.305 0.176 -0.247) 0.430 18.017 ( 9.813 5.666 -2.299) 11.562 ======================= Grid point 339 (69/124) ======================= q-point: ( 0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -1.962 17.769 10.884) 20.930 1.453 ( 9.742 11.434 15.154) 21.338 2.125 ( 5.551 6.317 19.408) 21.151 2.390 ( 1.312 1.947 -1.574) 2.827 2.551 ( 5.306 7.850 -1.490) 9.592 2.737 ( 3.206 3.497 7.038) 8.488 2.789 ( -2.473 -4.696 4.186) 6.759 3.334 ( -5.230 -15.184 6.921) 17.488 3.492 ( 5.151 -4.299 -1.164) 6.809 3.866 ( -0.031 4.111 -3.000) 5.090 3.927 ( -10.455 6.638 -1.365) 12.459 4.403 ( 6.728 0.835 -11.662) 13.489 5.861 ( 0.018 -1.955 -10.118) 10.305 5.922 ( -0.276 1.273 -9.958) 10.043 6.667 ( 2.059 3.477 -2.455) 4.728 8.796 ( -4.925 -6.987 -2.572) 8.927 9.306 ( -2.423 -0.757 2.141) 3.321 9.350 ( 2.307 -1.874 2.224) 3.713 9.860 ( 1.422 1.812 0.347) 2.329 9.919 ( 1.260 -0.656 7.045) 7.187 10.328 ( 1.852 8.645 -5.992) 10.680 13.419 ( -1.924 2.424 2.915) 4.251 13.638 ( 6.199 8.473 3.179) 10.970 16.804 ( 0.694 -0.871 -1.865) 2.173 16.929 ( -2.031 5.295 0.637) 5.707 17.411 ( -0.479 -0.632 -0.290) 0.844 17.872 ( -1.062 -11.512 -5.734) 12.905 ======================= Grid point 340 (70/124) ======================= q-point: ( 0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 2.000 18.396 6.638) 19.659 1.659 ( 4.104 6.933 17.850) 19.584 2.326 ( 7.902 4.362 6.537) 11.145 2.432 ( 0.858 2.455 0.483) 2.645 2.667 ( -2.789 2.429 2.420) 4.420 2.775 ( 7.768 -0.955 0.395) 7.837 2.853 ( 4.374 3.104 7.836) 9.496 3.131 ( -1.329 -7.252 5.923) 9.457 3.552 ( 4.960 -2.529 1.470) 5.759 3.798 ( -6.406 2.296 3.204) 7.522 3.937 ( -0.731 6.337 -4.936) 8.065 4.459 ( 1.000 -2.873 -13.183) 13.529 5.833 ( -1.238 -1.373 -10.212) 10.378 5.935 ( 0.732 0.595 -9.805) 9.850 6.752 ( 3.161 3.622 -2.531) 5.433 8.667 ( -3.617 -3.155 -2.469) 5.398 9.235 ( -4.357 -0.221 2.281) 4.923 9.388 ( 4.577 -3.532 1.844) 6.069 9.860 ( -0.870 -2.579 6.663) 7.197 9.959 ( 1.078 4.105 1.603) 4.537 10.435 ( 2.212 4.991 -5.712) 7.901 13.419 ( -1.774 3.934 3.273) 5.416 13.850 ( 8.835 6.555 4.533) 11.898 16.770 ( -3.079 -3.938 3.848) 6.308 16.914 ( -3.761 4.167 0.304) 5.622 17.388 ( -0.962 -1.080 -0.271) 1.472 17.793 ( 2.568 -6.816 -12.081) 14.107 ======================= Grid point 341 (71/124) ======================= q-point: ( 0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 2.719 15.818 4.186) 16.587 1.794 ( 4.079 7.144 15.217) 17.298 2.406 ( 1.300 -2.087 0.246) 2.471 2.462 ( -0.463 0.220 2.767) 2.815 2.608 ( -4.577 0.733 5.225) 6.985 2.890 ( 6.156 0.945 0.825) 6.282 2.939 ( 1.951 1.553 8.220) 8.590 3.184 ( 8.400 -1.807 0.014) 8.592 3.600 ( 2.352 -1.393 4.000) 4.845 3.738 ( -3.439 3.591 4.194) 6.505 3.988 ( 0.796 3.737 -4.261) 5.723 4.404 ( -2.252 -3.858 -12.614) 13.382 5.794 ( -2.118 -0.271 -10.324) 10.542 5.957 ( 1.447 -0.359 -9.780) 9.893 6.840 ( 2.764 2.863 -2.621) 4.765 8.602 ( -1.684 -0.842 -2.846) 3.412 9.161 ( -3.515 -0.110 2.365) 4.238 9.433 ( 5.023 -4.467 1.800) 6.958 9.802 ( -1.574 -3.876 8.127) 9.140 10.014 ( -1.789 7.173 -0.327) 7.400 10.511 ( 2.706 1.535 -4.009) 5.075 13.434 ( -1.945 5.250 3.742) 6.734 14.068 ( 9.895 2.602 5.384) 11.561 16.631 ( -5.709 -4.817 8.666) 11.441 16.907 ( -2.802 5.234 -3.211) 6.750 17.362 ( -0.750 -0.833 -0.518) 1.235 17.788 ( 2.882 -5.346 -13.923) 15.190 ======================= Grid point 342 (72/124) ======================= q-point: ( 0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 2.608 11.501 2.552) 12.066 1.941 ( 3.813 5.820 13.822) 15.474 2.399 ( 1.263 -1.811 2.118) 3.059 2.423 ( -1.601 -1.601 2.794) 3.596 2.558 ( -4.906 5.404 2.020) 7.573 2.911 ( -2.190 -2.287 9.517) 10.030 3.015 ( 3.514 0.257 0.761) 3.605 3.261 ( 3.352 -5.783 -3.722) 7.651 3.601 ( 0.167 -1.909 3.716) 4.181 3.741 ( -2.011 4.508 5.502) 7.391 4.043 ( 1.998 2.106 -3.340) 4.425 4.341 ( -0.472 -2.119 -11.033) 11.245 5.760 ( -1.808 0.879 -10.408) 10.601 5.975 ( 1.344 -1.087 -9.889) 10.039 6.896 ( 0.866 1.429 -2.683) 3.161 8.583 ( -0.355 0.279 -3.149) 3.181 9.117 ( -1.579 0.613 2.406) 2.943 9.466 ( 4.437 -5.896 1.761) 7.586 9.741 ( -1.087 -2.582 8.615) 9.059 10.037 ( -4.334 7.833 -1.017) 9.010 10.565 ( 2.876 -0.601 -2.969) 4.177 13.455 ( -2.131 5.790 4.043) 7.376 14.223 ( 6.903 -2.765 5.427) 9.206 16.527 ( -1.171 -1.766 9.051) 9.296 16.912 ( -3.437 6.454 -4.142) 8.404 17.346 ( -0.365 -0.458 -0.623) 0.855 17.765 ( 0.880 -6.108 -13.496) 14.840 ======================= Grid point 343 (73/124) ======================= q-point: (-0.50 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -2.850 7.573 0.673) 8.119 2.011 ( 2.013 -1.507 18.261) 18.434 2.408 ( -0.912 2.541 0.113) 2.702 2.421 ( 1.692 -1.010 2.866) 3.478 2.534 ( -3.812 6.166 0.469) 7.265 2.833 ( -1.845 -3.324 9.129) 9.889 3.008 ( -2.734 -2.416 -0.216) 3.655 3.183 ( -3.945 -7.315 -1.483) 8.442 3.578 ( -1.835 -0.687 2.340) 3.052 3.751 ( -0.299 3.166 6.291) 7.049 4.093 ( 1.719 0.692 -2.712) 3.284 4.349 ( 2.277 -0.729 -11.108) 11.362 5.752 ( -0.549 1.737 -10.393) 10.551 5.980 ( 0.712 -1.499 -10.006) 10.142 6.895 ( -1.758 -0.055 -2.675) 3.201 8.590 ( 0.638 0.604 -3.281) 3.397 9.121 ( 0.556 1.926 2.353) 3.091 9.457 ( 2.118 -7.362 1.839) 7.879 9.729 ( 1.501 -0.034 9.019) 9.143 10.023 ( -5.522 6.703 -1.050) 8.748 10.594 ( 1.635 -1.849 -3.180) 4.026 13.474 ( -2.236 5.218 3.992) 6.940 14.233 ( -0.152 -7.290 4.857) 8.761 16.570 ( 6.589 0.295 9.156) 11.284 16.920 ( -3.747 7.994 -3.580) 9.527 17.340 ( 0.086 -0.200 -0.803) 0.832 17.697 ( -1.251 -5.895 -13.558) 14.837 ======================= Grid point 344 (74/124) ======================= q-point: (-0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -8.816 -1.188 7.377) 11.557 1.953 ( -8.412 -3.209 12.824) 15.669 2.380 ( -0.984 -3.853 1.744) 4.343 2.442 ( -0.376 1.423 1.243) 1.926 2.558 ( -0.105 4.890 2.396) 5.446 2.829 ( 0.705 2.988 7.840) 8.420 2.915 ( -3.274 -1.966 -0.498) 3.851 3.010 ( -6.422 -5.296 3.102) 8.883 3.513 ( -4.781 0.620 2.007) 5.222 3.811 ( 3.516 1.798 5.204) 6.532 4.109 ( 0.341 -1.553 -2.389) 2.870 4.379 ( 1.402 -0.278 -13.333) 13.409 5.775 ( 0.856 1.982 -10.281) 10.505 5.970 ( -0.080 -1.546 -10.022) 10.141 6.838 ( -3.900 -0.902 -2.604) 4.775 8.619 ( 2.058 0.554 -3.167) 3.817 9.172 ( 1.990 3.329 2.201) 4.460 9.405 ( 0.549 -6.639 2.186) 7.011 9.782 ( 3.410 0.881 9.089) 9.748 9.983 ( -5.520 4.810 -0.693) 7.354 10.576 ( -1.146 -2.926 -4.410) 5.415 13.479 ( -2.191 3.349 3.614) 5.392 14.083 ( -7.059 -8.139 4.074) 11.518 16.713 ( 8.285 -2.039 6.230) 10.565 16.959 ( -0.522 7.652 1.638) 7.842 17.348 ( 0.952 0.452 -1.261) 1.643 17.622 ( -1.712 -2.018 -14.621) 14.858 ======================= Grid point 345 (75/124) ======================= q-point: (-0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -14.945 -8.157 7.686) 18.681 1.696 ( -12.266 -4.626 13.358) 18.716 2.275 ( -8.052 -0.839 10.345) 13.136 2.426 ( -2.329 1.207 -1.332) 2.942 2.637 ( 1.241 5.142 3.398) 6.287 2.775 ( -5.421 -6.172 0.114) 8.215 2.812 ( -4.433 1.502 8.130) 9.381 3.059 ( 9.783 4.342 5.417) 11.996 3.457 ( -2.763 3.096 0.856) 4.237 3.877 ( 2.774 -1.122 2.897) 4.165 4.060 ( -1.839 -6.100 -3.099) 7.085 4.397 ( -0.617 2.669 -14.003) 14.268 5.817 ( 1.655 1.614 -10.172) 10.432 5.948 ( -0.699 -1.257 -9.967) 10.070 6.751 ( -4.709 -0.816 -2.519) 5.403 8.681 ( 4.680 0.364 -2.778) 5.455 9.250 ( 2.332 3.864 2.003) 4.937 9.354 ( 0.412 -4.409 2.405) 5.040 9.851 ( 3.023 0.615 8.192) 8.753 9.932 ( -4.467 3.007 0.422) 5.402 10.488 ( -5.083 -3.782 -6.001) 8.726 13.462 ( -1.843 0.174 3.124) 3.631 13.851 ( -10.781 -4.854 3.493) 12.329 16.784 ( 2.297 -0.973 -0.028) 2.495 17.006 ( 0.282 -2.214 5.273) 5.726 17.387 ( 1.970 0.620 -0.164) 2.072 17.655 ( 4.691 6.192 -12.478) 14.699 ======================= Grid point 350 (76/124) ======================= q-point: ( 0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.575 12.809 11.164) 17.001 1.853 ( 1.569 14.583 9.353) 17.396 2.351 ( 1.486 -1.502 1.827) 2.794 2.461 ( 0.203 -0.573 3.430) 3.483 2.663 ( 2.369 -0.674 2.596) 3.578 2.830 ( 0.716 5.981 -0.574) 6.051 2.908 ( 3.539 0.907 8.349) 9.113 3.021 ( 5.159 -3.229 1.471) 6.261 3.546 ( 3.628 1.534 3.101) 5.013 3.816 ( -2.240 -0.211 4.368) 4.914 4.044 ( -2.562 3.526 -2.118) 4.846 4.389 ( -0.645 -3.305 -14.300) 14.691 5.809 ( 0.243 -0.976 -10.213) 10.263 5.943 ( -0.527 0.157 -9.917) 9.932 6.829 ( 2.233 3.753 -2.658) 5.113 8.620 ( -1.492 -1.559 -2.946) 3.652 9.229 ( -2.294 -1.256 1.956) 3.266 9.317 ( 0.965 -2.167 2.357) 3.344 9.794 ( -1.556 -3.458 8.804) 9.585 10.058 ( 4.457 4.984 -0.447) 6.701 10.515 ( -1.084 2.582 -4.599) 5.384 13.513 ( 0.927 4.672 3.338) 5.816 13.976 ( 2.905 5.551 4.980) 8.004 16.674 ( -5.285 -5.428 7.250) 10.486 17.007 ( -0.744 4.674 -1.140) 4.868 17.361 ( -0.306 -1.446 -0.655) 1.617 17.660 ( 3.525 -5.397 -13.949) 15.367 ======================= Grid point 351 (77/124) ======================= q-point: ( 0.30 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 1.141 7.435 14.539) 16.370 2.026 ( -0.569 13.530 5.193) 14.503 2.345 ( 1.504 -2.535 1.444) 3.282 2.437 ( -0.563 0.204 2.598) 2.666 2.699 ( -2.486 6.621 1.233) 7.179 2.905 ( 1.823 0.051 2.768) 3.315 2.951 ( 2.508 -0.981 7.130) 7.621 3.090 ( 6.435 -6.394 -3.525) 9.733 3.582 ( 0.116 -1.031 4.117) 4.246 3.820 ( -0.299 4.435 4.634) 6.421 4.038 ( -0.346 0.774 -0.872) 1.216 4.333 ( -1.395 -2.710 -13.602) 13.939 5.803 ( -1.071 1.160 -10.276) 10.396 5.937 ( 0.754 -1.534 -9.932) 10.078 6.895 ( 1.426 2.358 -2.826) 3.947 8.594 ( -0.618 0.007 -3.144) 3.204 9.170 ( -3.258 0.812 2.335) 4.090 9.328 ( 3.800 -5.125 2.114) 6.721 9.735 ( -1.291 -2.653 8.857) 9.335 10.168 ( 0.149 7.557 -1.138) 7.644 10.514 ( 0.662 -1.318 -3.217) 3.539 13.576 ( -1.669 8.274 3.863) 9.283 14.064 ( 5.450 -2.975 5.443) 8.257 16.541 ( -3.388 -3.804 9.116) 10.442 17.055 ( -2.235 8.936 -4.840) 10.405 17.346 ( -0.224 -0.727 -0.698) 1.032 17.647 ( 2.775 -8.060 -12.743) 15.332 ======================= Grid point 352 (78/124) ======================= q-point: ( 0.40 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 3.247 2.072 16.632) 17.072 2.068 ( -5.444 7.177 4.129) 9.909 2.356 ( 2.894 -2.809 3.134) 5.108 2.489 ( -1.139 8.544 -1.373) 8.728 2.701 ( -5.574 8.012 0.550) 9.776 2.841 ( -3.759 -4.403 6.671) 8.833 2.984 ( 2.098 -3.204 2.566) 4.610 3.107 ( 3.472 -8.044 -2.915) 9.234 3.569 ( 0.625 -1.165 3.620) 3.853 3.839 ( -3.602 4.807 4.654) 7.599 4.056 ( 2.339 -1.105 0.010) 2.587 4.308 ( 0.896 -1.005 -12.972) 13.041 5.796 ( -1.697 2.405 -10.283) 10.696 5.939 ( 1.589 -2.347 -10.016) 10.409 6.921 ( -0.532 0.878 -2.902) 3.079 8.592 ( -0.084 0.474 -3.268) 3.303 9.146 ( -0.986 2.175 2.424) 3.403 9.333 ( 3.216 -6.345 2.166) 7.436 9.706 ( 0.431 -0.984 8.922) 8.987 10.201 ( -5.284 7.703 -1.494) 9.460 10.523 ( 3.072 -3.385 -2.668) 5.293 13.611 ( -4.611 8.922 4.217) 10.892 14.100 ( 5.056 -8.492 5.170) 11.153 16.498 ( 1.470 -1.092 9.274) 9.453 17.096 ( -4.826 10.607 -5.887) 13.056 17.337 ( -0.135 -0.387 -0.729) 0.836 17.605 ( 2.836 -8.902 -11.884) 15.117 ======================= Grid point 354 (79/124) ======================= q-point: (-0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -5.001 -3.681 16.579) 17.704 2.072 ( -4.026 4.556 4.292) 7.442 2.366 ( -1.061 -4.399 2.490) 5.165 2.443 ( -3.002 0.215 0.969) 3.162 2.682 ( -5.379 6.509 0.087) 8.444 2.832 ( 2.712 5.408 4.492) 7.535 2.945 ( -2.361 -4.225 1.395) 5.037 3.049 ( -2.057 -4.061 1.068) 4.676 3.574 ( -0.497 0.187 3.212) 3.256 3.814 ( -2.302 2.483 5.127) 6.144 4.077 ( 1.328 -2.159 -0.316) 2.554 4.335 ( 2.620 -0.411 -13.838) 14.089 5.795 ( -0.788 1.974 -10.237) 10.455 5.943 ( 1.174 -1.740 -10.031) 10.249 6.895 ( -2.789 -0.005 -2.821) 3.967 8.599 ( 0.589 0.140 -3.230) 3.286 9.178 ( 1.272 3.153 2.164) 4.030 9.315 ( 1.905 -5.409 2.393) 6.213 9.731 ( 2.692 0.146 8.987) 9.383 10.150 ( -7.164 4.741 -1.126) 8.664 10.539 ( 1.850 -2.983 -3.350) 4.852 13.590 ( -5.558 4.564 3.894) 8.178 14.068 ( 0.110 -6.651 5.036) 8.343 16.562 ( 6.275 -0.873 8.997) 11.004 17.085 ( -5.715 5.084 -3.997) 8.631 17.338 ( 0.565 0.223 -1.028) 1.194 17.592 ( 2.791 -2.492 -12.883) 13.415 ======================= Grid point 362 (80/124) ======================= q-point: ( 0.30 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.305 1.208 19.023) 19.064 2.179 ( 3.057 3.632 3.417) 5.849 2.297 ( -2.793 -3.147 3.445) 5.438 2.595 ( 3.851 12.451 -2.147) 13.208 2.807 ( 1.890 -0.715 0.106) 2.024 2.869 ( 5.660 -2.718 -0.493) 6.298 2.897 ( -4.392 -0.148 7.098) 8.348 2.988 ( -2.938 -3.565 -0.717) 4.675 3.556 ( -0.613 -1.034 3.683) 3.874 3.912 ( 3.104 4.172 3.755) 6.414 4.018 ( -2.297 -2.424 1.666) 3.732 4.298 ( -0.576 -0.840 -13.877) 13.915 5.837 ( 1.281 1.898 -10.189) 10.443 5.899 ( -1.306 -1.978 -10.080) 10.355 6.930 ( 0.538 0.920 -3.021) 3.204 8.597 ( 0.015 0.116 -3.296) 3.298 9.189 ( 0.194 0.876 2.392) 2.554 9.245 ( -1.090 -2.516 2.480) 3.697 9.697 ( -0.537 -0.981 8.901) 8.971 10.310 ( 3.988 5.951 -1.720) 7.367 10.458 ( -2.828 -3.821 -2.487) 5.365 13.749 ( 4.231 7.716 4.373) 9.827 13.961 ( -3.504 -6.131 5.053) 8.683 16.484 ( -1.138 -1.612 9.374) 9.580 17.248 ( 3.780 8.783 -7.255) 12.003 17.334 ( 0.275 -0.418 -0.866) 1.000 17.477 ( -3.362 -7.770 -10.538) 13.517 ======================= Grid point 436 (81/124) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 0.000 16.637) 16.637 1.308 ( 0.000 0.000 16.637) 16.637 2.283 ( 0.000 0.000 -4.550) 4.550 2.283 ( 0.000 0.000 -4.550) 4.550 2.491 ( 0.000 0.000 21.075) 21.075 2.754 ( 0.000 0.000 5.315) 5.315 3.019 ( 0.000 0.000 3.272) 3.272 3.514 ( 0.000 0.000 -2.939) 2.939 3.514 ( 0.000 -0.000 -2.939) 2.939 3.948 ( 0.000 0.000 -0.183) 0.183 3.948 ( -0.000 -0.000 -0.183) 0.183 3.989 ( 0.000 0.000 -6.662) 6.662 5.716 ( -0.000 0.000 -8.042) 8.042 5.716 ( 0.000 0.000 -8.042) 8.042 6.546 ( 0.000 0.000 -1.914) 1.914 8.984 ( 0.000 0.000 -4.067) 4.067 9.392 ( 0.000 0.000 1.663) 1.663 9.392 ( 0.000 0.000 1.663) 1.663 9.806 ( 0.000 0.000 -0.236) 0.236 9.806 ( 0.000 -0.000 -0.236) 0.236 10.209 ( 0.000 0.000 2.646) 2.646 13.460 ( 0.000 0.000 2.119) 2.119 13.460 ( -0.000 0.000 2.119) 2.119 16.764 ( 0.000 0.000 -1.947) 1.947 16.764 ( 0.000 0.000 -1.947) 1.947 17.422 ( 0.000 0.000 -0.028) 0.028 18.102 ( 0.000 0.000 -1.594) 1.594 ======================= Grid point 437 (82/124) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.131 0.653 16.353) 16.405 1.543 ( 14.092 8.136 14.594) 21.858 2.317 ( 1.987 1.147 -3.485) 4.173 2.346 ( 5.460 3.153 -5.550) 8.400 2.475 ( -1.075 -0.621 18.548) 18.590 2.798 ( 3.668 2.118 5.430) 6.886 2.951 ( -4.341 -2.506 3.952) 6.383 3.525 ( 2.780 1.605 0.091) 3.211 3.592 ( 3.278 1.893 -5.022) 6.289 3.693 ( -12.726 -7.347 -1.884) 14.815 3.894 ( -2.241 -1.294 1.510) 2.996 4.191 ( 6.726 3.883 -6.349) 10.031 5.709 ( -0.907 -0.523 -8.190) 8.256 5.721 ( 0.651 0.376 -7.858) 7.894 6.573 ( 2.235 1.291 -1.933) 3.225 8.874 ( -7.557 -4.363 -2.834) 9.175 9.362 ( -2.251 -1.299 1.711) 3.111 9.404 ( 1.163 0.672 1.340) 1.898 9.823 ( 1.248 0.721 -0.336) 1.480 9.930 ( 8.149 4.705 0.405) 9.419 10.203 ( -0.294 -0.170 1.262) 1.307 13.446 ( -0.407 -0.235 2.624) 2.665 13.558 ( 7.251 4.187 1.755) 8.555 16.775 ( 0.469 0.271 -2.271) 2.335 16.808 ( 3.706 2.140 -1.470) 4.525 17.416 ( -0.494 -0.285 -0.112) 0.582 17.997 ( -8.166 -4.714 -1.711) 9.583 ======================= Grid point 438 (83/124) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 5.041 2.911 13.288) 14.507 1.867 ( 11.311 6.531 15.217) 20.054 2.370 ( 2.355 1.359 -2.236) 3.520 2.413 ( -0.510 -0.294 3.259) 3.312 2.556 ( 8.523 4.921 1.406) 9.942 2.874 ( -1.654 -0.955 4.351) 4.752 2.915 ( 5.806 3.352 5.731) 8.820 3.378 ( -10.970 -6.334 1.420) 12.747 3.632 ( 3.926 2.267 1.822) 4.886 3.662 ( 2.534 1.463 -6.010) 6.685 3.848 ( -1.515 -0.874 2.502) 3.053 4.282 ( 1.172 0.677 -8.208) 8.319 5.675 ( -1.897 -1.095 -8.317) 8.600 5.745 ( 1.319 0.761 -7.685) 7.835 6.646 ( 3.774 2.179 -1.984) 4.788 8.701 ( -6.349 -3.666 -1.841) 7.559 9.295 ( -3.227 -1.863 1.722) 4.105 9.444 ( 2.117 1.222 0.939) 2.619 9.857 ( 1.522 0.879 -0.463) 1.818 10.060 ( 0.845 0.488 5.341) 5.429 10.246 ( 5.241 3.026 -3.668) 7.077 13.442 ( 0.061 0.035 3.118) 3.119 13.779 ( 10.972 6.335 2.105) 12.843 16.784 ( 0.298 0.172 -2.617) 2.640 16.895 ( 2.375 1.371 1.268) 3.021 17.399 ( -0.916 -0.529 -0.244) 1.086 17.772 ( -9.405 -5.430 -4.438) 11.731 ======================= Grid point 439 (84/124) ======================= q-point: ( 0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 6.694 3.865 8.835) 11.739 2.029 ( 3.293 1.901 16.459) 16.893 2.417 ( 0.693 0.400 -1.752) 1.926 2.421 ( 1.867 1.078 -1.056) 2.401 2.743 ( 4.265 2.462 4.950) 6.982 2.854 ( 0.798 0.461 -1.236) 1.542 3.046 ( 4.734 2.733 6.548) 8.530 3.226 ( -1.106 -0.638 0.942) 1.587 3.694 ( -0.140 -0.081 -3.225) 3.229 3.721 ( 3.492 2.016 4.502) 6.044 3.844 ( 1.549 0.894 -0.109) 1.792 4.263 ( -2.232 -1.289 -8.369) 8.757 5.624 ( -2.321 -1.340 -8.414) 8.830 5.778 ( 1.380 0.797 -7.619) 7.783 6.740 ( 3.958 2.285 -2.039) 5.005 8.587 ( -3.408 -1.968 -1.800) 4.327 9.220 ( -3.008 -1.737 1.721) 3.876 9.499 ( 2.431 1.404 0.837) 2.929 9.890 ( 1.194 0.689 -0.608) 1.507 10.016 ( -3.259 -1.882 5.144) 6.374 10.390 ( 5.796 3.346 -2.642) 7.195 13.448 ( 0.497 0.287 3.417) 3.464 14.051 ( 11.608 6.702 3.034) 13.743 16.788 ( 0.011 0.006 -2.855) 2.855 16.870 ( -4.674 -2.699 6.230) 8.243 17.371 ( -1.353 -0.781 -0.303) 1.591 17.620 ( -3.040 -1.755 -9.809) 10.418 ======================= Grid point 440 (85/124) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 6.469 3.735 4.364) 8.651 2.095 ( 3.498 2.019 11.695) 12.373 2.438 ( 1.325 0.765 0.097) 1.533 2.452 ( 0.643 0.371 -0.183) 0.765 2.667 ( -6.264 -3.616 5.637) 9.170 2.980 ( 5.591 3.228 -0.251) 6.460 3.116 ( 0.945 0.546 8.308) 8.379 3.245 ( 0.527 0.304 -3.584) 3.635 3.670 ( -1.471 -0.849 -0.632) 1.812 3.795 ( 2.619 1.512 6.208) 6.906 3.907 ( 3.333 1.924 -2.861) 4.796 4.208 ( -1.789 -1.033 -7.260) 7.548 5.573 ( -1.794 -1.036 -8.455) 8.705 5.806 ( 0.886 0.512 -7.668) 7.736 6.819 ( 2.527 1.459 -2.068) 3.577 8.535 ( -1.175 -0.678 -2.080) 2.483 9.162 ( -1.776 -1.025 1.697) 2.662 9.553 ( 1.998 1.153 0.905) 2.478 9.912 ( 0.589 0.340 -0.708) 0.982 9.933 ( -3.390 -1.957 4.936) 6.300 10.502 ( 3.570 2.061 -1.700) 4.459 13.464 ( 0.758 0.438 3.404) 3.515 14.294 ( 8.203 4.736 3.765) 10.193 16.731 ( -5.258 -3.036 6.983) 9.253 16.785 ( -0.285 -0.164 -2.893) 2.911 17.345 ( -0.790 -0.456 -0.459) 1.021 17.589 ( -0.776 -0.448 -10.777) 10.814 ======================= Grid point 441 (86/124) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 4.567 2.637 1.060) 5.379 2.217 ( 6.702 3.869 7.240) 10.598 2.447 ( -1.087 -0.628 0.190) 1.270 2.487 ( 1.720 0.993 3.936) 4.409 2.512 ( -5.720 -3.303 4.007) 7.725 3.032 ( -1.804 -1.041 0.113) 2.086 3.096 ( -2.163 -1.249 10.137) 10.440 3.222 ( -2.147 -1.240 -3.731) 4.480 3.627 ( -2.350 -1.357 -0.004) 2.714 3.838 ( 1.317 0.761 6.536) 6.711 3.983 ( 2.830 1.634 -3.703) 4.939 4.193 ( 0.306 0.177 -6.933) 6.942 5.547 ( -0.322 -0.186 -8.369) 8.378 5.818 ( 0.131 0.076 -7.777) 7.778 6.850 ( -0.038 -0.022 -2.059) 2.060 8.525 ( 0.257 0.149 -2.348) 2.367 9.141 ( 0.098 0.057 1.641) 1.645 9.578 ( -0.269 -0.155 0.897) 0.949 9.879 ( -0.699 -0.403 5.501) 5.560 9.917 ( -0.102 -0.059 -0.698) 0.708 10.556 ( 1.037 0.599 -1.908) 2.253 13.482 ( 0.746 0.431 3.080) 3.198 14.399 ( 0.105 0.060 3.775) 3.777 16.694 ( 3.048 1.760 5.846) 6.824 16.776 ( -0.470 -0.271 -2.715) 2.768 17.332 ( -0.379 -0.219 -0.436) 0.618 17.549 ( -2.879 -1.662 -9.578) 10.139 ======================= Grid point 443 (87/124) ======================= q-point: (-0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.568 0.328 0.640) 0.916 2.282 ( -7.784 -4.494 8.714) 12.518 2.404 ( -2.354 -1.359 -0.459) 2.757 2.433 ( 6.055 3.496 1.546) 7.161 2.575 ( 3.885 2.243 4.509) 6.361 2.930 ( -5.152 -2.974 -0.100) 5.950 3.034 ( -2.789 -1.610 10.419) 10.906 3.142 ( -4.661 -2.691 0.338) 5.392 3.554 ( -3.753 -2.167 0.762) 4.400 3.877 ( 2.229 1.287 5.235) 5.834 4.034 ( 1.421 0.820 -4.149) 4.462 4.195 ( -0.628 -0.362 -8.119) 8.152 5.560 ( 1.324 0.764 -8.153) 8.295 5.812 ( -0.621 -0.358 -7.882) 7.914 6.818 ( -2.570 -1.484 -2.025) 3.593 8.546 ( 1.528 0.882 -2.454) 3.023 9.166 ( 1.927 1.113 1.571) 2.724 9.539 ( -2.690 -1.553 1.244) 3.346 9.906 ( 2.605 1.504 5.963) 6.679 9.907 ( -0.753 -0.435 -0.569) 1.039 10.546 ( -1.986 -1.147 -2.977) 3.758 13.496 ( 0.444 0.256 2.569) 2.619 14.296 ( -8.338 -4.814 3.105) 10.116 16.764 ( -0.471 -0.272 -2.387) 2.448 16.882 ( 12.288 7.094 5.815) 15.334 17.318 ( -1.290 -0.745 -1.591) 2.180 17.458 ( -4.289 -2.476 -7.858) 9.288 ======================= Grid point 444 (88/124) ======================= q-point: (-0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -4.818 -2.782 4.404) 7.095 2.023 ( -13.114 -7.571 8.129) 17.187 2.349 ( -2.069 -1.194 -2.740) 3.635 2.531 ( -0.049 -0.028 8.121) 8.121 2.665 ( 3.285 1.897 5.111) 6.365 2.838 ( -4.075 -2.353 -3.590) 5.918 2.968 ( -3.009 -1.737 8.740) 9.405 3.078 ( 3.137 1.811 4.371) 5.678 3.465 ( -3.331 -1.923 1.401) 4.093 3.924 ( 0.691 0.399 1.810) 1.978 4.050 ( -0.015 -0.009 -4.014) 4.014 4.164 ( -1.425 -0.823 -8.351) 8.512 5.603 ( 2.206 1.274 -7.944) 8.342 5.790 ( -1.161 -0.670 -7.973) 8.085 6.738 ( -3.940 -2.275 -1.987) 4.965 8.602 ( 3.400 1.963 -2.351) 4.576 9.227 ( 3.063 1.768 1.521) 3.850 9.471 ( -2.758 -1.592 1.655) 3.589 9.883 ( -1.265 -0.730 -0.380) 1.509 9.979 ( 3.204 1.850 6.218) 7.236 10.459 ( -5.431 -3.135 -4.420) 7.672 13.501 ( -0.046 -0.027 2.068) 2.069 14.042 ( -12.365 -7.139 2.438) 14.484 16.755 ( -0.291 -0.168 -2.037) 2.065 17.160 ( 0.608 0.351 6.874) 6.910 17.297 ( 9.014 5.204 -6.603) 12.326 17.401 ( -0.058 -0.034 -3.501) 3.502 ======================= Grid point 445 (89/124) ======================= q-point: (-0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -8.076 -4.663 9.737) 13.483 1.688 ( -14.611 -8.436 11.629) 20.491 2.309 ( -1.423 -0.821 -4.726) 5.004 2.491 ( -1.888 -1.090 13.674) 13.847 2.593 ( -8.732 -5.042 -1.264) 10.162 2.830 ( 4.410 2.546 3.516) 6.188 2.885 ( -4.033 -2.328 6.592) 8.071 3.303 ( 13.304 7.681 2.597) 15.580 3.420 ( -0.299 -0.173 1.075) 1.129 3.859 ( -6.125 -3.536 -4.053) 8.152 4.035 ( -1.167 -0.674 -3.180) 3.454 4.156 ( 0.278 0.161 -5.303) 5.312 5.656 ( 2.107 1.216 -7.861) 8.229 5.760 ( -1.321 -0.763 -8.071) 8.214 6.645 ( -3.731 -2.154 -1.955) 4.730 8.712 ( 6.060 3.499 -2.295) 7.364 9.302 ( 3.184 1.838 1.517) 3.977 9.417 ( -1.740 -1.005 1.815) 2.707 9.850 ( -1.481 -0.855 -0.222) 1.724 10.032 ( 0.383 0.221 5.765) 5.782 10.303 ( -6.995 -4.038 -4.859) 9.426 13.494 ( -0.526 -0.304 1.773) 1.874 13.751 ( -11.571 -6.680 2.254) 13.550 16.751 ( -0.004 -0.002 -1.800) 1.800 17.005 ( -8.103 -4.678 -2.156) 9.602 17.402 ( 0.661 0.382 -0.360) 0.844 17.670 ( 15.958 9.213 -0.795) 18.444 ======================= Grid point 446 (90/124) ======================= q-point: (-0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -9.604 -5.545 15.642) 19.174 1.450 ( -7.618 -4.398 14.101) 16.620 2.283 ( -0.647 -0.374 -5.148) 5.202 2.380 ( -6.937 -4.005 -3.262) 8.649 2.485 ( 0.019 0.011 18.738) 18.738 2.794 ( -3.160 -1.824 5.538) 6.632 2.949 ( 4.912 2.836 3.602) 6.719 3.446 ( 2.268 1.310 -0.645) 2.697 3.619 ( 7.408 4.277 1.187) 8.636 3.696 ( -1.349 -0.779 -5.601) 5.813 3.998 ( -1.920 -1.108 -1.831) 2.875 4.127 ( -3.520 -2.032 -4.730) 6.236 5.697 ( 1.343 0.775 -7.912) 8.062 5.732 ( -1.004 -0.580 -8.123) 8.205 6.573 ( -2.215 -1.279 -1.928) 3.203 8.878 ( 7.252 4.187 -3.009) 8.898 9.367 ( 2.100 1.212 1.573) 2.891 9.392 ( -0.381 -0.220 1.766) 1.820 9.818 ( -1.079 -0.623 -0.173) 1.258 9.935 ( -7.943 -4.586 0.552) 9.188 10.209 ( -0.699 -0.404 0.764) 1.111 13.478 ( -0.791 -0.456 1.794) 2.013 13.530 ( -6.603 -3.812 2.350) 7.979 16.755 ( 0.282 0.163 -1.767) 1.796 16.837 ( -5.566 -3.213 -2.313) 6.830 17.416 ( 0.476 0.275 -0.118) 0.563 17.984 ( 9.765 5.638 -1.181) 11.337 ======================= Grid point 448 (91/124) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -3.207 12.518 13.007) 18.335 1.733 ( 12.406 9.796 13.224) 20.609 2.325 ( 2.818 0.836 -4.008) 4.971 2.473 ( -1.918 1.677 12.603) 12.858 2.498 ( 3.625 8.802 -2.442) 9.828 2.862 ( 0.731 -0.907 5.336) 5.462 2.878 ( 1.423 0.534 5.067) 5.290 3.415 ( -5.306 -14.361 1.572) 15.390 3.485 ( 5.712 -2.340 0.476) 6.191 3.768 ( -0.884 9.267 -5.390) 10.756 3.931 ( -6.250 2.694 0.698) 6.842 4.224 ( 4.650 -0.703 -6.967) 8.406 5.679 ( -0.173 -1.906 -8.015) 8.241 5.743 ( -0.035 1.286 -7.962) 8.065 6.623 ( 2.020 3.438 -1.959) 4.442 8.748 ( -4.304 -6.676 -2.179) 8.237 9.342 ( -1.899 -1.279 1.526) 2.752 9.387 ( 1.270 -1.292 1.507) 2.356 9.857 ( 1.800 2.438 -0.220) 3.038 10.033 ( 2.200 2.335 4.450) 5.486 10.239 ( 0.880 5.187 -3.339) 6.231 13.472 ( -1.271 2.177 2.393) 3.476 13.690 ( 6.715 8.859 2.088) 11.311 16.765 ( 1.144 -0.462 -1.876) 2.245 16.919 ( 0.473 7.373 -1.350) 7.510 17.405 ( -0.464 -0.703 -0.255) 0.880 17.801 ( -4.763 -13.825 -2.039) 14.764 ======================= Grid point 449 (92/124) ======================= q-point: ( 0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.070 14.181 9.368) 16.996 1.984 ( 6.213 5.093 15.222) 17.212 2.374 ( 1.981 0.241 -1.740) 2.648 2.471 ( -1.437 3.907 1.968) 4.604 2.675 ( 6.813 6.602 -0.135) 9.488 2.816 ( 0.614 -4.797 3.349) 5.882 2.997 ( 4.746 4.328 6.487) 9.129 3.205 ( -2.533 -9.327 1.668) 9.808 3.585 ( 6.417 -0.630 1.548) 6.631 3.831 ( -3.396 8.528 -3.894) 9.971 3.867 ( -2.482 1.853 2.305) 3.861 4.248 ( 0.876 -3.673 -8.439) 9.245 5.649 ( -1.440 -1.308 -8.242) 8.468 5.760 ( 0.922 0.543 -7.713) 7.787 6.706 ( 3.111 3.556 -2.022) 5.139 8.624 ( -3.563 -3.483 -1.881) 5.326 9.274 ( -4.167 -0.406 1.650) 4.500 9.416 ( 4.164 -3.230 1.063) 5.376 9.911 ( 0.336 3.529 0.286) 3.557 10.040 ( -0.753 -1.627 5.023) 5.333 10.343 ( 3.595 5.411 -3.786) 7.519 13.482 ( -1.118 3.682 2.961) 4.855 13.921 ( 9.678 7.192 2.684) 12.353 16.776 ( 0.591 -0.681 -1.588) 1.826 16.958 ( -3.957 4.034 2.846) 6.327 17.383 ( -1.081 -1.111 -0.224) 1.566 17.604 ( -1.714 -10.050 -7.242) 12.506 ======================= Grid point 450 (93/124) ======================= q-point: ( 0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.436 14.681 5.653) 15.737 2.080 ( 1.668 3.446 13.740) 14.264 2.404 ( 1.962 -0.711 -0.550) 2.158 2.488 ( -1.452 3.614 -0.039) 3.895 2.720 ( -3.808 -3.539 5.125) 7.300 2.884 ( 8.145 2.558 -0.872) 8.581 3.101 ( 2.385 2.387 7.558) 8.277 3.161 ( 4.570 -5.908 -2.059) 7.748 3.665 ( 1.979 -0.546 1.671) 2.647 3.818 ( -2.184 4.554 3.660) 6.237 3.906 ( 0.789 4.609 -3.106) 5.613 4.203 ( -0.655 -4.074 -7.876) 8.892 5.607 ( -2.250 -0.201 -8.359) 8.659 5.783 ( 1.451 -0.440 -7.652) 7.801 6.793 ( 2.750 2.752 -2.087) 4.415 8.553 ( -1.836 -1.175 -2.036) 2.983 9.202 ( -3.437 -0.161 1.686) 3.832 9.460 ( 4.919 -4.314 0.950) 6.611 9.919 ( -1.378 -0.688 3.631) 3.944 10.017 ( -2.650 4.199 0.888) 5.045 10.450 ( 3.942 2.019 -2.199) 4.945 13.504 ( -1.545 5.112 3.275) 6.265 14.156 ( 10.348 2.939 3.509) 11.315 16.755 ( -1.818 -2.904 2.640) 4.326 16.876 ( -6.628 3.136 1.552) 7.496 17.352 ( -0.802 -1.035 -0.526) 1.411 17.546 ( 2.341 -5.078 -10.568) 11.956 ======================= Grid point 451 (94/124) ======================= q-point: ( 0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -0.771 12.751 2.778) 13.073 2.166 ( 3.881 4.915 8.843) 10.836 2.442 ( 2.903 0.029 2.358) 3.740 2.474 ( -2.341 -0.350 1.750) 2.944 2.614 ( -5.740 0.715 3.345) 6.682 3.002 ( 2.675 -1.715 0.887) 3.299 3.116 ( -0.758 -1.295 6.720) 6.886 3.180 ( 3.261 -4.880 -2.644) 6.437 3.647 ( -1.342 -1.588 0.380) 2.113 3.850 ( -0.298 3.551 5.408) 6.477 3.971 ( 1.572 3.653 -3.478) 5.283 4.168 ( 0.868 -2.661 -6.650) 7.215 5.573 ( -1.868 1.016 -8.346) 8.613 5.799 ( 1.263 -1.182 -7.729) 7.920 6.848 ( 0.924 1.292 -2.121) 2.649 8.529 ( -0.497 0.078 -2.288) 2.343 9.158 ( -1.602 0.609 1.674) 2.396 9.493 ( 4.325 -5.723 0.968) 7.238 9.878 ( -0.881 -1.715 5.359) 5.695 10.018 ( -4.310 7.185 -0.848) 8.422 10.519 ( 2.973 -0.499 -1.693) 3.457 13.528 ( -2.147 5.745 3.242) 6.938 14.316 ( 6.789 -2.870 3.864) 8.322 16.681 ( -1.353 -1.614 6.433) 6.769 16.839 ( -3.322 5.262 -3.152) 6.975 17.335 ( -0.357 -0.512 -0.458) 0.774 17.532 ( 1.058 -4.932 -9.902) 11.113 ======================= Grid point 452 (95/124) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -2.600 8.998 0.866) 9.406 2.290 ( 2.912 0.866 9.730) 10.193 2.407 ( -1.555 0.093 0.037) 1.558 2.494 ( -1.681 0.652 4.384) 4.740 2.545 ( -1.695 4.009 0.636) 4.399 2.936 ( -2.080 -6.907 1.886) 7.456 3.076 ( -2.307 -2.305 5.242) 6.174 3.162 ( -1.182 -2.997 1.099) 3.404 3.607 ( -2.267 -0.235 0.378) 2.310 3.870 ( -0.069 2.042 5.675) 6.032 4.027 ( 1.208 2.374 -3.912) 4.733 4.168 ( 1.466 -2.759 -7.244) 7.889 5.566 ( -0.510 1.925 -8.201) 8.440 5.802 ( 0.649 -1.552 -7.835) 8.013 6.848 ( -1.643 -0.169 -2.101) 2.672 8.533 ( 0.611 0.564 -2.446) 2.583 9.161 ( 0.475 1.847 1.592) 2.484 9.486 ( 2.205 -6.875 1.163) 7.313 9.875 ( 1.673 0.058 5.802) 6.038 10.005 ( -5.153 6.614 -0.754) 8.418 10.540 ( 0.784 -2.130 -2.295) 3.228 13.542 ( -2.584 5.144 2.890) 6.441 14.317 ( -0.826 -7.426 3.576) 8.284 16.710 ( 4.418 -0.216 4.583) 6.370 16.865 ( -0.075 8.273 -1.772) 8.461 17.324 ( -0.425 -0.676 -0.769) 1.108 17.475 ( -1.499 -5.076 -8.640) 10.133 ======================= Grid point 453 (96/124) ======================= q-point: (-0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -6.817 3.124 2.334) 7.854 2.163 ( -9.822 -5.835 8.133) 14.024 2.407 ( -3.874 -0.635 0.330) 3.940 2.495 ( 3.101 2.396 3.512) 5.262 2.622 ( 3.755 2.800 4.144) 6.254 2.870 ( -1.535 -1.346 -1.160) 2.348 2.995 ( -1.283 -3.205 5.423) 6.429 3.085 ( -4.117 -1.225 5.349) 6.860 3.549 ( -5.049 1.637 1.559) 5.532 3.903 ( 1.724 0.788 3.986) 4.414 4.055 ( -0.433 0.491 -3.135) 3.203 4.152 ( 0.845 -2.938 -9.614) 10.088 5.592 ( 0.939 2.103 -8.020) 8.344 5.791 ( -0.106 -1.520 -7.908) 8.053 6.792 ( -3.785 -0.963 -2.048) 4.410 8.564 ( 2.209 0.705 -2.395) 3.334 9.209 ( 1.957 3.071 1.459) 3.923 9.441 ( 0.704 -6.286 1.529) 6.508 9.924 ( 2.231 0.769 4.880) 5.421 9.977 ( -3.895 4.973 0.691) 6.355 10.498 ( -2.540 -3.287 -3.506) 5.436 13.539 ( -2.629 3.214 2.414) 4.803 14.153 ( -8.002 -7.788 2.998) 11.562 16.755 ( 0.874 -0.200 -0.445) 1.001 17.051 ( 9.910 6.519 5.869) 13.234 17.291 ( -1.823 -0.989 -5.814) 6.173 17.407 ( -1.036 -1.504 -5.481) 5.777 ======================= Grid point 454 (97/124) ======================= q-point: (-0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -11.354 -7.995 7.097) 15.595 1.932 ( -11.994 0.592 10.830) 16.171 2.353 ( -2.639 0.798 -2.946) 4.035 2.508 ( -1.295 -1.041 8.861) 9.015 2.680 ( -4.535 -1.271 -0.249) 4.716 2.782 ( 0.859 -1.061 2.033) 2.450 2.966 ( -5.450 1.070 7.271) 9.150 3.137 ( 10.883 3.663 2.643) 11.783 3.485 ( -4.364 3.462 1.905) 5.887 3.906 ( -2.094 -2.012 -0.780) 3.007 3.997 ( -1.411 -6.138 -2.509) 6.780 4.179 ( 1.504 3.139 -8.023) 8.745 5.636 ( 1.725 1.577 -7.943) 8.280 5.769 ( -0.761 -1.150 -7.954) 8.072 6.705 ( -4.628 -0.839 -1.997) 5.110 8.632 ( 4.844 0.665 -2.176) 5.352 9.284 ( 2.429 3.429 1.333) 4.408 9.395 ( 0.469 -4.239 1.756) 4.612 9.910 ( -3.819 1.770 0.060) 4.209 10.014 ( 2.297 1.667 5.840) 6.493 10.384 ( -6.173 -3.692 -4.675) 8.578 13.515 ( -2.148 0.259 2.145) 3.047 13.910 ( -11.635 -4.151 2.537) 12.611 16.760 ( -0.255 0.623 -1.570) 1.708 17.078 ( -4.850 -5.882 1.029) 7.693 17.386 ( 2.129 0.324 0.038) 2.153 17.480 ( 12.865 7.941 -4.974) 15.915 ======================= Grid point 459 (98/124) ======================= q-point: ( 0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.576 16.205 4.429) 16.810 2.093 ( 2.518 6.232 12.144) 13.880 2.376 ( -0.305 0.033 0.760) 0.819 2.532 ( 0.580 1.099 2.500) 2.792 2.705 ( 2.509 -4.621 1.760) 5.545 2.820 ( 1.373 7.068 -0.003) 7.200 3.016 ( 2.050 -7.964 0.770) 8.260 3.086 ( 2.677 3.271 6.866) 8.063 3.605 ( 4.816 1.697 2.625) 5.742 3.896 ( -1.576 0.867 3.687) 4.102 3.985 ( -3.366 6.133 -4.265) 8.194 4.157 ( 0.359 -4.518 -8.830) 9.925 5.625 ( 0.097 -0.919 -8.097) 8.150 5.766 ( -0.375 0.048 -7.797) 7.807 6.782 ( 2.145 3.634 -2.091) 4.710 8.568 ( -1.462 -1.922 -2.205) 3.270 9.262 ( -1.734 -1.519 1.357) 2.675 9.355 ( 0.277 -1.685 1.552) 2.308 9.930 ( -1.417 -2.162 4.996) 5.626 10.055 ( 3.709 3.531 0.332) 5.132 10.437 ( 0.044 3.510 -3.286) 4.809 13.574 ( 1.358 4.813 2.689) 5.678 14.058 ( 3.742 5.904 3.302) 7.731 16.755 ( -0.891 -1.675 1.144) 2.215 17.031 ( -6.352 2.328 3.458) 7.597 17.340 ( 0.722 -3.599 -2.308) 4.336 17.429 ( 2.849 -4.937 -8.628) 10.340 ======================= Grid point 460 (99/124) ======================= q-point: ( 0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -2.157 15.654 4.580) 16.452 2.180 ( 1.322 6.496 9.316) 11.434 2.385 ( 2.277 -0.505 2.439) 3.374 2.506 ( -2.112 -2.407 3.954) 5.088 2.716 ( -1.612 4.233 0.215) 4.535 2.923 ( 4.067 0.330 0.565) 4.119 3.001 ( 5.589 -8.619 -4.442) 11.192 3.132 ( 0.076 0.461 8.866) 8.878 3.641 ( -0.274 -2.125 1.315) 2.514 3.906 ( -0.329 4.149 4.087) 5.833 3.997 ( -0.670 3.678 -4.001) 5.476 4.121 ( 0.554 -3.549 -6.804) 7.694 5.618 ( -1.177 1.298 -8.182) 8.368 5.760 ( 0.783 -1.676 -7.747) 7.965 6.845 ( 1.398 2.183 -2.199) 3.399 8.540 ( -0.664 -0.252 -2.354) 2.458 9.209 ( -3.010 0.775 1.619) 3.505 9.362 ( 3.460 -4.673 1.333) 5.965 9.877 ( -1.339 -2.338 5.629) 6.240 10.146 ( -0.318 7.072 -1.021) 7.153 10.463 ( 1.520 -0.862 -2.003) 2.658 13.646 ( -1.286 8.430 3.120) 9.080 14.156 ( 5.566 -3.031 3.764) 7.371 16.692 ( -2.348 -2.927 5.873) 6.969 16.979 ( -4.366 6.555 -2.487) 8.259 17.331 ( 0.395 -1.066 -1.068) 1.560 17.427 ( 2.919 -6.291 -9.243) 11.555 ======================= Grid point 461 (100/124) ======================= q-point: ( 0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -4.683 11.460 3.908) 12.982 2.268 ( 1.071 2.770 10.445) 10.859 2.430 ( 2.603 -1.427 3.922) 4.919 2.470 ( -0.813 3.565 0.130) 3.659 2.707 ( -6.177 6.512 -0.212) 8.978 2.885 ( -1.092 -8.862 -0.078) 8.930 3.031 ( 3.071 -5.054 -2.493) 6.418 3.135 ( 1.455 -1.042 8.654) 8.837 3.611 ( 0.216 -1.551 0.030) 1.567 3.927 ( -2.381 3.672 4.041) 5.957 4.033 ( 0.987 2.130 -3.648) 4.338 4.106 ( 1.485 -3.209 -5.686) 6.696 5.611 ( -1.728 2.588 -8.121) 8.697 5.760 ( 1.561 -2.454 -7.820) 8.344 6.869 ( -0.434 0.720 -2.243) 2.395 8.535 ( -0.090 0.357 -2.484) 2.511 9.186 ( -1.077 2.153 1.647) 2.917 9.368 ( 3.127 -5.877 1.395) 6.802 9.851 ( 0.500 -0.925 5.744) 5.839 10.174 ( -4.960 7.467 -1.180) 9.042 10.479 ( 2.712 -3.296 -1.790) 4.628 13.685 ( -4.776 9.081 3.189) 10.745 14.189 ( 4.941 -8.710 3.757) 10.696 16.657 ( 1.066 -0.847 6.659) 6.797 16.991 ( -3.565 8.965 -4.581) 10.680 17.324 ( -0.397 -0.711 -0.631) 1.030 17.402 ( 2.451 -7.158 -8.396) 11.302 ======================= Grid point 463 (101/124) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -7.974 5.142 2.604) 9.839 2.239 ( -3.916 -3.435 10.048) 11.318 2.422 ( -4.262 -4.081 2.816) 6.539 2.493 ( 3.551 1.374 4.312) 5.752 2.664 ( -4.219 6.970 -2.130) 8.422 2.857 ( 2.978 1.497 0.111) 3.335 2.975 ( -2.065 -5.860 0.083) 6.214 3.137 ( -1.243 -0.293 7.549) 7.656 3.619 ( -0.035 1.134 0.941) 1.474 3.910 ( -1.884 1.512 4.480) 5.090 4.065 ( -0.182 -0.390 -1.067) 1.151 4.094 ( 1.763 -2.409 -10.225) 10.652 5.612 ( -0.790 2.037 -8.045) 8.336 5.764 ( 1.198 -1.706 -7.859) 8.131 6.845 ( -2.613 -0.083 -2.187) 3.409 8.543 ( 0.723 0.206 -2.453) 2.566 9.214 ( 1.039 2.914 1.445) 3.415 9.354 ( 1.934 -5.032 1.601) 5.624 9.876 ( 2.697 0.051 5.766) 6.365 10.132 ( -6.539 4.725 -0.727) 8.100 10.481 ( 0.779 -3.002 -2.498) 3.982 13.658 ( -6.057 4.512 2.870) 8.079 14.153 ( -0.210 -6.309 3.622) 7.278 16.702 ( 3.904 -0.437 4.970) 6.335 17.029 ( -0.496 4.718 -1.530) 4.984 17.302 ( -0.449 -0.624 -3.796) 3.873 17.389 ( 1.528 -1.947 -6.278) 6.748 ======================= Grid point 471 (102/124) ======================= q-point: ( 0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.621 6.234 10.118) 11.900 2.266 ( 4.953 0.455 6.849) 8.464 2.391 ( -3.818 -3.127 6.161) 7.893 2.545 ( 3.040 9.922 -2.790) 10.746 2.784 ( -0.417 -8.994 -4.136) 9.909 2.824 ( 3.697 4.661 -0.569) 5.977 2.940 ( -1.837 -1.087 -1.031) 2.371 3.116 ( -1.230 -1.530 10.242) 10.428 3.595 ( -0.741 -1.565 -0.461) 1.792 3.981 ( 2.252 2.887 3.188) 4.854 4.041 ( -1.879 0.378 -0.884) 2.111 4.066 ( 0.163 -1.637 -7.581) 7.757 5.655 ( 1.290 2.005 -8.008) 8.355 5.719 ( -1.312 -2.086 -7.876) 8.252 6.877 ( 0.483 0.828 -2.313) 2.504 8.539 ( -0.014 0.030 -2.543) 2.543 9.229 ( 0.390 0.984 1.607) 1.924 9.286 ( -1.194 -2.423 1.636) 3.158 9.841 ( -0.559 -0.981 5.748) 5.858 10.280 ( 3.627 5.545 -1.278) 6.748 10.416 ( -2.397 -3.343 -1.743) 4.467 13.826 ( 4.478 8.149 3.291) 9.864 14.048 ( -3.616 -6.477 3.671) 8.276 16.646 ( -0.910 -1.330 6.887) 7.073 17.121 ( 2.311 6.346 -5.337) 8.608 17.285 ( -0.620 -4.637 -7.064) 8.472 17.328 ( -1.321 -1.456 -1.442) 2.439 ======================= Grid point 545 (103/124) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.000 0.000 8.800) 8.800 1.573 ( 0.000 -0.000 8.800) 8.800 2.184 ( 0.000 0.000 -4.320) 4.320 2.184 ( -0.000 0.000 -4.320) 4.320 2.778 ( 0.000 0.000 7.477) 7.477 2.827 ( 0.000 0.000 1.969) 1.969 3.084 ( 0.000 0.000 2.894) 2.894 3.475 ( 0.000 0.000 -0.982) 0.982 3.475 ( 0.000 -0.000 -0.982) 0.982 3.871 ( 0.000 0.000 -4.214) 4.214 3.945 ( 0.000 0.000 -0.096) 0.096 3.945 ( 0.000 0.000 -0.096) 0.096 5.604 ( 0.000 -0.000 -3.096) 3.096 5.604 ( 0.000 0.000 -3.096) 3.096 6.519 ( 0.000 -0.000 -0.733) 0.733 8.930 ( 0.000 0.000 -1.450) 1.450 9.414 ( 0.000 0.000 0.588) 0.588 9.414 ( 0.000 0.000 0.588) 0.588 9.803 ( 0.000 0.000 -0.084) 0.084 9.803 ( -0.000 0.000 -0.084) 0.084 10.244 ( 0.000 0.000 0.908) 0.908 13.489 ( 0.000 -0.000 0.794) 0.794 13.489 ( 0.000 0.000 0.794) 0.794 16.737 ( 0.000 -0.000 -0.732) 0.732 16.737 ( 0.000 0.000 -0.732) 0.732 17.422 ( 0.000 0.000 0.006) 0.006 18.079 ( 0.000 0.000 -0.609) 0.609 ======================= Grid point 546 (104/124) ======================= q-point: ( 0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.801 0.462 11.545) 11.582 1.753 ( 12.075 6.972 4.576) 14.675 2.229 ( 2.762 1.595 -4.844) 5.800 2.243 ( 5.360 3.095 -2.870) 6.823 2.724 ( -4.011 -2.316 6.497) 7.978 2.873 ( 3.776 2.180 1.995) 4.795 3.029 ( -3.632 -2.097 3.243) 5.302 3.506 ( 1.498 0.865 -3.590) 3.985 3.540 ( 5.063 2.923 1.634) 6.071 3.644 ( -11.577 -6.684 -2.410) 13.584 3.926 ( -0.838 -0.484 1.729) 1.981 4.095 ( 5.084 2.935 -3.273) 6.721 5.593 ( -1.052 -0.607 -3.319) 3.534 5.613 ( 0.815 0.470 -2.873) 3.023 6.546 ( 2.211 1.276 -0.743) 2.658 8.835 ( -6.671 -3.852 -1.048) 7.774 9.386 ( -2.220 -1.281 0.662) 2.647 9.421 ( 0.792 0.457 0.341) 0.976 9.818 ( 1.166 0.673 -0.182) 1.359 9.932 ( 9.215 5.320 0.067) 10.640 10.224 ( -1.640 -0.947 0.687) 2.015 13.486 ( 0.070 0.040 1.433) 1.435 13.578 ( 7.028 4.058 0.224) 8.119 16.741 ( 0.154 0.089 -1.141) 1.155 16.790 ( 4.382 2.530 -0.265) 5.067 17.415 ( -0.583 -0.337 -0.023) 0.674 17.973 ( -8.579 -4.953 -0.681) 9.929 ======================= Grid point 547 (105/124) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.727 1.575 11.561) 11.982 2.063 ( 12.509 7.222 1.161) 14.491 2.305 ( 3.480 2.009 -4.142) 5.771 2.382 ( 4.181 2.414 1.437) 5.037 2.652 ( 0.118 0.068 3.902) 3.904 2.942 ( -3.645 -2.104 1.897) 4.616 2.993 ( 6.042 3.488 1.948) 7.243 3.369 ( -9.976 -5.759 -1.787) 11.657 3.546 ( 1.827 1.055 -5.479) 5.871 3.687 ( 5.998 3.463 3.668) 7.837 3.906 ( -0.836 -0.483 3.253) 3.393 4.158 ( 0.504 0.291 -4.451) 4.489 5.556 ( -1.996 -1.152 -3.483) 4.176 5.640 ( 1.392 0.804 -2.753) 3.188 6.618 ( 3.733 2.155 -0.772) 4.380 8.676 ( -6.065 -3.502 -0.620) 7.031 9.319 ( -3.218 -1.858 0.694) 3.781 9.453 ( 1.901 1.097 -0.001) 2.195 9.850 ( 1.435 0.829 -0.257) 1.677 10.147 ( 3.227 1.863 3.873) 5.374 10.185 ( 3.262 1.883 -2.889) 4.746 13.492 ( 0.372 0.215 1.898) 1.946 13.801 ( 11.383 6.572 0.175) 13.145 16.744 ( 0.074 0.043 -1.452) 1.454 16.916 ( 5.384 3.108 1.296) 6.350 17.396 ( -0.947 -0.547 -0.074) 1.096 17.711 ( -12.600 -7.274 -2.174) 14.710 ======================= Grid point 548 (106/124) ======================= q-point: ( 0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 3.265 1.885 9.140) 9.887 2.288 ( 6.060 3.499 2.859) 7.559 2.377 ( -2.374 -1.371 4.850) 5.571 2.383 ( 2.994 1.728 -2.739) 4.410 2.779 ( 8.178 4.722 -1.357) 9.540 2.850 ( -4.257 -2.458 0.516) 4.943 3.136 ( 5.590 3.227 2.070) 6.778 3.213 ( -3.002 -1.733 -2.071) 4.038 3.588 ( 1.593 0.920 -5.830) 6.114 3.815 ( 4.771 2.754 5.056) 7.477 3.892 ( -0.204 -0.118 3.703) 3.711 4.137 ( -1.810 -1.045 -4.688) 5.133 5.503 ( -2.356 -1.360 -3.546) 4.469 5.674 ( 1.354 0.782 -2.775) 3.185 6.711 ( 3.929 2.268 -0.804) 4.608 8.563 ( -3.503 -2.022 -0.529) 4.079 9.244 ( -3.021 -1.744 0.692) 3.556 9.506 ( 2.451 1.415 -0.090) 2.832 9.881 ( 1.124 0.649 -0.306) 1.334 10.081 ( -3.786 -2.186 1.402) 4.591 10.363 ( 6.784 3.917 -0.076) 7.834 13.503 ( 0.524 0.303 2.011) 2.100 14.087 ( 12.259 7.077 0.649) 14.170 16.744 ( -0.037 -0.022 -1.546) 1.546 16.980 ( -1.714 -0.990 5.519) 5.863 17.366 ( -1.849 -1.068 -0.264) 2.152 17.464 ( -5.857 -3.381 -6.501) 9.381 ======================= Grid point 549 (107/124) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 2.849 1.645 5.139) 6.102 2.293 ( -1.728 -0.998 8.531) 8.761 2.429 ( 4.539 2.621 -1.208) 5.379 2.438 ( 1.530 0.884 -1.225) 2.150 2.721 ( -5.895 -3.404 -0.377) 6.817 2.970 ( 6.449 3.723 -0.740) 7.484 3.184 ( -0.735 -0.424 -2.382) 2.529 3.237 ( 2.723 1.572 3.229) 4.507 3.611 ( 0.241 0.139 -4.152) 4.162 3.903 ( 1.132 0.653 1.864) 2.277 3.908 ( 2.978 1.719 5.239) 6.266 4.095 ( -1.346 -0.777 -4.375) 4.643 5.453 ( -1.724 -0.995 -3.469) 3.999 5.700 ( 0.810 0.468 -2.867) 3.016 6.790 ( 2.527 1.459 -0.811) 3.029 8.507 ( -1.384 -0.799 -0.658) 1.729 9.185 ( -1.819 -1.050 0.652) 2.199 9.562 ( 2.084 1.203 0.050) 2.407 9.902 ( 0.579 0.334 -0.308) 0.736 9.995 ( -3.180 -1.836 1.403) 3.931 10.485 ( 3.579 2.066 0.005) 4.133 13.515 ( 0.487 0.281 1.727) 1.816 14.342 ( 8.577 4.952 1.164) 9.972 16.742 ( -0.135 -0.078 -1.383) 1.391 16.845 ( -6.869 -3.966 4.898) 9.322 17.335 ( -0.506 -0.292 -0.809) 0.998 17.427 ( 0.379 0.219 -5.605) 5.622 ======================= Grid point 550 (108/124) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 1.835 1.059 0.698) 2.230 2.301 ( 2.722 1.572 1.957) 3.703 2.450 ( -0.560 -0.323 0.094) 0.653 2.537 ( 2.699 1.558 1.365) 3.402 2.576 ( -4.541 -2.622 1.712) 5.516 3.044 ( -1.060 -0.612 0.783) 1.453 3.165 ( -0.286 -0.165 -1.766) 1.797 3.258 ( -0.854 -0.493 5.400) 5.489 3.601 ( -0.995 -0.575 -1.864) 2.189 3.934 ( 1.279 0.738 -1.180) 1.890 3.951 ( 0.800 0.462 4.813) 4.901 4.079 ( -0.215 -0.124 -4.724) 4.730 5.430 ( -0.127 -0.073 -3.233) 3.236 5.710 ( 0.043 0.025 -2.970) 2.970 6.821 ( -0.014 -0.008 -0.788) 0.788 8.493 ( 0.086 0.049 -0.873) 0.878 9.163 ( 0.035 0.020 0.577) 0.579 9.589 ( -0.111 -0.064 0.259) 0.289 9.908 ( -0.035 -0.020 -0.250) 0.254 9.951 ( -0.211 -0.122 1.854) 1.870 10.532 ( 0.366 0.212 -0.636) 0.764 13.524 ( 0.278 0.161 1.150) 1.194 14.450 ( -0.034 -0.020 1.379) 1.380 16.738 ( -0.178 -0.103 -1.022) 1.043 16.766 ( 1.382 0.798 1.717) 2.344 17.328 ( -0.275 -0.159 -0.043) 0.321 17.424 ( -1.132 -0.654 -3.229) 3.483 ======================= Grid point 552 (109/124) ======================= q-point: (-0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.228 0.132 -2.800) 2.813 2.386 ( -7.201 -4.158 2.937) 8.819 2.412 ( -2.638 -1.523 1.156) 3.258 2.419 ( 5.536 3.196 -3.523) 7.299 2.667 ( 4.904 2.831 4.430) 7.189 2.949 ( -5.906 -3.410 1.466) 6.975 3.153 ( -1.150 -0.664 0.940) 1.627 3.206 ( -3.318 -1.916 6.262) 7.341 3.563 ( -2.307 -1.332 0.667) 2.747 3.957 ( -0.386 -0.223 1.983) 2.032 3.958 ( 0.710 0.410 -3.506) 3.601 4.072 ( -0.349 -0.201 -3.701) 3.723 5.448 ( 1.542 0.890 -2.937) 3.434 5.702 ( -0.714 -0.413 -3.082) 3.190 6.790 ( -2.542 -1.468 -0.755) 3.031 8.511 ( 1.498 0.865 -1.027) 2.012 9.186 ( 1.872 1.081 0.499) 2.218 9.556 ( -2.321 -1.340 0.599) 2.747 9.900 ( -0.635 -0.367 -0.150) 0.748 9.987 ( 2.901 1.675 2.305) 4.067 10.501 ( -3.000 -1.732 -1.617) 3.823 13.527 ( -0.039 -0.022 0.503) 0.505 14.340 ( -8.719 -5.034 1.304) 10.151 16.734 ( -0.151 -0.087 -0.604) 0.629 16.917 ( 10.585 6.112 -1.873) 12.366 17.306 ( -2.217 -1.280 1.186) 2.822 17.383 ( -1.350 -0.780 -0.708) 1.713 ======================= Grid point 553 (110/124) ======================= q-point: (-0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -1.909 -1.102 -3.744) 4.345 2.178 ( -9.794 -5.654 7.857) 13.770 2.334 ( -3.735 -2.156 1.452) 4.550 2.560 ( 4.293 2.478 -6.515) 8.187 2.734 ( -3.587 -2.071 2.557) 4.868 2.828 ( 0.253 0.146 2.546) 2.563 3.108 ( -4.924 -2.843 4.883) 7.495 3.155 ( 3.135 1.810 3.591) 5.099 3.502 ( -2.468 -1.425 2.831) 4.016 3.907 ( -4.205 -2.428 -3.724) 6.119 3.969 ( 0.292 0.168 -4.157) 4.171 4.084 ( 1.416 0.818 0.217) 1.649 5.495 ( 2.315 1.337 -2.751) 3.836 5.678 ( -1.264 -0.730 -3.215) 3.531 6.711 ( -3.922 -2.265 -0.739) 4.589 8.568 ( 3.492 2.016 -1.030) 4.162 9.246 ( 3.040 1.755 0.452) 3.539 9.496 ( -2.550 -1.472 0.906) 3.080 9.879 ( -1.148 -0.663 -0.049) 1.327 10.068 ( 3.582 2.068 2.743) 4.963 10.389 ( -6.492 -3.748 -2.648) 7.950 13.522 ( -0.356 -0.206 0.037) 0.413 14.079 ( -12.525 -7.232 1.268) 14.519 16.732 ( -0.068 -0.039 -0.293) 0.304 17.101 ( -2.240 -1.293 -7.154) 7.608 17.329 ( 10.673 6.162 5.222) 13.385 17.381 ( 1.163 0.671 0.585) 1.464 ======================= Grid point 554 (111/124) ======================= q-point: (-0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -3.804 -2.196 -1.065) 4.520 1.922 ( -11.687 -6.748 11.618) 17.807 2.249 ( -3.220 -1.859 0.046) 3.719 2.501 ( -9.530 -5.502 -6.888) 12.982 2.663 ( 1.951 1.126 3.136) 3.861 2.919 ( 4.727 2.729 4.297) 6.946 2.982 ( -5.437 -3.139 3.031) 6.971 3.335 ( 11.262 6.502 1.338) 13.073 3.460 ( -0.962 -0.555 3.201) 3.388 3.769 ( -7.146 -4.126 -4.648) 9.470 3.971 ( -0.182 -0.105 -3.372) 3.379 4.112 ( 0.262 0.151 0.247) 0.390 5.549 ( 2.079 1.200 -2.742) 3.645 5.646 ( -1.387 -0.801 -3.319) 3.686 6.618 ( -3.718 -2.147 -0.737) 4.356 8.680 ( 5.967 3.445 -0.975) 6.958 9.322 ( 3.203 1.849 0.450) 3.726 9.444 ( -1.760 -1.016 0.953) 2.245 9.848 ( -1.421 -0.820 0.012) 1.641 10.123 ( -1.639 -0.946 3.715) 4.169 10.220 ( -5.063 -2.923 -3.814) 6.981 13.511 ( -0.545 -0.315 -0.069) 0.633 13.788 ( -11.513 -6.647 1.377) 13.365 16.731 ( 0.038 0.022 -0.208) 0.213 16.953 ( -7.404 -4.275 -2.584) 8.931 17.397 ( 0.879 0.508 -0.140) 1.025 17.679 ( 14.837 8.566 1.202) 17.174 ======================= Grid point 555 (112/124) ======================= q-point: (-0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -3.986 -2.301 3.995) 6.095 1.665 ( -8.829 -5.097 11.744) 15.552 2.192 ( -1.465 -0.846 -2.446) 2.975 2.286 ( -7.439 -4.295 -5.460) 10.178 2.732 ( 3.228 1.864 5.865) 6.949 2.871 ( -3.597 -2.077 2.141) 4.673 3.026 ( 4.100 2.367 3.526) 5.903 3.455 ( 0.439 0.253 1.587) 1.665 3.591 ( -7.190 -4.151 -3.473) 9.000 3.629 ( 12.624 7.289 -0.862) 14.603 3.961 ( -0.586 -0.338 -1.881) 1.999 4.071 ( -4.076 -2.353 -0.898) 4.791 5.588 ( 1.219 0.704 -2.879) 3.205 5.617 ( -0.949 -0.548 -3.286) 3.464 6.546 ( -2.203 -1.272 -0.736) 2.649 8.836 ( 6.583 3.800 -1.151) 7.688 9.388 ( 2.167 1.251 0.497) 2.551 9.417 ( -0.529 -0.305 0.758) 0.973 9.816 ( -1.108 -0.640 0.000) 1.280 9.935 ( -9.322 -5.382 -0.217) 10.766 10.225 ( 1.464 0.845 0.545) 1.776 13.498 ( -0.516 -0.298 0.221) 0.635 13.567 ( -6.730 -3.885 1.299) 7.879 16.733 ( 0.129 0.075 -0.377) 0.405 16.800 ( -5.008 -2.891 -1.299) 5.927 17.415 ( 0.579 0.334 -0.026) 0.669 17.970 ( 9.062 5.232 -0.283) 10.467 ======================= Grid point 557 (113/124) ======================= q-point: ( 0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -1.978 7.368 8.586) 11.486 1.920 ( 11.412 8.850 4.297) 15.067 2.255 ( 3.907 2.486 -1.102) 4.760 2.398 ( 1.372 9.718 -4.938) 10.986 2.665 ( -2.450 -2.724 4.661) 5.929 2.949 ( 1.060 0.929 2.855) 3.184 2.960 ( 0.535 -0.155 2.859) 2.913 3.411 ( -5.669 -12.328 -1.012) 13.606 3.503 ( 3.553 -0.273 0.956) 3.690 3.688 ( 1.093 8.161 -2.401) 8.576 3.944 ( -2.064 1.437 0.499) 2.564 4.129 ( 1.975 -0.183 -2.718) 3.364 5.568 ( -0.614 -1.695 -3.074) 3.563 5.631 ( 0.372 1.169 -3.080) 3.315 6.595 ( 1.987 3.420 -0.751) 4.025 8.718 ( -3.873 -6.478 -0.843) 7.594 9.363 ( -1.370 -1.709 0.545) 2.257 9.407 ( 0.245 -0.731 0.524) 0.932 9.854 ( 1.633 2.575 -0.085) 3.050 10.092 ( 4.889 8.022 1.563) 9.524 10.195 ( -1.233 -0.878 -1.168) 1.911 13.506 ( -0.054 1.557 0.932) 1.816 13.717 ( 6.156 9.450 0.714) 11.301 16.738 ( 0.521 -0.095 -0.715) 0.889 16.894 ( 2.728 7.029 -0.810) 7.583 17.402 ( -0.503 -0.848 -0.081) 0.989 17.779 ( -6.828 -13.553 -0.447) 15.183 ======================= Grid point 558 (114/124) ======================= q-point: ( 0.20 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -0.386 9.174 8.381) 12.432 2.185 ( 9.610 4.742 1.375) 10.804 2.346 ( 2.574 2.235 1.548) 3.744 2.459 ( -3.373 4.091 -0.548) 5.331 2.687 ( 5.895 3.476 0.451) 6.858 2.873 ( -2.264 -4.250 1.654) 5.091 3.088 ( 4.738 5.440 2.390) 7.600 3.203 ( -3.489 -9.541 -1.423) 10.259 3.584 ( 2.921 2.892 -2.069) 4.602 3.787 ( 2.141 5.476 0.733) 5.925 3.924 ( -2.057 1.891 3.000) 4.099 4.126 ( 0.188 -3.372 -4.259) 5.435 5.532 ( -1.763 -1.117 -3.355) 3.951 5.654 ( 1.142 0.438 -2.854) 3.105 6.678 ( 3.067 3.528 -0.785) 4.740 8.598 ( -3.404 -3.665 -0.642) 5.043 9.297 ( -4.056 -0.526 0.687) 4.147 9.428 ( 3.743 -2.917 0.125) 4.747 9.911 ( 0.387 4.467 -0.135) 4.485 10.113 ( -2.311 -2.807 1.977) 4.139 10.292 ( 5.703 5.779 -1.158) 8.202 13.528 ( -0.370 3.223 1.587) 3.612 13.953 ( 9.925 7.809 0.608) 12.643 16.746 ( 0.222 0.298 -1.111) 1.171 17.005 ( 1.028 5.211 2.215) 5.755 17.380 ( -1.020 -1.024 -0.043) 1.446 17.503 ( -7.077 -12.293 -3.497) 14.609 ======================= Grid point 559 (115/124) ======================= q-point: ( 0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -1.158 10.916 5.928) 12.476 2.317 ( -0.019 0.150 9.441) 9.442 2.379 ( 2.689 2.067 -1.557) 3.732 2.467 ( -0.650 5.255 -1.787) 5.588 2.764 ( -2.872 -4.502 -1.072) 5.447 2.875 ( 7.265 3.433 0.145) 8.037 3.114 ( 2.494 -7.308 -2.510) 8.120 3.212 ( 3.388 3.755 3.061) 5.912 3.634 ( -0.904 2.178 -3.877) 4.538 3.872 ( 2.509 2.573 2.958) 4.654 3.921 ( -0.367 2.761 3.440) 4.426 4.089 ( -0.116 -3.066 -4.313) 5.292 5.488 ( -2.363 -0.036 -3.434) 4.168 5.677 ( 1.448 -0.503 -2.838) 3.225 6.764 ( 2.734 2.708 -0.814) 3.933 8.526 ( -1.880 -1.429 -0.656) 2.451 9.225 ( -3.421 -0.206 0.677) 3.493 9.470 ( 4.786 -4.049 0.089) 6.269 9.951 ( -1.172 4.279 0.405) 4.455 10.040 ( -3.316 -0.644 0.706) 3.451 10.427 ( 4.806 2.011 -0.138) 5.212 13.554 ( -1.344 4.792 1.728) 5.268 14.200 ( 10.765 3.315 0.981) 11.307 16.752 ( -0.151 0.706 -1.015) 1.245 16.960 ( -8.488 -0.766 5.513) 10.150 17.332 ( 0.019 -2.515 -2.748) 3.725 17.390 ( 1.302 -3.278 -4.522) 5.735 ======================= Grid point 560 (116/124) ======================= q-point: ( 0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -3.217 11.381 2.569) 12.103 2.296 ( -0.410 1.568 4.851) 5.115 2.473 ( 3.647 2.088 -0.242) 4.210 2.498 ( -0.851 3.470 1.687) 3.951 2.651 ( -5.339 -2.331 -0.331) 5.835 3.010 ( 4.333 0.096 -0.340) 4.347 3.091 ( 3.027 -7.846 -2.092) 8.666 3.274 ( 0.429 1.686 4.620) 4.936 3.610 ( -1.149 -1.135 -3.027) 3.431 3.920 ( 1.205 1.257 0.887) 1.955 3.963 ( 0.363 2.938 3.579) 4.645 4.068 ( 0.373 -1.401 -4.034) 4.287 5.455 ( -1.822 1.219 -3.311) 3.971 5.692 ( 1.188 -1.242 -2.920) 3.389 6.819 ( 0.961 1.235 -0.817) 1.765 8.498 ( -0.611 -0.117 -0.805) 1.017 9.180 ( -1.655 0.579 0.620) 1.860 9.505 ( 4.304 -5.445 0.224) 6.944 9.948 ( -0.718 -0.532 1.879) 2.081 10.004 ( -4.113 6.192 -0.570) 7.455 10.500 ( 2.734 -0.730 -0.297) 2.846 13.574 ( -2.402 5.509 1.417) 6.174 14.367 ( 6.918 -2.821 1.311) 7.586 16.758 ( 0.218 0.433 0.718) 0.867 16.811 ( -6.247 1.959 1.201) 6.656 17.327 ( 0.142 -0.411 -0.479) 0.646 17.393 ( 2.030 -3.607 -4.181) 5.884 ======================= Grid point 561 (117/124) ======================= q-point: (-0.50 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -4.915 9.151 -0.676) 10.409 2.360 ( 3.949 4.200 -1.436) 5.941 2.441 ( -4.482 -2.530 2.813) 5.865 2.527 ( -6.671 1.964 -0.852) 7.006 2.601 ( 4.692 1.935 4.219) 6.600 2.977 ( -2.216 -5.860 2.498) 6.745 3.089 ( 2.689 -5.876 -1.130) 6.560 3.265 ( -2.628 0.658 5.309) 5.960 3.592 ( -0.392 -0.028 -1.203) 1.266 3.946 ( 0.583 0.586 -1.000) 1.298 3.977 ( -0.602 1.405 2.300) 2.762 4.060 ( -0.110 -1.570 -4.125) 4.415 5.453 ( -0.365 2.112 -3.065) 3.740 5.693 ( 0.569 -1.604 -3.023) 3.469 6.819 ( -1.572 -0.219 -0.792) 1.774 8.499 ( 0.549 0.501 -0.963) 1.216 9.181 ( 0.396 1.775 0.527) 1.893 9.502 ( 2.351 -6.529 0.459) 6.955 9.951 ( 1.437 0.068 1.825) 2.324 9.996 ( -4.362 6.738 0.032) 8.027 10.507 ( -0.080 -2.482 -1.057) 2.699 13.580 ( -3.076 4.997 0.872) 5.933 14.366 ( -1.106 -7.477 1.386) 7.684 16.751 ( -0.848 0.364 0.634) 1.120 16.844 ( 4.340 7.182 -1.194) 8.476 17.315 ( -0.933 -1.733 0.168) 1.975 17.374 ( 0.441 -3.359 -1.962) 3.915 ======================= Grid point 562 (118/124) ======================= q-point: (-0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -5.896 5.040 -2.712) 8.217 2.292 ( -7.951 -3.859 5.352) 10.332 2.419 ( -6.466 1.242 1.005) 6.660 2.492 ( 5.130 2.703 -4.214) 7.168 2.707 ( 4.494 0.969 4.056) 6.131 2.868 ( -4.676 -3.207 0.835) 5.731 3.064 ( 3.366 -5.490 2.678) 6.974 3.197 ( -5.246 -0.166 4.432) 6.869 3.576 ( -3.416 2.592 1.660) 4.598 3.937 ( -1.783 -1.434 -2.137) 3.131 3.989 ( -0.793 1.958 -3.221) 3.852 4.039 ( 1.876 -2.792 -0.661) 3.428 5.482 ( 1.073 2.131 -2.868) 3.731 5.680 ( -0.198 -1.516 -3.125) 3.479 6.763 ( -3.722 -0.999 -0.765) 3.928 8.530 ( 2.263 0.815 -1.001) 2.605 9.227 ( 1.924 2.912 0.430) 3.517 9.463 ( 0.912 -6.101 0.731) 6.212 9.954 ( -3.762 3.427 0.032) 5.089 10.025 ( 2.602 2.384 2.316) 4.222 10.444 ( -3.678 -3.436 -1.924) 5.388 13.568 ( -3.101 3.316 0.411) 4.559 14.196 ( -8.422 -7.702 1.308) 11.487 16.743 ( -0.736 0.699 -0.239) 1.042 17.071 ( 9.475 8.356 -5.062) 13.609 17.244 ( -1.005 -4.941 3.783) 6.303 17.367 ( 0.808 -0.468 -0.428) 1.027 ======================= Grid point 563 (119/124) ======================= q-point: (-0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -6.680 -1.794 0.713) 6.953 2.104 ( -10.684 0.113 6.646) 12.583 2.324 ( -5.209 0.799 1.464) 5.470 2.555 ( 0.174 -3.280 -5.649) 6.535 2.671 ( -5.542 -1.975 1.785) 6.148 2.854 ( 4.457 1.418 3.538) 5.864 3.076 ( -6.479 -0.251 3.541) 7.388 3.172 ( 10.052 0.817 1.434) 10.186 3.530 ( -4.493 3.181 2.749) 6.154 3.843 ( -5.560 -3.557 -4.162) 7.803 3.972 ( -0.862 -1.005 -1.460) 1.971 4.089 ( 3.177 0.843 -1.097) 3.465 5.527 ( 1.798 1.348 -2.863) 3.640 5.657 ( -0.880 -0.997 -3.181) 3.448 6.678 ( -4.586 -0.865 -0.754) 4.728 8.601 ( 4.884 0.900 -0.899) 5.047 9.300 ( 2.483 3.242 0.370) 4.100 9.421 ( 0.568 -4.347 0.841) 4.464 9.909 ( -4.157 2.023 -0.001) 4.623 10.102 ( 3.333 1.297 2.932) 4.625 10.309 ( -7.430 -3.325 -2.750) 8.592 13.540 ( -2.431 0.980 0.366) 2.647 13.947 ( -11.933 -4.281 1.174) 12.732 16.739 ( -0.483 0.567 -0.393) 0.842 17.053 ( -7.366 -2.779 -2.574) 8.283 17.383 ( 1.059 0.165 -0.272) 1.106 17.455 ( 16.995 4.544 1.366) 17.645 ======================= Grid point 568 (120/124) ======================= q-point: ( 0.20 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 2.303 10.805 2.185) 11.262 2.269 ( 4.993 4.053 4.356) 7.767 2.410 ( -0.276 4.417 4.115) 6.043 2.518 ( 0.119 1.224 -3.780) 3.975 2.726 ( 0.517 -3.030 0.377) 3.097 2.838 ( 1.705 3.655 1.204) 4.210 3.015 ( -2.192 -7.916 -0.204) 8.217 3.198 ( 3.210 4.913 3.516) 6.842 3.636 ( 3.139 1.088 0.524) 3.363 3.892 ( -0.467 4.419 -2.913) 5.314 3.968 ( -2.063 2.031 2.823) 4.043 4.045 ( 0.962 -3.392 -3.547) 5.001 5.513 ( -0.198 -0.759 -3.108) 3.206 5.657 ( -0.166 -0.039 -2.992) 2.997 6.753 ( 2.086 3.583 -0.796) 4.222 8.538 ( -1.368 -2.172 -0.829) 2.697 9.280 ( -1.287 -1.760 0.480) 2.232 9.376 ( -0.344 -1.289 0.531) 1.436 9.985 ( 0.316 0.904 1.003) 1.387 10.071 ( 1.026 0.428 0.897) 1.428 10.392 ( 1.447 3.828 -1.264) 4.283 13.611 ( 2.099 4.576 1.033) 5.139 14.101 ( 3.910 6.373 1.134) 7.562 16.754 ( 0.524 0.379 -0.362) 0.741 17.110 ( -5.893 4.126 3.829) 8.150 17.240 ( 1.526 -11.319 -5.238) 12.565 17.364 ( -0.492 -1.155 -0.560) 1.375 ======================= Grid point 569 (121/124) ======================= q-point: ( 0.30 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -0.902 14.835 1.862) 14.978 2.341 ( -1.134 2.545 6.709) 7.265 2.426 ( 1.595 2.469 1.392) 3.253 2.564 ( -1.197 2.027 1.617) 2.856 2.691 ( 0.412 -0.881 -3.049) 3.200 2.917 ( 2.995 -1.893 -2.311) 4.230 2.946 ( 3.495 -5.974 0.266) 6.926 3.278 ( 1.353 2.402 4.986) 5.697 3.617 ( -2.266 -4.015 -2.887) 5.439 3.923 ( 0.283 2.271 -1.038) 2.513 3.984 ( 0.854 2.955 3.067) 4.344 4.046 ( 0.769 -0.525 -2.595) 2.757 5.503 ( -1.292 1.500 -3.220) 3.779 5.653 ( 0.822 -1.775 -2.920) 3.515 6.815 ( 1.378 2.105 -0.838) 2.652 8.507 ( -0.671 -0.472 -0.855) 1.185 9.231 ( -2.872 0.705 0.620) 3.021 9.378 ( 3.238 -4.334 0.371) 5.422 9.951 ( -1.318 -2.107 1.950) 3.159 10.130 ( -0.804 6.949 -0.613) 7.022 10.438 ( 2.224 -0.910 -0.456) 2.446 13.691 ( -1.016 8.286 1.349) 8.457 14.205 ( 5.676 -2.887 1.239) 6.487 16.757 ( -0.265 -0.553 1.057) 1.222 16.972 ( -7.914 2.532 1.627) 8.467 17.264 ( 5.068 -3.939 -4.675) 7.941 17.340 ( -0.557 -1.724 -0.634) 1.920 ======================= Grid point 570 (122/124) ======================= q-point: ( 0.40 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -7.890 13.569 2.157) 15.843 2.364 ( 1.300 5.406 0.590) 5.592 2.491 ( -3.348 -2.518 2.534) 4.896 2.519 ( 4.235 1.047 2.892) 5.234 2.688 ( -5.380 4.264 -1.407) 7.007 2.888 ( 2.866 -10.174 0.444) 10.579 2.985 ( 3.222 -2.944 -1.560) 4.635 3.298 ( -0.378 0.602 6.544) 6.583 3.560 ( 1.385 -3.027 -4.046) 5.240 3.946 ( 0.362 0.896 -1.621) 1.887 4.009 ( -1.200 1.510 2.681) 3.303 4.055 ( 0.121 0.113 -1.915) 1.922 5.498 ( -1.691 2.776 -3.117) 4.503 5.652 ( 1.514 -2.536 -2.984) 4.198 6.838 ( -0.380 0.646 -0.847) 1.131 8.500 ( -0.104 0.246 -0.936) 0.974 9.208 ( -1.160 2.106 0.575) 2.472 9.386 ( 3.125 -5.565 0.472) 6.400 9.926 ( 0.533 -0.904 1.963) 2.226 10.158 ( -4.585 7.509 -0.458) 8.810 10.456 ( 2.279 -3.447 -0.618) 4.178 13.729 ( -5.042 9.054 1.184) 10.430 14.240 ( 4.986 -8.766 1.365) 10.177 16.746 ( 0.402 -0.688 2.380) 2.509 16.927 ( -3.474 7.819 -1.836) 8.751 17.286 ( 2.087 -6.513 -2.737) 7.367 17.320 ( 0.704 -0.290 -0.384) 0.852 ======================= Grid point 572 (123/124) ======================= q-point: (-0.50 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -9.832 6.438 -0.104) 11.752 2.374 ( -5.386 -2.773 3.533) 7.013 2.458 ( 1.893 2.939 -0.522) 3.535 2.568 ( -7.572 -0.201 1.689) 7.761 2.629 ( 4.683 2.308 0.985) 5.313 2.875 ( 2.677 -1.209 1.743) 3.415 2.963 ( -0.153 -5.726 -0.979) 5.812 3.275 ( -3.040 0.298 5.139) 5.978 3.604 ( 3.389 0.984 -1.643) 3.893 3.948 ( -0.551 -0.843 -3.305) 3.455 3.992 ( -0.935 -0.031 2.677) 2.836 4.036 ( -1.874 -0.207 -2.017) 2.761 5.501 ( -0.752 2.011 -3.009) 3.696 5.654 ( 1.175 -1.664 -3.043) 3.661 6.815 ( -2.520 -0.128 -0.823) 2.654 8.508 ( 0.801 0.265 -0.953) 1.273 9.233 ( 0.892 2.807 0.452) 2.980 9.376 ( 2.008 -4.866 0.628) 5.301 9.952 ( 2.574 0.024 1.917) 3.210 10.124 ( -5.915 4.564 -0.029) 7.471 10.445 ( -0.027 -2.825 -1.138) 3.046 13.696 ( -6.442 4.710 0.902) 8.031 14.203 ( -0.405 -6.275 1.395) 6.441 16.755 ( 0.386 0.125 1.031) 1.108 17.010 ( 4.558 6.888 -1.361) 8.370 17.224 ( -1.569 -5.111 -1.436) 5.536 17.341 ( 1.517 -0.377 -0.621) 1.682 ======================= Grid point 580 (124/124) ======================= q-point: ( 0.30 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 5.87e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 7.080 8.000 3.213) 11.156 2.417 ( -2.167 4.310 4.820) 6.819 2.490 ( 2.583 1.526 -2.092) 3.657 2.517 ( -3.712 -1.674 5.278) 6.666 2.680 ( 0.656 -5.187 -5.317) 7.457 2.827 ( 1.292 1.832 0.226) 2.253 2.925 ( -1.579 -1.674 -0.452) 2.345 3.301 ( -0.031 0.000 7.921) 7.921 3.525 ( -1.741 -3.178 -5.679) 6.736 3.950 ( 0.009 0.438 -2.156) 2.200 4.032 ( 1.259 1.587 1.899) 2.776 4.054 ( -0.076 0.361 -0.349) 0.508 5.543 ( 1.270 2.114 -3.065) 3.934 5.610 ( -1.293 -2.174 -3.007) 3.929 6.845 ( 0.453 0.782 -0.870) 1.255 8.503 ( -0.032 -0.037 -0.962) 0.963 9.250 ( 0.525 1.009 0.557) 1.267 9.307 ( -1.286 -2.341 0.562) 2.729 9.916 ( -0.568 -0.980 1.956) 2.260 10.263 ( 3.291 5.424 -0.471) 6.361 10.393 ( -2.010 -3.186 -0.619) 3.817 13.871 ( 4.693 8.294 1.220) 9.608 14.098 ( -3.727 -6.569 1.333) 7.669 16.739 ( -0.442 -0.748 2.432) 2.583 17.051 ( 1.511 4.018 -1.818) 4.662 17.180 ( -1.265 -3.749 -2.960) 4.941 17.316 ( -0.415 -0.622 -0.227) 0.781 =================== 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 3/29700 10.0 173.272 173.272 113.017 -0.000 -0.000 -0.000 3/29700 20.0 29.243 29.243 24.548 0.000 -0.000 -0.000 3/29700 30.0 11.875 11.875 11.113 0.000 -0.000 -0.000 3/29700 40.0 7.266 7.266 7.201 0.000 -0.000 -0.000 3/29700 50.0 5.251 5.251 5.391 0.000 -0.000 -0.000 3/29700 60.0 4.131 4.131 4.357 0.000 -0.000 -0.000 3/29700 70.0 3.423 3.423 3.693 0.000 -0.000 -0.000 3/29700 80.0 2.941 2.941 3.232 0.000 -0.000 -0.000 3/29700 90.0 2.594 2.594 2.895 0.000 -0.000 -0.000 3/29700 100.0 2.334 2.334 2.637 0.000 -0.000 -0.000 3/29700 110.0 2.132 2.132 2.431 0.000 -0.000 -0.000 3/29700 120.0 1.971 1.971 2.264 0.000 -0.000 -0.000 3/29700 130.0 1.838 1.838 2.124 0.000 -0.000 -0.000 3/29700 140.0 1.726 1.726 2.004 0.000 -0.000 -0.000 3/29700 150.0 1.631 1.631 1.901 0.000 -0.000 -0.000 3/29700 160.0 1.547 1.547 1.809 0.000 -0.000 -0.000 3/29700 170.0 1.474 1.474 1.728 0.000 -0.000 -0.000 3/29700 180.0 1.408 1.408 1.655 0.000 -0.000 -0.000 3/29700 190.0 1.349 1.349 1.589 0.000 -0.000 -0.000 3/29700 200.0 1.295 1.295 1.529 0.000 -0.000 -0.000 3/29700 210.0 1.246 1.246 1.473 0.000 -0.000 -0.000 3/29700 220.0 1.200 1.200 1.422 0.000 -0.000 -0.000 3/29700 230.0 1.158 1.158 1.374 0.000 -0.000 -0.000 3/29700 240.0 1.119 1.119 1.329 0.000 -0.000 -0.000 3/29700 250.0 1.083 1.083 1.288 0.000 -0.000 -0.000 3/29700 260.0 1.049 1.049 1.249 0.000 -0.000 -0.000 3/29700 270.0 1.017 1.017 1.212 0.000 -0.000 -0.000 3/29700 280.0 0.987 0.987 1.178 0.000 -0.000 -0.000 3/29700 290.0 0.959 0.959 1.145 0.000 -0.000 -0.000 3/29700 300.0 0.932 0.932 1.114 0.000 -0.000 -0.000 3/29700 310.0 0.907 0.907 1.085 0.000 -0.000 -0.000 3/29700 320.0 0.883 0.883 1.057 0.000 -0.000 -0.000 3/29700 330.0 0.860 0.860 1.030 0.000 -0.000 -0.000 3/29700 340.0 0.838 0.838 1.005 0.000 -0.000 -0.000 3/29700 350.0 0.817 0.817 0.981 0.000 -0.000 -0.000 3/29700 360.0 0.798 0.798 0.958 0.000 -0.000 -0.000 3/29700 370.0 0.779 0.779 0.936 0.000 -0.000 -0.000 3/29700 380.0 0.761 0.761 0.915 0.000 -0.000 -0.000 3/29700 390.0 0.744 0.744 0.895 0.000 -0.000 -0.000 3/29700 400.0 0.728 0.728 0.875 0.000 -0.000 -0.000 3/29700 410.0 0.712 0.712 0.857 0.000 -0.000 -0.000 3/29700 420.0 0.697 0.697 0.839 0.000 -0.000 -0.000 3/29700 430.0 0.682 0.682 0.822 0.000 -0.000 -0.000 3/29700 440.0 0.668 0.668 0.805 0.000 -0.000 -0.000 3/29700 450.0 0.655 0.655 0.789 0.000 -0.000 -0.000 3/29700 460.0 0.642 0.642 0.774 0.000 -0.000 -0.000 3/29700 470.0 0.630 0.630 0.760 0.000 -0.000 -0.000 3/29700 480.0 0.618 0.618 0.745 0.000 -0.000 -0.000 3/29700 490.0 0.606 0.606 0.732 0.000 -0.000 -0.000 3/29700 500.0 0.595 0.595 0.719 0.000 -0.000 -0.000 3/29700 510.0 0.585 0.585 0.706 0.000 -0.000 -0.000 3/29700 520.0 0.574 0.574 0.694 0.000 -0.000 -0.000 3/29700 530.0 0.564 0.564 0.682 0.000 -0.000 -0.000 3/29700 540.0 0.555 0.555 0.670 0.000 -0.000 -0.000 3/29700 550.0 0.545 0.545 0.659 0.000 -0.000 -0.000 3/29700 560.0 0.536 0.536 0.648 0.000 -0.000 -0.000 3/29700 570.0 0.528 0.528 0.638 0.000 -0.000 -0.000 3/29700 580.0 0.519 0.519 0.628 0.000 -0.000 -0.000 3/29700 590.0 0.511 0.511 0.618 0.000 -0.000 -0.000 3/29700 600.0 0.503 0.503 0.608 0.000 -0.000 -0.000 3/29700 610.0 0.495 0.495 0.599 0.000 -0.000 -0.000 3/29700 620.0 0.488 0.488 0.590 0.000 -0.000 -0.000 3/29700 630.0 0.481 0.481 0.581 0.000 -0.000 -0.000 3/29700 640.0 0.474 0.474 0.573 0.000 -0.000 -0.000 3/29700 650.0 0.467 0.467 0.565 0.000 -0.000 -0.000 3/29700 660.0 0.460 0.460 0.557 0.000 -0.000 -0.000 3/29700 670.0 0.454 0.454 0.549 0.000 -0.000 -0.000 3/29700 680.0 0.447 0.447 0.541 0.000 -0.000 -0.000 3/29700 690.0 0.441 0.441 0.534 0.000 -0.000 -0.000 3/29700 700.0 0.435 0.435 0.527 0.000 -0.000 -0.000 3/29700 710.0 0.429 0.429 0.520 0.000 -0.000 -0.000 3/29700 720.0 0.424 0.424 0.513 0.000 -0.000 -0.000 3/29700 730.0 0.418 0.418 0.506 0.000 -0.000 -0.000 3/29700 740.0 0.413 0.413 0.500 0.000 -0.000 -0.000 3/29700 750.0 0.408 0.408 0.494 0.000 -0.000 -0.000 3/29700 760.0 0.402 0.402 0.487 0.000 -0.000 -0.000 3/29700 770.0 0.397 0.397 0.481 0.000 -0.000 -0.000 3/29700 780.0 0.393 0.393 0.476 0.000 -0.000 -0.000 3/29700 790.0 0.388 0.388 0.470 0.000 -0.000 -0.000 3/29700 800.0 0.383 0.383 0.464 0.000 -0.000 -0.000 3/29700 810.0 0.379 0.379 0.459 0.000 -0.000 -0.000 3/29700 820.0 0.374 0.374 0.453 0.000 -0.000 -0.000 3/29700 830.0 0.370 0.370 0.448 0.000 -0.000 -0.000 3/29700 840.0 0.366 0.366 0.443 0.000 -0.000 -0.000 3/29700 850.0 0.362 0.362 0.438 0.000 -0.000 -0.000 3/29700 860.0 0.357 0.357 0.433 0.000 -0.000 -0.000 3/29700 870.0 0.354 0.354 0.428 0.000 -0.000 -0.000 3/29700 880.0 0.350 0.350 0.424 0.000 -0.000 -0.000 3/29700 890.0 0.346 0.346 0.419 0.000 -0.000 -0.000 3/29700 900.0 0.342 0.342 0.415 0.000 -0.000 -0.000 3/29700 910.0 0.339 0.339 0.410 0.000 -0.000 -0.000 3/29700 920.0 0.335 0.335 0.406 0.000 -0.000 -0.000 3/29700 930.0 0.332 0.332 0.402 0.000 -0.000 -0.000 3/29700 940.0 0.328 0.328 0.398 0.000 -0.000 -0.000 3/29700 950.0 0.325 0.325 0.394 0.000 -0.000 -0.000 3/29700 960.0 0.321 0.321 0.390 0.000 -0.000 -0.000 3/29700 970.0 0.318 0.318 0.386 0.000 -0.000 -0.000 3/29700 980.0 0.315 0.315 0.382 0.000 -0.000 -0.000 3/29700 990.0 0.312 0.312 0.378 0.000 -0.000 -0.000 3/29700 1000.0 0.309 0.309 0.375 0.000 -0.000 -0.000 3/29700 Thermal conductivity related properties were written into "kappa-m101011.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:34:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|