----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:24:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.729002910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.662359070000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.266949850000000 Atomic positions (fractional): *1 O 0.13647234316422 0.80525203396420 0.00000000000000 15.999 2 O 0.86352765683578 0.19474796603580 0.00000000000000 15.999 3 O 0.63647234316422 0.69474796603580 0.00000000000000 15.999 4 O 0.36352765683578 0.30525203396420 0.00000000000000 15.999 *5 O 0.27036625691632 0.54865832548742 0.50000000000000 15.999 6 O 0.72963374308368 0.45134167451258 0.50000000000000 15.999 7 O 0.22963374308368 0.04865832548742 0.50000000000000 15.999 8 O 0.77036625691632 0.95134167451258 0.50000000000000 15.999 *9 Ca 0.07119638648607 0.31811363590313 0.50000000000000 40.078 10 Ca 0.92880361351393 0.68188636409687 0.50000000000000 40.078 11 Ca 0.42880361351393 0.81811363590313 0.50000000000000 40.078 12 Ca 0.57119638648607 0.18188636409687 0.50000000000000 40.078 *13 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 14 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.729002910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.662359070000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.266949850000000 Atomic positions (fractional): *1 O 0.13647234316422 0.80525203396420 0.00000000000000 15.999 > 1 2 O 0.86352765683578 0.19474796603580 0.00000000000000 15.999 > 2 3 O 0.63647234316422 0.69474796603580 0.00000000000000 15.999 > 3 4 O 0.36352765683578 0.30525203396420 0.00000000000000 15.999 > 4 *5 O 0.27036625691632 0.54865832548742 0.50000000000000 15.999 > 5 6 O 0.72963374308368 0.45134167451258 0.50000000000000 15.999 > 6 7 O 0.22963374308368 0.04865832548742 0.50000000000000 15.999 > 7 8 O 0.77036625691632 0.95134167451258 0.50000000000000 15.999 > 8 *9 Ca 0.07119638648607 0.31811363590313 0.50000000000000 40.078 > 9 10 Ca 0.92880361351393 0.68188636409687 0.50000000000000 40.078 > 10 11 Ca 0.42880361351393 0.81811363590313 0.50000000000000 40.078 > 11 12 Ca 0.57119638648607 0.18188636409687 0.50000000000000 40.078 > 12 *13 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 13 14 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.458005820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.662359070000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.800849550000001 Atomic positions (fractional): *1 O 0.06823617158211 0.80525203396420 0.00000000000000 15.999 > 1 2 O 0.56823617158211 0.80525203396420 0.00000000000000 15.999 > 1 3 O 0.06823617158211 0.80525203396420 0.33333333333333 15.999 > 1 4 O 0.56823617158211 0.80525203396420 0.33333333333333 15.999 > 1 5 O 0.06823617158211 0.80525203396420 0.66666666666667 15.999 > 1 6 O 0.56823617158211 0.80525203396420 0.66666666666667 15.999 > 1 7 O 0.43176382841789 0.19474796603580 0.00000000000000 15.999 > 2 8 O 0.93176382841789 0.19474796603580 0.00000000000000 15.999 > 2 9 O 0.43176382841789 0.19474796603580 0.33333333333333 15.999 > 2 10 O 0.93176382841789 0.19474796603580 0.33333333333333 15.999 > 2 11 O 0.43176382841789 0.19474796603580 0.66666666666667 15.999 > 2 12 O 0.93176382841789 0.19474796603580 0.66666666666667 15.999 > 2 13 O 0.31823617158211 0.69474796603580 0.00000000000000 15.999 > 3 14 O 0.81823617158211 0.69474796603580 0.00000000000000 15.999 > 3 15 O 0.31823617158211 0.69474796603580 0.33333333333333 15.999 > 3 16 O 0.81823617158211 0.69474796603580 0.33333333333333 15.999 > 3 17 O 0.31823617158211 0.69474796603580 0.66666666666667 15.999 > 3 18 O 0.81823617158211 0.69474796603580 0.66666666666667 15.999 > 3 19 O 0.18176382841789 0.30525203396420 0.00000000000000 15.999 > 4 20 O 0.68176382841789 0.30525203396420 0.00000000000000 15.999 > 4 21 O 0.18176382841789 0.30525203396420 0.33333333333333 15.999 > 4 22 O 0.68176382841789 0.30525203396420 0.33333333333333 15.999 > 4 23 O 0.18176382841789 0.30525203396420 0.66666666666667 15.999 > 4 24 O 0.68176382841789 0.30525203396420 0.66666666666667 15.999 > 4 *25 O 0.13518312845816 0.54865832548742 0.16666666666667 15.999 > 5 26 O 0.63518312845816 0.54865832548742 0.16666666666667 15.999 > 5 27 O 0.13518312845816 0.54865832548742 0.50000000000000 15.999 > 5 28 O 0.63518312845816 0.54865832548742 0.50000000000000 15.999 > 5 29 O 0.13518312845816 0.54865832548742 0.83333333333333 15.999 > 5 30 O 0.63518312845816 0.54865832548742 0.83333333333333 15.999 > 5 31 O 0.36481687154184 0.45134167451258 0.16666666666667 15.999 > 6 32 O 0.86481687154184 0.45134167451258 0.16666666666667 15.999 > 6 33 O 0.36481687154184 0.45134167451258 0.50000000000000 15.999 > 6 34 O 0.86481687154184 0.45134167451258 0.50000000000000 15.999 > 6 35 O 0.36481687154184 0.45134167451258 0.83333333333333 15.999 > 6 36 O 0.86481687154184 0.45134167451258 0.83333333333333 15.999 > 6 37 O 0.11481687154184 0.04865832548742 0.16666666666667 15.999 > 7 38 O 0.61481687154184 0.04865832548742 0.16666666666667 15.999 > 7 39 O 0.11481687154184 0.04865832548742 0.50000000000000 15.999 > 7 40 O 0.61481687154184 0.04865832548742 0.50000000000000 15.999 > 7 41 O 0.11481687154184 0.04865832548742 0.83333333333333 15.999 > 7 42 O 0.61481687154184 0.04865832548742 0.83333333333333 15.999 > 7 43 O 0.38518312845816 0.95134167451258 0.16666666666667 15.999 > 8 44 O 0.88518312845816 0.95134167451258 0.16666666666667 15.999 > 8 45 O 0.38518312845816 0.95134167451258 0.50000000000000 15.999 > 8 46 O 0.88518312845816 0.95134167451258 0.50000000000000 15.999 > 8 47 O 0.38518312845816 0.95134167451258 0.83333333333333 15.999 > 8 48 O 0.88518312845816 0.95134167451258 0.83333333333333 15.999 > 8 *49 Ca 0.03559819324303 0.31811363590313 0.16666666666667 40.078 > 9 50 Ca 0.53559819324303 0.31811363590313 0.16666666666667 40.078 > 9 51 Ca 0.03559819324303 0.31811363590313 0.50000000000000 40.078 > 9 52 Ca 0.53559819324303 0.31811363590313 0.50000000000000 40.078 > 9 53 Ca 0.03559819324303 0.31811363590313 0.83333333333333 40.078 > 9 54 Ca 0.53559819324303 0.31811363590313 0.83333333333333 40.078 > 9 55 Ca 0.46440180675697 0.68188636409687 0.16666666666667 40.078 > 10 56 Ca 0.96440180675697 0.68188636409687 0.16666666666667 40.078 > 10 57 Ca 0.46440180675697 0.68188636409687 0.50000000000000 40.078 > 10 58 Ca 0.96440180675697 0.68188636409687 0.50000000000000 40.078 > 10 59 Ca 0.46440180675697 0.68188636409687 0.83333333333333 40.078 > 10 60 Ca 0.96440180675697 0.68188636409687 0.83333333333333 40.078 > 10 61 Ca 0.21440180675697 0.81811363590313 0.16666666666667 40.078 > 11 62 Ca 0.71440180675697 0.81811363590313 0.16666666666667 40.078 > 11 63 Ca 0.21440180675697 0.81811363590313 0.50000000000000 40.078 > 11 64 Ca 0.71440180675697 0.81811363590313 0.50000000000000 40.078 > 11 65 Ca 0.21440180675697 0.81811363590313 0.83333333333333 40.078 > 11 66 Ca 0.71440180675697 0.81811363590313 0.83333333333333 40.078 > 11 67 Ca 0.28559819324303 0.18188636409687 0.16666666666667 40.078 > 12 68 Ca 0.78559819324303 0.18188636409687 0.16666666666667 40.078 > 12 69 Ca 0.28559819324303 0.18188636409687 0.50000000000000 40.078 > 12 70 Ca 0.78559819324303 0.18188636409687 0.50000000000000 40.078 > 12 71 Ca 0.28559819324303 0.18188636409687 0.83333333333333 40.078 > 12 72 Ca 0.78559819324303 0.18188636409687 0.83333333333333 40.078 > 12 *73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 13 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 13 75 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 13 76 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 13 77 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 13 78 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 13 79 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 14 80 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 14 81 Sn 0.25000000000000 0.50000000000000 0.33333333333333 118.710 > 14 82 Sn 0.75000000000000 0.50000000000000 0.33333333333333 118.710 > 14 83 Sn 0.25000000000000 0.50000000000000 0.66666666666667 118.710 > 14 84 Sn 0.75000000000000 0.50000000000000 0.66666666666667 118.710 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9776007 0.0000000 0.0000000 0.0000000 3.9119679 0.0000000 0.0000000 0.0000000 4.1290352 -------------------------- Born effective charges -------------------------- 1 O -2.0249109 0.0355539 0.0000000 0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 2 O -2.0249109 0.0355539 0.0000000 0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 3 O -2.0249109 -0.0355539 0.0000000 -0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 4 O -2.0249109 -0.0355539 0.0000000 -0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 5 O -2.2172425 0.2148822 0.0000000 0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 6 O -2.2172425 0.2148822 0.0000000 0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 7 O -2.2172425 -0.2148822 0.0000000 -0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 8 O -2.2172425 -0.2148822 0.0000000 -0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 9 Ca 2.7092296 0.1461142 0.0000000 0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 10 Ca 2.7092296 0.1461142 0.0000000 0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 11 Ca 2.7092296 -0.1461142 0.0000000 -0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 12 Ca 2.7092296 -0.1461142 0.0000000 -0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 13 Sn 3.0658477 -0.0572157 0.0000000 -0.0585156 3.6030741 0.0000000 0.0000000 0.0000000 4.5901870 14 Sn 3.0658477 0.0572157 0.0000000 0.0585156 3.6030741 0.0000000 0.0000000 0.0000000 4.5901870 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.530 Solver_block: 200 / 240 - Time: 0.512 Solver_block: 240 / 240 - Time: 0.260 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.341 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:24:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:24:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.729002910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.662359070000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.266949850000000 Atomic positions (fractional): 1 O 0.13647234316422 0.80525203396420 0.00000000000000 15.999 2 O 0.86352765683578 0.19474796603580 0.00000000000000 15.999 3 O 0.63647234316422 0.69474796603580 0.00000000000000 15.999 4 O 0.36352765683578 0.30525203396420 0.00000000000000 15.999 5 O 0.27036625691632 0.54865832548742 0.50000000000000 15.999 6 O 0.72963374308368 0.45134167451258 0.50000000000000 15.999 7 O 0.22963374308368 0.04865832548742 0.50000000000000 15.999 8 O 0.77036625691632 0.95134167451258 0.50000000000000 15.999 9 Ca 0.07119638648607 0.31811363590313 0.50000000000000 40.078 10 Ca 0.92880361351393 0.68188636409687 0.50000000000000 40.078 11 Ca 0.42880361351393 0.81811363590313 0.50000000000000 40.078 12 Ca 0.57119638648607 0.18188636409687 0.50000000000000 40.078 13 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 14 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.458005820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.662359070000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.800849550000001 Atomic positions (fractional): 1 O 0.06823617158211 0.80525203396420 0.00000000000000 15.999 > 1 2 O 0.56823617158211 0.80525203396420 0.00000000000000 15.999 > 1 3 O 0.06823617158211 0.80525203396420 0.33333333333333 15.999 > 1 4 O 0.56823617158211 0.80525203396420 0.33333333333333 15.999 > 1 5 O 0.06823617158211 0.80525203396420 0.66666666666667 15.999 > 1 6 O 0.56823617158211 0.80525203396420 0.66666666666667 15.999 > 1 7 O 0.43176382841789 0.19474796603580 0.00000000000000 15.999 > 7 8 O 0.93176382841789 0.19474796603580 0.00000000000000 15.999 > 7 9 O 0.43176382841789 0.19474796603580 0.33333333333333 15.999 > 7 10 O 0.93176382841789 0.19474796603580 0.33333333333333 15.999 > 7 11 O 0.43176382841789 0.19474796603580 0.66666666666667 15.999 > 7 12 O 0.93176382841789 0.19474796603580 0.66666666666667 15.999 > 7 13 O 0.31823617158211 0.69474796603580 0.00000000000000 15.999 > 13 14 O 0.81823617158211 0.69474796603580 0.00000000000000 15.999 > 13 15 O 0.31823617158211 0.69474796603580 0.33333333333333 15.999 > 13 16 O 0.81823617158211 0.69474796603580 0.33333333333333 15.999 > 13 17 O 0.31823617158211 0.69474796603580 0.66666666666667 15.999 > 13 18 O 0.81823617158211 0.69474796603580 0.66666666666667 15.999 > 13 19 O 0.18176382841789 0.30525203396420 0.00000000000000 15.999 > 19 20 O 0.68176382841789 0.30525203396420 0.00000000000000 15.999 > 19 21 O 0.18176382841789 0.30525203396420 0.33333333333333 15.999 > 19 22 O 0.68176382841789 0.30525203396420 0.33333333333333 15.999 > 19 23 O 0.18176382841789 0.30525203396420 0.66666666666667 15.999 > 19 24 O 0.68176382841789 0.30525203396420 0.66666666666667 15.999 > 19 25 O 0.13518312845816 0.54865832548742 0.16666666666667 15.999 > 25 26 O 0.63518312845816 0.54865832548742 0.16666666666667 15.999 > 25 27 O 0.13518312845816 0.54865832548742 0.50000000000000 15.999 > 25 28 O 0.63518312845816 0.54865832548742 0.50000000000000 15.999 > 25 29 O 0.13518312845816 0.54865832548742 0.83333333333333 15.999 > 25 30 O 0.63518312845816 0.54865832548742 0.83333333333333 15.999 > 25 31 O 0.36481687154184 0.45134167451258 0.16666666666667 15.999 > 31 32 O 0.86481687154184 0.45134167451258 0.16666666666667 15.999 > 31 33 O 0.36481687154184 0.45134167451258 0.50000000000000 15.999 > 31 34 O 0.86481687154184 0.45134167451258 0.50000000000000 15.999 > 31 35 O 0.36481687154184 0.45134167451258 0.83333333333333 15.999 > 31 36 O 0.86481687154184 0.45134167451258 0.83333333333333 15.999 > 31 37 O 0.11481687154184 0.04865832548742 0.16666666666667 15.999 > 37 38 O 0.61481687154184 0.04865832548742 0.16666666666667 15.999 > 37 39 O 0.11481687154184 0.04865832548742 0.50000000000000 15.999 > 37 40 O 0.61481687154184 0.04865832548742 0.50000000000000 15.999 > 37 41 O 0.11481687154184 0.04865832548742 0.83333333333333 15.999 > 37 42 O 0.61481687154184 0.04865832548742 0.83333333333333 15.999 > 37 43 O 0.38518312845816 0.95134167451258 0.16666666666667 15.999 > 43 44 O 0.88518312845816 0.95134167451258 0.16666666666667 15.999 > 43 45 O 0.38518312845816 0.95134167451258 0.50000000000000 15.999 > 43 46 O 0.88518312845816 0.95134167451258 0.50000000000000 15.999 > 43 47 O 0.38518312845816 0.95134167451258 0.83333333333333 15.999 > 43 48 O 0.88518312845816 0.95134167451258 0.83333333333333 15.999 > 43 49 Ca 0.03559819324303 0.31811363590313 0.16666666666667 40.078 > 49 50 Ca 0.53559819324303 0.31811363590313 0.16666666666667 40.078 > 49 51 Ca 0.03559819324303 0.31811363590313 0.50000000000000 40.078 > 49 52 Ca 0.53559819324303 0.31811363590313 0.50000000000000 40.078 > 49 53 Ca 0.03559819324303 0.31811363590313 0.83333333333333 40.078 > 49 54 Ca 0.53559819324303 0.31811363590313 0.83333333333333 40.078 > 49 55 Ca 0.46440180675697 0.68188636409687 0.16666666666667 40.078 > 55 56 Ca 0.96440180675697 0.68188636409687 0.16666666666667 40.078 > 55 57 Ca 0.46440180675697 0.68188636409687 0.50000000000000 40.078 > 55 58 Ca 0.96440180675697 0.68188636409687 0.50000000000000 40.078 > 55 59 Ca 0.46440180675697 0.68188636409687 0.83333333333333 40.078 > 55 60 Ca 0.96440180675697 0.68188636409687 0.83333333333333 40.078 > 55 61 Ca 0.21440180675697 0.81811363590313 0.16666666666667 40.078 > 61 62 Ca 0.71440180675697 0.81811363590313 0.16666666666667 40.078 > 61 63 Ca 0.21440180675697 0.81811363590313 0.50000000000000 40.078 > 61 64 Ca 0.71440180675697 0.81811363590313 0.50000000000000 40.078 > 61 65 Ca 0.21440180675697 0.81811363590313 0.83333333333333 40.078 > 61 66 Ca 0.71440180675697 0.81811363590313 0.83333333333333 40.078 > 61 67 Ca 0.28559819324303 0.18188636409687 0.16666666666667 40.078 > 67 68 Ca 0.78559819324303 0.18188636409687 0.16666666666667 40.078 > 67 69 Ca 0.28559819324303 0.18188636409687 0.50000000000000 40.078 > 67 70 Ca 0.78559819324303 0.18188636409687 0.50000000000000 40.078 > 67 71 Ca 0.28559819324303 0.18188636409687 0.83333333333333 40.078 > 67 72 Ca 0.78559819324303 0.18188636409687 0.83333333333333 40.078 > 67 73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 73 75 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 73 76 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 73 77 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 73 78 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 73 79 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 79 80 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 79 81 Sn 0.25000000000000 0.50000000000000 0.33333333333333 118.710 > 79 82 Sn 0.75000000000000 0.50000000000000 0.33333333333333 118.710 > 79 83 Sn 0.25000000000000 0.50000000000000 0.66666666666667 118.710 > 79 84 Sn 0.75000000000000 0.50000000000000 0.66666666666667 118.710 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9776007 0.0000000 0.0000000 0.0000000 3.9119679 0.0000000 0.0000000 0.0000000 4.1290352 -------------------------- Born effective charges -------------------------- 1 O -2.0249109 0.0355539 0.0000000 0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 2 O -2.0249109 0.0355539 0.0000000 0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 3 O -2.0249109 -0.0355539 0.0000000 -0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 4 O -2.0249109 -0.0355539 0.0000000 -0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 5 O -2.2172425 0.2148822 0.0000000 0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 6 O -2.2172425 0.2148822 0.0000000 0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 7 O -2.2172425 -0.2148822 0.0000000 -0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 8 O -2.2172425 -0.2148822 0.0000000 -0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 9 Ca 2.7092296 0.1461142 0.0000000 0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 10 Ca 2.7092296 0.1461142 0.0000000 0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 11 Ca 2.7092296 -0.1461142 0.0000000 -0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 12 Ca 2.7092296 -0.1461142 0.0000000 -0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 13 Sn 3.0658477 -0.0572157 0.0000000 -0.0585156 3.6030741 0.0000000 0.0000000 0.0000000 4.5901870 14 Sn 3.0658477 0.0572157 0.0000000 0.0585156 3.6030741 0.0000000 0.0000000 0.0000000 4.5901870 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 20:24:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:24:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.729002910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.662359070000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.266949850000000 Atomic positions (fractional): 1 O 0.13647234316422 0.80525203396420 0.00000000000000 15.999 2 O 0.86352765683578 0.19474796603580 0.00000000000000 15.999 3 O 0.63647234316422 0.69474796603580 0.00000000000000 15.999 4 O 0.36352765683578 0.30525203396420 0.00000000000000 15.999 5 O 0.27036625691632 0.54865832548742 0.50000000000000 15.999 6 O 0.72963374308368 0.45134167451258 0.50000000000000 15.999 7 O 0.22963374308368 0.04865832548742 0.50000000000000 15.999 8 O 0.77036625691632 0.95134167451258 0.50000000000000 15.999 9 Ca 0.07119638648607 0.31811363590313 0.50000000000000 40.078 10 Ca 0.92880361351393 0.68188636409687 0.50000000000000 40.078 11 Ca 0.42880361351393 0.81811363590313 0.50000000000000 40.078 12 Ca 0.57119638648607 0.18188636409687 0.50000000000000 40.078 13 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 14 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.458005820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.662359070000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.800849550000001 Atomic positions (fractional): 1 O 0.06823617158211 0.80525203396420 0.00000000000000 15.999 > 1 2 O 0.56823617158211 0.80525203396420 0.00000000000000 15.999 > 1 3 O 0.06823617158211 0.80525203396420 0.33333333333333 15.999 > 1 4 O 0.56823617158211 0.80525203396420 0.33333333333333 15.999 > 1 5 O 0.06823617158211 0.80525203396420 0.66666666666667 15.999 > 1 6 O 0.56823617158211 0.80525203396420 0.66666666666667 15.999 > 1 7 O 0.43176382841789 0.19474796603580 0.00000000000000 15.999 > 7 8 O 0.93176382841789 0.19474796603580 0.00000000000000 15.999 > 7 9 O 0.43176382841789 0.19474796603580 0.33333333333333 15.999 > 7 10 O 0.93176382841789 0.19474796603580 0.33333333333333 15.999 > 7 11 O 0.43176382841789 0.19474796603580 0.66666666666667 15.999 > 7 12 O 0.93176382841789 0.19474796603580 0.66666666666667 15.999 > 7 13 O 0.31823617158211 0.69474796603580 0.00000000000000 15.999 > 13 14 O 0.81823617158211 0.69474796603580 0.00000000000000 15.999 > 13 15 O 0.31823617158211 0.69474796603580 0.33333333333333 15.999 > 13 16 O 0.81823617158211 0.69474796603580 0.33333333333333 15.999 > 13 17 O 0.31823617158211 0.69474796603580 0.66666666666667 15.999 > 13 18 O 0.81823617158211 0.69474796603580 0.66666666666667 15.999 > 13 19 O 0.18176382841789 0.30525203396420 0.00000000000000 15.999 > 19 20 O 0.68176382841789 0.30525203396420 0.00000000000000 15.999 > 19 21 O 0.18176382841789 0.30525203396420 0.33333333333333 15.999 > 19 22 O 0.68176382841789 0.30525203396420 0.33333333333333 15.999 > 19 23 O 0.18176382841789 0.30525203396420 0.66666666666667 15.999 > 19 24 O 0.68176382841789 0.30525203396420 0.66666666666667 15.999 > 19 25 O 0.13518312845816 0.54865832548742 0.16666666666667 15.999 > 25 26 O 0.63518312845816 0.54865832548742 0.16666666666667 15.999 > 25 27 O 0.13518312845816 0.54865832548742 0.50000000000000 15.999 > 25 28 O 0.63518312845816 0.54865832548742 0.50000000000000 15.999 > 25 29 O 0.13518312845816 0.54865832548742 0.83333333333333 15.999 > 25 30 O 0.63518312845816 0.54865832548742 0.83333333333333 15.999 > 25 31 O 0.36481687154184 0.45134167451258 0.16666666666667 15.999 > 31 32 O 0.86481687154184 0.45134167451258 0.16666666666667 15.999 > 31 33 O 0.36481687154184 0.45134167451258 0.50000000000000 15.999 > 31 34 O 0.86481687154184 0.45134167451258 0.50000000000000 15.999 > 31 35 O 0.36481687154184 0.45134167451258 0.83333333333333 15.999 > 31 36 O 0.86481687154184 0.45134167451258 0.83333333333333 15.999 > 31 37 O 0.11481687154184 0.04865832548742 0.16666666666667 15.999 > 37 38 O 0.61481687154184 0.04865832548742 0.16666666666667 15.999 > 37 39 O 0.11481687154184 0.04865832548742 0.50000000000000 15.999 > 37 40 O 0.61481687154184 0.04865832548742 0.50000000000000 15.999 > 37 41 O 0.11481687154184 0.04865832548742 0.83333333333333 15.999 > 37 42 O 0.61481687154184 0.04865832548742 0.83333333333333 15.999 > 37 43 O 0.38518312845816 0.95134167451258 0.16666666666667 15.999 > 43 44 O 0.88518312845816 0.95134167451258 0.16666666666667 15.999 > 43 45 O 0.38518312845816 0.95134167451258 0.50000000000000 15.999 > 43 46 O 0.88518312845816 0.95134167451258 0.50000000000000 15.999 > 43 47 O 0.38518312845816 0.95134167451258 0.83333333333333 15.999 > 43 48 O 0.88518312845816 0.95134167451258 0.83333333333333 15.999 > 43 49 Ca 0.03559819324303 0.31811363590313 0.16666666666667 40.078 > 49 50 Ca 0.53559819324303 0.31811363590313 0.16666666666667 40.078 > 49 51 Ca 0.03559819324303 0.31811363590313 0.50000000000000 40.078 > 49 52 Ca 0.53559819324303 0.31811363590313 0.50000000000000 40.078 > 49 53 Ca 0.03559819324303 0.31811363590313 0.83333333333333 40.078 > 49 54 Ca 0.53559819324303 0.31811363590313 0.83333333333333 40.078 > 49 55 Ca 0.46440180675697 0.68188636409687 0.16666666666667 40.078 > 55 56 Ca 0.96440180675697 0.68188636409687 0.16666666666667 40.078 > 55 57 Ca 0.46440180675697 0.68188636409687 0.50000000000000 40.078 > 55 58 Ca 0.96440180675697 0.68188636409687 0.50000000000000 40.078 > 55 59 Ca 0.46440180675697 0.68188636409687 0.83333333333333 40.078 > 55 60 Ca 0.96440180675697 0.68188636409687 0.83333333333333 40.078 > 55 61 Ca 0.21440180675697 0.81811363590313 0.16666666666667 40.078 > 61 62 Ca 0.71440180675697 0.81811363590313 0.16666666666667 40.078 > 61 63 Ca 0.21440180675697 0.81811363590313 0.50000000000000 40.078 > 61 64 Ca 0.71440180675697 0.81811363590313 0.50000000000000 40.078 > 61 65 Ca 0.21440180675697 0.81811363590313 0.83333333333333 40.078 > 61 66 Ca 0.71440180675697 0.81811363590313 0.83333333333333 40.078 > 61 67 Ca 0.28559819324303 0.18188636409687 0.16666666666667 40.078 > 67 68 Ca 0.78559819324303 0.18188636409687 0.16666666666667 40.078 > 67 69 Ca 0.28559819324303 0.18188636409687 0.50000000000000 40.078 > 67 70 Ca 0.78559819324303 0.18188636409687 0.50000000000000 40.078 > 67 71 Ca 0.28559819324303 0.18188636409687 0.83333333333333 40.078 > 67 72 Ca 0.78559819324303 0.18188636409687 0.83333333333333 40.078 > 67 73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 73 75 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 73 76 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 73 77 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 73 78 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 73 79 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 79 80 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 79 81 Sn 0.25000000000000 0.50000000000000 0.33333333333333 118.710 > 79 82 Sn 0.75000000000000 0.50000000000000 0.33333333333333 118.710 > 79 83 Sn 0.25000000000000 0.50000000000000 0.66666666666667 118.710 > 79 84 Sn 0.75000000000000 0.50000000000000 0.66666666666667 118.710 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9776007 0.0000000 0.0000000 0.0000000 3.9119679 0.0000000 0.0000000 0.0000000 4.1290352 -------------------------- Born effective charges -------------------------- 1 O -2.0249109 0.0355539 0.0000000 0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 2 O -2.0249109 0.0355539 0.0000000 0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 3 O -2.0249109 -0.0355539 0.0000000 -0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 4 O -2.0249109 -0.0355539 0.0000000 -0.1261857 -2.1322841 0.0000000 0.0000000 0.0000000 -2.1687895 5 O -2.2172425 0.2148822 0.0000000 0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 6 O -2.2172425 0.2148822 0.0000000 0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 7 O -2.2172425 -0.2148822 0.0000000 -0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 8 O -2.2172425 -0.2148822 0.0000000 -0.2180399 -1.9310137 0.0000000 0.0000000 0.0000000 -2.3149801 9 Ca 2.7092296 0.1461142 0.0000000 0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 10 Ca 2.7092296 0.1461142 0.0000000 0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 11 Ca 2.7092296 -0.1461142 0.0000000 -0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 12 Ca 2.7092296 -0.1461142 0.0000000 -0.3177409 2.2617608 0.0000000 0.0000000 0.0000000 2.1886762 13 Sn 3.0658477 -0.0572157 0.0000000 -0.0585156 3.6030741 0.0000000 0.0000000 0.0000000 4.5901870 14 Sn 3.0658477 0.0572157 0.0000000 0.0585156 3.6030741 0.0000000 0.0000000 0.0000000 4.5901870 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 15 ] 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: 0.73, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.424 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 13.873 ( 0.000 0.000 0.000) 0.000 15.741 ( 0.000 0.000 0.000) 0.000 16.491 ( 0.000 0.000 0.000) 0.000 17.294 ( 0.000 0.000 0.000) 0.000 17.743 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 31.601 0.000 0.000) 31.601 0.753 ( 38.385 0.000 0.000) 38.385 1.378 ( 69.586 0.000 0.000) 69.586 3.105 ( -2.532 0.000 0.000) 2.532 3.369 ( 2.506 0.000 0.000) 2.506 3.900 ( -19.343 0.000 0.000) 19.343 4.075 ( 5.325 0.000 0.000) 5.325 4.235 ( -8.854 0.000 0.000) 8.854 4.710 ( 0.735 0.000 0.000) 0.735 5.440 ( 32.856 0.000 0.000) 32.856 5.492 ( -3.992 0.000 0.000) 3.992 5.565 ( -5.439 0.000 0.000) 5.439 6.036 ( -17.739 0.000 0.000) 17.739 6.295 ( -15.242 0.000 0.000) 15.242 6.692 ( -5.444 0.000 0.000) 5.444 7.690 ( -1.186 0.000 0.000) 1.186 8.057 ( 1.023 0.000 0.000) 1.023 8.215 ( 12.589 0.000 0.000) 12.589 8.839 ( -2.978 0.000 0.000) 2.978 9.648 ( -2.923 0.000 0.000) 2.923 9.907 ( -1.942 0.000 0.000) 1.942 9.920 ( 0.187 0.000 0.000) 0.187 9.992 ( 6.727 0.000 0.000) 6.727 10.156 ( -0.635 0.000 0.000) 0.635 10.665 ( -1.649 0.000 0.000) 1.649 10.882 ( -0.475 0.000 0.000) 0.475 11.058 ( -11.836 0.000 0.000) 11.836 11.250 ( -1.382 0.000 0.000) 1.382 11.292 ( 7.345 0.000 0.000) 7.345 11.871 ( 1.481 0.000 0.000) 1.481 12.160 ( -0.609 0.000 0.000) 0.609 12.419 ( -0.314 0.000 0.000) 0.314 12.787 ( -1.510 0.000 0.000) 1.510 13.594 ( -14.341 0.000 0.000) 14.341 13.734 ( 5.068 0.000 0.000) 5.068 14.015 ( 7.391 0.000 0.000) 7.391 15.817 ( 7.616 0.000 0.000) 7.616 16.565 ( 7.401 0.000 0.000) 7.401 17.281 ( -1.310 0.000 0.000) 1.310 17.666 ( -3.263 0.000 0.000) 3.263 17.930 ( -1.568 0.000 0.000) 1.568 18.108 ( -2.577 0.000 0.000) 2.577 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 29.908 0.000 0.000) 29.908 1.479 ( 36.116 0.000 0.000) 36.116 2.643 ( 57.220 0.000 0.000) 57.220 3.026 ( -5.792 0.000 0.000) 5.792 3.417 ( 2.105 0.000 0.000) 2.105 3.653 ( -2.456 0.000 0.000) 2.456 4.005 ( -13.466 0.000 0.000) 13.466 4.223 ( 9.666 0.000 0.000) 9.666 4.734 ( 1.889 0.000 0.000) 1.889 5.380 ( -7.390 0.000 0.000) 7.390 5.415 ( -9.662 0.000 0.000) 9.662 5.614 ( -22.420 0.000 0.000) 22.420 5.993 ( -15.418 0.000 0.000) 15.418 6.126 ( 34.771 0.000 0.000) 34.771 6.445 ( -18.685 0.000 0.000) 18.685 7.659 ( -1.324 0.000 0.000) 1.324 8.077 ( 0.088 0.000 0.000) 0.088 8.508 ( 16.288 0.000 0.000) 16.288 8.732 ( -8.960 0.000 0.000) 8.960 9.613 ( -0.408 0.000 0.000) 0.408 9.824 ( -7.035 0.000 0.000) 7.035 9.914 ( -1.084 0.000 0.000) 1.084 10.125 ( 6.224 0.000 0.000) 6.224 10.148 ( 0.070 0.000 0.000) 0.070 10.618 ( -3.115 0.000 0.000) 3.115 10.776 ( -15.194 0.000 0.000) 15.194 10.878 ( 0.304 0.000 0.000) 0.304 11.210 ( -2.697 0.000 0.000) 2.697 11.496 ( 13.211 0.000 0.000) 13.211 11.911 ( 2.478 0.000 0.000) 2.478 12.142 ( -1.242 0.000 0.000) 1.242 12.418 ( 0.302 0.000 0.000) 0.302 12.743 ( -2.997 0.000 0.000) 2.997 13.282 ( -17.491 0.000 0.000) 17.491 13.862 ( 7.578 0.000 0.000) 7.578 14.133 ( 4.612 0.000 0.000) 4.612 16.022 ( 13.069 0.000 0.000) 13.069 16.762 ( 12.310 0.000 0.000) 12.310 17.245 ( -2.504 0.000 0.000) 2.504 17.573 ( -6.033 0.000 0.000) 6.033 17.885 ( -2.985 0.000 0.000) 2.985 18.034 ( -4.959 0.000 0.000) 4.959 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 26.768 0.000 0.000) 26.768 2.137 ( 31.206 0.000 0.000) 31.206 2.872 ( -10.349 0.000 0.000) 10.349 3.210 ( 0.358 0.000 0.000) 0.358 3.457 ( 2.733 0.000 0.000) 2.733 3.786 ( -6.415 0.000 0.000) 6.415 4.105 ( 44.924 0.000 0.000) 44.924 4.440 ( 12.424 0.000 0.000) 12.424 4.788 ( 3.788 0.000 0.000) 3.788 5.200 ( -11.965 0.000 0.000) 11.965 5.216 ( -9.439 0.000 0.000) 9.439 5.217 ( -15.868 0.000 0.000) 15.868 5.669 ( -19.590 0.000 0.000) 19.590 6.049 ( -20.054 0.000 0.000) 20.054 6.774 ( 31.421 0.000 0.000) 31.421 7.666 ( 2.635 0.000 0.000) 2.635 8.029 ( -5.385 0.000 0.000) 5.385 8.454 ( -20.100 0.000 0.000) 20.100 8.820 ( 15.722 0.000 0.000) 15.722 9.634 ( 2.445 0.000 0.000) 2.445 9.637 ( -11.591 0.000 0.000) 11.591 9.870 ( -3.417 0.000 0.000) 3.417 10.166 ( 1.699 0.000 0.000) 1.699 10.215 ( 2.813 0.000 0.000) 2.813 10.539 ( -8.228 0.000 0.000) 8.228 10.550 ( -3.642 0.000 0.000) 3.642 10.904 ( 2.530 0.000 0.000) 2.530 11.146 ( -3.862 0.000 0.000) 3.862 11.789 ( 16.630 0.000 0.000) 16.630 11.963 ( 2.873 0.000 0.000) 2.873 12.112 ( -1.875 0.000 0.000) 1.875 12.429 ( 0.682 0.000 0.000) 0.682 12.675 ( -3.875 0.000 0.000) 3.875 12.931 ( -18.242 0.000 0.000) 18.242 14.008 ( 7.079 0.000 0.000) 7.079 14.192 ( 1.424 0.000 0.000) 1.424 16.311 ( 16.351 0.000 0.000) 16.351 17.017 ( 13.227 0.000 0.000) 13.227 17.160 ( -7.306 0.000 0.000) 7.306 17.457 ( -4.974 0.000 0.000) 4.974 17.820 ( -3.430 0.000 0.000) 3.430 17.921 ( -6.462 0.000 0.000) 6.462 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 22.011 0.000 0.000) 22.011 2.617 ( -16.115 0.000 0.000) 16.115 2.664 ( 22.704 0.000 0.000) 22.704 3.027 ( -15.135 0.000 0.000) 15.135 3.557 ( 7.830 0.000 0.000) 7.830 3.707 ( -5.352 0.000 0.000) 5.352 4.693 ( 13.497 0.000 0.000) 13.497 4.848 ( 22.896 0.000 0.000) 22.896 4.886 ( 6.409 0.000 0.000) 6.409 4.954 ( -13.217 0.000 0.000) 13.217 5.036 ( -8.839 0.000 0.000) 8.839 5.189 ( 19.607 0.000 0.000) 19.607 5.238 ( -22.538 0.000 0.000) 22.538 5.664 ( -21.887 0.000 0.000) 21.887 7.347 ( 28.207 0.000 0.000) 28.207 7.774 ( 8.465 0.000 0.000) 8.465 7.836 ( -17.685 0.000 0.000) 17.685 8.016 ( -19.680 0.000 0.000) 19.680 9.117 ( 14.834 0.000 0.000) 14.834 9.393 ( -13.509 0.000 0.000) 13.509 9.701 ( 4.263 0.000 0.000) 4.263 9.790 ( -4.631 0.000 0.000) 4.631 10.205 ( 2.085 0.000 0.000) 2.085 10.234 ( -0.573 0.000 0.000) 0.573 10.458 ( -0.717 0.000 0.000) 0.717 10.485 ( -2.821 0.000 0.000) 2.821 10.973 ( 4.381 0.000 0.000) 4.381 11.063 ( -4.633 0.000 0.000) 4.633 12.019 ( 2.803 0.000 0.000) 2.803 12.070 ( -2.429 0.000 0.000) 2.429 12.125 ( 17.540 0.000 0.000) 17.540 12.404 ( -6.975 0.000 0.000) 6.975 12.604 ( -2.958 0.000 0.000) 2.958 12.626 ( -9.384 0.000 0.000) 9.384 14.124 ( 4.759 0.000 0.000) 4.759 14.188 ( -1.762 0.000 0.000) 1.762 16.638 ( 16.941 0.000 0.000) 16.941 16.946 ( -14.176 0.000 0.000) 14.176 17.248 ( 9.885 0.000 0.000) 9.885 17.381 ( -4.144 0.000 0.000) 4.144 17.770 ( -1.019 0.000 0.000) 1.019 17.805 ( -4.636 0.000 0.000) 4.636 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 37.762 0.000) 37.762 0.833 ( 0.000 39.502 0.000) 39.502 1.254 ( 0.000 59.339 0.000) 59.339 2.875 ( 0.000 -21.647 0.000) 21.647 3.062 ( 0.000 -33.740 0.000) 33.740 4.133 ( 0.000 -19.620 0.000) 19.620 4.164 ( 0.000 10.787 0.000) 10.787 4.668 ( 0.000 -3.396 0.000) 3.396 4.691 ( 0.000 32.946 0.000) 32.946 4.907 ( 0.000 3.952 0.000) 3.952 5.540 ( 0.000 0.778 0.000) 0.778 5.610 ( 0.000 -0.776 0.000) 0.776 6.042 ( 0.000 -16.506 0.000) 16.506 6.535 ( 0.000 -16.474 0.000) 16.474 7.361 ( 0.000 8.044 0.000) 8.044 7.561 ( 0.000 5.568 0.000) 5.568 8.043 ( 0.000 -1.094 0.000) 1.094 8.055 ( 0.000 -2.658 0.000) 2.658 9.686 ( 0.000 -0.383 0.000) 0.383 9.801 ( 0.000 -4.765 0.000) 4.765 9.926 ( 0.000 0.554 0.000) 0.554 9.932 ( 0.000 0.816 0.000) 0.816 10.037 ( 0.000 5.725 0.000) 5.725 10.179 ( 0.000 1.068 0.000) 1.068 10.560 ( 0.000 7.622 0.000) 7.622 10.903 ( 0.000 1.570 0.000) 1.570 10.952 ( 0.000 5.973 0.000) 5.973 11.158 ( 0.000 -5.928 0.000) 5.928 11.201 ( 0.000 -5.373 0.000) 5.373 11.440 ( 0.000 -4.485 0.000) 4.485 11.905 ( 0.000 4.088 0.000) 4.088 12.146 ( 0.000 -1.910 0.000) 1.910 13.509 ( 0.000 -5.971 0.000) 5.971 13.667 ( 0.000 -6.912 0.000) 6.912 13.989 ( 0.000 7.016 0.000) 7.016 14.083 ( 0.000 18.020 0.000) 18.020 14.406 ( 0.000 0.476 0.000) 0.476 15.576 ( 0.000 -15.205 0.000) 15.205 17.313 ( 0.000 1.841 0.000) 1.841 17.601 ( 0.000 -8.018 0.000) 8.018 18.148 ( 0.000 13.410 0.000) 13.410 18.767 ( 0.000 -4.289 0.000) 4.289 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 24.756 24.366 0.000) 34.736 1.026 ( 17.822 30.899 0.000) 35.670 1.881 ( 50.574 39.820 0.000) 64.369 2.874 ( -0.256 -20.009 0.000) 20.010 3.023 ( -1.824 -30.308 0.000) 30.363 4.076 ( -6.507 -1.462 0.000) 6.669 4.199 ( 3.695 9.766 0.000) 10.441 4.293 ( -17.780 16.084 0.000) 23.976 4.676 ( 0.844 -3.288 0.000) 3.395 5.370 ( 27.918 1.767 0.000) 27.974 5.499 ( -4.128 0.648 0.000) 4.179 5.558 ( -5.299 -0.645 0.000) 5.338 5.728 ( -20.999 -18.561 0.000) 28.026 6.628 ( -9.443 -2.755 0.000) 9.837 7.109 ( -23.979 27.774 0.000) 36.693 7.466 ( 9.895 -7.021 0.000) 12.133 7.966 ( -4.219 -5.242 0.000) 6.729 8.101 ( 4.216 -3.832 0.000) 5.697 9.394 ( -14.934 29.233 0.000) 32.826 9.652 ( -2.201 0.529 0.000) 2.264 9.830 ( 1.920 -5.220 0.000) 5.562 9.925 ( -3.283 1.415 0.000) 3.575 10.076 ( 3.711 4.706 0.000) 5.993 10.174 ( -0.433 1.322 0.000) 1.391 10.712 ( -2.309 3.788 0.000) 4.437 10.899 ( -0.276 1.749 0.000) 1.771 10.933 ( -5.206 -8.592 0.000) 10.046 11.193 ( -0.848 -4.969 0.000) 5.040 11.294 ( 6.432 -0.425 0.000) 6.446 11.801 ( 20.966 -25.675 0.000) 33.148 11.915 ( 1.002 3.715 0.000) 3.848 12.141 ( -0.522 -1.827 0.000) 1.901 13.256 ( -15.741 15.154 0.000) 21.850 13.495 ( -7.676 -4.459 0.000) 8.877 13.884 ( -0.761 10.263 0.000) 10.291 14.196 ( 7.119 16.158 0.000) 17.657 15.297 ( 38.430 -45.090 0.000) 59.245 15.740 ( 19.166 -21.035 0.000) 28.457 17.319 ( 0.680 2.163 0.000) 2.267 17.595 ( -0.601 -6.940 0.000) 6.965 18.104 ( -4.603 13.219 0.000) 13.998 18.522 ( -16.521 10.397 0.000) 19.520 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 23.304 19.349 0.000) 30.289 1.593 ( 32.183 11.540 0.000) 34.189 2.853 ( -2.244 -15.506 0.000) 15.668 2.909 ( 48.809 23.231 0.000) 54.056 3.050 ( 6.423 -26.118 0.000) 26.896 3.900 ( -8.115 16.932 0.000) 18.776 4.072 ( -7.706 3.962 0.000) 8.665 4.307 ( 7.387 7.075 0.000) 10.229 4.703 ( 2.066 -2.995 0.000) 3.638 5.312 ( -21.603 -22.018 0.000) 30.846 5.384 ( -7.585 0.329 0.000) 7.592 5.412 ( -9.420 -0.294 0.000) 9.424 5.862 ( 18.516 -9.446 0.000) 20.787 6.241 ( -21.131 7.168 0.000) 22.314 6.813 ( -7.530 23.223 0.000) 24.414 7.647 ( 4.606 1.129 0.000) 4.742 7.957 ( 3.277 -12.180 0.000) 12.613 8.207 ( 6.927 -10.764 0.000) 12.800 9.177 ( -12.216 24.226 0.000) 27.131 9.627 ( -0.121 1.436 0.000) 1.441 9.822 ( -7.962 -0.536 0.000) 7.980 9.853 ( 0.268 -4.702 0.000) 4.710 10.155 ( 2.815 1.701 0.000) 3.288 10.170 ( 1.243 2.075 0.000) 2.419 10.631 ( -5.301 0.896 0.000) 5.377 10.749 ( -9.920 -2.176 0.000) 10.156 10.899 ( 0.521 2.118 0.000) 2.181 11.168 ( -1.812 -3.842 0.000) 4.248 11.493 ( 13.385 0.287 0.000) 13.388 11.942 ( 1.760 2.754 0.000) 3.268 12.068 ( 9.270 -20.034 0.000) 22.075 12.126 ( -1.063 -1.577 0.000) 1.902 13.015 ( -10.721 12.805 0.000) 16.701 13.258 ( -15.625 -1.741 0.000) 15.721 13.970 ( 7.820 10.743 0.000) 13.288 14.312 ( 4.439 15.376 0.000) 16.004 15.734 ( 16.320 -26.199 0.000) 30.866 16.179 ( 19.444 -34.035 0.000) 39.197 17.347 ( 2.399 3.675 0.000) 4.389 17.579 ( -0.925 -3.174 0.000) 3.306 17.977 ( -8.011 11.704 0.000) 14.183 18.262 ( -10.866 10.894 0.000) 15.387 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 22.444 10.908 0.000) 24.955 2.206 ( 30.115 6.868 0.000) 30.888 2.772 ( -6.542 -9.309 0.000) 11.378 3.218 ( 12.229 -16.942 0.000) 20.894 3.385 ( -5.706 13.781 0.000) 14.916 3.936 ( -6.618 10.948 0.000) 12.793 4.143 ( 34.353 4.023 0.000) 34.587 4.482 ( 10.472 3.809 0.000) 11.143 4.760 ( 3.879 -2.640 0.000) 4.692 4.918 ( -17.440 -23.146 0.000) 28.981 5.204 ( -11.536 0.282 0.000) 11.540 5.216 ( -9.568 -0.030 0.000) 9.568 5.805 ( -16.673 8.009 0.000) 18.497 6.029 ( -5.761 -3.049 0.000) 6.518 6.955 ( 20.343 16.141 0.000) 25.968 7.681 ( 1.508 2.098 0.000) 2.584 7.979 ( -2.995 -5.105 0.000) 5.918 8.347 ( 3.401 -11.506 0.000) 11.998 8.894 ( -12.969 8.947 0.000) 15.756 9.590 ( -15.848 -5.212 0.000) 16.683 9.649 ( 2.257 1.490 0.000) 2.704 9.837 ( -1.983 -2.941 0.000) 3.547 10.173 ( 1.083 0.757 0.000) 1.321 10.221 ( 1.736 0.310 0.000) 1.763 10.534 ( -2.697 2.540 0.000) 3.705 10.637 ( -2.946 4.238 0.000) 5.161 10.926 ( 2.341 2.104 0.000) 3.148 11.122 ( -2.834 -2.225 0.000) 3.603 11.785 ( 16.262 0.100 0.000) 16.262 11.980 ( 2.164 1.553 0.000) 2.664 12.100 ( -1.588 -1.140 0.000) 1.955 12.218 ( 6.688 -13.480 0.000) 15.048 12.815 ( -9.909 7.116 0.000) 12.199 12.931 ( -17.293 0.059 0.000) 17.293 14.132 ( 8.114 12.103 0.000) 14.571 14.363 ( 0.868 14.720 0.000) 14.746 16.044 ( 15.662 -22.336 0.000) 27.280 16.442 ( 7.732 -32.267 0.000) 33.180 17.416 ( 4.495 5.400 0.000) 7.026 17.573 ( 0.841 5.431 0.000) 5.496 17.814 ( -8.193 6.599 0.000) 10.520 18.068 ( -9.712 7.767 0.000) 12.436 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 18.317 3.977 0.000) 18.744 2.589 ( -12.432 -2.649 0.000) 12.711 2.732 ( 23.582 6.110 0.000) 24.361 3.119 ( -16.737 6.427 0.000) 17.929 3.507 ( 15.092 -2.066 0.000) 15.233 3.776 ( -11.248 6.443 0.000) 12.962 4.610 ( 9.064 -16.961 0.000) 19.231 4.703 ( 11.862 0.920 0.000) 11.898 4.726 ( -3.387 -24.557 0.000) 24.789 4.846 ( 3.201 -2.905 0.000) 4.323 4.982 ( -9.196 1.779 0.000) 9.366 5.035 ( -8.579 -0.088 0.000) 8.579 5.644 ( 4.879 18.889 0.000) 19.509 5.860 ( -11.563 12.322 0.000) 16.898 7.410 ( 23.431 5.696 0.000) 24.113 7.722 ( -2.752 -3.257 0.000) 4.264 7.881 ( -0.661 3.456 0.000) 3.519 8.132 ( -20.212 9.830 0.000) 22.476 8.922 ( 13.283 -15.752 0.000) 20.605 9.246 ( -18.416 -12.944 0.000) 22.510 9.708 ( 3.643 0.720 0.000) 3.713 9.781 ( -3.564 -0.824 0.000) 3.658 10.202 ( 1.713 -0.192 0.000) 1.724 10.229 ( -0.768 -0.521 0.000) 0.928 10.538 ( 2.177 6.929 0.000) 7.263 10.588 ( -2.562 7.106 0.000) 7.554 10.986 ( 3.649 1.178 0.000) 3.835 11.059 ( -3.639 -0.427 0.000) 3.664 12.024 ( 2.226 0.422 0.000) 2.266 12.065 ( -2.008 -0.484 0.000) 2.065 12.105 ( 15.894 -1.578 0.000) 15.973 12.303 ( -0.732 -7.573 0.000) 7.608 12.632 ( -8.792 1.709 0.000) 8.957 12.648 ( -8.108 1.695 0.000) 8.284 14.267 ( 5.625 13.149 0.000) 14.302 14.347 ( -2.505 13.957 0.000) 14.180 16.320 ( 12.047 -24.370 0.000) 27.185 16.480 ( -3.627 -29.069 0.000) 29.294 17.503 ( 4.420 7.785 0.000) 8.952 17.588 ( -2.682 16.832 0.000) 17.045 17.729 ( 3.188 -2.173 0.000) 3.859 17.879 ( -9.587 4.727 0.000) 10.689 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 37.155 0.000) 37.155 1.621 ( 0.000 36.299 0.000) 36.299 2.292 ( 0.000 -19.250 0.000) 19.250 2.320 ( 0.000 -30.895 0.000) 30.895 2.472 ( 0.000 36.859 0.000) 36.859 3.457 ( 0.000 -42.850 0.000) 42.850 4.387 ( 0.000 9.981 0.000) 9.981 4.562 ( 0.000 -6.818 0.000) 6.818 5.166 ( 0.000 18.857 0.000) 18.857 5.378 ( 0.000 30.547 0.000) 30.547 5.562 ( 0.000 1.254 0.000) 1.254 5.588 ( 0.000 -1.253 0.000) 1.253 5.630 ( 0.000 -19.678 0.000) 19.678 6.050 ( 0.000 -28.712 0.000) 28.712 7.562 ( 0.000 9.144 0.000) 9.144 7.653 ( 0.000 1.320 0.000) 1.320 7.990 ( 0.000 -2.375 0.000) 2.375 7.999 ( 0.000 -2.510 0.000) 2.510 9.687 ( 0.000 0.717 0.000) 0.717 9.722 ( 0.000 -2.760 0.000) 2.760 9.939 ( 0.000 0.588 0.000) 0.588 9.944 ( 0.000 0.193 0.000) 0.193 10.139 ( 0.000 3.818 0.000) 3.818 10.187 ( 0.000 -0.749 0.000) 0.749 10.761 ( 0.000 11.053 0.000) 11.053 10.961 ( 0.000 4.202 0.000) 4.202 10.987 ( 0.000 -10.115 0.000) 10.115 11.073 ( 0.000 -6.316 0.000) 6.316 11.117 ( 0.000 9.255 0.000) 9.255 11.305 ( 0.000 -8.296 0.000) 8.296 12.000 ( 0.000 4.723 0.000) 4.723 12.088 ( 0.000 -3.622 0.000) 3.622 13.463 ( 0.000 1.159 0.000) 1.159 13.536 ( 0.000 -5.375 0.000) 5.375 14.129 ( 0.000 6.308 0.000) 6.308 14.235 ( 0.000 -2.940 0.000) 2.940 14.659 ( 0.000 23.003 0.000) 23.003 15.160 ( 0.000 -23.583 0.000) 23.583 17.369 ( 0.000 3.563 0.000) 3.563 17.462 ( 0.000 -5.461 0.000) 5.461 18.419 ( 0.000 12.112 0.000) 12.112 18.635 ( 0.000 -8.507 0.000) 8.507 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 9.627 32.908 0.000) 34.287 1.707 ( 8.462 33.103 0.000) 34.167 2.326 ( 3.249 -32.966 0.000) 33.126 2.356 ( 3.453 -28.948 0.000) 29.153 2.801 ( 30.973 43.499 0.000) 53.399 3.640 ( 16.347 -34.339 0.000) 38.032 4.407 ( 2.053 9.435 0.000) 9.655 4.574 ( 1.221 -6.555 0.000) 6.668 4.770 ( -25.037 24.531 0.000) 35.052 5.269 ( -23.155 -22.788 0.000) 32.488 5.517 ( -4.486 1.044 0.000) 4.606 5.540 ( -4.933 -1.043 0.000) 5.042 5.677 ( 13.169 23.307 0.000) 26.770 6.239 ( 6.254 -27.688 0.000) 28.386 7.429 ( -12.043 10.890 0.000) 16.237 7.566 ( -4.474 1.591 0.000) 4.748 7.911 ( -4.985 2.094 0.000) 5.406 8.012 ( 0.892 -5.173 0.000) 5.249 9.676 ( -0.610 1.915 0.000) 2.010 9.735 ( 0.990 -3.796 0.000) 3.923 9.802 ( -7.715 11.355 0.000) 13.728 9.931 ( -4.703 -2.061 0.000) 5.135 10.157 ( 1.665 2.901 0.000) 3.345 10.190 ( 0.310 -0.213 0.000) 0.376 10.776 ( -3.711 2.356 0.000) 4.396 10.826 ( -8.474 -2.157 0.000) 8.744 10.961 ( 0.053 4.315 0.000) 4.315 11.072 ( -0.105 -6.097 0.000) 6.098 11.302 ( 10.459 2.769 0.000) 10.819 11.446 ( 14.359 -11.131 0.000) 18.168 12.003 ( 0.265 4.420 0.000) 4.428 12.086 ( -0.246 -3.442 0.000) 3.451 13.399 ( -8.108 2.527 0.000) 8.493 13.440 ( -7.992 -1.785 0.000) 8.189 14.138 ( 4.326 14.015 0.000) 14.667 14.421 ( 11.405 -7.464 0.000) 13.630 14.849 ( 18.604 9.819 0.000) 21.036 15.284 ( 12.047 -23.876 0.000) 26.743 17.379 ( 1.084 3.624 0.000) 3.782 17.469 ( 0.798 -5.146 0.000) 5.207 18.365 ( -5.418 11.254 0.000) 12.490 18.543 ( -8.400 -5.263 0.000) 9.912 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 13.013 25.467 0.000) 28.599 1.951 ( 22.170 22.280 0.000) 31.430 2.439 ( 4.604 -23.430 0.000) 23.878 2.476 ( 12.859 -27.558 0.000) 30.410 3.481 ( 34.316 28.872 0.000) 44.846 3.969 ( 14.581 -14.801 0.000) 20.777 4.328 ( -18.970 22.001 0.000) 29.050 4.469 ( 4.412 7.796 0.000) 8.958 4.612 ( 2.761 -5.781 0.000) 6.406 4.813 ( -22.778 -24.512 0.000) 33.462 5.393 ( -8.115 0.515 0.000) 8.132 5.404 ( -8.814 -0.493 0.000) 8.828 5.856 ( 5.359 9.153 0.000) 10.606 6.141 ( -13.288 -14.026 0.000) 19.321 7.258 ( -2.546 19.163 0.000) 19.332 7.609 ( 8.022 -14.023 0.000) 16.155 7.826 ( -3.135 8.614 0.000) 9.167 8.030 ( 0.406 -8.888 0.000) 8.897 9.586 ( -16.737 14.433 0.000) 22.101 9.674 ( 0.480 3.066 0.000) 3.103 9.753 ( 0.834 -4.541 0.000) 4.617 9.776 ( -12.361 -4.720 0.000) 13.232 10.188 ( 0.902 1.349 0.000) 1.622 10.200 ( 1.016 0.391 0.000) 1.088 10.651 ( -5.547 1.542 0.000) 5.758 10.700 ( -3.953 -2.633 0.000) 4.749 10.967 ( 0.604 4.313 0.000) 4.355 11.069 ( -0.261 -5.251 0.000) 5.257 11.542 ( 13.866 5.188 0.000) 14.805 11.725 ( 13.433 -12.684 0.000) 18.475 12.010 ( 0.485 3.551 0.000) 3.584 12.079 ( -0.502 -2.901 0.000) 2.944 13.179 ( -13.281 3.998 0.000) 13.869 13.226 ( -13.878 -1.417 0.000) 13.950 14.291 ( 9.784 19.005 0.000) 21.376 14.583 ( 5.625 0.920 0.000) 5.699 15.259 ( 20.936 -6.054 0.000) 21.794 15.572 ( 15.685 -25.736 0.000) 30.139 17.417 ( 3.016 3.556 0.000) 4.663 17.497 ( 2.227 -4.077 0.000) 4.646 18.221 ( -9.078 10.047 0.000) 13.540 18.352 ( -10.589 -1.815 0.000) 10.743 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 12.811 16.032 0.000) 20.522 2.431 ( 25.825 14.820 0.000) 29.776 2.512 ( 2.299 -15.082 0.000) 15.257 2.803 ( 19.280 -20.375 0.000) 28.051 3.800 ( -6.971 23.925 0.000) 24.920 4.129 ( 1.651 3.977 0.000) 4.306 4.232 ( 10.959 2.817 0.000) 11.315 4.398 ( -19.855 -23.769 0.000) 30.971 4.580 ( 7.013 5.219 0.000) 8.742 4.684 ( 4.701 -4.560 0.000) 6.549 5.210 ( -10.686 0.289 0.000) 10.690 5.215 ( -9.976 -0.141 0.000) 9.977 5.907 ( -5.068 2.101 0.000) 5.487 5.949 ( 4.096 -3.198 0.000) 5.197 7.350 ( 10.353 20.082 0.000) 22.594 7.696 ( -1.235 -8.563 0.000) 8.652 7.871 ( 6.475 2.038 0.000) 6.788 8.062 ( 6.308 -13.142 0.000) 14.578 9.150 ( -26.752 13.849 0.000) 30.124 9.416 ( -23.817 -11.187 0.000) 26.313 9.695 ( 1.589 2.881 0.000) 3.290 9.764 ( 0.198 -3.689 0.000) 3.694 10.195 ( 0.246 1.267 0.000) 1.291 10.218 ( 0.391 -0.716 0.000) 0.816 10.620 ( 1.808 4.611 0.000) 4.953 10.681 ( 1.000 -0.533 0.000) 1.133 10.986 ( 1.372 3.477 0.000) 3.738 11.061 ( -0.608 -3.522 0.000) 3.575 11.821 ( 14.659 4.079 0.000) 15.216 11.968 ( 11.640 -9.962 0.000) 15.321 12.022 ( 0.660 2.246 0.000) 2.341 12.067 ( -0.722 -2.000 0.000) 2.126 12.910 ( -13.877 2.361 0.000) 14.077 12.932 ( -15.622 -0.167 0.000) 15.623 14.470 ( 8.061 18.092 0.000) 19.807 14.653 ( 1.780 6.577 0.000) 6.814 15.618 ( 15.632 -10.323 0.000) 18.734 15.827 ( 9.638 -24.925 0.000) 26.723 17.498 ( 5.247 3.474 0.000) 6.293 17.566 ( 5.109 -2.872 0.000) 5.861 18.029 ( -10.181 9.617 0.000) 14.006 18.144 ( -10.742 -0.984 0.000) 10.787 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 8.799 5.750 0.000) 10.511 2.509 ( -2.887 -4.937 0.000) 5.719 2.897 ( 20.416 9.414 0.000) 22.482 3.097 ( 4.605 -8.421 0.000) 9.598 3.671 ( 2.273 17.604 0.000) 17.750 3.940 ( -19.398 5.220 0.000) 20.088 4.210 ( 2.088 -17.384 0.000) 17.509 4.306 ( -4.397 -14.917 0.000) 15.552 4.733 ( 8.062 2.008 0.000) 8.308 4.784 ( 4.424 -2.870 0.000) 5.274 5.013 ( -8.014 1.158 0.000) 8.097 5.030 ( -8.109 -0.475 0.000) 8.122 5.951 ( 7.122 9.808 0.000) 12.121 6.027 ( 1.012 2.599 0.000) 2.789 7.543 ( 7.178 6.033 0.000) 9.376 7.647 ( -3.979 -4.171 0.000) 5.765 8.027 ( 14.383 11.449 0.000) 18.384 8.266 ( 4.483 -4.526 0.000) 6.371 8.681 ( -12.012 1.134 0.000) 12.066 8.927 ( -24.433 -16.274 0.000) 29.357 9.730 ( 1.803 1.266 0.000) 2.203 9.758 ( -0.950 -1.342 0.000) 1.644 10.203 ( 0.550 0.327 0.000) 0.640 10.215 ( -0.556 -0.748 0.000) 0.932 10.673 ( 2.614 4.717 0.000) 5.393 10.698 ( 0.112 2.488 0.000) 2.491 11.016 ( 1.602 1.521 0.000) 2.209 11.044 ( -1.179 -1.065 0.000) 1.589 12.036 ( 0.790 0.722 0.000) 1.071 12.052 ( -0.827 -0.761 0.000) 1.124 12.088 ( 11.447 0.709 0.000) 11.469 12.155 ( 5.741 -5.749 0.000) 8.124 12.664 ( -9.483 1.183 0.000) 9.557 12.673 ( -9.303 0.442 0.000) 9.314 14.594 ( 4.768 14.881 0.000) 15.626 14.655 ( -1.518 10.984 0.000) 11.088 15.852 ( 8.209 -15.010 0.000) 17.108 15.927 ( 0.574 -20.582 0.000) 20.590 17.617 ( 6.754 3.805 0.000) 7.752 17.680 ( 4.305 -2.506 0.000) 4.981 17.858 ( -5.153 8.535 0.000) 9.970 17.942 ( -9.680 0.169 0.000) 9.681 ======================= Grid point 45 (16/120) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 0.000 29.487) 29.487 0.813 ( 0.000 0.000 39.422) 39.422 1.466 ( 0.000 0.000 70.907) 70.907 3.324 ( 0.000 0.000 -1.001) 1.001 3.337 ( 0.000 0.000 19.010) 19.010 3.871 ( 0.000 0.000 -7.723) 7.723 4.297 ( 0.000 0.000 9.632) 9.632 4.526 ( 0.000 0.000 8.523) 8.523 5.002 ( 0.000 0.000 24.306) 24.306 5.087 ( 0.000 0.000 22.190) 22.190 5.702 ( 0.000 0.000 15.948) 15.948 5.722 ( 0.000 0.000 9.695) 9.695 6.217 ( 0.000 0.000 -1.012) 1.012 6.458 ( 0.000 0.000 -3.699) 3.699 6.738 ( 0.000 0.000 4.653) 4.653 7.240 ( 0.000 0.000 -4.192) 4.192 8.064 ( 0.000 0.000 1.482) 1.482 8.077 ( 0.000 0.000 -0.463) 0.463 8.795 ( 0.000 0.000 -6.541) 6.541 9.805 ( 0.000 0.000 10.472) 10.472 9.832 ( 0.000 0.000 -6.738) 6.738 9.843 ( 0.000 0.000 -7.213) 7.213 10.018 ( 0.000 0.000 9.808) 9.808 10.375 ( 0.000 0.000 -32.856) 32.856 10.669 ( 0.000 0.000 16.517) 16.517 10.947 ( 0.000 0.000 3.442) 3.442 11.138 ( 0.000 0.000 -2.185) 2.185 11.189 ( 0.000 0.000 -3.022) 3.022 11.612 ( 0.000 0.000 17.564) 17.564 11.857 ( 0.000 0.000 -0.030) 0.030 12.176 ( 0.000 0.000 1.191) 1.191 12.380 ( 0.000 0.000 -4.043) 4.043 13.736 ( 0.000 0.000 -6.530) 6.530 13.742 ( 0.000 0.000 5.817) 5.817 13.815 ( 0.000 0.000 -5.707) 5.707 13.877 ( 0.000 0.000 8.916) 8.916 15.712 ( 0.000 0.000 -2.634) 2.634 16.479 ( 0.000 0.000 -1.148) 1.148 17.237 ( 0.000 0.000 -5.462) 5.462 17.329 ( 0.000 0.000 -3.052) 3.052 17.688 ( 0.000 0.000 -5.335) 5.335 17.898 ( 0.000 0.000 -4.555) 4.555 ======================= Grid point 46 (17/120) ======================= q-point: ( 0.11 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 24.869 0.000 27.888) 37.366 1.212 ( 35.419 0.000 24.861) 43.273 1.794 ( 38.778 0.000 48.855) 62.375 3.236 ( -4.203 0.000 6.989) 8.156 3.442 ( 5.500 0.000 12.232) 13.411 3.817 ( -7.578 0.000 -5.622) 9.436 4.068 ( -12.274 0.000 3.427) 12.743 4.555 ( 0.612 0.000 21.656) 21.664 4.982 ( -0.674 0.000 24.609) 24.618 5.482 ( 30.868 0.000 9.526) 32.305 5.646 ( -5.979 0.000 11.278) 12.765 5.677 ( -4.176 0.000 13.505) 14.135 5.972 ( -17.670 0.000 -2.521) 17.849 6.299 ( -12.964 0.000 -0.035) 12.965 6.710 ( -5.982 0.000 2.737) 6.578 7.532 ( 13.968 0.000 -8.213) 16.203 8.068 ( 0.591 0.000 1.129) 1.274 8.125 ( 7.859 0.000 -3.717) 8.694 8.767 ( -2.919 0.000 -6.593) 7.210 9.757 ( -3.161 0.000 10.074) 10.559 9.822 ( -2.358 0.000 -7.319) 7.690 9.917 ( 7.097 0.000 -5.476) 8.964 10.111 ( 7.412 0.000 10.363) 12.741 10.384 ( 0.476 0.000 -27.350) 27.354 10.567 ( -9.552 0.000 23.365) 25.242 10.900 ( -6.630 0.000 -2.197) 6.985 11.066 ( -4.908 0.000 4.258) 6.498 11.250 ( 4.508 0.000 -1.868) 4.879 11.466 ( -6.489 0.000 18.711) 19.804 11.864 ( 0.674 0.000 -0.855) 1.089 12.170 ( -0.586 0.000 1.142) 1.283 12.390 ( 1.055 0.000 -2.632) 2.836 13.277 ( -24.539 0.000 24.311) 34.543 13.542 ( -13.448 0.000 -5.006) 14.349 13.901 ( 3.364 0.000 15.101) 15.471 13.947 ( 7.181 0.000 -6.603) 9.756 15.784 ( 7.177 0.000 -3.120) 7.826 16.545 ( 6.582 0.000 -1.895) 6.849 17.223 ( -1.777 0.000 -5.837) 6.102 17.541 ( 4.147 0.000 -13.448) 14.073 17.748 ( 6.729 0.000 -15.086) 16.519 17.881 ( -1.660 0.000 -4.643) 4.931 ======================= Grid point 47 (18/120) ======================= q-point: ( 0.22 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 29.958 0.000 15.393) 33.682 1.723 ( 22.845 0.000 37.347) 43.780 2.774 ( 50.274 0.000 15.607) 52.641 3.164 ( -3.376 0.000 9.518) 10.099 3.522 ( 2.307 0.000 13.339) 13.537 3.679 ( -0.474 0.000 2.506) 2.551 3.874 ( -9.511 0.000 -4.621) 10.575 4.603 ( 5.399 0.000 27.252) 27.782 4.991 ( 1.635 0.000 23.631) 23.688 5.484 ( -10.002 0.000 7.149) 12.294 5.551 ( -20.288 0.000 -3.675) 20.618 5.566 ( -7.235 0.000 16.183) 17.727 6.027 ( -14.890 0.000 2.786) 15.148 6.166 ( 33.334 0.000 5.101) 33.722 6.472 ( -17.328 0.000 3.710) 17.721 7.632 ( 0.132 0.000 -2.408) 2.411 8.074 ( -0.775 0.000 -0.194) 0.799 8.393 ( 16.932 0.000 -8.417) 18.908 8.669 ( -8.013 0.000 -5.705) 9.836 9.677 ( -6.824 0.000 -0.602) 6.851 9.781 ( -0.141 0.000 3.126) 3.129 10.063 ( 7.446 0.000 -0.313) 7.453 10.249 ( 6.011 0.000 10.779) 12.342 10.353 ( -9.503 0.000 10.866) 14.435 10.386 ( -2.173 0.000 -5.412) 5.832 10.669 ( -14.491 0.000 -7.386) 16.265 11.026 ( 0.249 0.000 11.080) 11.083 11.269 ( -1.077 0.000 4.734) 4.855 11.543 ( 11.254 0.000 5.121) 12.364 11.884 ( 1.425 0.000 -2.557) 2.928 12.154 ( -1.016 0.000 1.307) 1.656 12.420 ( 2.005 0.000 0.195) 2.015 12.954 ( -11.559 0.000 16.401) 20.066 13.249 ( -16.551 0.000 -3.195) 16.856 13.985 ( 4.928 0.000 11.576) 12.581 14.066 ( 5.004 0.000 -6.477) 8.186 15.978 ( 12.500 0.000 -4.155) 13.172 16.721 ( 11.033 0.000 -3.838) 11.682 17.173 ( -3.462 0.000 -7.263) 8.046 17.508 ( -4.587 0.000 -6.421) 7.891 17.818 ( -0.152 0.000 -17.036) 17.036 17.834 ( -3.102 0.000 -4.835) 5.745 ======================= Grid point 48 (19/120) ======================= q-point: ( 0.33 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 21.548 0.000 32.099) 38.661 2.201 ( 26.138 0.000 6.673) 26.977 3.096 ( -4.133 0.000 18.101) 18.567 3.250 ( -1.838 0.000 5.142) 5.461 3.539 ( 0.546 0.000 10.297) 10.312 3.742 ( -2.083 0.000 -1.908) 2.825 4.111 ( 40.444 0.000 2.651) 40.531 4.769 ( 11.133 0.000 26.850) 29.067 5.051 ( 4.198 0.000 24.615) 24.970 5.186 ( -13.900 0.000 -2.366) 14.100 5.281 ( -10.618 0.000 6.444) 12.420 5.402 ( -9.385 0.000 17.556) 19.907 5.686 ( -21.198 0.000 1.257) 21.235 6.119 ( -17.366 0.000 8.131) 19.175 6.793 ( 30.621 0.000 2.404) 30.715 7.642 ( 2.153 0.000 -2.227) 3.098 8.013 ( -5.744 0.000 -1.583) 5.958 8.412 ( -19.197 0.000 -3.728) 19.555 8.719 ( 16.301 0.000 -8.108) 18.207 9.499 ( -10.497 0.000 -7.860) 13.114 9.822 ( 3.665 0.000 12.440) 12.968 10.168 ( -8.643 0.000 18.508) 20.427 10.195 ( 6.019 0.000 5.220) 7.967 10.317 ( -0.001 0.000 6.876) 6.876 10.351 ( -2.078 0.000 -12.843) 13.010 10.437 ( -7.407 0.000 -5.284) 9.098 11.058 ( 2.842 0.000 12.298) 12.622 11.245 ( -1.604 0.000 6.741) 6.930 11.795 ( 13.407 0.000 0.561) 13.418 11.918 ( 2.049 0.000 -3.992) 4.487 12.139 ( 0.121 0.000 2.756) 2.758 12.464 ( 2.495 0.000 2.859) 3.794 12.771 ( -7.912 0.000 8.738) 11.788 12.913 ( -17.743 0.000 -1.506) 17.807 14.078 ( 4.287 0.000 6.685) 7.942 14.140 ( 2.585 0.000 -4.996) 5.625 16.255 ( 15.712 0.000 -5.369) 16.604 16.951 ( 12.087 0.000 -6.102) 13.540 17.072 ( -7.660 0.000 -8.721) 11.607 17.409 ( -4.964 0.000 -4.649) 6.801 17.767 ( -3.644 0.000 -5.094) 6.263 17.772 ( -3.688 0.000 -13.088) 13.597 ======================= Grid point 49 (20/120) ======================= q-point: ( 0.44 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 15.496 0.000 22.837) 27.598 2.599 ( 12.049 0.000 1.954) 12.206 2.993 ( -4.640 0.000 26.691) 27.091 3.078 ( -10.968 0.000 7.909) 13.522 3.603 ( 6.634 0.000 5.129) 8.386 3.726 ( -3.290 0.000 2.439) 4.095 4.769 ( 24.562 0.000 1.506) 24.608 4.940 ( 4.406 0.000 10.364) 11.262 5.056 ( 6.777 0.000 15.913) 17.296 5.077 ( -10.276 0.000 8.476) 13.320 5.199 ( -15.159 0.000 10.374) 18.370 5.249 ( -17.914 0.000 7.542) 19.437 5.340 ( 22.412 0.000 17.762) 28.597 5.779 ( -19.643 0.000 12.280) 23.166 7.356 ( 27.890 0.000 0.986) 27.907 7.737 ( 7.695 0.000 -3.332) 8.385 7.835 ( -15.636 0.000 -0.149) 15.637 7.971 ( -20.988 0.000 -3.992) 21.364 9.020 ( 14.669 0.000 -7.591) 16.517 9.282 ( -12.173 0.000 -8.004) 14.569 9.908 ( 5.059 0.000 16.327) 17.093 10.020 ( -6.631 0.000 17.342) 18.567 10.276 ( 0.908 0.000 0.816) 1.220 10.277 ( -1.254 0.000 -6.676) 6.793 10.327 ( 1.269 0.000 -4.691) 4.860 10.373 ( -2.097 0.000 5.045) 5.464 11.127 ( 3.961 0.000 11.931) 12.572 11.199 ( -3.190 0.000 9.847) 10.351 11.960 ( 1.995 0.000 -4.813) 5.210 11.971 ( 2.492 0.000 -5.280) 5.838 12.238 ( 12.070 0.000 6.457) 13.688 12.490 ( -5.068 0.000 7.451) 9.012 12.602 ( -8.617 0.000 -2.142) 8.879 12.640 ( -5.500 0.000 3.879) 6.730 14.143 ( 2.356 0.000 1.909) 3.032 14.166 ( 0.078 0.000 -2.102) 2.103 16.570 ( 16.243 0.000 -6.707) 17.573 16.864 ( -13.492 0.000 -8.127) 15.751 17.168 ( 9.770 0.000 -7.447) 12.285 17.315 ( -5.512 0.000 -6.267) 8.346 17.707 ( -2.139 0.000 -8.304) 8.576 17.707 ( -2.040 0.000 -6.476) 6.790 ======================= Grid point 54 (21/120) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 30.648 16.931) 35.014 1.040 ( 0.000 24.751 24.440) 34.784 1.981 ( 0.000 39.322 54.145) 66.917 3.019 ( 0.000 -25.088 11.774) 27.714 3.040 ( 0.000 -26.784 -0.087) 26.785 3.959 ( 0.000 0.504 -0.135) 0.522 4.615 ( 0.000 5.817 18.991) 19.862 4.665 ( 0.000 28.593 2.513) 28.703 4.942 ( 0.000 -2.818 24.200) 24.364 4.965 ( 0.000 -5.195 13.738) 14.688 5.714 ( 0.000 -1.029 9.662) 9.717 5.718 ( 0.000 1.560 16.357) 16.431 6.010 ( 0.000 -16.335 -2.799) 16.573 6.564 ( 0.000 -16.522 3.496) 16.888 7.027 ( 0.000 30.732 -24.901) 39.553 7.323 ( 0.000 7.391 -3.464) 8.163 8.029 ( 0.000 -3.203 -0.868) 3.318 8.051 ( 0.000 -1.586 0.838) 1.794 9.020 ( 0.000 17.274 -19.164) 25.800 9.761 ( 0.000 -5.787 -10.156) 11.689 9.812 ( 0.000 0.561 10.003) 10.019 9.853 ( 0.000 0.141 -4.377) 4.380 10.077 ( 0.000 5.990 6.588) 8.903 10.466 ( 0.000 7.301 -25.228) 26.264 10.729 ( 0.000 5.854 13.151) 14.395 10.895 ( 0.000 -6.222 4.008) 7.402 10.961 ( 0.000 -14.904 3.554) 15.322 11.163 ( 0.000 -2.894 -1.132) 3.108 11.556 ( 0.000 -3.814 15.205) 15.676 11.898 ( 0.000 -24.607 15.264) 28.957 11.931 ( 0.000 5.531 2.859) 6.227 12.195 ( 0.000 -2.706 5.532) 6.158 13.588 ( 0.000 -5.233 0.852) 5.302 13.695 ( 0.000 -6.452 0.359) 6.462 14.014 ( 0.000 8.155 4.205) 9.175 14.089 ( 0.000 21.255 0.659) 21.265 15.035 ( 0.000 -46.413 40.747) 61.761 15.551 ( 0.000 -14.917 -2.298) 15.093 17.271 ( 0.000 1.802 -4.140) 4.515 17.552 ( 0.000 -7.817 -4.752) 9.148 18.089 ( 0.000 12.557 -5.727) 13.802 18.303 ( 0.000 23.881 -29.721) 38.127 ======================= Grid point 55 (22/120) ======================= q-point: ( 0.11 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 21.685 13.173 21.346) 33.157 1.458 ( 28.069 21.525 21.833) 41.567 2.257 ( 29.596 35.367 38.651) 60.172 2.920 ( -3.424 -26.183 2.961) 26.571 3.169 ( 6.573 -22.500 14.077) 27.343 3.922 ( -3.131 3.456 -2.386) 5.238 4.296 ( -19.855 19.252 2.012) 27.729 4.648 ( 1.266 5.880 27.844) 28.486 4.937 ( 0.525 -3.534 24.246) 24.507 5.393 ( 26.042 -1.995 5.656) 26.724 5.631 ( -9.284 -5.852 6.611) 12.812 5.691 ( -4.975 -0.851 13.493) 14.406 5.747 ( -13.871 -9.536 5.705) 17.774 6.542 ( -13.066 1.017 -5.566) 14.238 6.947 ( -4.897 22.255 -7.441) 23.972 7.421 ( 10.550 -4.460 -4.100) 12.166 7.965 ( -3.908 -5.499 -0.007) 6.746 8.090 ( 3.014 -3.383 -0.768) 4.596 9.041 ( 0.879 19.148 -16.570) 25.337 9.741 ( -2.500 -3.152 -1.172) 4.191 9.793 ( -0.257 -0.231 0.329) 0.477 9.937 ( 6.067 0.249 -1.368) 6.225 10.137 ( 4.909 3.184 7.880) 9.815 10.439 ( -2.358 4.637 -23.427) 23.997 10.573 ( -11.472 -0.905 22.200) 25.005 10.854 ( -8.208 -5.111 -5.568) 11.158 10.974 ( 2.694 -4.770 7.194) 9.042 11.217 ( 4.673 -3.201 0.566) 5.693 11.471 ( -2.912 0.681 15.669) 15.952 11.922 ( -0.052 4.573 1.207) 4.730 12.003 ( 6.046 -19.008 6.045) 20.842 12.198 ( 0.433 -4.328 6.264) 7.627 13.401 ( -19.241 4.976 9.265) 21.928 13.487 ( -10.003 -3.385 -1.990) 10.746 13.992 ( 1.989 9.235 9.432) 13.349 14.165 ( 5.493 17.771 -1.519) 18.663 15.439 ( 20.377 -39.716 10.325) 45.817 15.717 ( 19.381 -25.647 -1.574) 32.185 17.275 ( 0.486 2.210 -4.330) 4.886 17.546 ( -0.632 -6.780 -4.765) 8.311 18.034 ( -5.533 13.703 -7.304) 16.485 18.222 ( -6.449 19.650 -21.671) 29.956 ======================= Grid point 56 (23/120) ======================= q-point: ( 0.22 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 28.361 6.502 16.108) 33.258 1.929 ( 21.535 16.215 30.233) 40.506 2.916 ( 3.594 -21.131 4.710) 21.946 3.025 ( 40.943 21.542 13.716) 48.254 3.260 ( 3.474 -18.402 20.410) 27.700 3.881 ( 0.053 9.957 -3.094) 10.426 3.974 ( -12.763 10.972 0.120) 16.831 4.701 ( 4.330 7.408 28.739) 29.992 4.961 ( 2.111 -2.467 23.658) 23.880 5.280 ( -20.876 -20.607 -1.583) 29.376 5.500 ( -8.916 0.854 7.903) 11.945 5.566 ( -6.888 -0.259 16.227) 17.631 5.951 ( 19.356 -9.468 8.943) 23.329 6.189 ( -19.636 6.573 -2.449) 20.851 6.806 ( -5.236 21.571 -0.012) 22.198 7.617 ( 5.555 -0.066 -2.932) 6.282 7.945 ( 2.423 -12.233 -1.055) 12.515 8.171 ( 5.688 -9.390 -3.103) 11.408 8.995 ( -6.852 19.366 -12.462) 24.027 9.657 ( -7.069 -2.297 -5.155) 9.046 9.796 ( 0.907 1.640 6.025) 6.310 10.054 ( 5.600 -2.147 6.007) 8.489 10.213 ( 1.330 -0.788 8.882) 9.015 10.379 ( -5.873 0.472 13.825) 15.029 10.400 ( -2.520 1.397 -13.931) 14.226 10.633 ( -12.144 -3.217 -7.016) 14.389 11.031 ( 2.990 1.435 9.494) 10.056 11.269 ( 0.490 -0.816 7.129) 7.192 11.553 ( 10.342 1.486 6.123) 12.110 11.923 ( 0.280 3.268 -1.660) 3.677 12.087 ( 2.303 -8.845 0.883) 9.182 12.226 ( 2.980 -9.592 7.802) 12.718 13.089 ( -13.561 7.274 6.610) 16.749 13.233 ( -15.352 -1.172 -2.414) 15.585 14.077 ( 5.786 9.952 9.249) 14.767 14.262 ( 4.112 16.138 -4.081) 17.146 15.729 ( 13.850 -22.914 -0.713) 26.784 16.122 ( 17.679 -34.841 -5.185) 39.413 17.297 ( 2.062 3.883 -4.816) 6.521 17.528 ( -1.162 -3.190 -4.952) 6.004 17.894 ( -8.232 12.531 -8.680) 17.324 18.093 ( -6.971 12.536 -13.646) 19.798 ======================= Grid point 57 (24/120) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 24.683 5.408 18.115) 31.092 2.334 ( 20.470 11.015 19.995) 30.662 2.984 ( 1.388 -10.457 16.245) 19.369 3.326 ( 7.836 -9.879 11.998) 17.406 3.423 ( -7.182 8.606 6.082) 12.753 3.861 ( -1.566 8.603 -4.251) 9.723 4.132 ( 28.254 2.360 1.154) 28.375 4.811 ( 4.021 2.281 24.905) 25.330 4.902 ( -14.051 -20.073 0.836) 24.516 5.034 ( 5.867 -1.456 25.091) 25.809 5.323 ( -8.614 2.596 9.930) 13.399 5.402 ( -9.640 -0.243 17.316) 19.820 5.813 ( -17.413 7.794 0.568) 19.086 6.090 ( -4.084 -3.245 7.712) 9.311 6.964 ( 20.377 15.321 1.197) 25.522 7.658 ( 1.370 2.200 -2.205) 3.403 7.958 ( -3.208 -5.689 -1.931) 6.811 8.300 ( 3.319 -11.756 -4.314) 12.955 8.787 ( -10.418 8.289 -8.428) 15.757 9.454 ( -13.595 -4.918 -8.815) 16.933 9.834 ( 2.827 1.376 13.310) 13.677 10.104 ( -2.851 -5.565 20.734) 21.656 10.203 ( 1.585 1.418 1.390) 2.541 10.299 ( -2.575 -0.962 3.622) 4.547 10.396 ( 1.013 3.360 -10.679) 11.241 10.468 ( -4.355 1.694 -6.048) 7.643 11.094 ( 3.599 3.415 12.554) 13.499 11.263 ( -0.970 1.134 9.994) 10.105 11.790 ( 12.434 -0.020 0.407) 12.440 11.936 ( 1.148 1.356 -3.705) 4.109 12.111 ( 1.439 -2.667 2.041) 3.654 12.313 ( 5.479 -10.166 7.174) 13.595 12.851 ( -11.308 4.306 3.124) 12.497 12.916 ( -16.744 0.297 -0.871) 16.769 14.190 ( 5.438 11.250 5.173) 13.524 14.317 ( 1.527 14.863 -4.138) 15.503 16.008 ( 14.505 -20.832 -3.502) 25.625 16.367 ( 7.491 -31.955 -7.083) 33.577 17.359 ( 4.107 6.030 -5.571) 9.180 17.511 ( -0.224 5.201 -5.932) 7.892 17.735 ( -7.502 6.369 -7.792) 12.552 17.946 ( -8.115 8.205 -10.565) 15.646 ======================= Grid point 58 (25/120) ======================= q-point: ( 0.44 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 14.798 4.821 23.923) 28.540 2.679 ( 10.265 6.804 6.119) 13.752 2.967 ( 1.157 -1.830 23.937) 24.035 3.169 ( -14.844 6.653 7.371) 17.859 3.553 ( 13.833 -2.656 5.066) 14.969 3.785 ( -8.102 5.465 1.548) 9.894 4.539 ( 10.337 -16.574 -3.721) 19.884 4.651 ( -5.326 -22.872 -1.396) 23.526 4.970 ( 6.546 -1.061 19.167) 20.282 5.109 ( -3.789 -3.658 19.986) 20.668 5.188 ( -3.953 3.634 17.885) 18.673 5.235 ( -5.611 0.761 19.383) 20.193 5.682 ( 8.168 18.420 4.774) 20.708 5.928 ( -11.838 10.441 7.829) 17.619 7.417 ( 23.328 5.625 0.876) 24.012 7.706 ( -0.138 -2.143 -1.613) 2.686 7.849 ( -3.127 1.714 -2.704) 4.475 8.081 ( -20.367 9.115 -4.559) 22.775 8.843 ( 13.397 -14.573 -6.557) 20.853 9.151 ( -16.793 -11.817 -7.455) 21.846 9.904 ( 4.450 0.211 16.333) 16.930 10.004 ( -5.720 -1.550 18.530) 19.455 10.252 ( 2.284 -0.539 1.209) 2.640 10.279 ( -0.442 -0.233 0.400) 0.640 10.411 ( 0.463 4.994 -8.175) 9.591 10.424 ( -1.070 4.142 -4.236) 6.020 11.166 ( 3.674 3.467 13.460) 14.377 11.229 ( -2.575 2.474 12.344) 12.850 11.946 ( 2.779 -1.117 -5.327) 6.111 11.964 ( 0.913 -0.726 -5.336) 5.462 12.226 ( 11.521 -0.866 6.543) 13.277 12.403 ( 0.506 -6.447 8.139) 10.395 12.617 ( -9.724 1.288 -2.044) 10.019 12.661 ( -8.671 0.889 2.232) 8.997 14.277 ( 3.462 12.406 0.934) 12.913 14.321 ( -1.046 13.580 -2.314) 13.815 16.265 ( 11.176 -23.373 -5.336) 26.451 16.410 ( -3.023 -28.279 -6.745) 29.229 17.437 ( 3.732 8.436 -6.410) 11.233 17.505 ( -2.240 16.279 -7.860) 18.215 17.660 ( 2.214 -2.005 -6.556) 7.205 17.784 ( -8.318 4.380 -8.612) 12.749 ======================= Grid point 63 (26/120) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 34.539 9.179) 35.738 1.695 ( 0.000 34.724 8.861) 35.836 2.371 ( 0.000 -32.791 6.254) 33.382 2.411 ( 0.000 -32.515 7.762) 33.429 2.872 ( 0.000 41.349 36.281) 55.009 3.651 ( 0.000 -30.070 19.075) 35.610 4.691 ( 0.000 4.774 27.349) 27.763 4.811 ( 0.000 -5.593 22.519) 23.204 5.140 ( 0.000 18.546 -2.205) 18.677 5.320 ( 0.000 26.192 -0.646) 26.199 5.596 ( 0.000 -21.301 -2.831) 21.489 5.661 ( 0.000 -5.295 6.206) 8.158 5.784 ( 0.000 6.279 17.483) 18.577 6.117 ( 0.000 -23.936 7.812) 25.178 7.439 ( 0.000 9.841 -16.501) 19.213 7.474 ( 0.000 4.981 -7.508) 9.010 7.978 ( 0.000 -1.174 -0.609) 1.322 7.999 ( 0.000 -2.753 0.073) 2.754 9.363 ( 0.000 14.450 -25.229) 29.074 9.606 ( 0.000 -9.287 -19.068) 21.209 9.827 ( 0.000 0.902 7.831) 7.883 9.846 ( 0.000 -0.772 2.515) 2.630 10.261 ( 0.000 11.567 8.734) 14.494 10.559 ( 0.000 -17.398 15.312) 23.176 10.629 ( 0.000 8.033 -15.024) 17.037 10.788 ( 0.000 -7.133 -8.861) 11.375 10.894 ( 0.000 9.123 6.070) 10.957 11.065 ( 0.000 -6.701 2.546) 7.169 11.505 ( 0.000 -0.224 14.178) 14.180 11.576 ( 0.000 -7.934 14.332) 16.382 12.046 ( 0.000 5.184 4.586) 6.922 12.137 ( 0.000 -3.496 4.943) 6.054 13.531 ( 0.000 -0.018 2.775) 2.775 13.580 ( 0.000 -4.333 1.905) 4.733 14.195 ( 0.000 9.449 7.439) 12.026 14.398 ( 0.000 -6.422 14.711) 16.051 14.668 ( 0.000 16.364 2.011) 16.488 15.142 ( 0.000 -23.242 -1.600) 23.297 17.326 ( 0.000 3.468 -4.266) 5.497 17.416 ( 0.000 -5.344 -4.469) 6.966 18.332 ( 0.000 10.045 -8.189) 12.960 18.469 ( 0.000 -1.983 -14.428) 14.563 ======================= Grid point 64 (27/120) ======================= q-point: ( 0.11 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 8.305 29.355 8.613) 31.700 2.001 ( 18.925 28.565 16.459) 38.013 2.289 ( 0.384 -31.196 4.282) 31.491 2.617 ( 12.027 -28.485 15.638) 34.650 3.062 ( 19.074 37.437 26.211) 49.522 3.730 ( 7.578 -23.408 11.279) 27.066 4.723 ( 1.312 6.019 24.523) 25.285 4.749 ( -17.855 17.791 4.591) 25.620 4.850 ( -1.316 -1.847 22.762) 22.875 5.247 ( -22.083 -21.997 -1.051) 31.187 5.569 ( 6.858 10.339 2.204) 12.602 5.666 ( -4.149 -1.640 11.122) 11.983 5.796 ( 3.299 12.153 13.622) 18.551 6.236 ( 3.646 -23.887 1.353) 24.201 7.336 ( -7.960 12.441 -8.514) 17.048 7.452 ( -0.398 1.718 -8.530) 8.710 7.906 ( -5.474 0.965 -0.223) 5.563 7.994 ( -0.195 -5.555 -1.376) 5.726 9.398 ( 1.843 14.219 -21.150) 25.552 9.623 ( 0.402 -7.949 -15.553) 17.471 9.827 ( 0.938 2.896 7.380) 7.983 9.899 ( 3.820 -3.470 4.191) 6.648 10.255 ( -0.297 7.995 7.890) 11.236 10.443 ( -7.300 -8.834 13.090) 17.398 10.574 ( -6.296 6.326 -13.519) 16.199 10.716 ( -7.138 -6.900 -7.842) 12.651 10.993 ( 6.626 5.279 5.550) 10.128 11.120 ( 5.127 -5.927 4.216) 8.900 11.513 ( 2.596 4.028 13.172) 14.017 11.667 ( 7.343 -11.477 11.535) 17.852 12.033 ( -1.091 5.176 3.246) 6.206 12.127 ( -0.883 -3.809 4.436) 5.913 13.433 ( -10.534 0.077 1.494) 10.640 13.446 ( -10.289 -0.968 0.129) 10.335 14.242 ( 5.365 14.283 9.602) 18.027 14.494 ( 5.632 1.227 5.695) 8.103 14.875 ( 19.054 -1.050 3.612) 19.421 15.248 ( 10.649 -23.446 -3.233) 25.954 17.334 ( 0.945 3.544 -4.388) 5.719 17.422 ( 0.688 -5.054 -4.558) 6.840 18.277 ( -5.442 9.512 -8.241) 13.712 18.394 ( -6.978 -0.595 -13.173) 14.919 ======================= Grid point 65 (28/120) ======================= q-point: ( 0.22 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 21.481 19.177 9.068) 30.189 2.342 ( 15.730 22.606 26.456) 38.188 2.414 ( 12.196 -25.041 4.749) 28.255 2.824 ( 8.985 -23.010 24.079) 34.496 3.534 ( 25.514 24.375 7.377) 36.049 3.901 ( 8.620 -8.576 -1.717) 12.280 4.338 ( -18.237 21.039 1.381) 27.877 4.782 ( -11.636 -14.598 8.697) 20.595 4.848 ( -4.363 -4.810 20.759) 21.751 4.901 ( 4.116 -3.315 26.459) 26.982 5.526 ( -8.026 1.606 10.115) 13.012 5.553 ( -6.957 -0.957 14.245) 15.882 5.912 ( 5.714 6.295 6.753) 10.858 6.131 ( -11.932 -10.672 0.673) 16.023 7.229 ( -0.594 18.401 -2.539) 18.585 7.557 ( 10.598 -11.938 -5.099) 16.758 7.806 ( -4.440 5.644 -1.325) 7.302 7.993 ( -0.279 -9.303 -3.110) 9.813 9.347 ( -9.033 13.971 -15.263) 22.578 9.564 ( -7.944 -7.115 -12.087) 16.119 9.856 ( 1.673 4.225 9.837) 10.836 9.962 ( 2.309 -5.575 11.303) 12.813 10.250 ( -0.537 3.498 6.228) 7.163 10.332 ( -4.281 -3.929 10.884) 12.338 10.462 ( -3.239 4.040 -14.720) 15.604 10.552 ( -7.315 -4.340 -8.776) 12.221 11.104 ( 4.806 5.186 9.783) 12.071 11.212 ( 3.606 -4.517 9.432) 11.062 11.630 ( 9.049 6.313 7.321) 13.242 11.820 ( 7.642 -11.807 6.075) 15.320 12.020 ( 0.270 4.461 1.416) 4.688 12.112 ( -0.265 -4.290 3.922) 5.818 13.182 ( -13.962 2.287 0.314) 14.152 13.211 ( -14.083 -0.966 -1.375) 14.183 14.373 ( 7.182 17.111 7.322) 19.949 14.580 ( 3.302 6.516 -0.600) 7.329 15.266 ( 19.302 -10.135 0.900) 21.820 15.515 ( 15.120 -24.706 -5.291) 29.445 17.368 ( 2.739 3.485 -4.767) 6.509 17.446 ( 1.914 -4.004 -4.923) 6.628 18.132 ( -9.118 8.993 -8.427) 15.331 18.230 ( -9.422 0.375 -11.072) 14.543 ======================= Grid point 66 (29/120) ======================= q-point: ( 0.33 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 22.075 12.574 13.095) 28.581 2.614 ( 13.055 11.929 22.006) 28.231 2.708 ( 14.955 -11.309 13.913) 23.347 2.989 ( 9.545 -17.714 20.928) 29.033 3.785 ( -4.767 20.596 -0.494) 21.147 4.014 ( 3.058 3.173 -6.824) 8.123 4.187 ( 4.532 2.434 -1.242) 5.292 4.404 ( -19.350 -22.144 1.121) 29.428 4.922 ( 3.136 4.741 27.384) 27.968 4.997 ( 4.920 -2.452 27.374) 27.920 5.363 ( -7.772 1.430 13.326) 15.493 5.389 ( -9.250 -1.025 15.632) 18.193 5.930 ( -4.695 3.833 2.827) 6.687 6.007 ( 4.757 -3.997 7.049) 9.396 7.346 ( 11.198 19.721 -0.386) 22.682 7.696 ( -1.212 -8.227 0.082) 8.316 7.815 ( 7.069 1.291 -5.209) 8.875 8.011 ( 5.385 -13.289 -4.576) 15.051 9.027 ( -22.536 13.234 -9.601) 27.842 9.286 ( -20.099 -10.938 -9.815) 24.899 9.886 ( 1.616 3.710 15.194) 15.723 9.984 ( -0.091 -5.544 17.524) 18.381 10.242 ( 0.093 2.037 3.176) 3.775 10.278 ( -1.175 -1.328 4.235) 4.591 10.458 ( 1.678 2.216 -11.940) 12.259 10.484 ( -0.431 -0.254 -10.133) 10.145 11.185 ( 3.641 4.733 14.020) 15.239 11.260 ( 1.486 -1.955 13.859) 14.075 11.822 ( 9.165 3.556 0.011) 9.831 11.922 ( 2.390 -4.337 -2.478) 5.538 12.071 ( 5.135 1.045 3.508) 6.306 12.145 ( 4.917 -5.587 6.651) 9.981 12.907 ( -14.232 1.414 -0.652) 14.317 12.921 ( -15.141 -0.042 -0.426) 15.147 14.498 ( 5.483 15.929 2.544) 17.037 14.622 ( 1.115 8.782 -2.979) 9.340 15.598 ( 14.570 -11.275 -1.826) 18.513 15.769 ( 9.904 -23.537 -5.522) 26.126 17.443 ( 4.918 3.346 -5.336) 7.991 17.507 ( 4.616 -2.639 -5.691) 7.788 17.941 ( -10.103 8.929 -8.367) 15.868 18.039 ( -10.098 -0.056 -9.723) 14.019 ======================= Grid point 67 (30/120) ======================= q-point: ( 0.44 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 9.687 5.860 26.408) 28.733 2.786 ( 1.509 -0.129 23.074) 23.123 2.983 ( 15.613 6.307 10.416) 19.800 3.167 ( 1.968 -7.964 7.628) 11.202 3.685 ( 3.526 16.572 1.956) 17.056 3.943 ( -15.435 8.108 0.353) 17.439 4.148 ( -0.018 -21.290 -3.605) 21.593 4.225 ( -3.441 -14.415 -4.840) 15.590 4.983 ( 3.798 1.795 20.458) 20.885 5.037 ( -0.592 -3.221 20.797) 21.053 5.232 ( -4.738 1.126 20.233) 20.811 5.243 ( -4.973 -0.060 20.095) 20.702 5.990 ( 7.601 10.165 4.551) 13.484 6.075 ( 0.407 2.098 5.432) 5.837 7.549 ( 7.081 5.847 0.650) 9.206 7.647 ( -3.780 -3.796 0.170) 5.360 7.969 ( 13.930 10.803 -5.369) 18.428 8.200 ( 3.720 -4.558 -6.030) 8.425 8.618 ( -10.121 0.954 -5.366) 11.495 8.851 ( -22.498 -15.579 -6.430) 28.110 9.924 ( 2.199 1.619 17.180) 17.395 9.964 ( -1.732 -2.109 18.295) 18.497 10.253 ( 0.855 0.471 3.019) 3.173 10.267 ( -0.485 -0.767 3.145) 3.273 10.490 ( 1.076 2.172 -11.061) 11.324 10.493 ( 0.628 1.838 -12.074) 12.230 11.244 ( 2.337 3.200 16.055) 16.537 11.271 ( -0.405 0.793 15.971) 15.996 11.928 ( 2.053 -0.215 -5.724) 6.085 11.942 ( 0.176 -1.236 -5.761) 5.895 12.221 ( 9.522 0.961 7.104) 11.918 12.279 ( 5.848 -4.707 8.190) 11.110 12.646 ( -10.158 1.335 -1.754) 10.395 12.665 ( -10.304 -0.418 -0.280) 10.316 14.582 ( 3.208 13.519 -1.185) 13.945 14.623 ( -1.027 11.053 -3.068) 11.517 15.815 ( 7.492 -14.603 -3.458) 16.773 15.878 ( 1.176 -19.426 -4.684) 20.017 17.556 ( 6.571 3.797 -5.891) 9.608 17.617 ( 4.764 -2.362 -6.054) 8.057 17.767 ( -5.867 8.288 -8.597) 13.305 17.846 ( -9.385 0.361 -8.985) 12.998 ======================= Grid point 90 (31/120) ======================= q-point: ( 0.00 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.000 0.000 34.465) 34.465 1.597 ( 0.000 0.000 37.062) 37.062 2.875 ( 0.000 0.000 66.798) 66.798 3.340 ( 0.000 0.000 3.661) 3.661 3.755 ( 0.000 0.000 -3.762) 3.762 3.817 ( 0.000 0.000 25.639) 25.639 4.507 ( 0.000 0.000 -6.631) 6.631 4.566 ( 0.000 0.000 15.891) 15.891 5.644 ( 0.000 0.000 34.476) 34.476 5.854 ( 0.000 0.000 47.905) 47.905 5.989 ( 0.000 0.000 16.048) 16.048 6.135 ( 0.000 0.000 25.086) 25.086 6.215 ( 0.000 0.000 3.355) 3.355 6.348 ( 0.000 0.000 -6.844) 6.844 6.914 ( 0.000 0.000 13.052) 13.052 7.116 ( 0.000 0.000 -7.806) 7.806 8.070 ( 0.000 0.000 -0.053) 0.053 8.113 ( 0.000 0.000 3.447) 3.447 8.623 ( 0.000 0.000 -9.696) 9.696 9.639 ( 0.000 0.000 -12.355) 12.355 9.673 ( 0.000 0.000 -12.455) 12.455 9.705 ( 0.000 0.000 -27.848) 27.848 10.073 ( 0.000 0.000 14.145) 14.145 10.280 ( 0.000 0.000 14.945) 14.945 10.844 ( 0.000 0.000 -12.222) 12.222 11.092 ( 0.000 0.000 23.663) 23.663 11.100 ( 0.000 0.000 -5.658) 5.658 11.248 ( 0.000 0.000 11.037) 11.037 11.848 ( 0.000 0.000 -0.979) 0.979 11.856 ( 0.000 0.000 6.671) 6.671 12.218 ( 0.000 0.000 3.132) 3.132 12.280 ( 0.000 0.000 -4.996) 4.996 13.553 ( 0.000 0.000 -10.903) 10.903 13.638 ( 0.000 0.000 -11.637) 11.637 13.911 ( 0.000 0.000 10.396) 10.396 14.116 ( 0.000 0.000 13.466) 13.466 15.644 ( 0.000 0.000 -3.760) 3.760 16.446 ( 0.000 0.000 -2.031) 2.031 17.076 ( 0.000 0.000 -10.200) 10.200 17.231 ( 0.000 0.000 -6.585) 6.585 17.531 ( 0.000 0.000 -9.924) 9.924 17.764 ( 0.000 0.000 -8.300) 8.300 ======================= Grid point 91 (32/120) ======================= q-point: ( 0.11 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 37.085 0.000 24.204) 44.284 1.731 ( 12.969 0.000 32.588) 35.074 3.006 ( 13.798 0.000 62.260) 63.770 3.326 ( -0.911 0.000 5.310) 5.387 3.736 ( -1.857 0.000 -1.997) 2.727 3.882 ( 5.698 0.000 25.918) 26.537 4.157 ( -17.612 0.000 3.486) 17.954 4.894 ( 15.217 0.000 11.141) 18.859 5.591 ( -5.264 0.000 27.578) 28.076 5.887 ( -9.936 0.000 13.217) 16.535 5.952 ( -5.917 0.000 24.932) 25.625 6.038 ( 5.120 0.000 25.423) 25.933 6.103 ( -3.279 0.000 25.145) 25.358 6.269 ( -7.517 0.000 -2.944) 8.073 6.861 ( -6.360 0.000 12.910) 14.392 7.375 ( 17.288 0.000 -8.098) 19.091 8.064 ( 1.420 0.000 -2.349) 2.745 8.105 ( -0.789 0.000 2.591) 2.708 8.598 ( -2.410 0.000 -9.331) 9.637 9.618 ( -2.680 0.000 -12.147) 12.439 9.740 ( 5.558 0.000 -22.345) 23.026 9.802 ( 9.446 0.000 -15.857) 18.457 10.020 ( -3.065 0.000 14.010) 14.341 10.377 ( 7.576 0.000 14.643) 16.487 10.741 ( -10.089 0.000 -11.612) 15.383 11.007 ( -4.147 0.000 15.469) 16.015 11.218 ( 6.767 0.000 3.927) 7.824 11.259 ( 1.199 0.000 12.499) 12.556 11.771 ( -6.809 0.000 9.599) 11.769 11.831 ( -1.351 0.000 -2.303) 2.670 12.212 ( -0.481 0.000 3.201) 3.237 12.327 ( 4.390 0.000 -2.952) 5.290 13.396 ( -11.017 0.000 -9.044) 14.254 13.641 ( -18.763 0.000 14.894) 23.956 13.751 ( 6.622 0.000 -12.462) 14.112 14.230 ( 4.996 0.000 15.422) 16.211 15.701 ( 5.759 0.000 -4.712) 7.441 16.493 ( 4.698 0.000 -3.040) 5.596 17.036 ( -3.905 0.000 -12.229) 12.837 17.274 ( 3.308 0.000 -10.954) 11.443 17.526 ( -0.733 0.000 -10.521) 10.547 17.746 ( -1.856 0.000 -8.398) 8.601 ======================= Grid point 92 (33/120) ======================= q-point: ( 0.22 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 18.889 0.000 23.223) 29.935 2.355 ( 30.278 0.000 23.155) 38.117 3.330 ( 1.902 0.000 8.633) 8.840 3.389 ( 20.635 0.000 40.438) 45.399 3.751 ( 8.385 0.000 6.812) 10.804 3.866 ( -11.496 0.000 3.098) 11.906 3.986 ( 3.718 0.000 28.464) 28.706 5.130 ( 9.647 0.000 18.600) 20.953 5.435 ( -10.671 0.000 8.614) 13.714 5.649 ( -13.308 0.000 8.563) 15.825 5.744 ( -6.253 0.000 34.279) 34.845 6.013 ( -5.874 0.000 25.810) 26.470 6.060 ( -14.649 0.000 -0.050) 14.649 6.418 ( 24.513 0.000 22.159) 33.044 6.667 ( -12.372 0.000 16.371) 20.520 7.567 ( 2.659 0.000 -3.915) 4.733 8.070 ( -3.435 0.000 -0.275) 3.446 8.218 ( 14.325 0.000 -8.280) 16.546 8.529 ( -5.468 0.000 -7.185) 9.030 9.510 ( -8.660 0.000 -11.298) 14.235 9.848 ( 4.711 0.000 -24.063) 24.520 10.005 ( 1.895 0.000 12.600) 12.742 10.020 ( 11.834 0.000 -7.166) 13.834 10.467 ( -9.284 0.000 -2.929) 9.735 10.546 ( 1.649 0.000 8.475) 8.634 10.915 ( -5.781 0.000 23.766) 24.459 11.292 ( 2.134 0.000 14.407) 14.565 11.319 ( 2.655 0.000 1.522) 3.060 11.705 ( 2.160 0.000 8.571) 8.839 11.812 ( -0.355 0.000 -4.179) 4.194 12.204 ( -0.192 0.000 3.718) 3.723 12.424 ( 5.029 0.000 0.107) 5.030 13.159 ( -13.221 0.000 -5.273) 14.234 13.292 ( -16.636 0.000 16.127) 23.170 13.873 ( 6.149 0.000 -12.230) 13.689 14.281 ( 0.626 0.000 15.734) 15.747 15.861 ( 10.491 0.000 -7.025) 12.626 16.620 ( 8.020 0.000 -5.703) 9.841 16.937 ( -6.044 0.000 -15.713) 16.835 17.316 ( 0.357 0.000 -11.455) 11.460 17.496 ( -2.133 0.000 -13.475) 13.643 17.695 ( -3.371 0.000 -8.626) 9.262 ======================= Grid point 93 (34/120) ======================= q-point: ( 0.33 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 17.347 0.000 13.961) 22.267 2.792 ( 14.557 0.000 24.363) 28.380 3.415 ( 7.056 0.000 13.027) 14.815 3.500 ( -3.566 0.000 20.251) 20.563 3.766 ( 3.161 0.000 4.529) 5.523 3.989 ( -3.788 0.000 31.863) 32.087 4.249 ( 32.388 0.000 12.235) 34.621 5.148 ( -8.729 0.000 -0.584) 8.748 5.385 ( 9.091 0.000 30.504) 31.830 5.404 ( -11.756 0.000 4.816) 12.704 5.693 ( -22.299 0.000 -0.330) 22.302 5.724 ( 3.928 0.000 39.397) 39.592 5.882 ( -7.468 0.000 27.653) 28.644 6.430 ( -11.698 0.000 22.147) 25.047 6.911 ( 25.459 0.000 10.562) 27.563 7.586 ( 1.402 0.000 -2.930) 3.248 7.965 ( -7.201 0.000 -3.193) 7.877 8.329 ( -16.441 0.000 -3.667) 16.845 8.536 ( 17.020 0.000 -9.250) 19.371 9.313 ( -10.491 0.000 -9.982) 14.481 9.912 ( 2.141 0.000 -20.517) 20.628 10.078 ( 3.967 0.000 4.965) 6.355 10.227 ( 8.739 0.000 -1.178) 8.818 10.235 ( -9.230 0.000 -1.086) 9.293 10.626 ( 2.966 0.000 15.498) 15.780 10.784 ( -7.179 0.000 29.075) 29.948 11.338 ( 2.417 0.000 14.277) 14.480 11.346 ( 1.287 0.000 2.444) 2.762 11.814 ( 6.325 0.000 1.469) 6.493 11.821 ( 1.276 0.000 -5.030) 5.189 12.225 ( 3.294 0.000 5.502) 6.412 12.512 ( 3.961 0.000 0.904) 4.062 12.893 ( -13.784 0.000 0.480) 13.792 13.000 ( -13.471 0.000 13.098) 18.789 13.993 ( 6.190 0.000 -9.190) 11.080 14.266 ( -2.041 0.000 11.162) 11.347 16.096 ( 13.438 0.000 -9.971) 16.733 16.791 ( 9.349 0.000 -8.882) 12.896 16.801 ( -8.180 0.000 -17.613) 19.420 17.271 ( -5.023 0.000 -8.703) 10.048 17.467 ( -0.358 0.000 -15.242) 15.246 17.620 ( -4.124 0.000 -8.969) 9.872 ======================= Grid point 94 (35/120) ======================= q-point: ( 0.44 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 12.292 0.000 8.353) 14.861 2.881 ( -4.710 0.000 10.661) 11.656 3.523 ( 6.544 0.000 32.812) 33.458 3.569 ( 5.793 0.000 21.244) 22.020 3.835 ( 0.911 0.000 9.488) 9.532 3.869 ( -6.179 0.000 27.113) 27.808 4.770 ( 20.655 0.000 -0.604) 20.664 5.087 ( 5.019 0.000 6.527) 8.233 5.144 ( -17.692 0.000 -2.101) 17.816 5.290 ( -15.456 0.000 6.372) 16.718 5.572 ( 8.707 0.000 30.440) 31.661 5.730 ( -7.978 0.000 29.409) 30.472 5.908 ( 14.313 0.000 35.128) 37.932 6.193 ( -13.520 0.000 27.610) 30.743 7.401 ( 25.452 0.000 3.881) 25.747 7.658 ( 6.134 0.000 -3.769) 7.200 7.806 ( -8.606 0.000 -3.865) 9.434 7.904 ( -25.561 0.000 -0.568) 25.568 8.852 ( 15.060 0.000 -8.446) 17.266 9.108 ( -11.378 0.000 -8.657) 14.297 9.949 ( 2.244 0.000 -16.543) 16.694 10.022 ( -5.621 0.000 -14.003) 15.089 10.251 ( 6.037 0.000 14.383) 15.599 10.323 ( 0.284 0.000 6.038) 6.045 10.652 ( 0.231 0.000 18.569) 18.570 10.673 ( -3.223 0.000 25.997) 26.196 11.373 ( 1.071 0.000 6.140) 6.233 11.375 ( 1.026 0.000 11.168) 11.215 11.857 ( 2.050 0.000 -4.773) 5.195 11.881 ( 0.361 0.000 -3.403) 3.423 12.357 ( 10.034 0.000 5.209) 11.306 12.550 ( -4.661 0.000 -2.522) 5.300 12.676 ( -3.165 0.000 10.325) 10.799 12.777 ( -9.264 0.000 9.552) 13.306 14.109 ( 5.619 0.000 -3.207) 6.470 14.205 ( -4.124 0.000 4.172) 5.866 16.365 ( 13.761 0.000 -13.268) 19.116 16.612 ( -11.395 0.000 -16.413) 19.981 16.972 ( 9.140 0.000 -10.904) 14.228 17.140 ( -8.009 0.000 -10.365) 13.099 17.485 ( 2.068 0.000 -12.064) 12.240 17.542 ( -3.701 0.000 -9.814) 10.488 ======================= Grid point 99 (36/120) ======================= q-point: ( 0.00 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 19.689 28.411) 34.567 1.655 ( 0.000 8.181 32.598) 33.609 3.074 ( 0.000 -13.617 16.052) 21.049 3.202 ( 0.000 17.989 50.623) 53.725 3.235 ( 0.000 -29.446 8.013) 30.516 4.142 ( 0.000 10.909 16.229) 19.555 4.669 ( 0.000 14.263 -4.706) 15.019 4.813 ( 0.000 20.553 11.104) 23.360 5.578 ( 0.000 -4.177 34.281) 34.534 5.660 ( 0.000 -14.460 41.357) 43.812 5.941 ( 0.000 -17.361 -3.103) 17.637 5.996 ( 0.000 -1.950 20.354) 20.447 6.156 ( 0.000 1.877 25.225) 25.295 6.706 ( 0.000 -15.078 10.055) 18.124 6.727 ( 0.000 23.238 -6.751) 24.199 7.244 ( 0.000 7.033 -2.978) 7.638 8.020 ( 0.000 -3.343 0.091) 3.344 8.082 ( 0.000 -2.891 2.428) 3.775 8.732 ( 0.000 8.888 -12.124) 15.033 9.397 ( 0.000 -11.956 -22.512) 25.490 9.742 ( 0.000 5.300 -6.979) 8.763 9.971 ( 0.000 14.851 -19.518) 24.526 10.056 ( 0.000 -1.715 12.174) 12.294 10.352 ( 0.000 6.839 15.026) 16.509 10.754 ( 0.000 -7.782 -12.588) 14.800 11.049 ( 0.000 -6.215 -0.738) 6.259 11.093 ( 0.000 0.237 20.691) 20.692 11.231 ( 0.000 -1.479 10.689) 10.790 11.720 ( 0.000 -4.935 2.564) 5.561 11.982 ( 0.000 -16.216 -0.471) 16.223 12.014 ( 0.000 7.760 4.152) 8.801 12.299 ( 0.000 -0.615 3.953) 4.000 13.508 ( 0.000 -2.345 -7.866) 8.208 13.598 ( 0.000 -3.274 -9.534) 10.080 14.148 ( 0.000 19.238 5.652) 20.051 14.201 ( 0.000 7.795 12.576) 14.796 15.493 ( 0.000 -13.947 -3.010) 14.268 15.605 ( 0.000 -45.917 16.298) 48.724 17.145 ( 0.000 1.912 -8.228) 8.448 17.410 ( 0.000 -7.269 -8.977) 11.551 17.798 ( 0.000 27.456 -20.298) 34.145 17.924 ( 0.000 10.515 -10.083) 14.569 ======================= Grid point 100 (37/120) ======================= q-point: ( 0.11 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 18.383 5.316 29.383) 35.065 1.886 ( 26.505 15.525 22.574) 38.120 3.015 ( -1.967 -23.307 8.922) 25.034 3.276 ( 10.196 19.374 51.157) 55.645 3.436 ( 13.812 -19.281 11.833) 26.505 4.083 ( -5.909 9.910 18.111) 21.474 4.338 ( -18.321 15.608 1.331) 24.105 5.085 ( 12.434 15.121 12.178) 23.055 5.532 ( -6.693 -4.845 22.132) 23.624 5.702 ( -8.835 -17.543 15.483) 25.011 5.776 ( 2.299 -9.590 24.183) 26.116 6.000 ( 0.941 -0.833 23.902) 23.935 6.126 ( -2.616 2.037 25.093) 25.311 6.506 ( -11.735 8.223 2.667) 14.576 6.920 ( 3.746 6.498 5.494) 9.297 7.308 ( 9.310 -3.287 -6.445) 11.791 7.966 ( -4.291 -5.043 0.068) 6.622 8.086 ( 0.465 -3.750 0.824) 3.867 8.754 ( 1.525 12.028 -12.648) 17.520 9.438 ( 2.701 -10.271 -19.862) 22.523 9.834 ( 8.652 4.087 -6.331) 11.474 9.953 ( -0.956 10.886 -17.121) 20.312 10.044 ( -1.243 2.720 8.948) 9.434 10.393 ( 3.906 2.002 14.266) 14.926 10.668 ( -8.782 -6.400 -12.030) 16.211 11.005 ( -6.964 -5.992 20.884) 22.816 11.093 ( 4.513 -2.158 1.490) 5.220 11.310 ( 6.196 0.893 11.256) 12.879 11.690 ( -1.718 -2.924 4.450) 5.595 11.971 ( -3.830 7.835 3.323) 9.333 12.042 ( 4.639 -13.099 0.642) 13.911 12.308 ( 1.151 -1.928 3.944) 4.538 13.386 ( -10.274 -0.644 -7.640) 12.819 13.516 ( -10.271 -5.320 0.641) 11.585 14.044 ( -1.232 19.361 -0.527) 19.407 14.328 ( 4.808 9.544 13.841) 17.487 15.538 ( 5.114 -15.460 -1.650) 16.367 15.747 ( 12.205 -41.881 4.632) 43.869 17.144 ( -0.003 2.562 -8.512) 8.889 17.405 ( -0.671 -6.350 -8.957) 11.001 17.736 ( -5.547 23.837 -18.789) 30.855 17.905 ( -2.378 10.649 -11.201) 15.637 ======================= Grid point 101 (38/120) ======================= q-point: ( 0.22 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 20.486 3.442 22.964) 30.966 2.484 ( 28.952 11.839 21.098) 37.729 3.061 ( 7.012 -19.963 10.284) 23.525 3.555 ( 15.284 12.764 33.238) 38.746 3.690 ( 9.944 -13.119 14.673) 22.052 3.961 ( -2.399 9.258 18.385) 20.724 4.050 ( -10.514 10.548 7.708) 16.770 5.181 ( -9.394 -8.178 3.280) 12.879 5.346 ( -0.653 3.226 22.007) 22.252 5.603 ( -2.317 -3.885 27.614) 27.983 5.710 ( -6.703 1.337 17.309) 18.610 6.005 ( -6.480 -2.187 24.716) 25.645 6.153 ( -5.790 1.756 11.620) 13.101 6.341 ( 5.260 -1.686 20.570) 21.298 6.863 ( -3.236 14.515 7.461) 16.638 7.529 ( 8.317 -3.301 -5.607) 10.559 7.919 ( 0.598 -11.135 -1.409) 11.239 8.105 ( 2.054 -7.001 -2.680) 7.772 8.745 ( -3.690 14.525 -11.714) 19.022 9.426 ( -5.212 -6.615 -14.585) 16.842 9.950 ( 0.981 7.411 -18.809) 20.240 10.012 ( 4.865 1.150 2.507) 5.592 10.063 ( 7.521 3.840 2.752) 8.882 10.444 ( -10.533 -2.234 -4.834) 11.802 10.488 ( 3.125 -4.203 9.607) 10.942 10.854 ( -8.136 -8.274 23.320) 26.048 11.209 ( 6.681 1.641 5.530) 8.826 11.430 ( 5.136 3.017 11.031) 12.537 11.699 ( 3.312 0.392 5.264) 6.231 11.897 ( -3.136 6.431 0.303) 7.161 12.119 ( 2.989 -7.552 2.520) 8.504 12.354 ( 3.675 -5.360 4.323) 7.805 13.150 ( -13.630 -0.360 -4.371) 14.318 13.259 ( -14.396 -2.597 7.745) 16.552 14.085 ( 3.897 17.699 -7.678) 19.682 14.376 ( 0.603 8.928 13.863) 16.500 15.687 ( 9.874 -15.578 -3.825) 18.836 15.993 ( 11.725 -36.174 -6.730) 38.618 17.152 ( 1.107 4.858 -9.338) 10.584 17.382 ( -1.662 -3.275 -9.142) 9.852 17.613 ( -6.536 16.953 -17.046) 24.914 17.828 ( -5.391 8.865 -11.964) 15.836 ======================= Grid point 102 (39/120) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 19.693 5.866 14.623) 25.220 2.911 ( 14.435 10.873 24.131) 30.148 3.274 ( 13.538 -12.551 13.298) 22.752 3.606 ( -5.166 9.508 18.925) 21.800 3.828 ( 4.908 2.285 2.489) 5.958 3.883 ( -4.476 -6.783 32.430) 33.433 4.225 ( 19.306 -1.350 9.278) 21.462 4.889 ( -15.487 -20.189 0.854) 25.459 5.375 ( -2.902 3.603 20.476) 20.992 5.574 ( 2.432 9.621 16.660) 19.391 5.708 ( 6.941 0.657 34.331) 35.032 5.775 ( -16.564 0.062 14.219) 21.830 5.942 ( -8.666 6.969 22.532) 25.127 6.400 ( -4.659 -3.168 22.378) 23.076 7.028 ( 19.344 11.239 6.158) 23.204 7.599 ( 1.492 1.868 -3.314) 4.086 7.909 ( -3.893 -5.889 -2.535) 7.500 8.195 ( 3.516 -12.569 -5.228) 14.060 8.604 ( -7.532 7.401 -8.866) 13.788 9.247 ( -12.059 -6.289 -11.073) 17.538 9.978 ( 1.743 5.424 -18.544) 19.399 10.084 ( 2.986 0.530 0.725) 3.118 10.214 ( 1.376 0.688 5.228) 5.450 10.285 ( 1.025 2.881 -2.249) 3.796 10.559 ( 2.582 -5.036 14.896) 15.934 10.705 ( -6.731 -7.482 23.825) 25.863 11.335 ( 6.121 4.743 8.962) 11.844 11.488 ( 1.112 6.496 12.972) 14.550 11.796 ( 4.805 -0.431 -0.403) 4.841 11.863 ( -0.231 2.815 -2.269) 3.623 12.184 ( 5.033 -3.329 4.825) 7.726 12.444 ( 5.375 -6.144 4.361) 9.255 12.872 ( -14.587 -0.766 0.005) 14.607 12.987 ( -13.388 -1.655 7.479) 15.425 14.167 ( 4.360 15.148 -7.874) 17.620 14.364 ( -1.617 9.011 9.074) 12.890 15.902 ( 11.598 -16.518 -6.935) 21.341 16.170 ( 6.064 -30.790 -11.548) 33.438 17.190 ( 2.628 8.502 -10.952) 14.112 17.342 ( -2.360 4.162 -10.202) 11.269 17.500 ( -4.469 7.026 -14.300) 16.548 17.705 ( -6.999 6.019 -12.128) 15.241 ======================= Grid point 103 (40/120) ======================= q-point: ( 0.44 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 14.289 9.600 8.964) 19.409 3.006 ( -4.697 11.412 11.741) 17.034 3.497 ( 9.128 -3.562 26.175) 27.949 3.608 ( 1.853 4.048 27.712) 28.067 3.799 ( 0.299 -3.282 22.787) 23.024 3.883 ( -2.103 1.702 12.248) 12.543 4.491 ( 8.147 -18.675 -0.850) 20.392 4.646 ( -9.238 -24.684 0.831) 26.369 5.326 ( 0.758 4.718 11.999) 12.916 5.447 ( -11.683 4.589 9.397) 15.680 5.676 ( 4.483 7.431 29.992) 31.223 5.784 ( -6.101 3.920 31.116) 31.950 5.974 ( 15.435 8.093 27.299) 32.388 6.243 ( -11.046 4.142 23.519) 26.312 7.456 ( 22.556 5.276 3.348) 23.406 7.654 ( 4.180 0.457 -3.283) 5.334 7.791 ( -6.420 -1.584 -2.770) 7.170 7.981 ( -21.135 6.586 -4.028) 22.501 8.693 ( 13.647 -13.034 -7.561) 20.330 8.983 ( -14.925 -11.199 -8.516) 20.511 10.014 ( 2.109 5.264 -15.453) 16.461 10.064 ( -3.023 3.251 -13.792) 14.489 10.266 ( 5.390 1.547 15.014) 16.027 10.341 ( -0.577 1.760 6.850) 7.096 10.585 ( 0.740 -5.566 19.169) 19.974 10.614 ( -2.490 -5.109 18.161) 19.029 11.436 ( 3.993 6.650 11.327) 13.729 11.486 ( -1.235 7.573 12.885) 14.997 11.848 ( 1.511 -0.709 -4.115) 4.441 11.869 ( -0.262 -0.965 -3.488) 3.628 12.343 ( 11.083 -0.993 4.917) 12.166 12.555 ( 1.861 -0.683 -1.310) 2.376 12.606 ( -8.130 -4.590 9.110) 13.045 12.749 ( -10.835 -2.723 6.550) 12.951 14.249 ( 3.961 12.347 -3.898) 13.541 14.318 ( -3.048 10.133 2.377) 10.845 16.107 ( 8.776 -19.929 -9.948) 23.941 16.214 ( -1.745 -25.451 -12.037) 28.208 17.241 ( 2.420 11.490 -12.659) 17.266 17.291 ( -2.837 12.563 -12.368) 17.856 17.475 ( 2.315 -0.899 -11.149) 11.423 17.569 ( -6.575 2.328 -11.506) 13.455 ======================= Grid point 108 (41/120) ======================= q-point: ( 0.00 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 0.000 26.302 18.377) 32.086 1.985 ( 0.000 22.077 18.428) 28.757 2.572 ( 0.000 -26.514 14.090) 30.025 2.610 ( 0.000 -29.180 11.949) 31.532 3.766 ( 0.000 27.392 47.818) 55.108 4.180 ( 0.000 -9.478 29.818) 31.288 5.038 ( 0.000 20.517 -3.345) 20.788 5.221 ( 0.000 12.609 9.892) 16.026 5.395 ( 0.000 -8.379 31.203) 32.308 5.502 ( 0.000 -17.380 0.581) 17.389 5.598 ( 0.000 3.637 26.072) 26.324 5.863 ( 0.000 -11.853 17.946) 21.507 6.220 ( 0.000 4.812 24.289) 24.761 6.393 ( 0.000 -12.758 18.183) 22.212 7.147 ( 0.000 15.277 -9.724) 18.109 7.318 ( 0.000 -1.310 -6.047) 6.188 7.976 ( 0.000 -0.407 0.630) 0.750 8.010 ( 0.000 -3.336 1.239) 3.558 8.940 ( 0.000 10.613 -17.308) 20.303 9.162 ( 0.000 -10.896 -21.629) 24.218 9.874 ( 0.000 6.729 -1.733) 6.948 9.994 ( 0.000 -4.455 6.167) 7.607 10.276 ( 0.000 14.399 -15.375) 21.064 10.550 ( 0.000 -11.679 -13.923) 18.172 10.552 ( 0.000 12.110 15.164) 19.407 10.831 ( 0.000 -13.688 11.534) 17.899 11.114 ( 0.000 2.112 13.771) 13.932 11.178 ( 0.000 -3.512 9.316) 9.956 11.659 ( 0.000 -0.653 2.762) 2.838 11.718 ( 0.000 -7.398 1.647) 7.579 12.160 ( 0.000 6.031 5.385) 8.085 12.257 ( 0.000 -3.371 5.760) 6.675 13.488 ( 0.000 0.549 -6.550) 6.573 13.528 ( 0.000 -3.039 -7.150) 7.769 14.432 ( 0.000 14.731 13.980) 20.309 14.601 ( 0.000 21.638 3.848) 21.978 14.868 ( 0.000 -24.251 15.747) 28.915 15.108 ( 0.000 -22.001 -1.283) 22.038 17.197 ( 0.000 3.264 -8.248) 8.870 17.282 ( 0.000 -5.056 -8.518) 9.905 18.108 ( 0.000 6.077 -13.110) 14.450 18.126 ( 0.000 5.781 -17.841) 18.754 ======================= Grid point 109 (42/120) ======================= q-point: ( 0.11 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 8.661 18.821 21.329) 29.734 2.278 ( 19.807 12.933 12.288) 26.656 2.519 ( 5.691 -14.448 17.248) 23.208 2.900 ( 19.186 -26.613 12.142) 34.982 3.805 ( 3.804 23.590 42.907) 49.112 4.140 ( -3.833 -6.529 26.884) 27.930 4.740 ( -19.617 21.636 -0.422) 29.209 5.175 ( -16.585 -17.484 1.546) 24.148 5.403 ( 3.664 2.201 20.811) 21.245 5.500 ( 5.081 -6.933 35.908) 36.923 5.695 ( 8.172 9.890 16.348) 20.781 5.930 ( 1.416 -7.321 17.023) 18.585 6.194 ( -2.024 5.258 23.616) 24.279 6.390 ( -1.934 -13.028 14.712) 19.747 7.159 ( 1.597 11.797 -6.672) 13.647 7.288 ( -0.966 -1.189 -6.543) 6.720 7.909 ( -5.788 0.118 0.657) 5.826 7.977 ( -2.396 -5.634 0.223) 6.127 9.007 ( 4.898 11.607 -17.098) 21.238 9.230 ( 4.989 -10.105 -20.012) 22.967 9.933 ( 5.589 5.001 -0.941) 7.559 10.014 ( 1.829 -2.108 6.042) 6.655 10.238 ( -3.413 12.065 -15.207) 19.710 10.448 ( -5.732 -3.727 -3.784) 7.814 10.542 ( -4.101 2.096 5.032) 6.822 10.756 ( -6.469 -13.451 14.641) 20.908 11.169 ( 6.407 5.731 10.211) 13.347 11.279 ( 7.606 -3.909 11.915) 14.667 11.676 ( 2.246 1.808 3.176) 4.289 11.785 ( 5.614 -9.234 1.528) 10.914 12.131 ( -2.622 6.736 5.424) 9.037 12.245 ( -1.083 -4.261 5.897) 7.356 13.386 ( -9.422 0.999 -5.385) 10.899 13.430 ( -9.424 -3.142 -3.227) 10.444 14.447 ( 1.928 18.761 7.180) 20.180 14.617 ( 0.302 14.552 8.151) 16.682 15.017 ( 13.718 -21.780 8.629) 27.149 15.173 ( 6.828 -21.281 -3.200) 22.578 17.202 ( 0.618 3.377 -8.413) 9.087 17.287 ( 0.432 -4.832 -8.629) 9.900 18.044 ( -6.180 7.471 -14.766) 17.665 18.081 ( -4.633 4.113 -15.607) 16.792 ======================= Grid point 110 (43/120) ======================= q-point: ( 0.22 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 19.492 13.277 19.164) 30.389 2.597 ( 15.959 -18.361 12.599) 27.397 2.848 ( 22.260 17.584 20.194) 34.821 3.280 ( 18.496 -21.608 16.278) 32.772 3.887 ( 3.213 13.916 27.393) 30.893 4.052 ( -4.556 -1.094 18.995) 19.564 4.389 ( -15.084 19.152 3.605) 24.644 4.808 ( -19.012 -20.934 1.144) 28.302 5.523 ( 7.848 6.123 31.871) 33.390 5.594 ( 3.924 0.523 38.657) 38.859 5.730 ( -4.840 3.749 9.940) 11.674 5.887 ( -6.352 -8.094 18.839) 21.466 6.185 ( 0.166 3.944 20.271) 20.652 6.297 ( -4.855 -4.976 18.037) 19.330 7.174 ( 2.567 14.119 -1.928) 14.480 7.416 ( 12.909 -8.728 -7.940) 17.489 7.793 ( -5.573 1.621 0.308) 5.812 7.933 ( -2.289 -9.168 -1.961) 9.651 9.034 ( -4.152 12.754 -14.977) 20.106 9.262 ( -3.642 -9.308 -16.103) 18.953 10.041 ( 3.318 1.853 3.367) 5.077 10.053 ( 2.278 1.328 -6.457) 6.975 10.201 ( 2.004 8.474 -6.185) 10.681 10.352 ( -4.373 -6.087 -8.538) 11.361 10.465 ( -1.676 3.068 13.603) 14.045 10.625 ( -6.307 -11.286 16.965) 21.330 11.321 ( 8.261 6.803 11.114) 15.429 11.429 ( 7.436 -2.915 12.580) 14.901 11.745 ( 4.459 4.477 2.579) 6.824 11.889 ( 3.592 -8.511 1.493) 9.358 12.088 ( -0.420 6.826 4.894) 8.410 12.232 ( 0.414 -6.487 6.332) 9.074 13.159 ( -13.425 1.340 -2.881) 13.796 13.202 ( -13.257 -2.647 0.522) 13.529 14.488 ( 1.812 18.297 -0.908) 18.409 14.606 ( -1.173 9.602 7.132) 12.018 15.303 ( 14.008 -16.317 2.658) 21.668 15.375 ( 13.363 -20.910 -7.769) 26.003 17.227 ( 2.054 3.349 -8.950) 9.774 17.301 ( 1.164 -3.839 -9.129) 9.972 17.890 ( -9.118 8.433 -14.822) 19.338 17.956 ( -7.915 2.052 -14.503) 16.649 ======================= Grid point 111 (44/120) ======================= q-point: ( 0.33 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 22.306 12.157 15.095) 29.550 2.960 ( 20.581 -15.894 14.105) 29.583 3.209 ( 13.453 16.752 25.490) 33.337 3.565 ( 9.816 -16.381 27.168) 33.208 3.869 ( -5.282 12.132 12.471) 18.183 3.965 ( -3.509 3.605 6.923) 8.558 4.221 ( -2.865 2.493 4.882) 6.185 4.457 ( -17.212 -19.199 4.081) 26.106 5.499 ( -8.119 7.502 21.028) 23.757 5.645 ( -9.674 -4.927 21.345) 23.947 5.735 ( 9.037 2.371 32.297) 33.621 5.755 ( 0.243 -0.244 23.984) 23.987 6.124 ( -2.157 9.503 19.479) 21.781 6.297 ( 1.688 -6.754 21.821) 22.905 7.338 ( 13.629 17.399 -0.100) 22.101 7.678 ( 9.882 -3.517 -7.419) 12.848 7.708 ( -2.077 -4.140 1.139) 4.770 7.905 ( 1.930 -12.929 -4.902) 13.961 8.817 ( -17.317 12.023 -10.382) 23.499 9.063 ( -15.996 -11.036 -11.495) 22.579 10.076 ( 1.850 2.849 -13.037) 13.473 10.097 ( 1.979 0.402 -7.860) 8.115 10.273 ( 1.781 5.101 11.190) 12.426 10.337 ( 4.835 1.165 0.018) 4.974 10.465 ( -0.253 -2.835 14.953) 15.221 10.526 ( -3.327 -8.055 14.934) 17.291 11.471 ( 6.936 6.510 13.439) 16.465 11.553 ( 5.032 -0.695 14.538) 15.400 11.819 ( 2.337 3.048 -0.426) 3.865 11.892 ( -2.156 -1.889 0.361) 2.889 12.157 ( 7.201 2.972 4.414) 8.954 12.289 ( 5.729 -7.996 6.304) 11.683 12.884 ( -14.509 1.798 -0.808) 14.642 12.936 ( -13.841 -2.864 1.765) 14.244 14.513 ( 0.905 14.537 -4.951) 15.383 14.579 ( -1.496 8.380 2.295) 8.816 15.551 ( 11.354 -12.455 -2.592) 17.051 15.620 ( 10.362 -19.155 -8.362) 23.329 17.286 ( 4.037 3.141 -9.866) 11.113 17.341 ( 3.377 -2.129 -10.232) 10.983 17.705 ( -9.614 8.245 -14.154) 18.993 17.786 ( -9.316 0.536 -14.076) 16.888 ======================= Grid point 112 (45/120) ======================= q-point: ( 0.44 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 17.676 13.750 11.411) 25.134 3.268 ( 1.025 4.740 11.506) 12.486 3.392 ( 12.631 0.701 28.777) 31.435 3.605 ( -6.447 -8.350 34.753) 36.318 3.819 ( 5.035 9.076 15.747) 18.860 3.953 ( -1.690 4.919 0.999) 5.297 4.138 ( -6.615 -15.899 3.286) 17.531 4.180 ( -7.941 -16.422 1.861) 18.336 5.392 ( -1.649 2.756 16.005) 16.324 5.449 ( -7.368 -2.356 15.799) 17.591 5.787 ( 1.947 3.124 33.186) 33.390 5.819 ( -0.574 -0.152 34.757) 34.763 6.198 ( 7.787 9.849 17.620) 21.636 6.303 ( -2.013 -0.103 18.139) 18.251 7.578 ( 6.693 5.078 2.445) 8.750 7.661 ( -3.159 -2.314 1.304) 4.127 7.829 ( 13.376 9.041 -7.545) 17.821 8.049 ( 2.477 -5.462 -7.785) 9.827 8.496 ( -7.139 0.728 -5.901) 9.291 8.702 ( -19.248 -14.336 -7.457) 25.132 10.112 ( 1.382 2.981 -14.582) 14.947 10.122 ( 0.404 1.665 -13.390) 13.499 10.324 ( 3.701 4.390 17.727) 18.633 10.397 ( -2.805 3.235 12.198) 12.927 10.452 ( 3.006 -6.281 13.906) 15.552 10.499 ( -1.221 -5.387 9.479) 10.971 11.581 ( 4.087 5.662 16.271) 17.706 11.614 ( 0.913 3.086 17.215) 17.513 11.835 ( 0.075 -0.107 -3.202) 3.204 11.849 ( -1.653 -0.949 -2.825) 3.408 12.344 ( 11.473 1.938 4.561) 12.497 12.440 ( 8.735 -6.755 6.549) 12.838 12.612 ( -12.610 2.478 -0.586) 12.865 12.678 ( -12.378 -3.688 1.903) 13.056 14.530 ( 0.928 11.224 -5.268) 12.433 14.551 ( -1.292 9.088 -2.514) 9.517 15.720 ( 5.477 -13.033 -5.558) 15.190 15.749 ( 2.662 -15.842 -7.470) 17.716 17.382 ( 5.973 4.094 -10.967) 13.142 17.440 ( 6.309 -1.710 -11.059) 12.846 17.530 ( -7.756 7.523 -13.740) 17.479 17.606 ( -8.983 -0.038 -13.620) 16.316 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 0.000 36.115) 36.115 2.306 ( 0.000 0.000 31.845) 31.845 3.508 ( 0.000 0.000 13.374) 13.374 3.715 ( 0.000 0.000 -0.297) 0.297 4.171 ( 0.000 0.000 59.542) 59.542 4.303 ( 0.000 0.000 20.799) 20.799 4.338 ( 0.000 0.000 -8.916) 8.916 4.910 ( 0.000 0.000 17.051) 17.051 6.005 ( 0.000 0.000 1.708) 1.708 6.171 ( 0.000 0.000 -9.828) 9.828 6.373 ( 0.000 0.000 21.510) 21.510 6.686 ( 0.000 0.000 27.173) 27.173 6.693 ( 0.000 0.000 41.297) 41.297 6.905 ( 0.000 0.000 36.185) 36.185 6.937 ( 0.000 0.000 7.426) 7.426 7.256 ( 0.000 0.000 19.476) 19.476 8.086 ( 0.000 0.000 1.910) 1.910 8.210 ( 0.000 0.000 6.193) 6.193 8.416 ( 0.000 0.000 -10.343) 10.343 9.083 ( 0.000 0.000 -27.939) 27.939 9.360 ( 0.000 0.000 -14.528) 14.528 9.504 ( 0.000 0.000 -9.108) 9.108 10.269 ( 0.000 0.000 -1.377) 1.377 10.573 ( 0.000 0.000 -8.788) 8.788 10.592 ( 0.000 0.000 14.848) 14.848 10.961 ( 0.000 0.000 -7.890) 7.890 11.488 ( 0.000 0.000 11.551) 11.551 11.576 ( 0.000 0.000 21.125) 21.125 11.818 ( 0.000 0.000 -1.817) 1.817 11.935 ( 0.000 0.000 3.669) 3.669 12.213 ( 0.000 0.000 -0.800) 0.800 12.316 ( 0.000 0.000 6.911) 6.911 13.321 ( 0.000 0.000 -10.968) 10.968 13.346 ( 0.000 0.000 -16.735) 16.735 14.152 ( 0.000 0.000 12.878) 12.878 14.386 ( 0.000 0.000 12.172) 12.172 15.569 ( 0.000 0.000 -3.378) 3.378 16.400 ( 0.000 0.000 -2.494) 2.494 16.821 ( 0.000 0.000 -14.789) 14.789 17.063 ( 0.000 0.000 -9.712) 9.712 17.292 ( 0.000 0.000 -13.263) 13.263 17.567 ( 0.000 0.000 -10.798) 10.798 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 25.645 0.000 29.539) 39.118 2.375 ( 6.733 0.000 29.650) 30.405 3.519 ( 1.338 0.000 14.185) 14.248 3.712 ( 0.039 0.000 1.392) 1.393 4.170 ( -12.879 0.000 -1.976) 13.029 4.255 ( 8.194 0.000 57.104) 57.689 4.379 ( 7.155 0.000 21.183) 22.358 5.103 ( 14.737 0.000 10.222) 17.935 5.791 ( -15.586 0.000 1.327) 15.642 6.058 ( -10.876 0.000 -3.789) 11.517 6.309 ( -6.985 0.000 15.383) 16.895 6.645 ( -3.228 0.000 42.863) 42.984 6.655 ( -2.975 0.000 27.229) 27.391 6.959 ( 4.658 0.000 50.827) 51.040 7.190 ( 18.958 0.000 -9.819) 21.350 7.216 ( -4.401 0.000 20.427) 20.896 8.038 ( -3.028 0.000 0.106) 3.030 8.174 ( -3.901 0.000 3.761) 5.419 8.412 ( -0.013 0.000 -8.105) 8.105 9.178 ( 8.441 0.000 -26.146) 27.475 9.345 ( -1.981 0.000 -14.124) 14.262 9.611 ( 10.462 0.000 -9.006) 13.804 10.204 ( -5.628 0.000 -2.961) 6.359 10.509 ( -5.008 0.000 -4.070) 6.453 10.681 ( 6.980 0.000 13.233) 14.961 11.000 ( 3.959 0.000 -6.902) 7.957 11.519 ( 2.843 0.000 11.766) 12.105 11.591 ( 1.024 0.000 21.561) 21.585 11.785 ( -2.648 0.000 -1.281) 2.942 11.886 ( -4.218 0.000 3.786) 5.668 12.288 ( 6.641 0.000 -0.666) 6.674 12.313 ( -0.218 0.000 7.214) 7.217 13.194 ( -7.336 0.000 -10.181) 12.549 13.453 ( 5.757 0.000 -16.134) 17.131 13.939 ( -15.851 0.000 14.365) 21.392 14.513 ( 6.993 0.000 12.266) 14.119 15.605 ( 3.660 0.000 -4.420) 5.738 16.426 ( 2.713 0.000 -3.394) 4.345 16.744 ( -7.533 0.000 -16.224) 17.888 17.060 ( 0.204 0.000 -10.688) 10.689 17.284 ( -1.218 0.000 -13.141) 13.197 17.548 ( -1.976 0.000 -10.808) 10.987 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 10.279 0.000 24.182) 26.276 2.784 ( 28.436 0.000 20.569) 35.095 3.574 ( 4.671 0.000 15.672) 16.354 3.739 ( 3.529 0.000 3.936) 5.287 3.943 ( -8.714 0.000 4.561) 9.835 4.464 ( 12.411 0.000 48.668) 50.226 4.544 ( 8.681 0.000 23.810) 25.343 5.276 ( -2.099 0.000 0.993) 2.322 5.650 ( 6.840 0.000 11.295) 13.205 5.786 ( -16.246 0.000 1.337) 16.301 6.087 ( -15.950 0.000 8.261) 17.963 6.579 ( -4.664 0.000 28.038) 28.423 6.586 ( -2.323 0.000 43.679) 43.741 7.088 ( 8.437 0.000 40.703) 41.569 7.096 ( -7.122 0.000 23.708) 24.755 7.470 ( 7.583 0.000 -5.618) 9.437 8.059 ( -7.716 0.000 -0.996) 7.780 8.078 ( 9.504 0.000 -4.507) 10.519 8.409 ( -1.475 0.000 -3.781) 4.058 9.262 ( -6.696 0.000 -12.439) 14.127 9.353 ( 8.614 0.000 -23.013) 24.573 9.870 ( 15.067 0.000 -8.107) 17.110 10.069 ( -8.238 0.000 -10.103) 13.036 10.424 ( -2.544 0.000 5.873) 6.400 10.826 ( 7.355 0.000 13.623) 15.482 11.107 ( 6.761 0.000 -3.624) 7.671 11.566 ( -5.011 0.000 21.258) 21.840 11.577 ( 2.554 0.000 11.387) 11.670 11.741 ( -1.449 0.000 -0.870) 1.691 11.831 ( -0.066 0.000 3.597) 3.597 12.315 ( 0.726 0.000 7.726) 7.760 12.418 ( 5.598 0.000 -0.927) 5.674 13.060 ( -6.153 0.000 -3.424) 7.041 13.578 ( 7.868 0.000 -16.358) 18.152 13.612 ( -17.330 0.000 15.072) 22.967 14.584 ( -0.093 0.000 13.534) 13.535 15.709 ( 7.002 0.000 -7.329) 10.136 16.501 ( 4.803 0.000 -5.766) 7.504 16.565 ( -9.930 0.000 -20.028) 22.354 17.077 ( 1.271 0.000 -11.833) 11.901 17.233 ( -4.011 0.000 -13.047) 13.650 17.493 ( -3.569 0.000 -10.844) 11.416 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 10.079 0.000 18.009) 20.637 3.145 ( 5.444 0.000 13.193) 14.272 3.706 ( 8.822 0.000 16.191) 18.438 3.891 ( 11.246 0.000 14.004) 17.961 3.912 ( 8.424 0.000 8.734) 12.134 4.664 ( 2.336 0.000 30.839) 30.927 4.675 ( 7.421 0.000 27.162) 28.158 5.189 ( -1.351 0.000 6.418) 6.558 5.452 ( -18.127 0.000 -1.038) 18.156 5.723 ( -19.635 0.000 5.866) 20.492 5.911 ( 15.371 0.000 19.439) 24.782 6.476 ( -6.036 0.000 29.066) 29.686 6.578 ( 2.193 0.000 42.611) 42.667 6.963 ( -6.453 0.000 28.315) 29.041 7.281 ( 11.428 0.000 25.798) 28.216 7.536 ( 2.103 0.000 -1.604) 2.645 7.890 ( -9.289 0.000 -3.742) 10.015 8.287 ( -12.347 0.000 -0.176) 12.348 8.366 ( 17.624 0.000 -6.422) 18.758 9.111 ( -8.019 0.000 -9.334) 12.306 9.495 ( 6.069 0.000 -19.835) 20.743 9.893 ( -9.436 0.000 -13.694) 16.631 10.156 ( 13.586 0.000 -5.598) 14.694 10.423 ( 1.811 0.000 9.168) 9.345 10.954 ( 5.822 0.000 15.692) 16.737 11.243 ( 6.275 0.000 5.284) 8.203 11.420 ( -7.976 0.000 14.887) 16.889 11.599 ( -0.698 0.000 9.115) 9.142 11.740 ( 1.350 0.000 -1.203) 1.808 11.855 ( 0.992 0.000 2.357) 2.557 12.359 ( 4.153 0.000 7.935) 8.956 12.490 ( 2.305 0.000 -2.370) 3.306 12.955 ( -4.779 0.000 5.421) 7.226 13.283 ( -16.224 0.000 13.977) 21.414 13.777 ( 12.596 0.000 -11.623) 17.139 14.509 ( -7.380 0.000 12.191) 14.251 15.869 ( 9.143 0.000 -11.623) 14.788 16.382 ( -8.779 0.000 -22.636) 24.279 16.609 ( 6.367 0.000 -8.651) 10.741 17.061 ( -5.220 0.000 -11.777) 12.882 17.178 ( 0.755 0.000 -13.040) 13.061 17.414 ( -4.527 0.000 -10.976) 11.873 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 8.734 0.000 13.327) 15.934 3.088 ( -7.251 0.000 10.693) 12.920 3.891 ( 9.048 0.000 15.013) 17.529 3.987 ( 0.673 0.000 14.051) 14.067 4.281 ( 20.419 0.000 26.248) 33.255 4.590 ( -10.307 0.000 36.735) 38.153 4.781 ( 7.935 0.000 4.499) 9.122 5.073 ( -20.091 0.000 -4.017) 20.488 5.262 ( 6.848 0.000 11.126) 13.065 5.421 ( -10.638 0.000 6.446) 12.439 6.172 ( 10.892 0.000 25.834) 28.036 6.345 ( -7.533 0.000 28.948) 29.912 6.682 ( 7.834 0.000 38.981) 39.760 6.835 ( -7.198 0.000 33.472) 34.237 7.529 ( 12.649 0.000 7.320) 14.614 7.625 ( 9.497 0.000 3.379) 10.080 7.712 ( -8.715 0.000 -3.813) 9.513 7.952 ( -20.089 0.000 4.727) 20.638 8.698 ( 15.544 0.000 -5.884) 16.620 8.946 ( -9.978 0.000 -6.708) 12.023 9.601 ( 5.365 0.000 -17.044) 17.868 9.724 ( -7.621 0.000 -14.949) 16.780 10.369 ( 7.832 0.000 -1.238) 7.929 10.448 ( -0.531 0.000 4.824) 4.853 11.064 ( 6.107 0.000 19.680) 20.606 11.204 ( -7.978 0.000 24.021) 25.311 11.426 ( 6.495 0.000 -0.997) 6.571 11.543 ( -4.888 0.000 4.605) 6.716 11.787 ( 3.123 0.000 -1.335) 3.396 11.843 ( -2.163 0.000 -0.143) 2.168 12.463 ( 5.454 0.000 5.633) 7.841 12.520 ( 0.121 0.000 0.100) 0.157 12.895 ( 0.083 0.000 10.681) 10.681 13.008 ( -11.139 0.000 12.179) 16.505 14.046 ( 14.452 0.000 -2.746) 14.711 14.312 ( -12.436 0.000 6.165) 13.880 16.050 ( 9.202 0.000 -16.697) 19.065 16.219 ( -8.295 0.000 -21.175) 22.742 16.748 ( 7.928 0.000 -10.793) 13.392 16.912 ( -8.705 0.000 -11.683) 14.569 17.235 ( 4.088 0.000 -12.135) 12.805 17.322 ( -4.734 0.000 -11.374) 12.320 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 11.717 32.470) 34.519 2.303 ( 0.000 1.055 29.969) 29.988 3.321 ( 0.000 -15.768 16.131) 22.558 3.376 ( 0.000 -23.869 7.063) 24.892 4.371 ( 0.000 16.596 54.825) 57.282 4.414 ( 0.000 11.137 1.694) 11.265 4.632 ( 0.000 18.865 7.931) 20.465 5.075 ( 0.000 13.644 13.496) 19.192 5.830 ( 0.000 -15.146 -2.942) 15.429 6.134 ( 0.000 -1.057 7.739) 7.811 6.219 ( 0.000 -14.221 18.973) 23.711 6.697 ( 0.000 1.059 26.623) 26.644 6.779 ( 0.000 -11.006 46.947) 48.219 6.861 ( 0.000 -5.107 2.298) 5.601 6.878 ( 0.000 14.169 27.724) 31.135 7.335 ( 0.000 4.246 16.170) 16.718 8.042 ( 0.000 -2.695 2.311) 3.550 8.158 ( 0.000 -4.398 5.169) 6.786 8.494 ( 0.000 6.064 -11.153) 12.695 8.928 ( 0.000 -9.322 -22.074) 23.962 9.549 ( 0.000 10.635 -14.645) 18.099 9.617 ( 0.000 12.269 -12.375) 17.426 10.203 ( 0.000 -6.356 -2.361) 6.781 10.455 ( 0.000 -9.644 -13.266) 16.401 10.680 ( 0.000 8.264 15.821) 17.849 11.024 ( 0.000 4.336 -0.550) 4.371 11.480 ( 0.000 -1.008 11.802) 11.845 11.512 ( 0.000 -5.499 18.378) 19.184 11.730 ( 0.000 -3.785 -0.601) 3.833 11.981 ( 0.000 -15.516 1.837) 15.625 12.083 ( 0.000 9.060 3.647) 9.766 12.385 ( 0.000 1.522 5.006) 5.232 13.312 ( 0.000 -0.543 -10.021) 10.036 13.341 ( 0.000 -0.504 -14.925) 14.933 14.312 ( 0.000 14.245 9.875) 17.333 14.457 ( 0.000 7.034 11.458) 13.445 15.438 ( 0.000 -12.134 -2.184) 12.329 15.794 ( 0.000 -36.271 3.926) 36.483 16.937 ( 0.000 2.619 -12.034) 12.316 17.192 ( 0.000 -6.512 -12.248) 13.872 17.432 ( 0.000 22.899 -16.269) 28.090 17.689 ( 0.000 8.146 -12.638) 15.036 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 19.927 6.405 29.163) 35.897 2.391 ( 11.030 4.360 25.946) 28.528 3.261 ( -0.226 -18.675 15.308) 24.148 3.551 ( 11.541 -15.497 7.451) 20.709 4.315 ( -11.743 12.642 -0.124) 17.255 4.395 ( 2.285 11.977 42.996) 44.691 4.544 ( -1.359 13.199 27.691) 30.706 5.258 ( 10.189 10.230 5.901) 15.598 5.641 ( -11.021 -11.060 2.419) 15.801 6.039 ( -7.106 -0.214 6.205) 9.436 6.261 ( -1.658 -4.558 20.394) 20.963 6.663 ( -3.373 0.855 26.614) 26.841 6.768 ( -5.201 3.482 32.044) 32.650 6.831 ( 4.090 -7.232 41.604) 42.426 7.081 ( 15.361 -5.126 0.941) 16.221 7.290 ( -3.999 3.337 15.703) 16.544 7.977 ( -5.335 -3.511 1.458) 6.551 8.136 ( -2.173 -4.406 4.110) 6.405 8.512 ( 1.639 8.229 -10.923) 13.774 9.015 ( 6.928 -8.956 -20.373) 23.308 9.561 ( -0.408 13.287 -18.094) 22.452 9.689 ( 8.681 7.577 -8.423) 14.273 10.166 ( -4.270 -4.126 -5.793) 8.295 10.426 ( -1.936 -8.800 -6.997) 11.408 10.682 ( 0.630 3.602 12.939) 13.446 11.104 ( 7.449 6.874 1.162) 10.202 11.412 ( -4.957 -8.674 18.169) 20.735 11.574 ( 4.183 -0.386 10.722) 11.516 11.722 ( 0.342 -2.237 1.225) 2.573 12.048 ( -2.503 7.395 5.520) 9.561 12.067 ( 6.210 -11.461 1.920) 13.176 12.388 ( 0.461 0.794 4.465) 4.559 13.204 ( -7.098 1.041 -9.239) 11.697 13.392 ( 1.140 -4.355 -11.460) 12.312 14.128 ( -11.426 15.989 8.194) 21.292 14.594 ( 6.883 7.866 11.729) 15.711 15.471 ( 3.405 -12.650 -3.643) 13.598 15.812 ( 1.844 -35.334 0.834) 35.392 16.930 ( -0.578 3.676 -12.269) 12.821 17.187 ( -0.610 -5.777 -12.156) 13.473 17.379 ( -4.931 21.356 -16.128) 27.212 17.662 ( -2.882 7.571 -12.689) 15.054 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 12.249 2.382 24.004) 27.053 2.862 ( 27.649 6.849 17.981) 33.685 3.338 ( 8.096 -14.855 16.219) 23.437 3.761 ( 9.347 -5.767 5.423) 12.249 4.067 ( -10.918 12.257 5.165) 17.208 4.460 ( 4.398 0.416 30.207) 30.529 4.583 ( 3.547 4.384 37.399) 37.822 5.179 ( -12.950 -12.180 -0.496) 17.785 5.699 ( 10.152 8.138 9.799) 16.288 5.860 ( -10.501 6.168 11.552) 16.786 6.158 ( -7.319 5.371 12.343) 15.322 6.569 ( -5.750 -0.542 30.095) 30.644 6.658 ( -4.993 4.004 36.065) 36.628 6.937 ( 4.946 -8.270 33.677) 35.028 7.186 ( -1.808 3.436 25.255) 25.552 7.402 ( 12.314 -5.706 -5.783) 14.753 7.902 ( -0.952 -7.635 0.534) 7.713 8.080 ( -2.952 -4.538 0.210) 5.418 8.530 ( -0.942 9.854 -8.873) 13.294 9.106 ( 0.465 -8.182 -16.106) 18.071 9.551 ( 0.600 11.546 -18.240) 21.596 9.919 ( 13.106 4.484 -6.901) 15.476 10.041 ( -7.188 -2.648 -12.222) 14.424 10.410 ( 0.465 -2.669 4.142) 4.949 10.725 ( 3.920 -3.976 10.118) 11.556 11.277 ( 8.716 5.329 3.798) 10.900 11.305 ( -4.910 -7.539 19.315) 21.307 11.650 ( 3.235 1.742 4.380) 5.717 11.759 ( 3.125 -0.661 5.030) 5.959 11.973 ( -4.243 10.502 7.057) 13.345 12.195 ( 5.804 -9.640 5.424) 12.492 12.414 ( 2.292 -1.655 1.932) 3.425 13.059 ( -7.593 0.322 -3.322) 8.294 13.349 ( -6.280 -9.375 -1.640) 11.402 13.964 ( -3.993 20.524 -1.488) 20.962 14.655 ( -0.957 6.471 12.745) 14.326 15.572 ( 6.947 -12.841 -6.948) 16.169 15.864 ( 3.306 -31.620 -6.132) 32.378 16.921 ( -0.207 7.093 -13.033) 14.839 17.163 ( -2.012 -3.456 -12.132) 12.774 17.273 ( -5.169 15.968 -15.578) 22.899 17.579 ( -5.577 5.775 -12.624) 14.960 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 12.416 5.978 17.624) 22.372 3.242 ( 7.257 8.676 11.585) 16.191 3.573 ( 15.673 -10.707 15.877) 24.746 3.916 ( 6.866 -0.821 7.071) 9.890 3.997 ( 6.841 8.902 13.742) 17.746 4.532 ( 1.153 -7.365 27.924) 28.902 4.637 ( 1.488 -5.651 30.011) 30.575 4.929 ( -12.449 -18.034 3.116) 22.134 5.622 ( -10.060 9.447 8.768) 16.351 5.757 ( -9.337 5.747 6.532) 12.763 6.136 ( 7.597 14.967 19.638) 25.834 6.487 ( -2.820 1.723 29.868) 30.050 6.594 ( -0.553 1.076 40.538) 40.556 6.935 ( -4.177 -2.901 28.118) 28.574 7.287 ( 11.473 1.562 20.731) 23.746 7.540 ( 3.349 0.781 -1.811) 3.887 7.868 ( -5.583 -3.060 -0.971) 6.440 8.113 ( 5.149 -13.147 -2.123) 14.278 8.451 ( -5.087 6.325 -5.438) 9.770 9.021 ( -7.928 -7.310 -10.583) 15.110 9.600 ( 3.865 8.012 -17.967) 20.048 9.881 ( -7.083 -1.038 -13.575) 15.347 10.193 ( 12.535 3.366 -5.561) 14.121 10.439 ( 2.076 0.877 7.544) 7.873 10.820 ( 5.450 -7.512 10.715) 14.175 11.182 ( -6.398 -12.770 20.649) 25.108 11.466 ( 9.005 13.464 5.264) 17.032 11.696 ( 1.722 3.160 0.896) 3.709 11.811 ( 1.365 1.313 5.788) 6.090 11.895 ( -3.609 8.319 6.583) 11.206 12.304 ( 6.259 -4.987 7.516) 10.979 12.470 ( 3.286 -2.339 -1.136) 4.191 12.915 ( -7.055 -2.891 4.280) 8.743 13.157 ( -12.357 -8.857 7.868) 17.119 13.992 ( 6.137 16.998 -8.290) 19.883 14.566 ( -7.679 4.823 10.053) 13.539 15.726 ( 8.335 -12.620 -10.151) 18.215 15.925 ( 2.517 -25.437 -11.897) 28.194 16.924 ( 0.556 11.504 -14.422) 18.457 17.107 ( -3.815 2.706 -12.585) 13.426 17.205 ( -1.205 5.477 -13.822) 14.916 17.456 ( -6.774 3.116 -12.346) 14.423 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 10.222 9.388 12.375) 18.594 3.204 ( -7.278 10.616 9.277) 15.866 3.867 ( 12.992 -2.897 15.750) 20.622 4.009 ( 0.091 1.808 12.736) 12.864 4.283 ( 18.325 -1.333 19.051) 26.467 4.506 ( -1.605 -10.413 26.524) 28.540 4.613 ( -4.364 -7.632 27.314) 28.695 4.674 ( -13.586 -22.530 1.615) 26.359 5.498 ( -1.722 8.149 6.716) 10.699 5.560 ( -7.742 9.127 4.111) 12.655 6.296 ( 7.089 10.105 27.382) 30.036 6.412 ( -5.064 6.863 28.773) 30.010 6.679 ( 7.924 -0.481 37.580) 38.410 6.828 ( -6.703 -0.880 31.774) 32.486 7.563 ( 14.032 3.831 5.183) 15.442 7.617 ( 7.202 0.065 3.278) 7.913 7.734 ( -6.162 0.652 -2.162) 6.562 7.964 ( -18.053 1.237 2.790) 18.309 8.561 ( 13.716 -10.979 -4.421) 18.116 8.826 ( -12.224 -10.418 -6.278) 17.244 9.679 ( 4.100 6.033 -16.704) 18.227 9.764 ( -4.992 3.164 -15.231) 16.338 10.388 ( 7.131 1.832 -1.397) 7.493 10.462 ( -0.649 1.158 3.981) 4.197 10.930 ( 5.988 -8.442 14.763) 18.029 11.054 ( -6.700 -10.193 19.040) 22.612 11.620 ( 6.695 14.231 7.333) 17.353 11.709 ( -1.608 8.977 5.372) 10.584 11.810 ( -0.131 3.383 3.038) 4.549 11.838 ( -2.313 0.604 1.140) 2.648 12.442 ( 7.156 -1.821 5.403) 9.150 12.522 ( 0.408 0.069 -0.493) 0.643 12.815 ( -1.212 -7.133 9.807) 12.187 12.921 ( -10.594 -7.558 9.804) 16.293 14.164 ( 10.735 10.306 -4.144) 15.447 14.380 ( -10.906 5.867 3.458) 12.858 15.871 ( 5.984 -14.393 -12.831) 20.189 15.942 ( -1.218 -19.034 -13.940) 23.624 16.951 ( 2.452 11.966 -14.834) 19.216 17.021 ( -4.532 8.602 -13.701) 16.800 17.232 ( 3.573 -0.351 -12.168) 12.687 17.328 ( -6.063 0.423 -11.985) 13.438 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.000 13.919 22.642) 26.578 2.399 ( 0.000 7.613 21.303) 22.622 2.918 ( 0.000 -16.531 18.576) 24.866 2.955 ( 0.000 -16.778 23.051) 28.511 4.681 ( 0.000 11.017 11.860) 16.187 4.699 ( 0.000 10.473 39.545) 40.909 5.001 ( 0.000 17.050 5.014) 17.772 5.314 ( 0.000 -2.369 -0.509) 2.423 5.530 ( 0.000 -0.905 9.523) 9.566 5.844 ( 0.000 -20.051 17.202) 26.419 6.203 ( 0.000 8.925 20.848) 22.679 6.482 ( 0.000 -16.057 32.280) 36.053 6.728 ( 0.000 1.914 24.479) 24.554 6.778 ( 0.000 -3.026 18.677) 18.920 7.170 ( 0.000 12.419 16.756) 20.857 7.346 ( 0.000 -3.952 13.566) 14.130 8.016 ( 0.000 0.502 3.600) 3.635 8.064 ( 0.000 -3.926 4.398) 5.896 8.625 ( 0.000 6.314 -13.822) 15.196 8.760 ( 0.000 -7.012 -17.575) 18.922 9.771 ( 0.000 11.682 -8.662) 14.543 9.925 ( 0.000 15.247 -17.329) 23.082 10.015 ( 0.000 -11.166 -5.264) 12.345 10.219 ( 0.000 -12.914 -16.968) 21.323 10.907 ( 0.000 12.285 17.669) 21.520 11.074 ( 0.000 -1.466 11.894) 11.984 11.402 ( 0.000 -3.685 13.229) 13.733 11.420 ( 0.000 -4.768 13.199) 14.034 11.679 ( 0.000 -1.223 -0.055) 1.224 11.716 ( 0.000 -6.916 -0.770) 6.959 12.253 ( 0.000 7.002 4.070) 8.099 12.363 ( 0.000 -3.426 4.630) 5.760 13.310 ( 0.000 0.416 -9.484) 9.493 13.325 ( 0.000 -0.900 -11.401) 11.436 14.682 ( 0.000 20.224 4.918) 20.813 14.690 ( 0.000 15.866 10.222) 18.874 15.102 ( 0.000 -19.306 0.885) 19.326 15.129 ( 0.000 -26.844 8.943) 28.295 16.993 ( 0.000 3.155 -11.668) 12.087 17.074 ( 0.000 -4.757 -11.783) 12.707 17.765 ( 0.000 8.751 -17.388) 19.465 17.816 ( 0.000 2.865 -15.152) 15.420 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 8.372 8.560 24.445) 27.220 2.566 ( 14.520 4.383 16.285) 22.254 2.940 ( 7.770 -5.175 23.143) 24.955 3.170 ( 16.129 -18.968 15.768) 29.472 4.621 ( -7.798 12.842 8.755) 17.389 4.641 ( -5.739 8.877 31.148) 32.893 4.804 ( -11.424 11.933 18.600) 24.877 5.149 ( -15.765 -18.168 -1.558) 24.104 5.687 ( 14.100 13.772 12.887) 23.549 5.983 ( 6.832 -11.257 17.841) 22.174 6.229 ( 2.659 8.498 21.356) 23.138 6.520 ( 2.510 -15.995 30.063) 34.145 6.697 ( -2.416 2.166 24.698) 24.911 6.768 ( -0.252 -4.807 21.100) 21.642 7.168 ( 1.207 9.194 12.264) 15.375 7.303 ( -3.776 -2.832 13.419) 14.225 7.946 ( -5.930 1.063 3.431) 6.933 8.021 ( -3.683 -5.586 4.411) 8.014 8.690 ( 5.094 8.240 -14.110) 17.115 8.849 ( 6.993 -7.408 -17.014) 19.831 9.810 ( 1.400 10.973 -13.132) 17.170 9.917 ( 1.899 12.973 -10.979) 17.101 10.026 ( -0.724 -8.813 -9.943) 13.307 10.194 ( -0.284 -12.658 -11.018) 16.784 10.839 ( -4.589 10.611 15.897) 19.656 11.076 ( -2.504 -10.541 15.847) 19.197 11.392 ( 5.048 7.992 11.087) 14.570 11.546 ( 7.096 -3.969 11.993) 14.489 11.698 ( 2.252 0.399 -0.004) 2.287 11.793 ( 6.835 -10.075 0.625) 12.190 12.232 ( -1.991 7.477 4.699) 9.052 12.352 ( -0.953 -3.987 4.686) 6.226 13.240 ( -5.899 2.494 -7.895) 10.166 13.306 ( -3.311 -3.779 -8.330) 9.728 14.532 ( -6.885 22.189 3.321) 23.469 14.827 ( 3.047 12.436 10.338) 16.457 15.071 ( 2.487 -23.371 -2.116) 23.598 15.221 ( 6.210 -20.284 6.022) 22.052 16.995 ( 0.311 3.310 -11.764) 12.225 17.076 ( 0.212 -4.616 -11.833) 12.703 17.706 ( -5.698 9.266 -16.978) 20.164 17.774 ( -4.344 1.986 -15.172) 15.906 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 15.125 8.506 21.643) 27.740 2.892 ( 18.266 -9.686 15.554) 25.873 3.216 ( 18.519 9.346 18.025) 27.481 3.513 ( 17.726 -15.656 10.113) 25.721 4.384 ( -12.296 16.453 7.760) 21.957 4.527 ( -5.723 3.808 23.269) 24.263 4.644 ( -7.173 1.260 28.511) 29.427 4.842 ( -15.150 -17.656 2.556) 23.405 5.902 ( 5.077 8.893 12.791) 16.385 5.983 ( -6.481 2.501 16.457) 17.863 6.298 ( 4.255 8.918 23.398) 25.399 6.502 ( -3.031 -8.235 32.106) 33.284 6.688 ( 0.372 2.394 26.580) 26.691 6.799 ( 3.456 -6.050 29.558) 30.368 7.244 ( 1.423 2.201 12.686) 12.954 7.292 ( 10.354 -3.541 -0.269) 10.946 7.828 ( -5.470 1.453 3.648) 6.734 7.939 ( -4.680 -7.641 2.916) 9.423 8.748 ( -0.822 10.283 -12.867) 16.492 8.940 ( 0.522 -8.318 -15.047) 17.201 9.773 ( -2.643 9.395 -16.343) 19.035 9.932 ( -5.580 -5.786 -12.900) 15.199 10.076 ( 10.593 8.347 -7.069) 15.227 10.272 ( 6.958 -9.504 -2.618) 12.067 10.772 ( -1.957 7.802 15.422) 17.394 10.999 ( -4.247 -13.278 18.028) 22.789 11.549 ( 9.373 11.150 10.645) 18.041 11.673 ( 5.875 -1.094 8.504) 10.394 11.757 ( 3.476 3.119 -0.262) 4.678 11.943 ( 7.629 -12.168 5.333) 15.320 12.191 ( -1.568 8.574 5.341) 10.223 12.339 ( 0.043 -5.500 4.251) 6.951 13.092 ( -9.183 3.116 -3.072) 10.172 13.189 ( -8.574 -6.210 -2.436) 10.863 14.424 ( -4.069 23.068 -3.032) 23.619 14.770 ( -6.531 -2.023 6.670) 9.551 15.231 ( 11.299 -11.576 -5.509) 17.089 15.360 ( 7.957 -16.645 2.554) 18.625 17.010 ( 1.307 3.353 -12.148) 12.670 17.082 ( 0.434 -3.721 -12.133) 12.698 17.564 ( -8.424 9.560 -16.328) 20.711 17.655 ( -7.648 0.396 -14.952) 16.799 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 16.967 11.585 16.675) 26.461 3.262 ( 18.926 -12.816 14.469) 27.052 3.530 ( 11.134 12.943 10.534) 20.062 3.805 ( 11.768 -10.731 5.251) 16.769 4.238 ( -1.765 13.902 12.014) 18.458 4.443 ( -4.820 -0.355 29.310) 29.706 4.508 ( -6.389 -5.498 27.754) 29.006 4.560 ( -11.966 -16.767 6.098) 21.482 5.779 ( -11.382 6.074 11.933) 17.574 5.849 ( -9.671 0.444 8.636) 12.973 6.397 ( 5.476 9.146 29.063) 30.956 6.520 ( 5.145 -2.191 35.540) 35.978 6.661 ( -2.588 8.191 30.084) 31.286 6.837 ( -0.825 -6.780 28.986) 29.780 7.383 ( 13.578 7.953 7.157) 17.287 7.549 ( 11.782 -3.204 -3.418) 12.680 7.760 ( -0.931 -3.577 4.583) 5.888 7.852 ( -2.654 -9.724 0.398) 10.088 8.625 ( -11.523 10.000 -7.931) 17.195 8.838 ( -10.562 -10.031 -10.056) 17.701 9.758 ( 1.038 6.265 -16.257) 17.453 9.847 ( -2.660 -2.599 -14.495) 14.964 10.288 ( 10.142 5.681 -4.304) 12.395 10.407 ( 5.983 -4.669 -0.009) 7.589 10.766 ( 1.160 3.402 15.312) 15.728 10.926 ( -3.258 -10.923 18.703) 21.903 11.705 ( 5.641 5.545 6.450) 10.206 11.771 ( 3.929 -0.959 5.748) 7.028 11.826 ( 4.064 9.973 3.552) 11.340 12.033 ( 0.497 -3.172 14.905) 15.247 12.228 ( 6.717 3.275 2.317) 7.824 12.375 ( 4.119 -6.923 2.193) 8.349 12.892 ( -11.239 1.581 1.633) 11.466 12.985 ( -12.001 -7.008 2.603) 14.139 14.378 ( -0.638 18.375 -7.111) 19.713 14.627 ( -7.598 -2.704 1.236) 8.159 15.445 ( 9.880 -8.937 -6.983) 15.042 15.513 ( 7.103 -13.239 -2.137) 15.176 17.049 ( 2.769 3.329 -13.081) 13.779 17.102 ( 2.048 -1.858 -12.885) 13.179 17.396 ( -8.565 8.387 -15.454) 19.559 17.491 ( -8.922 -0.831 -14.537) 17.076 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 12.632 14.449 10.603) 21.927 3.453 ( -2.593 7.261 6.838) 10.306 3.773 ( 18.420 -1.393 13.994) 23.175 4.002 ( 10.236 -10.098 4.938) 15.203 4.127 ( -14.789 -3.981 11.554) 19.185 4.240 ( -14.029 -13.135 7.698) 20.703 4.441 ( 6.514 3.286 36.112) 36.842 4.530 ( -0.686 -4.383 33.901) 34.190 5.611 ( -4.067 3.773 6.842) 8.808 5.655 ( -7.908 0.197 6.243) 10.078 6.495 ( 4.708 7.907 32.710) 33.980 6.575 ( -3.017 3.603 36.727) 37.027 6.673 ( 6.110 2.669 25.554) 26.410 6.782 ( -4.428 -4.126 26.819) 27.493 7.644 ( 2.594 2.609 2.600) 4.505 7.705 ( -2.431 1.090 3.434) 4.346 7.716 ( 15.856 6.626 -0.621) 17.196 7.935 ( 1.703 -7.305 -1.651) 7.681 8.406 ( -4.161 0.714 -2.003) 4.673 8.575 ( -14.947 -12.285 -4.235) 19.806 9.790 ( 1.755 3.743 -16.411) 16.923 9.817 ( -1.072 1.100 -15.835) 15.909 10.440 ( 5.118 2.864 -1.719) 6.111 10.479 ( 1.074 -0.226 0.346) 1.151 10.808 ( 2.842 -2.046 15.957) 16.337 10.866 ( -3.055 -6.974 17.765) 19.328 11.773 ( 2.190 1.406 0.259) 2.615 11.800 ( -0.427 -1.126 0.093) 1.208 11.923 ( 4.922 11.588 15.090) 19.652 12.000 ( -3.006 6.137 16.965) 18.290 12.411 ( 10.788 0.421 2.782) 11.149 12.497 ( 7.182 -4.271 0.054) 8.356 12.673 ( -9.863 -2.831 5.479) 11.632 12.746 ( -11.878 -7.798 4.594) 14.933 14.401 ( 3.039 10.326 -6.939) 12.807 14.492 ( -6.064 2.413 -3.638) 7.472 15.589 ( 4.495 -9.086 -7.087) 12.368 15.609 ( 2.294 -10.619 -5.559) 12.203 17.117 ( 4.358 4.883 -14.594) 15.995 17.168 ( 3.712 1.241 -15.155) 15.652 17.249 ( -5.194 4.187 -13.160) 14.754 17.323 ( -7.971 -1.602 -13.621) 15.862 ======================= Grid point 180 (61/120) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 0.000 0.000 32.516) 32.516 2.881 ( 0.000 0.000 24.535) 24.535 3.732 ( 0.000 0.000 1.350) 1.350 3.887 ( 0.000 0.000 22.989) 22.989 4.187 ( 0.000 0.000 -4.434) 4.434 4.650 ( 0.000 0.000 13.453) 13.453 5.129 ( 0.000 0.000 19.175) 19.175 5.375 ( 0.000 0.000 41.716) 41.716 5.952 ( 0.000 0.000 -11.327) 11.327 6.011 ( 0.000 0.000 1.466) 1.466 6.701 ( 0.000 0.000 -11.544) 11.544 6.844 ( 0.000 0.000 23.631) 23.631 7.206 ( 0.000 0.000 22.808) 22.808 7.565 ( 0.000 0.000 41.355) 41.355 7.664 ( 0.000 0.000 19.577) 19.577 7.974 ( 0.000 0.000 44.675) 44.675 8.158 ( 0.000 0.000 5.419) 5.419 8.211 ( 0.000 0.000 -9.538) 9.538 8.367 ( 0.000 0.000 8.912) 8.912 8.588 ( 0.000 0.000 -16.582) 16.582 9.069 ( 0.000 0.000 -13.305) 13.305 9.311 ( 0.000 0.000 -9.639) 9.639 9.928 ( 0.000 0.000 -24.569) 24.569 10.555 ( 0.000 0.000 0.161) 0.161 10.781 ( 0.000 0.000 -9.664) 9.664 10.856 ( 0.000 0.000 10.370) 10.370 11.703 ( 0.000 0.000 9.131) 9.131 11.755 ( 0.000 0.000 -1.478) 1.478 11.790 ( 0.000 0.000 -0.420) 0.420 12.204 ( 0.000 0.000 20.624) 20.624 12.246 ( 0.000 0.000 3.217) 3.217 12.516 ( 0.000 0.000 13.076) 13.076 12.974 ( 0.000 0.000 -19.127) 19.127 13.149 ( 0.000 0.000 -4.815) 4.815 14.421 ( 0.000 0.000 13.143) 13.143 14.596 ( 0.000 0.000 8.287) 8.287 15.509 ( 0.000 0.000 -2.470) 2.470 16.348 ( 0.000 0.000 -2.515) 2.515 16.474 ( 0.000 0.000 -19.236) 19.236 16.841 ( 0.000 0.000 -11.889) 11.889 17.000 ( 0.000 0.000 -14.993) 14.993 17.334 ( 0.000 0.000 -11.830) 11.830 ======================= Grid point 181 (62/120) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 16.256 0.000 28.222) 32.569 2.920 ( 3.726 0.000 23.631) 23.923 3.743 ( 1.080 0.000 1.059) 1.513 3.902 ( 1.708 0.000 22.623) 22.688 4.129 ( -4.682 0.000 0.106) 4.683 4.726 ( 7.424 0.000 13.118) 15.073 5.230 ( 8.906 0.000 16.414) 18.675 5.386 ( -0.513 0.000 37.321) 37.324 5.830 ( -9.819 0.000 3.352) 10.376 5.887 ( -6.749 0.000 -10.290) 12.305 6.739 ( -10.963 0.000 23.363) 25.808 6.973 ( 20.852 0.000 -9.339) 22.847 7.175 ( -2.634 0.000 22.844) 22.996 7.525 ( -3.691 0.000 40.178) 40.347 7.631 ( -3.346 0.000 18.670) 18.967 7.933 ( -4.074 0.000 30.504) 30.775 8.118 ( -1.483 0.000 18.275) 18.335 8.182 ( -4.097 0.000 -4.024) 5.742 8.360 ( 0.497 0.000 4.533) 4.560 8.718 ( 10.833 0.000 -16.489) 19.730 9.062 ( -0.921 0.000 -13.035) 13.067 9.423 ( 10.964 0.000 -9.145) 14.277 9.885 ( -4.402 0.000 -21.704) 22.146 10.539 ( -1.113 0.000 1.143) 1.596 10.830 ( 5.004 0.000 -9.409) 10.657 10.921 ( 6.027 0.000 9.499) 11.249 11.666 ( -2.165 0.000 2.405) 3.236 11.786 ( 2.992 0.000 -1.089) 3.184 11.849 ( 3.714 0.000 7.538) 8.403 12.133 ( -6.628 0.000 18.821) 19.954 12.295 ( 4.676 0.000 0.987) 4.779 12.533 ( 1.188 0.000 14.729) 14.777 12.969 ( 0.921 0.000 -13.988) 14.019 13.168 ( 1.632 0.000 -7.910) 8.077 14.215 ( -15.133 0.000 12.286) 19.493 14.733 ( 7.895 0.000 9.473) 12.332 15.527 ( 1.753 0.000 -3.209) 3.657 16.358 ( 1.069 0.000 -3.228) 3.401 16.375 ( -9.800 0.000 -19.932) 22.211 16.829 ( -0.587 0.000 -11.998) 12.012 16.998 ( -0.730 0.000 -14.596) 14.614 17.315 ( -1.863 0.000 -11.704) 11.851 ======================= Grid point 182 (63/120) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 5.468 0.000 21.090) 21.787 3.199 ( 19.207 0.000 19.479) 27.355 3.777 ( 3.572 0.000 -0.566) 3.617 3.959 ( 4.353 0.000 21.364) 21.802 4.077 ( 1.116 0.000 9.637) 9.701 4.916 ( 11.511 0.000 12.997) 17.361 5.239 ( -10.274 0.000 5.781) 11.789 5.434 ( 7.842 0.000 34.436) 35.318 5.689 ( -13.503 0.000 -7.983) 15.686 5.858 ( 12.164 0.000 9.077) 15.178 6.429 ( -20.310 0.000 21.799) 29.794 7.114 ( -3.850 0.000 23.391) 23.706 7.342 ( 14.623 0.000 -3.004) 14.929 7.449 ( -3.232 0.000 36.732) 36.873 7.558 ( -3.239 0.000 19.642) 19.907 7.860 ( -2.219 0.000 21.130) 21.246 8.040 ( -9.748 0.000 0.285) 9.752 8.151 ( 5.601 0.000 22.247) 22.941 8.385 ( 0.470 0.000 0.896) 1.012 8.937 ( 10.775 0.000 -16.551) 19.749 9.022 ( -3.253 0.000 -10.623) 11.110 9.698 ( 16.299 0.000 -8.244) 18.265 9.766 ( -7.457 0.000 -16.722) 18.309 10.526 ( -0.188 0.000 1.952) 1.961 10.967 ( 8.798 0.000 -8.793) 12.438 11.063 ( 8.104 0.000 8.947) 12.072 11.637 ( -0.759 0.000 -0.432) 0.874 11.855 ( 3.452 0.000 -0.216) 3.459 11.886 ( -0.345 0.000 9.497) 9.503 11.975 ( -9.111 0.000 16.853) 19.158 12.385 ( 3.728 0.000 -1.736) 4.113 12.552 ( 0.882 0.000 15.879) 15.903 13.050 ( 5.635 0.000 1.845) 5.929 13.232 ( 7.658 0.000 -16.041) 17.775 13.892 ( -17.800 0.000 11.891) 21.406 14.832 ( 1.353 0.000 11.000) 11.083 15.576 ( 3.330 0.000 -5.472) 6.406 16.133 ( -13.668 0.000 -22.304) 26.159 16.389 ( 2.105 0.000 -5.133) 5.548 16.830 ( 0.428 0.000 -12.566) 12.574 16.961 ( -2.928 0.000 -13.295) 13.613 17.263 ( -3.427 0.000 -11.393) 11.897 ======================= Grid point 183 (64/120) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 5.310 0.000 17.614) 18.397 3.387 ( -0.386 0.000 10.766) 10.773 4.012 ( 20.932 0.000 1.899) 21.018 4.072 ( 7.080 0.000 19.048) 20.321 4.187 ( 8.894 0.000 15.247) 17.651 5.058 ( -6.345 0.000 9.205) 11.180 5.136 ( 9.195 0.000 14.013) 16.760 5.378 ( -17.165 0.000 -4.569) 17.763 5.541 ( 2.831 0.000 25.286) 25.444 5.984 ( -24.556 0.000 18.849) 30.956 6.190 ( 19.717 0.000 9.036) 21.689 7.013 ( -6.833 0.000 22.270) 23.294 7.400 ( -0.389 0.000 36.028) 36.030 7.522 ( -0.759 0.000 25.014) 25.025 7.536 ( 5.862 0.000 2.808) 6.500 7.841 ( -9.767 0.000 0.162) 9.768 7.849 ( 0.459 0.000 23.836) 23.840 8.317 ( -8.301 0.000 2.600) 8.699 8.356 ( 14.677 0.000 9.026) 17.231 8.950 ( -3.894 0.000 -6.260) 7.372 9.122 ( 8.332 0.000 -15.894) 17.946 9.606 ( -8.926 0.000 -13.539) 16.217 10.019 ( 16.015 0.000 -7.113) 17.524 10.522 ( -0.827 0.000 0.783) 1.138 11.154 ( 9.989 0.000 -8.072) 12.842 11.216 ( 7.251 0.000 8.266) 10.996 11.639 ( 0.698 0.000 0.374) 0.792 11.788 ( -9.356 0.000 15.287) 17.923 11.838 ( -3.840 0.000 5.790) 6.947 11.901 ( 0.251 0.000 1.980) 1.996 12.457 ( 4.587 0.000 -0.065) 4.587 12.577 ( 1.909 0.000 13.991) 14.121 13.088 ( -0.424 0.000 6.632) 6.645 13.542 ( -17.684 0.000 10.876) 20.760 13.543 ( 21.930 0.000 -10.359) 24.254 14.750 ( -10.418 0.000 11.201) 15.297 15.650 ( 4.059 0.000 -9.235) 10.088 15.903 ( -8.874 0.000 -23.802) 25.402 16.443 ( 3.622 0.000 -7.630) 8.446 16.799 ( -4.971 0.000 -13.677) 14.553 16.933 ( 1.557 0.000 -10.951) 11.061 17.186 ( -4.515 0.000 -11.060) 11.946 ======================= Grid point 184 (65/120) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 4.939 0.000 14.093) 14.933 3.315 ( -5.056 0.000 11.056) 12.157 4.217 ( 7.165 0.000 16.458) 17.950 4.293 ( 1.569 0.000 16.116) 16.193 4.486 ( 23.732 0.000 -1.771) 23.798 4.938 ( -22.056 0.000 -4.100) 22.434 5.077 ( 9.988 0.000 18.793) 21.282 5.309 ( -2.514 0.000 26.934) 27.051 5.543 ( -2.316 0.000 15.582) 15.753 5.558 ( -13.183 0.000 7.800) 15.317 6.559 ( 17.262 0.000 11.904) 20.968 6.838 ( -11.488 0.000 17.845) 21.223 7.429 ( 3.128 0.000 31.627) 31.781 7.496 ( -2.758 0.000 29.765) 29.892 7.633 ( 4.073 0.000 7.810) 8.808 7.698 ( -4.350 0.000 3.837) 5.800 7.893 ( 5.681 0.000 18.235) 19.099 8.091 ( -13.107 0.000 8.617) 15.686 8.649 ( 13.849 0.000 1.851) 13.972 8.854 ( -7.072 0.000 -2.314) 7.441 9.271 ( 7.492 0.000 -14.580) 16.392 9.429 ( -8.940 0.000 -13.115) 15.873 10.295 ( 11.891 0.000 -5.229) 12.990 10.466 ( -5.602 0.000 -2.256) 6.039 11.327 ( 6.457 0.000 -7.023) 9.540 11.336 ( 4.664 0.000 3.277) 5.700 11.620 ( -3.105 0.000 7.058) 7.710 11.629 ( -5.766 0.000 16.028) 17.034 11.805 ( 1.814 0.000 2.122) 2.792 11.868 ( -3.285 0.000 2.177) 3.941 12.563 ( 5.209 0.000 3.884) 6.498 12.610 ( 0.507 0.000 9.270) 9.283 13.094 ( 2.547 0.000 8.533) 8.905 13.238 ( -12.506 0.000 9.811) 15.895 14.000 ( 24.053 0.000 -1.924) 24.130 14.440 ( -20.415 0.000 5.683) 21.191 15.725 ( 3.440 0.000 -14.227) 14.637 15.789 ( -3.758 0.000 -19.903) 20.254 16.535 ( 5.951 0.000 -10.075) 11.701 16.668 ( -7.428 0.000 -12.151) 14.242 16.999 ( 4.464 0.000 -10.805) 11.691 17.092 ( -4.975 0.000 -10.859) 11.944 ======================= Grid point 189 (66/120) ======================= q-point: ( 0.00 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.000 5.406 29.461) 29.953 2.856 ( 0.000 -1.827 24.173) 24.242 3.552 ( 0.000 -12.931 10.356) 16.567 3.744 ( 0.000 -11.888 24.535) 27.263 4.319 ( 0.000 12.432 -5.551) 13.615 4.863 ( 0.000 16.414 10.079) 19.262 5.190 ( 0.000 2.991 12.488) 12.841 5.441 ( 0.000 3.001 27.196) 27.361 5.856 ( 0.000 -5.048 11.542) 12.597 6.106 ( 0.000 9.521 -3.712) 10.219 6.473 ( 0.000 -15.267 1.694) 15.361 6.966 ( 0.000 4.938 13.875) 14.728 7.203 ( 0.000 -0.277 22.123) 22.125 7.505 ( 0.000 -14.452 22.937) 27.111 7.633 ( 0.000 5.929 39.041) 39.489 7.961 ( 0.000 -1.428 38.454) 38.481 8.118 ( 0.000 -1.133 4.433) 4.575 8.281 ( 0.000 -5.253 5.108) 7.327 8.290 ( 0.000 4.742 -7.698) 9.041 8.555 ( 0.000 -3.554 -9.783) 10.409 9.210 ( 0.000 11.526 -15.688) 19.467 9.414 ( 0.000 9.281 -9.430) 13.231 9.872 ( 0.000 -5.387 -23.792) 24.394 10.308 ( 0.000 -15.861 -5.842) 16.903 10.964 ( 0.000 10.038 11.378) 15.174 11.004 ( 0.000 13.567 -2.512) 13.797 11.684 ( 0.000 -1.584 8.175) 8.327 11.711 ( 0.000 -3.220 -0.465) 3.253 11.753 ( 0.000 -4.099 4.309) 5.947 12.093 ( 0.000 -13.245 8.617) 15.801 12.231 ( 0.000 2.726 10.206) 10.563 12.497 ( 0.000 -2.414 5.446) 5.957 13.034 ( 0.000 5.027 -13.307) 14.225 13.167 ( 0.000 1.364 -2.365) 2.730 14.531 ( 0.000 10.022 11.116) 14.967 14.648 ( 0.000 5.345 7.207) 8.973 15.407 ( 0.000 -9.545 -0.950) 9.592 15.801 ( 0.000 -30.108 -2.863) 30.244 16.661 ( 0.000 3.775 -14.717) 15.193 16.920 ( 0.000 -5.743 -14.170) 15.289 17.119 ( 0.000 18.918 -14.575) 23.881 17.420 ( 0.000 5.907 -13.439) 14.680 ======================= Grid point 190 (67/120) ======================= q-point: ( 0.11 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 14.297 3.848 24.744) 28.835 2.905 ( 5.485 -0.745 24.056) 24.685 3.571 ( 2.427 -11.424 12.839) 17.357 3.815 ( 6.333 -9.654 19.811) 22.930 4.256 ( -5.650 12.130 -2.245) 13.568 4.832 ( -0.562 8.902 12.420) 15.291 5.271 ( 3.353 -1.465 7.181) 8.060 5.407 ( -5.550 -0.178 24.161) 24.791 5.760 ( -0.989 2.229 11.513) 11.769 6.062 ( -2.539 13.626 1.363) 13.928 6.652 ( 4.846 -9.276 15.389) 18.610 6.938 ( 3.196 -2.333 0.825) 4.042 7.176 ( -1.836 -0.166 22.118) 22.194 7.508 ( 0.235 -11.152 21.663) 24.366 7.593 ( -3.962 5.602 38.179) 38.791 7.904 ( -5.130 -2.426 27.728) 28.303 8.074 ( -2.613 -1.747 16.075) 16.379 8.230 ( -4.302 0.447 2.094) 4.806 8.346 ( 3.459 1.449 -1.589) 4.073 8.648 ( 8.050 -4.961 -13.645) 16.602 9.214 ( 0.195 11.536 -15.143) 19.037 9.509 ( 9.512 7.870 -9.148) 15.365 9.834 ( -3.843 -4.825 -21.020) 21.907 10.344 ( 3.474 -14.428 -4.930) 15.638 10.888 ( -2.740 7.762 5.645) 9.981 11.144 ( 9.329 14.376 2.667) 17.344 11.663 ( -0.999 -0.166 1.746) 2.018 11.729 ( -1.349 -8.970 12.004) 15.046 11.771 ( 3.113 -2.096 1.000) 3.883 12.122 ( 2.130 -6.538 4.675) 8.315 12.245 ( 2.266 0.267 10.333) 10.581 12.501 ( 0.261 -2.969 7.293) 7.879 13.029 ( 0.299 4.689 -9.418) 10.525 13.170 ( 0.016 0.155 -5.144) 5.147 14.319 ( -14.232 9.785 9.411) 19.669 14.802 ( 8.152 6.668 8.782) 13.713 15.408 ( 0.221 -11.661 -2.390) 11.905 15.776 ( -2.422 -28.155 -4.398) 28.600 16.653 ( -0.687 4.941 -14.488) 15.322 16.918 ( -0.380 -5.176 -14.001) 14.932 17.072 ( -4.308 17.608 -14.055) 22.938 17.395 ( -2.675 5.326 -13.252) 14.530 ======================= Grid point 191 (68/120) ======================= q-point: ( 0.22 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 7.254 1.325 20.435) 21.725 3.233 ( 19.237 2.152 17.489) 26.088 3.653 ( 6.047 -7.902 11.754) 15.400 3.952 ( 7.210 -5.030 14.463) 16.926 4.164 ( -1.662 10.173 6.574) 12.226 4.890 ( 6.608 -0.892 13.994) 15.502 5.164 ( -11.625 -8.373 2.438) 14.532 5.291 ( -5.887 -9.044 19.940) 22.673 5.880 ( 4.309 16.555 13.896) 22.039 6.064 ( 7.496 15.447 5.890) 18.152 6.459 ( -17.999 2.161 20.073) 27.048 7.054 ( -1.061 -6.905 12.862) 14.637 7.250 ( 10.976 -6.148 10.939) 16.672 7.510 ( -3.215 5.450 33.053) 33.653 7.521 ( 1.412 -4.843 20.211) 20.831 7.803 ( -4.442 -3.610 18.515) 19.379 8.056 ( -0.253 -3.340 23.629) 23.866 8.107 ( -5.971 -0.456 3.636) 7.006 8.410 ( 2.157 3.117 -2.023) 4.297 8.794 ( 5.442 -7.007 -13.765) 16.376 9.219 ( 0.769 11.401 -13.749) 17.877 9.713 ( -1.657 -2.576 -16.941) 17.216 9.774 ( 10.178 4.646 -7.698) 13.581 10.426 ( 4.361 -9.919 -3.052) 11.257 10.881 ( 2.126 2.003 4.260) 5.165 11.341 ( 10.448 15.406 2.447) 18.775 11.652 ( -2.217 -7.878 8.972) 12.144 11.659 ( -2.963 -2.689 4.827) 6.270 11.845 ( 3.760 -1.327 1.655) 4.317 12.130 ( -1.420 5.863 6.809) 9.097 12.337 ( 6.035 -4.474 3.945) 8.485 12.502 ( 0.166 -3.758 11.465) 12.067 13.060 ( 1.127 0.755 3.684) 3.926 13.181 ( 2.924 -3.953 -12.077) 13.040 14.037 ( -13.807 13.074 6.520) 20.102 14.890 ( -0.523 4.909 10.437) 11.546 15.425 ( 2.106 -15.495 -7.355) 17.281 15.725 ( -2.229 -20.518 -7.713) 22.033 16.639 ( -0.628 7.981 -13.981) 16.111 16.897 ( -1.851 -3.107 -13.588) 14.061 16.983 ( -4.010 12.450 -12.980) 18.428 17.318 ( -5.073 3.633 -12.663) 14.117 ======================= Grid point 192 (69/120) ======================= q-point: ( 0.33 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 7.036 4.482 16.494) 18.483 3.452 ( 1.309 5.579 9.332) 10.951 3.871 ( 17.510 -9.306 10.633) 22.501 4.096 ( 8.164 -2.526 11.484) 14.315 4.245 ( 8.793 6.609 13.255) 17.225 4.959 ( -9.104 -10.582 6.184) 15.268 5.036 ( 2.076 -7.155 14.708) 16.488 5.157 ( -1.209 -8.021 15.522) 17.514 5.826 ( -6.421 14.984 13.398) 21.101 6.024 ( -21.988 3.790 18.580) 29.035 6.384 ( 16.835 15.732 5.971) 23.803 6.988 ( -4.487 -1.878 18.081) 18.724 7.363 ( 1.302 -3.949 29.824) 30.113 7.503 ( 0.484 -0.373 27.313) 27.320 7.580 ( 4.396 2.705 8.573) 10.007 7.755 ( 0.102 -4.494 17.328) 17.902 7.912 ( -8.980 2.001 6.296) 11.148 8.181 ( 5.661 -9.729 12.955) 17.162 8.409 ( -0.299 3.406 1.950) 3.936 8.832 ( -1.261 -7.517 -7.773) 10.887 9.262 ( 3.655 9.041 -14.513) 17.485 9.589 ( -7.149 -1.617 -14.274) 16.046 10.060 ( 14.795 3.884 -6.694) 16.698 10.486 ( 1.303 -4.352 -1.973) 4.953 10.967 ( 6.403 -4.327 3.012) 8.294 11.451 ( -4.467 -4.088 2.271) 6.467 11.610 ( 5.909 10.014 10.381) 15.587 11.687 ( 3.249 2.005 1.978) 4.300 11.892 ( 0.702 -0.974 2.997) 3.229 12.072 ( -4.524 11.536 7.115) 14.289 12.439 ( 4.654 -1.786 -0.735) 5.038 12.538 ( 3.810 -3.967 15.347) 16.302 13.021 ( -3.577 -5.403 4.876) 8.109 13.258 ( -0.160 -12.569 1.974) 12.724 13.874 ( 0.753 17.124 -2.532) 17.327 14.755 ( -12.777 -0.911 7.936) 15.069 15.503 ( 5.522 -12.611 -11.162) 17.723 15.699 ( -0.771 -11.795 -10.012) 15.491 16.633 ( 0.197 10.180 -13.546) 16.946 16.839 ( -4.235 2.480 -13.403) 14.273 16.944 ( 0.388 3.176 -11.789) 12.215 17.206 ( -6.174 1.320 -11.859) 13.434 ======================= Grid point 193 (70/120) ======================= q-point: ( 0.44 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 5.847 6.752 12.334) 15.228 3.394 ( -5.020 7.324 9.169) 12.763 4.195 ( 11.832 -3.486 15.362) 19.701 4.297 ( 8.342 -1.803 14.497) 16.822 4.374 ( 7.491 -6.917 0.773) 10.225 4.706 ( -17.889 -16.523 1.932) 24.428 5.071 ( 11.171 0.357 24.426) 26.862 5.275 ( 0.837 -2.776 28.040) 28.189 5.629 ( -11.438 5.227 6.617) 14.210 5.679 ( -9.094 8.010 8.675) 14.904 6.688 ( 13.091 11.115 10.465) 20.111 6.880 ( -7.148 4.236 15.707) 17.769 7.402 ( 3.379 -2.882 31.177) 31.492 7.476 ( -3.261 -2.379 29.782) 30.054 7.646 ( 3.198 1.623 6.867) 7.747 7.738 ( -5.934 3.247 6.173) 9.158 7.872 ( 9.067 -1.299 15.300) 17.832 8.095 ( -11.565 0.017 9.983) 15.277 8.555 ( 11.986 -7.489 4.624) 14.870 8.751 ( -7.264 -8.390 -0.756) 11.123 9.347 ( 4.916 5.691 -15.313) 17.060 9.456 ( -6.348 2.031 -14.466) 15.928 10.312 ( 10.632 1.630 -5.206) 11.950 10.459 ( -4.416 -0.850 -3.132) 5.481 11.116 ( 8.656 -7.903 2.879) 12.070 11.293 ( -9.365 -9.395 3.332) 13.678 11.740 ( 5.365 7.695 4.060) 10.222 11.780 ( 4.039 9.410 6.528) 12.144 11.880 ( -0.161 3.589 3.950) 5.339 11.964 ( -6.167 14.323 6.881) 17.045 12.539 ( 5.382 -2.022 2.830) 6.408 12.600 ( 0.511 -0.945 9.503) 9.564 12.989 ( 2.185 -9.766 7.179) 12.316 13.125 ( -10.040 -10.212 9.667) 17.278 14.082 ( 17.146 7.121 -4.044) 19.001 14.440 ( -18.443 -0.399 1.763) 18.532 15.610 ( 4.793 -8.977 -11.892) 15.652 15.676 ( -2.033 -8.298 -11.369) 14.221 16.661 ( 2.960 8.947 -13.267) 16.274 16.744 ( -5.139 6.277 -13.303) 15.582 16.991 ( 4.059 -0.665 -11.172) 11.905 17.089 ( -5.768 -0.541 -11.260) 12.663 ======================= Grid point 198 (71/120) ======================= q-point: ( 0.00 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 0.000 3.202 21.508) 21.745 2.836 ( 0.000 0.181 21.318) 21.319 3.363 ( 0.000 -2.273 24.270) 24.376 3.482 ( 0.000 -11.502 27.572) 29.874 4.664 ( 0.000 19.549 -5.865) 20.410 5.056 ( 0.000 -15.880 -2.817) 16.128 5.209 ( 0.000 15.498 8.871) 17.857 5.445 ( 0.000 -5.280 11.522) 12.674 5.855 ( 0.000 7.996 16.673) 18.492 6.137 ( 0.000 -16.414 8.327) 18.405 6.461 ( 0.000 22.746 14.487) 26.968 6.911 ( 0.000 -15.292 18.280) 23.833 7.193 ( 0.000 -0.542 20.267) 20.274 7.219 ( 0.000 -6.361 20.408) 21.376 7.776 ( 0.000 7.012 34.561) 35.265 7.900 ( 0.000 -4.649 33.036) 33.361 8.132 ( 0.000 2.294 7.754) 8.086 8.195 ( 0.000 -3.446 7.911) 8.629 8.381 ( 0.000 4.100 -8.898) 9.797 8.467 ( 0.000 -4.348 -8.669) 9.698 9.470 ( 0.000 12.632 -18.390) 22.310 9.662 ( 0.000 14.022 -9.614) 17.002 9.710 ( 0.000 -10.063 -21.453) 23.696 9.975 ( 0.000 -15.887 -8.618) 18.073 11.227 ( 0.000 12.692 12.695) 17.952 11.256 ( 0.000 9.335 4.227) 10.247 11.623 ( 0.000 -4.513 8.520) 9.642 11.651 ( 0.000 -1.516 6.780) 6.947 11.673 ( 0.000 -1.692 -0.196) 1.704 11.770 ( 0.000 -15.273 9.646) 18.064 12.313 ( 0.000 4.851 0.270) 4.858 12.417 ( 0.000 -4.870 -0.651) 4.913 13.138 ( 0.000 4.065 -4.590) 6.131 13.183 ( 0.000 -0.340 -0.679) 0.760 14.800 ( 0.000 14.857 6.318) 16.145 14.834 ( 0.000 12.725 4.034) 13.350 15.146 ( 0.000 -14.342 3.242) 14.703 15.238 ( 0.000 -22.964 2.160) 23.066 16.727 ( 0.000 3.353 -14.166) 14.557 16.809 ( 0.000 -4.658 -13.919) 14.678 17.421 ( 0.000 9.246 -16.246) 18.693 17.502 ( 0.000 0.830 -15.371) 15.393 ======================= Grid point 199 (72/120) ======================= q-point: ( 0.11 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 6.850 1.553 20.560) 21.727 2.935 ( 10.931 0.369 19.365) 22.240 3.428 ( 6.659 0.232 23.881) 24.793 3.574 ( 8.695 -11.539 23.386) 27.489 4.589 ( -6.963 18.758 -3.782) 20.363 4.939 ( -8.870 -8.777 0.358) 12.484 5.156 ( -5.325 2.541 8.858) 10.643 5.321 ( -10.242 -7.868 14.632) 19.517 6.000 ( 14.704 17.319 13.859) 26.612 6.367 ( 15.990 -15.940 13.072) 26.090 6.442 ( -1.867 20.121 10.609) 22.823 6.821 ( -7.923 -12.253 12.625) 19.295 7.174 ( -0.873 0.652 20.973) 21.002 7.256 ( 3.308 -9.097 21.383) 23.471 7.727 ( -4.361 6.380 33.795) 34.668 7.837 ( -5.230 -4.183 29.195) 29.953 8.085 ( -4.056 2.828 13.091) 13.994 8.169 ( -3.412 -4.531 10.620) 12.040 8.437 ( 4.846 5.428 -9.881) 12.271 8.545 ( 6.615 -4.978 -12.075) 14.641 9.461 ( -0.936 11.605 -17.858) 21.318 9.667 ( -1.689 -5.148 -19.696) 20.428 9.750 ( 6.362 8.945 -8.678) 13.993 10.031 ( 5.660 -15.021 -7.366) 17.662 11.115 ( -5.511 13.030 9.631) 17.115 11.343 ( 1.672 -3.212 8.740) 9.460 11.597 ( 2.068 4.705 8.951) 10.322 11.682 ( 1.974 1.936 1.167) 3.001 11.717 ( 4.116 -2.784 3.765) 6.234 11.879 ( 8.719 -14.016 7.839) 18.274 12.314 ( 0.211 4.667 1.918) 5.050 12.417 ( -0.007 -4.888 0.650) 4.931 13.121 ( -1.473 3.606 -3.075) 4.962 13.166 ( -1.907 -0.848 -1.556) 2.603 14.607 ( -11.279 17.746 3.743) 21.357 15.004 ( 8.595 12.006 5.669) 15.816 15.035 ( -8.022 -21.726 0.042) 23.160 15.310 ( 4.683 -17.127 2.613) 17.947 16.729 ( 0.266 3.510 -14.069) 14.502 16.812 ( 0.218 -4.579 -13.829) 14.569 17.369 ( -5.012 9.604 -15.819) 19.173 17.463 ( -4.000 0.139 -15.098) 15.620 ======================= Grid point 200 (73/120) ======================= q-point: ( 0.22 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 11.152 4.976 18.204) 21.920 3.208 ( 16.028 -5.347 14.851) 22.495 3.601 ( 9.927 4.533 18.662) 21.619 3.775 ( 10.790 -10.236 15.913) 21.781 4.455 ( -4.995 16.577 2.920) 17.557 4.793 ( -5.419 -13.621 2.586) 14.886 5.025 ( -6.654 1.858 14.132) 15.731 5.137 ( -8.521 -6.762 16.368) 19.653 6.244 ( 0.404 15.642 20.083) 25.459 6.389 ( -2.793 9.846 17.810) 20.541 6.492 ( -0.456 4.713 5.174) 7.013 6.800 ( 8.589 -16.178 0.025) 18.317 7.202 ( 4.561 2.231 23.447) 23.991 7.344 ( 5.671 -10.255 21.920) 24.856 7.639 ( -3.660 6.021 29.772) 30.594 7.736 ( -4.553 -3.408 24.146) 24.806 8.004 ( -3.382 0.495 18.276) 18.593 8.064 ( -6.878 -3.859 10.417) 13.066 8.522 ( 2.736 6.768 -8.739) 11.387 8.660 ( 3.996 -6.367 -12.069) 14.219 9.439 ( -1.102 9.483 -15.704) 18.378 9.608 ( -3.820 -6.798 -17.171) 18.858 9.938 ( 11.935 10.234 -6.462) 16.998 10.178 ( 8.818 -12.548 -5.927) 16.443 11.035 ( -2.674 11.331 8.982) 14.704 11.306 ( -3.967 -13.752 10.658) 17.845 11.705 ( 3.958 5.145 3.757) 7.500 11.746 ( 6.948 9.996 1.340) 12.247 11.806 ( 5.430 1.270 6.216) 8.351 12.069 ( 10.581 -11.778 5.030) 16.613 12.322 ( 0.608 3.968 5.417) 6.743 12.417 ( 0.005 -4.541 4.272) 6.235 13.077 ( -4.156 0.988 2.859) 5.140 13.109 ( -3.279 -2.443 -3.995) 5.716 14.393 ( -10.171 20.499 -0.290) 22.885 14.838 ( -11.310 -18.643 -0.383) 21.809 15.182 ( 8.960 4.414 0.970) 10.035 15.399 ( 4.480 -13.131 1.252) 13.931 16.740 ( 0.930 3.639 -13.961) 14.457 16.816 ( 0.285 -3.855 -13.589) 14.128 17.243 ( -7.526 9.655 -14.876) 19.265 17.353 ( -7.003 -1.218 -14.347) 16.011 ======================= Grid point 201 (74/120) ======================= q-point: ( 0.33 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 10.819 9.110 13.410) 19.490 3.497 ( 11.036 -6.120 8.420) 15.171 3.773 ( 9.230 4.931 12.803) 16.535 3.962 ( 8.621 -9.574 10.366) 16.536 4.431 ( 0.843 10.695 9.869) 14.577 4.679 ( -9.017 -13.309 6.536) 17.354 4.976 ( 1.494 0.451 20.343) 20.403 5.034 ( 2.443 -4.638 19.376) 20.072 6.052 ( -15.099 6.447 14.208) 21.712 6.099 ( -18.958 1.770 16.033) 24.891 6.727 ( 13.760 15.126 3.839) 20.806 6.937 ( 4.798 -4.665 7.238) 9.858 7.300 ( 3.114 0.901 29.208) 29.387 7.427 ( 0.728 -7.817 26.478) 27.617 7.648 ( 4.777 3.301 13.043) 14.277 7.690 ( 1.546 -1.408 16.942) 17.071 7.927 ( -6.482 0.391 10.623) 12.451 7.992 ( 2.739 -6.771 19.779) 21.085 8.515 ( -3.490 6.793 -2.377) 7.998 8.672 ( -2.866 -7.915 -5.871) 10.264 9.431 ( 0.406 6.732 -15.392) 16.805 9.536 ( -3.254 -3.635 -15.424) 16.177 10.175 ( 11.633 7.058 -5.945) 14.849 10.341 ( 7.082 -8.491 -5.090) 12.172 11.010 ( 0.007 7.218 7.452) 10.375 11.217 ( -5.041 -11.990 8.679) 15.637 11.751 ( 2.288 4.066 1.983) 5.070 11.831 ( 1.650 -2.651 2.831) 4.215 11.996 ( 12.191 17.920 8.403) 23.245 12.263 ( 6.322 2.997 1.512) 7.158 12.355 ( 5.262 -5.805 9.057) 11.976 12.423 ( 1.372 -5.199 8.109) 9.730 12.942 ( -9.117 -0.311 2.655) 9.501 13.033 ( -5.821 -8.504 3.042) 10.745 14.247 ( -3.942 18.661 -5.435) 19.832 14.609 ( -11.847 -14.248 -3.189) 18.802 15.347 ( 7.813 0.772 -2.222) 8.159 15.478 ( 3.334 -9.610 -1.361) 10.263 16.766 ( 1.763 4.013 -14.206) 14.867 16.830 ( 1.383 -2.277 -13.397) 13.659 17.095 ( -7.256 7.988 -13.746) 17.476 17.204 ( -8.033 -2.317 -13.334) 15.738 ======================= Grid point 202 (75/120) ======================= q-point: ( 0.44 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 6.576 10.288 7.655) 14.411 3.564 ( -2.080 5.556 4.570) 7.489 4.035 ( 15.534 -6.662 10.117) 19.698 4.129 ( 7.937 -11.174 6.676) 15.245 4.369 ( -6.807 2.055 14.433) 16.090 4.441 ( -13.654 -6.660 12.701) 19.801 5.115 ( 12.319 3.602 27.245) 30.117 5.201 ( 7.924 -4.182 27.696) 29.109 5.730 ( -13.072 4.010 6.224) 15.024 5.772 ( -13.954 0.684 6.327) 15.337 6.931 ( 6.810 9.762 8.058) 14.373 6.991 ( 0.362 4.279 8.260) 9.310 7.329 ( 1.576 -2.284 32.605) 32.723 7.385 ( -3.654 -5.828 30.239) 31.012 7.702 ( 2.729 3.380 5.861) 7.295 7.763 ( -2.214 -1.803 4.279) 5.145 7.914 ( 8.873 6.128 16.035) 19.323 8.053 ( -0.913 -5.196 13.283) 14.292 8.450 ( 0.513 0.107 6.841) 6.861 8.561 ( -7.750 -8.794 3.357) 12.193 9.451 ( 1.500 3.622 -16.585) 17.042 9.485 ( -2.087 0.249 -16.358) 16.492 10.360 ( 6.846 2.921 -5.190) 9.074 10.422 ( 0.680 -2.693 -4.714) 5.472 11.036 ( 2.835 0.345 5.895) 6.551 11.116 ( -5.058 -6.813 6.231) 10.527 11.801 ( 2.559 2.156 3.136) 4.586 11.837 ( -0.910 -1.078 3.637) 3.901 12.197 ( 7.055 18.636 9.941) 22.269 12.275 ( -2.000 12.829 7.731) 15.112 12.488 ( 7.387 -2.923 1.772) 8.139 12.556 ( 8.352 -5.945 11.590) 15.473 12.757 ( -7.002 -7.218 2.063) 10.266 12.866 ( -10.816 -12.827 7.271) 18.286 14.254 ( 4.391 8.496 -7.417) 12.102 14.396 ( -9.659 -4.529 -5.857) 12.170 15.470 ( 4.519 -2.660 -4.123) 6.671 15.514 ( 0.019 -6.119 -3.691) 7.146 16.812 ( 3.038 5.188 -14.654) 15.839 16.858 ( 0.001 2.079 -14.587) 14.735 16.993 ( -1.520 2.109 -11.929) 12.209 17.058 ( -6.477 -2.643 -12.199) 14.062 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 0.000 0.000 19.391) 19.391 3.321 ( 0.000 0.000 18.927) 18.927 3.745 ( 0.000 0.000 0.562) 0.562 4.226 ( 0.000 0.000 9.206) 9.206 4.388 ( 0.000 0.000 24.261) 24.261 4.870 ( 0.000 0.000 8.385) 8.385 5.309 ( 0.000 0.000 3.523) 3.523 5.732 ( 0.000 0.000 -9.319) 9.319 5.966 ( 0.000 0.000 6.575) 6.575 6.345 ( 0.000 0.000 35.700) 35.700 6.468 ( 0.000 0.000 -11.093) 11.093 7.295 ( 0.000 0.000 19.820) 19.820 7.586 ( 0.000 0.000 13.928) 13.928 8.025 ( 0.000 0.000 14.824) 14.824 8.027 ( 0.000 0.000 -18.399) 18.399 8.033 ( 0.000 0.000 -7.824) 7.824 8.295 ( 0.000 0.000 15.422) 15.422 8.332 ( 0.000 0.000 25.093) 25.093 8.545 ( 0.000 0.000 7.357) 7.357 8.852 ( 0.000 0.000 -6.694) 6.694 9.072 ( 0.000 0.000 38.019) 38.019 9.122 ( 0.000 0.000 -4.498) 4.498 9.395 ( 0.000 0.000 -26.397) 26.397 10.518 ( 0.000 0.000 -2.922) 2.922 10.573 ( 0.000 0.000 -10.481) 10.481 10.996 ( 0.000 0.000 3.348) 3.348 11.682 ( 0.000 0.000 -4.452) 4.452 11.819 ( 0.000 0.000 3.335) 3.335 11.826 ( 0.000 0.000 2.060) 2.060 12.327 ( 0.000 0.000 5.074) 5.074 12.592 ( 0.000 0.000 -17.567) 17.567 12.607 ( 0.000 0.000 17.573) 17.573 12.860 ( 0.000 0.000 20.636) 20.636 13.141 ( 0.000 0.000 3.488) 3.488 14.675 ( 0.000 0.000 11.280) 11.280 14.725 ( 0.000 0.000 4.533) 4.533 15.468 ( 0.000 0.000 -1.616) 1.616 16.042 ( 0.000 0.000 -22.821) 22.821 16.300 ( 0.000 0.000 -2.142) 2.142 16.588 ( 0.000 0.000 -12.555) 12.555 16.695 ( 0.000 0.000 -14.550) 14.550 17.097 ( 0.000 0.000 -11.086) 11.086 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 9.845 0.000 16.930) 19.584 3.345 ( 2.205 0.000 18.191) 18.324 3.737 ( -0.919 0.000 -0.443) 1.021 4.246 ( 2.503 0.000 11.757) 12.021 4.387 ( 0.044 0.000 23.108) 23.108 4.935 ( 6.493 0.000 7.840) 10.180 5.325 ( 0.146 0.000 0.921) 0.933 5.684 ( -5.064 0.000 -8.539) 9.928 5.918 ( -2.896 0.000 4.560) 5.402 6.131 ( -6.573 0.000 23.745) 24.638 6.874 ( 25.063 0.000 4.053) 25.388 7.199 ( -10.605 0.000 20.879) 23.418 7.560 ( -2.021 0.000 14.484) 14.625 7.884 ( -6.140 0.000 3.749) 7.194 7.989 ( -2.241 0.000 -7.918) 8.229 8.161 ( 4.532 0.000 4.488) 6.378 8.253 ( -6.002 0.000 28.430) 29.057 8.387 ( 6.885 0.000 0.721) 6.923 8.473 ( -6.402 0.000 4.038) 7.569 8.838 ( -0.466 0.000 -8.210) 8.224 9.059 ( -1.746 0.000 40.188) 40.226 9.255 ( 12.845 0.000 -6.647) 14.463 9.436 ( 2.745 0.000 -20.497) 20.680 10.515 ( -0.180 0.000 -2.557) 2.563 10.626 ( 5.359 0.000 -10.286) 11.598 11.046 ( 4.762 0.000 2.560) 5.406 11.713 ( -3.900 0.000 3.179) 5.032 11.724 ( 4.074 0.000 -3.917) 5.652 11.968 ( 6.116 0.000 2.341) 6.549 12.334 ( 1.083 0.000 3.043) 3.230 12.494 ( -9.639 0.000 16.236) 18.882 12.639 ( 6.130 0.000 -15.582) 16.744 12.906 ( 2.935 0.000 21.186) 21.389 13.155 ( 1.341 0.000 4.238) 4.445 14.425 ( -15.929 0.000 7.930) 17.794 14.907 ( 8.963 0.000 7.629) 11.771 15.474 ( 0.592 0.000 -1.977) 2.063 15.935 ( -10.751 0.000 -22.840) 25.244 16.297 ( -0.233 0.000 -2.705) 2.715 16.573 ( -0.934 0.000 -12.995) 13.029 16.706 ( 0.602 0.000 -13.489) 13.502 17.082 ( -1.485 0.000 -10.847) 10.948 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 2.737 0.000 16.239) 16.468 3.542 ( 11.122 0.000 13.306) 17.342 3.731 ( 3.315 0.000 -3.148) 4.572 4.341 ( 7.414 0.000 15.628) 17.298 4.398 ( 1.313 0.000 20.095) 20.138 5.107 ( 10.792 0.000 6.497) 12.596 5.266 ( -5.300 0.000 0.799) 5.360 5.529 ( -10.925 0.000 -6.450) 12.687 5.988 ( 9.164 0.000 8.010) 12.171 6.061 ( -0.959 0.000 16.554) 16.582 6.880 ( -21.541 0.000 21.016) 30.094 7.335 ( 20.957 0.000 5.820) 21.750 7.499 ( -5.269 0.000 13.418) 14.415 7.827 ( 0.844 0.000 7.791) 7.836 7.992 ( 3.526 0.000 3.295) 4.826 8.131 ( -5.741 0.000 24.764) 25.421 8.134 ( -7.166 0.000 8.161) 10.860 8.394 ( -0.912 0.000 -1.580) 1.824 8.521 ( 6.101 0.000 -3.157) 6.869 8.839 ( 0.164 0.000 -7.324) 7.326 9.021 ( -1.636 0.000 31.438) 31.480 9.456 ( -1.084 0.000 -12.145) 12.193 9.560 ( 17.392 0.000 -4.515) 17.969 10.513 ( -0.158 0.000 -2.102) 2.108 10.771 ( 9.194 0.000 -10.019) 13.598 11.159 ( 6.102 0.000 0.221) 6.106 11.673 ( -0.158 0.000 4.195) 4.198 11.823 ( 5.487 0.000 -2.404) 5.990 11.997 ( -2.948 0.000 1.089) 3.142 12.281 ( -11.713 0.000 13.704) 18.028 12.381 ( 3.747 0.000 1.082) 3.900 12.879 ( 18.004 0.000 -12.765) 22.070 12.938 ( 0.256 0.000 21.104) 21.105 13.197 ( 3.594 0.000 7.181) 8.031 14.084 ( -18.874 0.000 6.780) 20.055 15.042 ( 3.934 0.000 9.676) 10.446 15.489 ( 0.909 0.000 -3.114) 3.244 15.655 ( -16.418 0.000 -24.329) 29.351 16.293 ( -0.140 0.000 -4.262) 4.264 16.558 ( -1.050 0.000 -14.071) 14.110 16.710 ( 0.183 0.000 -10.796) 10.798 17.040 ( -2.832 0.000 -10.222) 10.607 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 2.122 0.000 13.727) 13.890 3.579 ( -2.731 0.000 7.904) 8.363 4.005 ( 20.011 0.000 -2.040) 20.115 4.440 ( 2.922 0.000 15.439) 15.713 4.514 ( 9.043 0.000 16.358) 18.691 5.204 ( 1.286 0.000 6.438) 6.565 5.233 ( -12.797 0.000 -0.793) 12.821 5.366 ( 8.958 0.000 2.923) 9.423 5.964 ( -5.501 0.000 13.684) 14.748 6.312 ( 18.906 0.000 3.433) 19.216 6.399 ( -27.074 0.000 19.669) 33.465 7.338 ( -11.443 0.000 9.248) 14.713 7.640 ( 10.480 0.000 8.949) 13.781 7.878 ( 1.291 0.000 9.970) 10.053 8.007 ( -2.187 0.000 15.760) 15.911 8.037 ( -2.205 0.000 24.006) 24.107 8.144 ( 8.993 0.000 9.428) 13.029 8.360 ( -3.665 0.000 0.673) 3.726 8.611 ( 3.761 0.000 0.907) 3.869 8.835 ( -0.601 0.000 -5.835) 5.866 9.019 ( 1.860 0.000 14.957) 15.072 9.391 ( -5.507 0.000 -6.244) 8.325 9.898 ( 16.867 0.000 -4.012) 17.337 10.494 ( -2.363 0.000 -2.309) 3.304 10.966 ( 10.398 0.000 -9.871) 14.337 11.252 ( 2.939 0.000 -3.505) 4.574 11.713 ( 4.176 0.000 5.926) 7.250 11.903 ( -5.392 0.000 0.952) 5.476 11.908 ( 2.643 0.000 -0.020) 2.643 12.058 ( -10.821 0.000 10.949) 15.394 12.485 ( 7.277 0.000 2.040) 7.558 12.919 ( -2.273 0.000 18.630) 18.768 13.157 ( 6.052 0.000 -1.488) 6.232 13.427 ( 23.470 0.000 0.799) 23.483 13.713 ( -18.630 0.000 5.825) 19.519 14.947 ( -16.586 0.000 6.434) 17.790 15.435 ( -2.907 0.000 -20.299) 20.506 15.505 ( 0.496 0.000 -4.997) 5.022 16.298 ( 0.911 0.000 -6.554) 6.617 16.511 ( -3.971 0.000 -14.323) 14.863 16.734 ( 2.555 0.000 -8.418) 8.797 16.974 ( -3.924 0.000 -9.426) 10.210 ======================= Grid point 229 (80/120) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 1.904 0.000 11.295) 11.455 3.523 ( -2.610 0.000 9.124) 9.490 4.389 ( 16.823 0.000 -6.108) 17.898 4.498 ( 2.081 0.000 7.730) 8.005 4.636 ( 5.030 0.000 16.727) 17.467 4.894 ( -18.735 0.000 3.342) 19.031 5.391 ( 17.830 0.000 11.902) 21.437 5.590 ( 10.135 0.000 3.783) 10.818 5.824 ( -8.717 0.000 10.430) 13.593 5.873 ( -25.080 0.000 19.037) 31.486 6.697 ( 19.908 0.000 2.956) 20.126 7.059 ( -16.959 0.000 5.108) 17.711 7.774 ( 4.144 0.000 11.556) 12.276 7.835 ( -3.042 0.000 11.081) 11.491 8.039 ( 2.524 0.000 21.146) 21.296 8.059 ( 2.795 0.000 22.232) 22.407 8.252 ( 0.942 0.000 15.719) 15.747 8.270 ( -3.751 0.000 7.846) 8.697 8.709 ( 6.243 0.000 -0.738) 6.286 8.805 ( -3.016 0.000 -4.200) 5.171 9.099 ( 6.396 0.000 1.903) 6.673 9.251 ( -8.409 0.000 -2.645) 8.816 10.194 ( 13.303 0.000 -3.726) 13.815 10.400 ( -7.694 0.000 -3.095) 8.293 11.152 ( 8.232 0.000 -9.393) 12.490 11.260 ( -2.445 0.000 -7.267) 7.667 11.798 ( 2.771 0.000 7.596) 8.086 11.849 ( 1.954 0.000 2.155) 2.909 11.877 ( -6.680 0.000 8.984) 11.195 11.915 ( -2.563 0.000 2.075) 3.297 12.662 ( 10.306 0.000 5.321) 11.598 12.838 ( -6.668 0.000 12.367) 14.050 13.242 ( 4.882 0.000 6.223) 7.910 13.401 ( -12.408 0.000 6.370) 13.948 13.951 ( 28.448 0.000 -3.299) 28.639 14.495 ( -26.998 0.000 -1.874) 27.063 15.460 ( 2.745 0.000 -10.809) 11.153 15.500 ( -1.129 0.000 -7.353) 7.439 16.336 ( 3.180 0.000 -9.359) 9.885 16.418 ( -4.984 0.000 -12.235) 13.211 16.803 ( 4.270 0.000 -8.179) 9.226 16.891 ( -4.541 0.000 -8.676) 9.793 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 0.000 0.874 18.618) 18.638 3.298 ( 0.000 -1.953 19.394) 19.492 3.767 ( 0.000 1.905 8.560) 8.769 4.264 ( 0.000 -10.496 24.421) 26.581 4.295 ( 0.000 8.231 5.892) 10.122 5.017 ( 0.000 12.438 5.273) 13.509 5.239 ( 0.000 -8.365 -1.717) 8.540 5.660 ( 0.000 -3.159 0.382) 3.182 6.000 ( 0.000 -0.715 -0.124) 0.725 6.376 ( 0.000 -8.031 -7.761) 11.168 6.513 ( 0.000 16.752 35.078) 38.873 7.338 ( 0.000 3.358 18.741) 19.039 7.575 ( 0.000 -1.115 13.977) 14.021 7.839 ( 0.000 -12.870 5.534) 14.010 8.036 ( 0.000 0.787 -6.071) 6.122 8.096 ( 0.000 1.660 -4.676) 4.962 8.303 ( 0.000 0.648 10.707) 10.727 8.409 ( 0.000 6.778 27.194) 28.026 8.486 ( 0.000 -4.724 8.722) 9.919 8.799 ( 0.000 -3.795 4.172) 5.639 9.115 ( 0.000 2.854 23.682) 23.853 9.227 ( 0.000 9.561 -8.570) 12.839 9.363 ( 0.000 -2.949 -24.562) 24.738 10.167 ( 0.000 -18.095 -7.451) 19.569 10.915 ( 0.000 17.170 -5.620) 18.067 11.128 ( 0.000 11.905 4.722) 12.807 11.673 ( 0.000 -0.560 -3.142) 3.191 11.800 ( 0.000 -2.196 2.482) 3.314 11.823 ( 0.000 -0.606 4.182) 4.226 12.267 ( 0.000 -6.157 7.181) 9.459 12.322 ( 0.000 -10.235 -4.224) 11.073 12.635 ( 0.000 -16.023 9.636) 18.697 12.920 ( 0.000 14.889 3.899) 15.391 13.253 ( 0.000 5.772 10.241) 11.756 14.748 ( 0.000 6.703 9.692) 11.784 14.754 ( 0.000 3.026 3.326) 4.497 15.398 ( 0.000 -6.496 0.050) 6.497 15.677 ( 0.000 -23.653 -9.534) 25.502 16.359 ( 0.000 2.797 -14.044) 14.320 16.627 ( 0.000 -5.245 -14.132) 15.074 16.841 ( 0.000 16.238 -12.367) 20.411 17.154 ( 0.000 3.975 -12.328) 12.953 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 7.095 -0.459 17.140) 18.556 3.337 ( 4.765 -0.822 17.499) 18.155 3.772 ( 0.230 3.064 6.192) 6.912 4.265 ( 0.842 -6.036 19.269) 20.210 4.318 ( 2.186 3.650 12.527) 13.230 5.009 ( 0.509 4.849 5.640) 7.455 5.261 ( 0.180 -5.861 -1.538) 6.062 5.608 ( -6.178 -4.906 -0.837) 7.933 5.951 ( 1.300 3.871 3.870) 5.626 6.310 ( -2.953 12.103 10.356) 16.200 6.806 ( 20.686 -3.511 13.798) 25.112 7.231 ( -11.496 2.065 19.774) 22.966 7.556 ( -1.013 -0.611 14.702) 14.750 7.803 ( -1.086 -8.226 6.045) 10.266 8.003 ( -3.479 2.087 -4.757) 6.252 8.172 ( 5.556 0.359 3.273) 6.458 8.267 ( -8.374 0.855 18.003) 19.874 8.382 ( 5.128 -0.398 1.098) 5.260 8.472 ( -3.800 1.201 14.288) 14.833 8.786 ( -0.951 -4.066 7.209) 8.331 9.096 ( -1.581 2.852 17.620) 17.920 9.305 ( 7.155 2.784 -11.728) 14.017 9.438 ( 6.755 2.014 -13.820) 15.514 10.217 ( 4.852 -16.680 -6.660) 18.604 10.891 ( -1.477 14.239 -3.793) 14.809 11.202 ( 6.513 13.347 1.847) 14.966 11.700 ( 1.261 -0.086 0.698) 1.444 11.756 ( 0.787 1.631 -0.112) 1.814 11.899 ( 1.778 -6.674 4.183) 8.075 12.223 ( -0.376 -8.291 2.796) 8.758 12.366 ( 1.798 -4.824 3.056) 5.987 12.674 ( 4.122 -14.270 6.314) 16.140 12.907 ( -0.509 13.011 3.518) 13.488 13.249 ( -0.613 4.758 10.519) 11.561 14.483 ( -15.452 5.624 6.145) 17.555 14.959 ( 9.328 4.736 6.436) 12.283 15.369 ( -3.607 -11.142 -1.786) 11.847 15.630 ( -4.077 -18.370 -9.588) 21.119 16.363 ( 0.383 3.150 -13.273) 13.647 16.629 ( 0.089 -4.622 -13.831) 14.583 16.807 ( -3.184 14.865 -11.749) 19.213 17.133 ( -2.121 3.478 -12.013) 12.685 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 4.012 0.153 15.907) 16.406 3.535 ( 11.763 -1.328 11.508) 16.509 3.775 ( 1.488 4.337 1.701) 4.890 4.307 ( 3.053 -7.095 17.571) 19.194 4.394 ( 6.421 4.668 15.437) 17.359 5.063 ( 4.234 -5.768 4.684) 8.553 5.220 ( -2.449 -2.246 3.817) 5.060 5.445 ( -9.557 -5.535 0.235) 11.046 6.120 ( 14.253 11.037 2.734) 18.233 6.237 ( -5.219 13.955 11.110) 18.585 6.896 ( -21.169 1.128 20.751) 29.665 7.166 ( 12.002 -11.859 8.160) 18.742 7.579 ( 4.961 3.632 15.572) 16.742 7.825 ( 1.928 -1.264 9.268) 9.550 7.943 ( -0.645 -2.413 4.763) 5.379 8.101 ( -7.268 -1.598 13.940) 15.802 8.223 ( -2.634 5.809 11.071) 12.777 8.395 ( -1.148 0.395 4.502) 4.663 8.506 ( 6.028 -1.213 -3.360) 7.007 8.767 ( -0.924 -5.788 13.810) 15.002 9.069 ( -0.991 3.794 6.710) 7.772 9.393 ( 0.679 -4.405 -11.887) 12.695 9.650 ( 14.683 6.971 -4.153) 16.776 10.331 ( 6.068 -12.830 -5.007) 15.050 10.886 ( 1.339 8.833 -3.048) 9.440 11.335 ( 5.796 12.750 -3.357) 14.402 11.708 ( 1.372 3.292 5.065) 6.195 11.839 ( 4.430 -1.045 -0.450) 4.574 11.853 ( -3.218 -7.028 4.377) 8.883 12.262 ( 1.239 -2.767 5.120) 5.950 12.377 ( 0.410 -1.667 3.889) 4.251 12.794 ( 7.175 -12.184 8.663) 16.583 12.946 ( 5.572 6.309 -2.830) 8.880 13.231 ( -0.347 1.742 11.085) 11.226 14.161 ( -17.202 7.393 4.734) 19.312 15.090 ( 0.276 3.216 9.455) 9.991 15.247 ( -5.381 -19.175 -11.443) 22.969 15.563 ( -2.241 -5.958 -7.154) 9.576 16.372 ( 0.485 4.302 -11.922) 12.684 16.621 ( -1.209 -1.570 -13.041) 13.191 16.742 ( -2.729 9.436 -10.541) 14.408 17.073 ( -4.063 2.054 -11.111) 12.007 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 3.030 2.076 12.470) 13.000 3.619 ( -1.847 3.109 6.901) 7.791 3.969 ( 16.925 -2.700 0.842) 17.160 4.373 ( 3.710 -6.664 12.550) 14.686 4.555 ( 8.421 4.128 16.345) 18.844 5.046 ( -6.988 -9.898 5.371) 13.253 5.263 ( -0.226 0.110 7.136) 7.140 5.336 ( 8.217 -2.269 4.496) 9.637 6.094 ( -9.666 9.927 9.500) 16.800 6.397 ( -11.787 2.733 8.867) 15.000 6.470 ( 3.160 10.534 10.509) 15.211 7.227 ( -4.038 -8.545 7.823) 12.269 7.725 ( 5.887 6.200 10.566) 13.592 7.841 ( 1.063 -2.420 13.611) 13.866 7.986 ( 0.838 -1.815 16.873) 16.991 8.042 ( 4.152 -7.579 9.410) 12.775 8.135 ( -4.099 7.242 19.693) 21.379 8.393 ( -0.883 2.028 2.415) 3.275 8.598 ( 3.874 -1.246 2.405) 4.726 8.768 ( 1.131 -5.745 8.333) 10.184 9.061 ( 0.363 3.515 -1.551) 3.859 9.349 ( -4.736 -3.707 -7.523) 9.632 9.951 ( 15.351 4.817 -3.311) 16.426 10.417 ( 1.921 -6.946 -3.460) 7.994 10.950 ( 5.251 1.796 -3.875) 6.769 11.362 ( -3.559 3.169 -7.812) 9.151 11.781 ( 3.550 1.635 5.489) 6.738 11.803 ( 3.019 3.979 7.315) 8.858 11.939 ( 3.365 2.549 1.350) 4.432 12.199 ( -6.287 7.497 6.493) 11.743 12.443 ( 6.311 -3.543 0.918) 7.295 12.891 ( 1.780 -3.409 17.858) 18.267 13.037 ( 1.587 -9.102 -3.618) 9.923 13.326 ( 9.067 -7.343 6.298) 13.259 13.868 ( -9.469 11.950 0.783) 15.267 14.837 ( -19.860 -12.175 -2.397) 23.418 15.312 ( 6.429 -3.069 -5.170) 8.802 15.534 ( -1.229 -1.504 -5.833) 6.148 16.382 ( 0.713 5.644 -11.088) 12.462 16.571 ( -3.913 4.078 -12.514) 13.731 16.728 ( 1.415 1.085 -9.287) 9.456 16.981 ( -5.163 0.181 -9.951) 11.212 ======================= Grid point 238 (85/120) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 2.492 3.282 9.517) 10.371 3.566 ( -2.896 3.830 7.408) 8.828 4.303 ( 15.125 -7.376 -2.905) 17.076 4.434 ( 1.163 -6.818 4.145) 8.063 4.657 ( 3.138 2.017 17.342) 17.739 4.819 ( -13.557 -4.622 11.012) 18.067 5.428 ( 17.972 2.857 11.309) 21.425 5.584 ( 13.724 -0.866 4.141) 14.361 5.863 ( -15.175 2.799 9.868) 18.316 5.903 ( -23.618 2.654 16.075) 28.693 6.788 ( 16.475 7.995 1.486) 18.373 7.067 ( -11.807 0.751 4.467) 12.646 7.785 ( 2.114 0.278 9.476) 9.713 7.827 ( -2.089 -0.657 12.282) 12.476 8.029 ( 2.227 -0.992 22.969) 23.098 8.077 ( -2.411 -1.404 20.937) 21.122 8.171 ( 8.412 -0.508 13.211) 15.670 8.325 ( -6.312 2.000 10.383) 12.315 8.697 ( 5.974 -1.224 3.560) 7.061 8.776 ( -1.444 -2.856 2.855) 4.289 9.103 ( 4.433 0.579 -5.854) 7.366 9.226 ( -7.335 -2.203 -5.996) 9.727 10.218 ( 11.640 2.149 -3.054) 12.224 10.386 ( -5.291 -1.472 -2.874) 6.199 11.080 ( 7.826 -3.514 -5.078) 9.969 11.238 ( -8.017 -3.890 -6.599) 11.088 11.837 ( 4.337 2.280 4.961) 6.973 11.907 ( 0.648 5.019 5.006) 7.118 11.970 ( 3.108 10.058 4.322) 11.380 12.074 ( -5.969 13.493 4.195) 15.339 12.611 ( 10.493 -4.275 3.853) 11.968 12.811 ( -8.800 -2.152 9.552) 13.165 13.125 ( 7.805 -10.753 7.110) 15.070 13.308 ( -9.511 -9.466 8.362) 15.811 13.988 ( 19.013 3.837 -5.399) 20.134 14.414 ( -22.917 -7.016 -5.173) 24.519 15.426 ( 4.957 -1.490 -5.269) 7.386 15.499 ( -2.632 -1.072 -5.753) 6.417 16.412 ( 2.668 6.052 -11.132) 12.949 16.485 ( -4.514 5.741 -11.873) 13.939 16.786 ( 4.195 -1.516 -8.750) 9.822 16.879 ( -5.232 -1.280 -9.051) 10.532 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 0.000 0.705 18.396) 18.409 3.256 ( 0.000 -1.747 19.505) 19.583 3.843 ( 0.000 6.155 20.003) 20.929 4.026 ( 0.000 -11.057 23.866) 26.303 4.576 ( 0.000 17.620 -0.327) 17.623 4.957 ( 0.000 -17.545 -3.569) 17.904 5.310 ( 0.000 14.545 1.558) 14.628 5.566 ( 0.000 -8.638 0.683) 8.665 6.011 ( 0.000 4.621 2.007) 5.038 6.178 ( 0.000 -10.006 -1.956) 10.195 6.952 ( 0.000 23.152 27.967) 36.307 7.350 ( 0.000 -8.512 21.792) 23.396 7.540 ( 0.000 -2.121 13.698) 13.861 7.548 ( 0.000 -8.730 11.649) 14.557 8.070 ( 0.000 2.121 -5.566) 5.957 8.104 ( 0.000 -0.783 -5.819) 5.871 8.327 ( 0.000 1.859 9.486) 9.666 8.388 ( 0.000 -4.111 9.396) 10.256 8.569 ( 0.000 7.787 24.957) 26.144 8.708 ( 0.000 -5.371 17.815) 18.607 9.187 ( 0.000 4.147 -1.973) 4.593 9.281 ( 0.000 -4.644 -17.747) 18.345 9.478 ( 0.000 14.174 -8.450) 16.502 9.802 ( 0.000 -16.908 -8.235) 18.806 11.244 ( 0.000 13.916 -3.840) 14.436 11.382 ( 0.000 5.932 2.103) 6.294 11.692 ( 0.000 4.725 2.251) 5.234 11.751 ( 0.000 -2.093 3.257) 3.872 11.779 ( 0.000 -0.402 7.088) 7.100 12.031 ( 0.000 -16.787 13.378) 21.466 12.232 ( 0.000 1.521 -6.430) 6.608 12.347 ( 0.000 -9.585 -3.757) 10.295 13.185 ( 0.000 9.902 7.821) 12.618 13.304 ( 0.000 -1.431 11.074) 11.166 14.867 ( 0.000 7.924 -0.487) 7.939 14.916 ( 0.000 7.481 4.054) 8.509 15.225 ( 0.000 -8.952 4.267) 9.917 15.241 ( 0.000 -15.547 -0.930) 15.575 16.426 ( 0.000 3.782 -14.975) 15.445 16.517 ( 0.000 -4.982 -14.375) 15.214 17.110 ( 0.000 8.804 -13.957) 16.502 17.201 ( 0.000 -0.406 -13.767) 13.773 ======================= Grid point 244 (87/120) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 5.496 0.199 17.511) 18.354 3.311 ( 5.988 -1.383 17.047) 18.121 3.869 ( 2.248 6.734 16.915) 18.344 4.053 ( 2.561 -10.640 21.099) 23.768 4.557 ( -1.131 15.908 3.024) 16.232 4.898 ( -4.371 -14.943 -0.719) 15.586 5.289 ( -2.152 8.463 3.483) 9.402 5.475 ( -7.472 -8.273 2.048) 11.334 6.114 ( 11.173 11.135 0.373) 15.779 6.347 ( 12.195 -8.931 -5.307) 16.020 6.942 ( -1.219 15.766 27.544) 31.760 7.215 ( -12.758 -6.382 21.463) 25.772 7.538 ( 1.283 -0.513 14.679) 14.744 7.599 ( 4.758 -8.207 12.273) 15.512 8.069 ( -1.885 3.795 -1.584) 4.523 8.144 ( 1.366 -3.027 1.007) 3.470 8.298 ( -3.247 2.345 4.853) 6.292 8.352 ( 1.366 -2.437 1.804) 3.326 8.557 ( -2.410 6.126 24.794) 25.653 8.685 ( -2.268 -5.715 21.433) 22.297 9.173 ( -0.803 4.672 -6.571) 8.102 9.275 ( 0.477 -4.420 -15.714) 16.331 9.597 ( 10.194 11.848 -6.215) 16.820 9.883 ( 7.636 -15.319 -6.672) 18.371 11.192 ( -4.103 14.624 -1.368) 15.250 11.413 ( 1.402 -1.096 -1.014) 2.048 11.721 ( 3.037 2.512 3.340) 5.166 11.765 ( 0.348 -2.497 6.247) 6.737 11.808 ( 4.254 6.644 4.398) 9.032 12.062 ( 3.613 -10.307 9.044) 14.180 12.287 ( 3.926 -1.690 -2.214) 4.814 12.369 ( 3.307 -10.822 -3.853) 11.953 13.160 ( -2.235 9.812 6.992) 12.254 13.284 ( -2.133 -1.914 10.918) 11.287 14.664 ( -13.252 12.166 1.405) 18.045 14.973 ( -5.169 -14.371 -4.037) 15.797 15.152 ( 1.998 4.640 6.354) 8.118 15.343 ( 4.674 -11.024 1.152) 12.029 16.433 ( 0.719 3.826 -14.591) 15.101 16.524 ( 0.645 -4.922 -14.048) 14.899 17.068 ( -4.063 9.031 -13.428) 16.684 17.169 ( -3.266 -0.979 -13.350) 13.779 ======================= Grid point 245 (88/120) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( 6.805 2.185 14.271) 15.961 3.479 ( 10.068 -3.508 11.633) 15.779 3.910 ( 1.815 8.470 9.867) 13.130 4.112 ( 3.183 -10.490 14.574) 18.236 4.576 ( 3.824 12.074 10.432) 16.409 4.849 ( -0.070 -13.163 5.163) 14.139 5.241 ( -1.911 3.472 6.755) 7.831 5.334 ( -6.286 -5.127 4.649) 9.350 6.383 ( 14.229 12.481 -4.110) 19.369 6.488 ( -0.859 6.042 -1.709) 6.338 6.899 ( -18.366 -1.218 21.330) 28.173 6.933 ( 2.031 -7.998 17.498) 19.347 7.631 ( 8.393 2.560 18.225) 20.228 7.725 ( 7.776 -6.368 15.189) 18.214 7.976 ( -6.800 4.019 5.264) 9.492 8.054 ( -7.349 -3.077 8.512) 11.659 8.333 ( 3.059 4.343 0.923) 5.392 8.399 ( 0.909 -1.476 4.178) 4.524 8.512 ( 0.721 3.448 12.145) 12.646 8.631 ( -2.558 -6.848 23.944) 25.035 9.165 ( -0.317 5.473 -10.166) 11.550 9.287 ( -0.106 -5.822 -12.388) 13.688 9.829 ( 13.134 10.198 -3.663) 17.027 10.065 ( 10.254 -12.385 -4.434) 16.679 11.115 ( -3.505 12.964 -0.604) 13.443 11.382 ( -4.638 -10.488 -2.663) 11.773 11.782 ( 2.788 3.895 5.531) 7.317 11.823 ( 5.237 2.083 4.733) 7.360 11.929 ( 8.575 11.391 4.888) 15.072 12.164 ( 6.291 -7.198 5.085) 10.828 12.340 ( 2.293 0.280 -1.206) 2.605 12.491 ( 7.904 -14.390 0.831) 16.439 13.108 ( -3.226 7.768 4.890) 9.729 13.224 ( -3.697 -2.950 10.632) 11.637 14.390 ( -14.285 14.819 -0.494) 20.589 14.769 ( -13.239 -21.237 -5.923) 25.717 15.247 ( 5.599 7.811 4.654) 10.678 15.416 ( 2.935 -8.031 0.610) 8.572 16.454 ( 1.387 3.932 -13.759) 14.377 16.541 ( 1.125 -4.434 -13.038) 13.817 16.964 ( -6.279 8.969 -12.253) 16.432 17.079 ( -5.791 -2.187 -12.248) 13.723 ======================= Grid point 246 (89/120) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 4.985 4.812 9.043) 11.392 3.634 ( 4.041 -3.171 5.368) 7.430 3.983 ( 7.370 6.048 7.019) 11.839 4.179 ( 3.927 -10.958 9.006) 14.718 4.680 ( 4.719 7.502 14.493) 16.988 4.850 ( -2.154 -8.800 10.954) 14.215 5.266 ( 4.261 0.611 8.913) 9.898 5.292 ( 6.300 -1.828 7.182) 9.727 6.290 ( -16.226 7.958 6.869) 19.334 6.400 ( -20.603 -2.421 9.171) 22.681 6.756 ( 10.805 14.589 3.955) 18.581 7.025 ( 5.071 -11.106 5.271) 13.298 7.808 ( 3.696 0.220 18.445) 18.813 7.853 ( 0.454 5.420 9.986) 11.371 7.874 ( 3.501 -6.197 15.625) 17.170 7.944 ( -1.049 -3.348 11.930) 12.435 8.299 ( -3.966 7.719 17.998) 19.981 8.409 ( -1.203 -1.729 7.812) 8.091 8.575 ( 4.235 0.134 7.355) 8.488 8.638 ( 3.585 -5.605 10.980) 12.838 9.149 ( -1.423 4.791 -11.848) 12.859 9.254 ( -3.284 -5.157 -10.772) 12.386 10.081 ( 12.165 7.417 -2.557) 14.475 10.248 ( 7.875 -8.528 -3.011) 11.992 11.063 ( -1.696 8.432 -1.517) 8.734 11.262 ( -7.016 -9.611 -3.345) 12.361 11.837 ( 3.124 5.029 6.229) 8.594 11.915 ( 3.386 -0.997 4.978) 6.102 12.131 ( 11.097 15.527 5.151) 19.768 12.295 ( 7.418 0.552 1.742) 7.640 12.385 ( 2.222 1.337 -0.291) 2.610 12.644 ( 7.892 -17.730 5.730) 20.235 13.006 ( -7.919 5.269 5.914) 11.200 13.160 ( -3.299 -8.367 8.976) 12.707 14.153 ( -8.691 15.288 -4.129) 18.064 14.499 ( -13.938 -17.857 -7.427) 23.839 15.348 ( 4.652 4.673 1.839) 6.845 15.457 ( 1.203 -5.173 -0.684) 5.355 16.487 ( 2.066 4.546 -12.852) 13.788 16.570 ( 1.818 -3.175 -11.770) 12.325 16.841 ( -5.966 7.333 -11.072) 14.559 16.955 ( -6.754 -3.260 -10.900) 13.231 ======================= Grid point 247 (90/120) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 2.637 4.782 5.023) 7.420 3.646 ( -1.386 2.138 3.393) 4.243 4.166 ( 8.903 -3.063 3.728) 10.127 4.244 ( 1.208 -9.160 4.004) 10.070 4.709 ( -0.306 2.582 17.770) 17.960 4.755 ( -5.535 -2.070 17.118) 18.109 5.491 ( 18.761 3.055 9.759) 21.367 5.549 ( 17.724 -2.389 6.723) 19.106 5.919 ( -21.669 2.319 10.241) 24.079 5.943 ( -22.905 0.398 11.028) 25.424 6.972 ( 8.995 8.115 -0.177) 12.116 7.072 ( -1.056 -1.381 1.859) 2.545 7.770 ( -0.971 -0.601 9.169) 9.240 7.797 ( -3.366 -2.550 10.080) 10.929 8.006 ( 3.733 -0.933 22.426) 22.754 8.013 ( 3.661 -1.440 22.322) 22.666 8.262 ( 1.528 5.898 14.781) 15.987 8.343 ( -4.885 -1.081 11.280) 12.340 8.669 ( 4.389 -0.654 11.609) 12.428 8.701 ( 1.461 -3.485 10.581) 11.236 9.128 ( 0.124 1.804 -14.622) 14.733 9.174 ( -4.190 -2.550 -12.881) 13.783 10.275 ( 7.219 3.152 -2.110) 8.155 10.340 ( 0.892 -2.855 -2.216) 3.723 11.060 ( 1.692 1.607 -2.789) 3.636 11.134 ( -5.684 -5.036 -3.512) 8.367 11.901 ( 3.100 3.219 6.273) 7.702 11.941 ( -0.671 -0.280 6.234) 6.276 12.298 ( 5.751 15.486 1.805) 16.618 12.368 ( -1.333 13.031 2.072) 13.262 12.524 ( 12.911 -2.107 1.521) 13.170 12.759 ( -5.579 -9.402 -1.621) 11.052 12.864 ( 3.450 -4.728 15.693) 16.749 13.043 ( -9.161 -14.118 9.950) 19.551 14.101 ( 3.440 6.585 -7.550) 10.592 14.251 ( -11.016 -7.879 -8.236) 15.851 15.423 ( 2.998 1.100 -0.713) 3.272 15.461 ( -0.868 -2.233 -1.598) 2.880 16.537 ( 3.159 5.266 -12.004) 13.484 16.589 ( -0.969 1.828 -11.578) 11.762 16.768 ( -0.225 1.155 -9.928) 9.997 16.831 ( -5.568 -3.360 -9.897) 11.842 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 0.000 0.000 1.327) 1.327 3.656 ( 0.000 0.000 13.580) 13.580 3.807 ( 0.000 0.000 4.787) 4.787 4.528 ( 0.000 0.000 18.042) 18.042 4.782 ( 0.000 0.000 11.987) 11.987 5.001 ( 0.000 0.000 4.632) 4.632 5.331 ( 0.000 0.000 -0.500) 0.500 5.632 ( 0.000 0.000 1.248) 1.248 6.046 ( 0.000 0.000 2.756) 2.756 6.254 ( 0.000 0.000 -9.747) 9.747 6.998 ( 0.000 0.000 25.688) 25.688 7.649 ( 0.000 0.000 15.106) 15.106 7.681 ( 0.000 0.000 -14.227) 14.227 7.752 ( 0.000 0.000 1.371) 1.371 7.909 ( 0.000 0.000 -2.999) 2.999 8.201 ( 0.000 0.000 1.182) 1.182 8.496 ( 0.000 0.000 9.243) 9.243 8.662 ( 0.000 0.000 6.059) 6.059 8.822 ( 0.000 0.000 1.884) 1.884 8.838 ( 0.000 0.000 18.657) 18.657 8.902 ( 0.000 0.000 -20.518) 20.518 8.953 ( 0.000 0.000 -6.728) 6.728 9.841 ( 0.000 0.000 30.616) 30.616 10.367 ( 0.000 0.000 -9.148) 9.148 10.468 ( 0.000 0.000 -1.643) 1.643 11.014 ( 0.000 0.000 -0.782) 0.782 11.595 ( 0.000 0.000 -3.770) 3.770 11.801 ( 0.000 0.000 -3.151) 3.151 11.909 ( 0.000 0.000 4.903) 4.903 12.282 ( 0.000 0.000 -12.367) 12.367 12.447 ( 0.000 0.000 5.805) 5.805 12.900 ( 0.000 0.000 10.936) 10.936 13.243 ( 0.000 0.000 5.339) 5.339 13.346 ( 0.000 0.000 26.263) 26.263 14.788 ( 0.000 0.000 1.829) 1.829 14.851 ( 0.000 0.000 4.329) 4.329 15.443 ( 0.000 0.000 -0.868) 0.868 15.573 ( 0.000 0.000 -21.264) 21.264 16.263 ( 0.000 0.000 -1.442) 1.442 16.345 ( 0.000 0.000 -10.775) 10.775 16.427 ( 0.000 0.000 -11.045) 11.045 16.896 ( 0.000 0.000 -8.159) 8.159 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 6.552 0.000 0.256) 6.557 3.661 ( 0.445 0.000 12.579) 12.587 3.794 ( -1.306 0.000 5.095) 5.259 4.566 ( 3.850 0.000 17.525) 17.943 4.756 ( -2.330 0.000 10.978) 11.223 5.058 ( 5.448 0.000 4.315) 6.950 5.322 ( -1.276 0.000 -0.757) 1.484 5.599 ( -3.613 0.000 1.650) 3.972 5.978 ( -2.267 0.000 0.766) 2.393 6.283 ( 0.373 0.000 -1.966) 2.001 7.185 ( 17.148 0.000 19.486) 25.957 7.579 ( -9.140 0.000 16.450) 18.818 7.736 ( -2.083 0.000 1.717) 2.700 7.752 ( 7.148 0.000 -11.546) 13.580 7.901 ( 1.260 0.000 2.067) 2.421 8.231 ( 2.691 0.000 -1.210) 2.951 8.454 ( -14.136 0.000 -6.199) 15.435 8.502 ( 0.559 0.000 7.982) 8.002 8.659 ( -9.848 0.000 10.253) 14.216 8.760 ( -1.834 0.000 0.422) 1.882 9.131 ( 12.345 0.000 -7.959) 14.688 9.193 ( 15.933 0.000 1.501) 16.003 9.784 ( -5.407 0.000 28.417) 28.927 10.430 ( 6.064 0.000 -8.024) 10.058 10.470 ( 0.264 0.000 -1.488) 1.512 11.047 ( 3.040 0.000 -1.527) 3.402 11.646 ( 5.016 0.000 -3.397) 6.059 11.781 ( -1.132 0.000 2.454) 2.703 11.972 ( 3.902 0.000 -0.076) 3.902 12.271 ( 0.521 0.000 -10.330) 10.344 12.512 ( 6.860 0.000 3.644) 7.767 12.783 ( -10.642 0.000 11.450) 15.632 13.268 ( 2.569 0.000 5.681) 6.235 13.382 ( 2.338 0.000 25.211) 25.319 14.536 ( -16.868 0.000 3.152) 17.160 15.008 ( 7.313 0.000 -1.027) 7.384 15.444 ( 0.117 0.000 -0.979) 0.986 15.491 ( -8.380 0.000 -17.172) 19.108 16.250 ( -1.250 0.000 -1.859) 2.240 16.309 ( -2.334 0.000 -12.327) 12.546 16.470 ( 3.037 0.000 -9.274) 9.759 16.887 ( -0.953 0.000 -7.896) 7.954 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 11.757 0.000 -2.636) 12.048 3.668 ( 0.218 0.000 10.341) 10.343 3.764 ( -1.062 0.000 6.275) 6.364 4.675 ( 7.216 0.000 15.812) 17.381 4.703 ( -3.113 0.000 8.289) 8.854 5.201 ( 9.137 0.000 2.847) 9.571 5.285 ( -1.468 0.000 0.926) 1.736 5.487 ( -7.923 0.000 3.396) 8.620 6.045 ( 8.621 0.000 -0.441) 8.633 6.250 ( -2.961 0.000 3.234) 4.385 7.258 ( -23.044 0.000 15.599) 27.827 7.556 ( 18.575 0.000 12.172) 22.208 7.651 ( -7.083 0.000 3.190) 7.768 7.956 ( 13.881 0.000 -4.422) 14.568 7.999 ( 7.686 0.000 8.974) 11.815 8.220 ( -6.457 0.000 -2.815) 7.044 8.303 ( 2.010 0.000 -5.334) 5.700 8.485 ( -5.995 0.000 9.400) 11.149 8.532 ( 0.626 0.000 5.798) 5.831 8.731 ( -1.173 0.000 -3.046) 3.264 9.309 ( 5.610 0.000 -2.708) 6.229 9.504 ( 13.119 0.000 3.576) 13.598 9.661 ( -4.458 0.000 22.063) 22.509 10.477 ( 0.244 0.000 -1.073) 1.101 10.584 ( 9.324 0.000 -7.402) 11.904 11.112 ( 3.145 0.000 -3.419) 4.646 11.771 ( 7.193 0.000 -2.374) 7.575 11.777 ( 1.064 0.000 5.064) 5.175 11.975 ( -3.302 0.000 -1.979) 3.850 12.349 ( 6.720 0.000 -5.089) 8.429 12.536 ( -14.011 0.000 10.740) 17.654 12.736 ( 16.441 0.000 -0.942) 16.468 13.345 ( 5.574 0.000 6.471) 8.541 13.396 ( -1.402 0.000 23.712) 23.754 14.172 ( -20.079 0.000 2.150) 20.194 15.080 ( -3.815 0.000 -21.085) 21.428 15.294 ( -7.351 0.000 4.248) 8.490 15.445 ( -0.046 0.000 -1.302) 1.302 16.217 ( -1.999 0.000 -3.033) 3.633 16.269 ( -1.982 0.000 -13.726) 13.869 16.529 ( 3.096 0.000 -6.890) 7.554 16.859 ( -1.964 0.000 -7.213) 7.476 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( -0.096 0.000 8.282) 8.282 3.710 ( -1.650 0.000 5.126) 5.385 3.946 ( 16.163 0.000 -3.415) 16.519 4.630 ( -4.695 0.000 2.888) 5.512 4.827 ( 7.581 0.000 13.435) 15.427 5.299 ( -10.690 0.000 7.812) 13.240 5.323 ( 6.956 0.000 4.905) 8.511 5.404 ( 11.253 0.000 0.711) 11.276 6.102 ( -6.023 0.000 1.261) 6.153 6.356 ( 16.349 0.000 1.508) 16.418 6.739 ( -29.084 0.000 13.103) 31.899 7.444 ( -14.274 0.000 3.009) 14.588 7.851 ( 11.784 0.000 9.592) 15.194 8.078 ( -0.456 0.000 7.525) 7.539 8.244 ( 8.778 0.000 4.557) 9.890 8.252 ( 13.882 0.000 -0.355) 13.886 8.343 ( 1.366 0.000 0.941) 1.659 8.379 ( -3.949 0.000 9.938) 10.694 8.588 ( 5.240 0.000 4.694) 7.035 8.718 ( 0.172 0.000 -4.543) 4.547 9.348 ( -1.374 0.000 0.548) 1.479 9.435 ( -9.852 0.000 17.729) 20.282 9.873 ( 16.078 0.000 1.493) 16.147 10.462 ( -2.337 0.000 -0.561) 2.403 10.778 ( 10.380 0.000 -7.691) 12.919 11.148 ( 0.183 0.000 -5.303) 5.307 11.826 ( 3.722 0.000 4.462) 5.810 11.896 ( 4.922 0.000 -0.901) 5.003 11.900 ( -3.115 0.000 -0.726) 3.199 12.263 ( -13.644 0.000 8.814) 16.244 12.510 ( 10.243 0.000 0.118) 10.244 13.096 ( 17.985 0.000 -2.464) 18.153 13.312 ( -7.787 0.000 19.545) 21.039 13.507 ( 12.420 0.000 4.717) 13.285 13.791 ( -17.884 0.000 2.480) 18.055 14.786 ( -21.446 0.000 -21.215) 30.167 15.305 ( 3.865 0.000 6.546) 7.602 15.440 ( -0.552 0.000 -1.589) 1.683 16.179 ( -1.719 0.000 -4.924) 5.216 16.225 ( -2.550 0.000 -13.346) 13.587 16.594 ( 3.638 0.000 -5.290) 6.420 16.811 ( -2.972 0.000 -6.334) 6.996 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 0.245 0.000 7.077) 7.082 3.682 ( -1.113 0.000 6.363) 6.460 4.260 ( 15.107 0.000 -6.101) 16.292 4.500 ( -9.305 0.000 -4.020) 10.136 4.953 ( 6.052 0.000 13.493) 14.788 5.097 ( -9.275 0.000 12.739) 15.758 5.568 ( 15.560 0.000 5.473) 16.494 5.618 ( 9.267 0.000 -0.309) 9.272 5.965 ( -5.050 0.000 4.205) 6.572 6.186 ( -25.788 0.000 11.400) 28.196 6.724 ( 20.345 0.000 0.500) 20.351 7.114 ( -19.160 0.000 1.400) 19.211 8.018 ( 5.346 0.000 11.313) 12.513 8.069 ( -0.727 0.000 10.374) 10.400 8.324 ( -0.526 0.000 7.317) 7.336 8.335 ( -0.664 0.000 2.352) 2.444 8.404 ( 4.426 0.000 4.770) 6.507 8.421 ( 2.785 0.000 -2.903) 4.023 8.733 ( 6.710 0.000 10.442) 12.412 8.752 ( 2.889 0.000 3.944) 4.889 9.267 ( -5.406 0.000 8.814) 10.339 9.277 ( -4.595 0.000 2.252) 5.118 10.161 ( 13.098 0.000 0.346) 13.102 10.367 ( -7.784 0.000 -0.142) 7.785 10.970 ( 8.963 0.000 -7.729) 11.835 11.107 ( -4.696 0.000 -6.845) 8.301 11.891 ( 3.030 0.000 2.143) 3.711 11.906 ( 3.798 0.000 3.070) 4.884 11.943 ( -0.176 0.000 0.837) 0.855 12.028 ( -9.961 0.000 6.057) 11.658 12.759 ( 15.298 0.000 3.747) 15.750 13.075 ( -15.944 0.000 9.825) 18.728 13.356 ( 9.356 0.000 4.938) 10.579 13.524 ( -9.771 0.000 6.745) 11.873 13.862 ( 22.984 0.000 -5.077) 23.538 14.333 ( -24.516 0.000 -13.101) 27.797 15.376 ( 3.113 0.000 1.529) 3.468 15.421 ( -1.562 0.000 -0.979) 1.843 16.159 ( -0.105 0.000 -7.680) 7.681 16.178 ( -1.941 0.000 -10.949) 11.120 16.669 ( 4.008 0.000 -4.981) 6.394 16.745 ( -3.751 0.000 -5.490) 6.649 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( 0.000 5.539 6.334) 8.414 3.645 ( 0.000 -0.994 14.262) 14.296 3.858 ( 0.000 5.435 2.041) 5.806 4.579 ( 0.000 5.300 18.664) 19.402 4.631 ( 0.000 -12.683 8.901) 15.494 5.089 ( 0.000 7.966 2.055) 8.227 5.257 ( 0.000 -7.626 5.639) 9.484 5.622 ( 0.000 -1.545 -1.727) 2.318 6.027 ( 0.000 -1.506 1.718) 2.285 6.211 ( 0.000 -3.879 -8.025) 8.913 7.126 ( 0.000 11.526 23.107) 25.822 7.663 ( 0.000 -0.469 -5.068) 5.090 7.682 ( 0.000 1.429 7.199) 7.340 7.759 ( 0.000 0.441 3.295) 3.324 7.917 ( 0.000 1.023 -3.378) 3.530 8.186 ( 0.000 -1.853 3.020) 3.543 8.496 ( 0.000 -0.036 8.677) 8.677 8.607 ( 0.000 -4.734 4.885) 6.803 8.771 ( 0.000 -2.770 0.961) 2.932 8.798 ( 0.000 -2.458 -3.087) 3.946 9.013 ( 0.000 8.948 2.999) 9.437 9.068 ( 0.000 9.234 -6.755) 11.442 9.738 ( 0.000 -8.916 26.711) 28.160 10.022 ( 0.000 -18.600 -6.377) 19.662 10.806 ( 0.000 17.937 -4.438) 18.478 11.176 ( 0.000 13.484 0.644) 13.499 11.603 ( 0.000 1.117 -3.180) 3.371 11.784 ( 0.000 -1.572 -3.050) 3.431 11.920 ( 0.000 -0.074 4.517) 4.518 12.170 ( 0.000 -6.468 -7.200) 9.678 12.394 ( 0.000 -4.816 5.479) 7.295 12.871 ( 0.000 -23.214 11.480) 25.897 13.074 ( 0.000 13.737 8.065) 15.929 13.547 ( 0.000 6.787 17.842) 19.090 14.793 ( 0.000 0.678 0.827) 1.069 14.887 ( 0.000 2.867 1.939) 3.461 15.406 ( 0.000 -3.436 0.653) 3.498 15.434 ( 0.000 -11.430 -11.971) 16.551 16.115 ( 0.000 -2.791 -9.676) 10.070 16.363 ( 0.000 -5.334 -11.113) 12.327 16.627 ( 0.000 14.470 -8.342) 16.703 16.933 ( 0.000 2.526 -8.941) 9.290 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 5.890 4.842 5.248) 9.257 3.651 ( 0.570 -0.828 13.033) 13.071 3.840 ( -1.846 5.098 2.071) 5.803 4.601 ( -0.168 -6.010 12.489) 13.861 4.626 ( 2.155 -1.167 13.673) 13.891 5.103 ( 1.849 2.899 3.960) 5.245 5.275 ( 0.993 -3.856 3.791) 5.498 5.568 ( -5.156 -3.113 -0.825) 6.079 6.000 ( 1.665 2.595 0.626) 3.146 6.298 ( 4.377 -0.101 -4.931) 6.594 7.233 ( 9.973 5.355 20.095) 23.064 7.598 ( -10.244 1.103 15.066) 18.252 7.734 ( 5.146 -0.688 -4.559) 6.909 7.755 ( 2.010 0.581 -0.555) 2.164 7.917 ( 1.463 1.731 0.232) 2.278 8.211 ( 2.268 -2.758 -0.761) 3.651 8.401 ( -12.698 -2.193 -1.764) 13.006 8.496 ( 0.009 -0.741 7.956) 7.990 8.752 ( -0.342 -0.226 -0.318) 0.518 8.792 ( -8.766 10.503 9.195) 16.484 9.038 ( 11.208 -5.825 -6.612) 14.257 9.308 ( 14.478 8.125 -0.800) 16.621 9.670 ( -5.771 -10.070 23.014) 25.775 10.103 ( 7.096 -15.934 -3.310) 17.754 10.799 ( -0.417 16.359 -4.129) 16.877 11.204 ( 2.428 12.824 -1.074) 13.096 11.660 ( 5.565 1.620 -2.799) 6.437 11.792 ( 0.781 0.653 1.238) 1.602 11.938 ( 0.451 -3.559 1.244) 3.797 12.175 ( 2.264 -4.808 -5.400) 7.576 12.444 ( 4.847 -5.611 4.731) 8.796 12.825 ( -4.851 -11.493 8.992) 15.378 13.082 ( 1.527 4.063 8.945) 9.943 13.544 ( -0.608 5.381 17.751) 18.559 14.565 ( -16.051 2.840 2.110) 16.436 15.003 ( 3.743 -2.309 -6.156) 7.565 15.325 ( -5.552 -7.983 -0.904) 9.765 15.458 ( 0.825 -3.037 -4.478) 5.473 16.126 ( 1.037 -2.138 -10.002) 10.281 16.375 ( 1.063 -4.546 -10.388) 11.389 16.602 ( -2.244 13.151 -7.986) 15.549 16.919 ( -1.431 2.123 -8.622) 8.994 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 0.519 -0.338 9.806) 9.826 3.690 ( 10.817 1.826 3.681) 11.571 3.795 ( -2.283 5.235 1.768) 5.979 4.569 ( -1.999 -11.328 6.278) 13.105 4.728 ( 7.079 4.765 16.246) 18.350 5.168 ( 4.478 -3.639 5.538) 7.998 5.287 ( 1.367 0.465 2.689) 3.052 5.451 ( -6.543 -3.020 2.166) 7.525 6.133 ( 11.188 7.379 -1.265) 13.462 6.314 ( -2.669 5.061 -0.754) 5.771 7.264 ( -22.931 0.324 14.721) 27.252 7.407 ( 4.300 -8.246 11.758) 14.992 7.781 ( 5.006 6.897 3.834) 9.345 7.952 ( 13.739 -0.465 -1.621) 13.842 8.001 ( 6.775 0.405 8.146) 10.603 8.191 ( -6.164 -3.453 -2.513) 7.499 8.282 ( 2.599 0.699 -0.531) 2.743 8.500 ( 0.632 -2.550 4.493) 5.205 8.619 ( -7.394 9.724 8.815) 15.064 8.770 ( 0.685 4.401 -3.396) 5.601 9.209 ( 5.526 -8.036 -0.449) 9.763 9.503 ( -4.499 -7.059 13.433) 15.828 9.638 ( 12.660 4.191 5.433) 14.401 10.258 ( 8.068 -11.919 -1.445) 14.465 10.802 ( 0.979 12.200 -4.133) 12.918 11.240 ( 0.345 9.098 -4.848) 10.315 11.799 ( 7.691 2.812 -2.157) 8.468 11.822 ( 3.092 3.990 5.151) 7.212 11.909 ( -2.311 -3.641 1.243) 4.488 12.277 ( 6.893 -3.861 -2.680) 8.343 12.530 ( -1.045 -5.287 8.601) 10.150 12.755 ( 3.454 -0.834 -1.382) 3.812 13.145 ( 4.712 -6.521 10.664) 13.359 13.513 ( -2.460 2.645 16.568) 16.958 14.221 ( -18.820 4.609 1.278) 19.419 14.927 ( -11.868 -14.279 -19.355) 26.820 15.281 ( 1.778 1.881 9.197) 9.554 15.465 ( -0.066 -0.050 -2.604) 2.606 16.148 ( 1.120 -0.479 -10.358) 10.430 16.390 ( -0.180 -0.021 -8.961) 8.963 16.559 ( -1.449 7.387 -7.170) 10.397 16.877 ( -2.874 0.976 -7.751) 8.324 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( 0.077 -0.012 7.394) 7.394 3.732 ( -2.539 1.128 4.229) 5.060 3.957 ( 14.534 2.041 -1.408) 14.744 4.525 ( -2.910 -9.275 2.532) 10.045 4.875 ( 7.100 4.331 14.016) 16.298 5.219 ( -2.170 -4.760 10.606) 11.826 5.359 ( 2.135 0.917 2.738) 3.591 5.397 ( 9.526 -0.610 2.211) 9.798 6.181 ( -8.728 6.542 0.043) 10.908 6.411 ( 12.675 3.911 -0.725) 13.284 6.772 ( -24.502 3.797 12.451) 27.746 7.360 ( -8.188 -7.245 5.224) 12.117 7.904 ( 5.871 4.037 7.639) 10.446 8.078 ( -0.814 -0.218 7.243) 7.292 8.202 ( 7.953 -3.073 5.303) 10.041 8.226 ( 12.195 -1.621 4.156) 12.985 8.354 ( 4.842 2.125 2.405) 5.809 8.483 ( -4.641 4.278 8.555) 10.632 8.563 ( 4.731 1.336 0.736) 4.971 8.780 ( 0.356 5.346 -3.129) 6.205 9.243 ( -1.955 -9.132 5.785) 10.985 9.356 ( -8.092 -7.395 9.871) 14.751 9.935 ( 15.367 5.487 1.339) 16.372 10.381 ( 3.594 -6.276 0.183) 7.234 10.848 ( 3.937 5.681 -5.186) 8.641 11.200 ( -4.363 2.070 -7.123) 8.606 11.875 ( 1.719 2.275 3.521) 4.531 11.903 ( 3.778 4.766 2.506) 6.578 11.955 ( 6.311 6.649 0.775) 9.200 12.347 ( -8.063 4.601 7.304) 11.812 12.458 ( 6.521 -4.294 0.300) 7.813 12.950 ( 9.930 -11.061 -3.611) 15.296 13.230 ( 2.448 -7.517 14.280) 16.322 13.492 ( 2.571 -2.516 9.974) 10.603 13.875 ( -14.754 7.597 -0.231) 16.596 14.615 ( -18.859 -13.899 -16.989) 28.939 15.340 ( 3.354 2.966 5.812) 7.337 15.457 ( -0.780 0.687 -2.071) 2.317 16.169 ( 1.220 2.001 -9.995) 10.266 16.351 ( -3.596 6.680 -8.470) 11.371 16.570 ( 2.515 -0.750 -5.996) 6.546 16.810 ( -3.980 -0.563 -6.661) 7.780 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 0.526 0.270 5.703) 5.734 3.691 ( -1.631 0.701 4.749) 5.070 4.233 ( 12.962 -2.034 -3.492) 13.578 4.432 ( -7.287 -5.968 -2.266) 9.688 4.986 ( 4.981 2.851 14.061) 15.187 5.099 ( -6.967 0.128 13.883) 15.534 5.569 ( 14.594 0.192 2.806) 14.863 5.614 ( 10.700 -0.432 0.385) 10.716 5.994 ( -7.519 2.610 3.954) 8.887 6.181 ( -23.818 -0.916 9.563) 25.682 6.807 ( 16.815 7.415 1.022) 18.406 7.126 ( -15.070 0.856 2.117) 15.242 7.996 ( 3.893 -2.088 10.350) 11.253 8.054 ( -1.927 -1.895 9.748) 10.116 8.317 ( 3.988 0.416 4.285) 5.868 8.384 ( -0.665 3.374 6.780) 7.602 8.415 ( 2.612 1.064 7.477) 7.991 8.440 ( 2.170 2.022 1.253) 3.220 8.712 ( 7.761 -0.570 3.759) 8.642 8.787 ( -0.185 2.715 3.702) 4.595 9.171 ( -2.632 -8.121 6.743) 10.879 9.218 ( -6.058 -5.947 2.586) 8.875 10.203 ( 11.768 3.622 1.270) 12.379 10.370 ( -4.897 0.019 1.268) 5.059 10.954 ( 6.642 -0.762 -6.332) 9.208 11.087 ( -6.741 -2.245 -7.066) 10.020 11.931 ( 4.314 4.239 4.175) 7.349 11.982 ( 1.611 5.031 2.408) 5.806 12.035 ( 3.340 10.431 1.847) 11.108 12.154 ( -8.941 10.427 3.948) 14.291 12.676 ( 13.871 -7.102 2.220) 15.741 12.939 ( -10.777 -10.673 2.982) 15.458 13.310 ( 7.567 -5.875 10.781) 14.422 13.476 ( -8.208 -7.040 8.479) 13.741 13.860 ( 14.884 2.061 -7.042) 16.595 14.227 ( -20.495 -8.276 -12.349) 25.319 15.397 ( 2.429 1.669 1.670) 3.387 15.435 ( -1.494 0.884 -1.035) 2.021 16.205 ( 2.630 4.868 -9.146) 10.689 16.272 ( -4.100 7.051 -8.604) 11.856 16.640 ( 4.264 -2.545 -5.462) 7.382 16.726 ( -4.518 -1.935 -5.785) 7.591 ======================= Grid point 288 (101/120) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 0.000 3.487 13.992) 14.420 3.616 ( 0.000 -1.805 15.346) 15.452 4.046 ( 0.000 12.262 0.092) 12.262 4.334 ( 0.000 -14.877 4.261) 15.475 4.757 ( 0.000 11.691 16.947) 20.589 5.029 ( 0.000 -13.338 12.112) 18.016 5.300 ( 0.000 11.533 -1.870) 11.684 5.522 ( 0.000 -8.627 -3.590) 9.344 6.027 ( 0.000 2.335 -0.282) 2.352 6.112 ( 0.000 -5.100 -4.155) 6.578 7.405 ( 0.000 13.241 12.898) 18.484 7.604 ( 0.000 -5.624 -4.046) 6.928 7.728 ( 0.000 2.115 12.810) 12.983 7.758 ( 0.000 -0.699 8.402) 8.431 7.969 ( 0.000 4.472 -1.673) 4.775 8.098 ( 0.000 -6.629 4.905) 8.246 8.498 ( 0.000 0.338 6.211) 6.221 8.521 ( 0.000 -2.492 2.973) 3.879 8.735 ( 0.000 -0.604 -2.268) 2.347 8.750 ( 0.000 -1.884 -6.704) 6.964 9.240 ( 0.000 12.153 12.716) 17.589 9.306 ( 0.000 12.868 -6.471) 14.404 9.517 ( 0.000 -11.107 19.341) 22.303 9.650 ( 0.000 -16.979 -6.370) 18.134 11.154 ( 0.000 15.055 -4.141) 15.614 11.363 ( 0.000 -1.784 -2.394) 2.985 11.692 ( 0.000 6.085 -3.251) 6.898 11.746 ( 0.000 -1.769 -3.290) 3.736 11.926 ( 0.000 8.164 7.278) 10.937 12.158 ( 0.000 4.586 0.107) 4.587 12.257 ( 0.000 -9.588 6.889) 11.806 12.367 ( 0.000 -22.487 6.835) 23.503 13.372 ( 0.000 13.402 8.959) 16.121 13.570 ( 0.000 -4.671 13.855) 14.621 14.829 ( 0.000 3.099 -2.787) 4.168 14.907 ( 0.000 -2.568 -5.529) 6.096 15.258 ( 0.000 -2.193 3.326) 3.984 15.313 ( 0.000 -4.954 4.194) 6.491 16.137 ( 0.000 3.780 -12.677) 13.229 16.241 ( 0.000 -5.868 -12.017) 13.373 16.864 ( 0.000 8.023 -9.707) 12.593 16.956 ( 0.000 -1.104 -9.846) 9.907 ======================= Grid point 289 (102/120) ======================= q-point: ( 0.11 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( 3.483 2.274 12.543) 13.215 3.631 ( 1.407 -1.120 13.719) 13.836 4.026 ( -1.804 12.437 -0.270) 12.570 4.317 ( -1.547 -14.872 3.571) 15.373 4.782 ( 2.714 10.471 17.009) 20.157 5.016 ( -0.420 -10.588 12.431) 16.334 5.311 ( 0.596 6.893 -0.595) 6.944 5.463 ( -4.724 -6.815 -2.026) 8.536 6.096 ( 7.791 6.405 -1.778) 10.241 6.234 ( 9.435 -5.826 -5.264) 12.275 7.404 ( -2.265 9.778 15.565) 18.521 7.570 ( -9.386 -4.976 10.013) 14.599 7.732 ( 5.490 1.007 3.786) 6.745 7.756 ( 2.437 -0.701 5.137) 5.729 7.982 ( 1.612 4.622 -2.187) 5.362 8.104 ( 0.663 -6.618 -1.172) 6.753 8.410 ( -6.731 2.393 3.469) 7.941 8.465 ( -2.567 -2.324 7.009) 7.818 8.778 ( 3.607 3.180 -1.877) 5.162 8.879 ( 7.995 -5.667 0.093) 9.801 9.084 ( -7.785 13.758 3.784) 16.254 9.382 ( -5.553 -12.534 10.620) 17.341 9.538 ( 11.565 9.500 2.396) 15.158 9.795 ( 10.803 -13.857 -0.320) 17.573 11.125 ( -2.813 14.726 -3.876) 15.485 11.352 ( -1.689 -3.965 -3.837) 5.770 11.744 ( 5.277 4.125 -2.640) 7.199 11.786 ( 3.939 -1.290 -1.214) 4.319 11.946 ( 2.221 11.893 7.458) 14.213 12.171 ( 2.257 3.301 1.585) 4.301 12.307 ( 3.491 -6.992 3.126) 8.417 12.390 ( 3.045 -23.409 7.086) 24.647 13.335 ( -3.525 13.484 8.454) 16.300 13.544 ( -2.722 -5.540 13.465) 14.812 14.659 ( -13.538 6.540 -1.665) 15.127 14.844 ( -8.778 -10.740 -8.544) 16.291 15.280 ( 3.328 3.073 6.208) 7.685 15.373 ( 3.811 -4.866 1.888) 6.463 16.153 ( 1.573 3.832 -12.276) 12.956 16.258 ( 1.662 -5.870 -11.377) 12.910 16.833 ( -3.115 8.193 -9.296) 12.777 16.933 ( -2.412 -1.598 -9.461) 9.893 ======================= Grid point 290 (103/120) ======================= q-point: ( 0.22 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 1.471 0.537 9.525) 9.653 3.683 ( 4.181 -1.289 8.361) 9.437 4.000 ( 0.188 12.908 0.409) 12.916 4.290 ( -0.731 -14.493 3.076) 14.834 4.867 ( 5.961 8.274 16.116) 19.071 5.043 ( 3.405 -7.971 12.538) 15.242 5.317 ( 0.509 2.404 1.244) 2.754 5.380 ( -3.324 -3.500 0.788) 4.890 6.298 ( 11.533 7.351 -4.022) 14.256 6.385 ( 4.055 -0.004 -5.625) 6.935 7.261 ( -19.579 -0.414 13.476) 23.772 7.282 ( -8.522 -3.204 13.739) 16.482 7.892 ( 10.402 3.495 3.572) 11.540 7.935 ( 13.073 -1.204 3.184) 13.509 8.028 ( 2.836 2.531 4.516) 5.902 8.104 ( -1.454 -4.340 0.017) 4.577 8.337 ( -0.025 3.970 2.331) 4.604 8.426 ( -0.768 -4.266 3.896) 5.829 8.813 ( -1.450 8.675 6.132) 10.722 8.945 ( -1.148 9.110 6.610) 11.314 9.026 ( 1.727 -5.952 -2.774) 6.790 9.258 ( -6.076 -14.173 7.967) 17.357 9.803 ( 14.498 9.863 1.029) 17.565 10.022 ( 12.018 -11.049 0.467) 16.331 11.058 ( -3.753 12.406 -3.781) 13.501 11.280 ( -5.697 -6.917 -5.664) 10.601 11.871 ( 6.937 2.698 -0.396) 7.453 11.891 ( 5.921 1.548 3.866) 7.239 12.025 ( 6.805 15.964 5.236) 18.126 12.247 ( 4.877 1.576 1.067) 5.235 12.357 ( 1.947 -9.259 4.389) 10.430 12.500 ( 7.774 -18.585 1.673) 20.214 13.254 ( -4.289 11.771 7.525) 14.614 13.468 ( -4.931 -7.059 12.413) 15.107 14.361 ( -16.309 9.082 -2.275) 18.805 14.606 ( -14.539 -14.565 -9.735) 22.766 15.353 ( 3.470 4.130 5.453) 7.671 15.430 ( 1.954 -3.001 0.810) 3.671 16.195 ( 2.608 4.305 -11.236) 12.312 16.303 ( 2.905 -5.669 -9.706) 11.609 16.751 ( -5.065 8.230 -8.377) 12.789 16.865 ( -4.422 -2.732 -8.456) 9.925 ======================= Grid point 291 (104/120) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 0.381 1.480 5.178) 5.399 3.721 ( -0.342 -1.991 3.182) 3.769 4.071 ( 6.879 8.886 2.257) 11.462 4.295 ( 0.860 -11.867 2.735) 12.208 4.988 ( 5.245 6.170 14.463) 16.576 5.113 ( 1.765 -5.593 13.367) 14.597 5.369 ( 5.086 0.386 1.755) 5.395 5.382 ( 6.874 -0.789 2.633) 7.403 6.327 ( -10.185 6.851 -1.579) 12.376 6.434 ( -3.423 -2.559 -2.294) 4.851 6.929 ( -8.313 10.934 9.525) 16.715 7.168 ( -2.911 -11.007 7.250) 13.498 7.986 ( -1.589 3.673 6.457) 7.596 8.053 ( -2.948 -2.494 6.087) 7.208 8.169 ( 11.346 0.352 10.676) 15.583 8.194 ( 12.468 -1.534 8.371) 15.096 8.399 ( 5.146 2.206 -1.043) 5.695 8.452 ( 3.083 -2.978 0.002) 4.286 8.747 ( -3.195 12.034 8.463) 15.055 8.933 ( -0.816 8.943 0.437) 8.991 9.011 ( -3.387 -11.992 7.011) 14.298 9.158 ( -4.578 -10.970 1.161) 11.944 10.077 ( 13.171 7.696 1.623) 15.341 10.237 ( 9.395 -7.497 1.571) 12.122 10.991 ( -2.855 7.860 -4.431) 9.464 11.149 ( -7.210 -6.385 -6.158) 11.431 11.976 ( 3.705 5.772 6.522) 9.465 12.005 ( 6.029 3.530 3.498) 7.813 12.207 ( 9.913 14.560 1.923) 17.719 12.337 ( 4.911 -2.813 1.575) 5.875 12.388 ( 1.219 -1.248 2.038) 2.683 12.657 ( 7.023 -17.809 -2.098) 19.259 13.179 ( -3.336 5.516 8.824) 10.928 13.366 ( -5.260 -9.335 10.582) 15.059 14.069 ( -12.258 10.584 -4.062) 16.696 14.316 ( -14.555 -13.537 -10.108) 22.299 15.405 ( 1.838 2.868 3.336) 4.768 15.450 ( 0.164 -1.357 -0.058) 1.368 16.254 ( 3.512 5.463 -9.691) 11.666 16.365 ( 3.135 -4.338 -7.956) 9.589 16.650 ( -4.933 6.851 -7.471) 11.273 16.767 ( -5.488 -3.888 -7.283) 9.913 ======================= Grid point 292 (105/120) ======================= q-point: ( 0.44 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 0.367 1.013 2.655) 2.866 3.700 ( -1.200 -0.136 1.859) 2.217 4.214 ( 6.500 1.155 1.291) 6.727 4.295 ( -1.665 -6.190 1.292) 6.539 5.051 ( 1.967 2.930 14.817) 15.231 5.093 ( -2.431 -1.029 14.898) 15.130 5.579 ( 13.711 0.790 0.376) 13.739 5.599 ( 12.708 -0.962 0.244) 12.747 6.063 ( -13.147 3.821 4.256) 14.338 6.138 ( -19.104 -3.104 6.223) 20.330 6.989 ( 8.136 8.762 2.011) 12.125 7.116 ( -4.127 -2.902 2.635) 5.692 7.955 ( -0.147 -0.721 9.353) 9.382 7.990 ( -3.164 -3.472 9.249) 10.374 8.356 ( 7.499 2.808 8.239) 11.489 8.403 ( 8.087 -1.112 9.487) 12.516 8.460 ( -1.402 2.253 4.461) 5.191 8.485 ( -0.217 0.719 9.976) 10.004 8.760 ( 4.820 6.399 -2.926) 8.529 8.874 ( -5.712 4.678 -3.889) 8.345 8.972 ( 1.609 -8.900 8.048) 12.107 9.058 ( -5.737 -8.643 2.353) 10.637 10.288 ( 7.846 3.999 2.784) 9.236 10.352 ( 1.648 -1.984 2.999) 3.956 10.963 ( 0.510 1.806 -5.639) 5.943 11.022 ( -5.315 -3.510 -6.240) 8.917 12.043 ( 3.104 5.274 7.359) 9.571 12.077 ( 0.573 2.771 6.610) 7.191 12.321 ( 3.665 12.911 0.659) 13.437 12.383 ( -1.876 10.432 -0.022) 10.600 12.521 ( 12.020 -5.350 -1.772) 13.275 12.701 ( -4.163 -12.347 -3.801) 13.573 13.153 ( 2.145 -4.570 12.148) 13.156 13.254 ( -6.534 -11.605 10.183) 16.765 13.950 ( 0.722 5.405 -7.053) 8.915 14.069 ( -10.286 -6.420 -9.302) 15.283 15.429 ( 0.864 1.203 0.985) 1.779 15.443 ( -0.636 -0.142 -0.264) 0.703 16.330 ( 4.190 6.145 -8.154) 11.037 16.394 ( -1.242 2.146 -7.389) 7.794 16.596 ( 0.585 0.144 -6.695) 6.722 16.662 ( -5.057 -4.160 -6.532) 9.248 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 0.000 0.000 -0.907) 0.907 3.855 ( 0.000 0.000 5.346) 5.346 3.881 ( 0.000 0.000 1.880) 1.880 4.844 ( 0.000 0.000 9.955) 9.955 4.878 ( 0.000 0.000 0.272) 0.272 5.062 ( 0.000 0.000 1.449) 1.449 5.316 ( 0.000 0.000 -0.547) 0.547 5.744 ( 0.000 0.000 5.708) 5.708 6.084 ( 0.000 0.000 0.923) 0.923 6.088 ( 0.000 0.000 -5.338) 5.338 7.357 ( 0.000 0.000 9.070) 9.070 7.477 ( 0.000 0.000 -5.282) 5.282 7.690 ( 0.000 0.000 -3.622) 3.622 7.904 ( 0.000 0.000 0.453) 0.453 7.915 ( 0.000 0.000 10.727) 10.727 8.125 ( 0.000 0.000 -6.594) 6.594 8.608 ( 0.000 0.000 -7.519) 7.519 8.643 ( 0.000 0.000 4.209) 4.209 8.781 ( 0.000 0.000 3.827) 3.827 8.851 ( 0.000 0.000 0.604) 0.604 8.855 ( 0.000 0.000 -2.542) 2.542 9.087 ( 0.000 0.000 5.944) 5.944 10.226 ( 0.000 0.000 -3.943) 3.943 10.279 ( 0.000 0.000 11.301) 11.301 10.451 ( 0.000 0.000 -0.236) 0.236 10.994 ( 0.000 0.000 -0.727) 0.727 11.538 ( 0.000 0.000 -1.577) 1.577 11.744 ( 0.000 0.000 -1.746) 1.746 12.000 ( 0.000 0.000 3.975) 3.975 12.095 ( 0.000 0.000 -6.200) 6.200 12.534 ( 0.000 0.000 2.354) 2.354 13.050 ( 0.000 0.000 3.670) 3.670 13.326 ( 0.000 0.000 2.240) 2.240 13.864 ( 0.000 0.000 20.641) 20.641 14.745 ( 0.000 0.000 -12.780) 12.780 14.809 ( 0.000 0.000 0.368) 0.368 15.312 ( 0.000 0.000 -3.400) 3.400 15.432 ( 0.000 0.000 -0.256) 0.256 16.178 ( 0.000 0.000 -4.740) 4.740 16.242 ( 0.000 0.000 -0.510) 0.510 16.267 ( 0.000 0.000 -4.196) 4.196 16.779 ( 0.000 0.000 -3.051) 3.051 ======================= Grid point 316 (107/120) ======================= q-point: ( 0.11 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 5.559 0.000 -1.051) 5.657 3.843 ( -1.249 0.000 4.766) 4.927 3.872 ( -0.887 0.000 1.986) 2.175 4.846 ( -2.955 0.000 0.430) 2.987 4.865 ( 2.103 0.000 9.239) 9.475 5.112 ( 4.650 0.000 1.203) 4.803 5.307 ( -0.974 0.000 -0.553) 1.120 5.708 ( -3.651 0.000 5.359) 6.485 5.952 ( -2.642 0.000 -2.064) 3.353 6.240 ( 5.205 0.000 -1.119) 5.324 7.453 ( 9.311 0.000 4.353) 10.279 7.607 ( 13.002 0.000 -1.040) 13.043 7.700 ( 0.300 0.000 -2.367) 2.386 7.870 ( -7.539 0.000 11.564) 13.804 7.959 ( 4.809 0.000 1.956) 5.191 8.123 ( 2.111 0.000 -7.620) 7.907 8.310 ( -16.323 0.000 -4.936) 17.053 8.638 ( -0.450 0.000 4.083) 4.107 8.736 ( -7.964 0.000 0.315) 7.971 8.786 ( -4.294 0.000 0.826) 4.373 9.071 ( 14.949 0.000 -0.158) 14.950 9.265 ( 13.824 0.000 3.033) 14.153 10.129 ( -7.105 0.000 4.459) 8.388 10.366 ( 6.073 0.000 2.450) 6.548 10.455 ( 0.467 0.000 -0.196) 0.506 11.016 ( 2.023 0.000 -0.971) 2.244 11.595 ( 5.578 0.000 -1.417) 5.755 11.800 ( 4.238 0.000 0.016) 4.238 11.998 ( -0.802 0.000 2.129) 2.275 12.095 ( 2.087 0.000 -5.719) 6.088 12.586 ( 5.434 0.000 2.210) 5.866 12.943 ( -10.188 0.000 3.982) 10.938 13.354 ( 2.949 0.000 2.315) 3.749 13.892 ( 1.960 0.000 21.425) 21.515 14.566 ( -16.350 0.000 -0.067) 16.350 14.741 ( -6.561 0.000 -18.000) 19.159 15.380 ( 4.843 0.000 1.501) 5.071 15.432 ( 0.008 0.000 -0.270) 0.270 16.109 ( -4.529 0.000 -6.015) 7.529 16.224 ( -1.878 0.000 -0.680) 1.997 16.339 ( 4.937 0.000 -3.336) 5.958 16.774 ( -0.533 0.000 -2.927) 2.975 ======================= Grid point 317 (108/120) ======================= q-point: ( 0.22 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 11.090 0.000 -1.236) 11.158 3.812 ( -1.777 0.000 3.584) 4.000 3.848 ( -1.448 0.000 1.944) 2.424 4.767 ( -5.356 0.000 0.258) 5.362 4.927 ( 4.301 0.000 7.333) 8.501 5.232 ( 7.646 0.000 0.567) 7.667 5.297 ( 1.127 0.000 0.211) 1.147 5.607 ( -6.579 0.000 5.046) 8.291 6.008 ( 7.287 0.000 -1.876) 7.525 6.281 ( 0.071 0.000 0.556) 0.560 7.484 ( -25.535 0.000 5.535) 26.128 7.685 ( 13.732 0.000 0.592) 13.745 7.709 ( -5.483 0.000 2.975) 6.238 7.935 ( 18.761 0.000 2.091) 18.877 8.080 ( 5.814 0.000 -2.536) 6.343 8.108 ( -3.280 0.000 -3.905) 5.100 8.260 ( 11.272 0.000 1.878) 11.427 8.596 ( -6.148 0.000 1.862) 6.424 8.639 ( 0.971 0.000 3.729) 3.853 8.691 ( -4.932 0.000 -1.390) 5.124 9.296 ( 7.753 0.000 0.295) 7.758 9.555 ( 15.026 0.000 1.691) 15.121 9.962 ( -9.840 0.000 6.161) 11.610 10.468 ( 0.699 0.000 -0.024) 0.699 10.504 ( 8.138 0.000 -0.647) 8.163 11.057 ( 1.747 0.000 -1.551) 2.336 11.735 ( 8.151 0.000 -1.005) 8.213 11.853 ( 1.507 0.000 1.993) 2.499 11.944 ( -3.890 0.000 -0.832) 3.978 12.247 ( 12.013 0.000 -3.214) 12.436 12.693 ( -14.754 0.000 4.092) 15.311 12.757 ( 12.558 0.000 1.184) 12.613 13.439 ( 5.804 0.000 2.444) 6.297 13.895 ( -2.959 0.000 23.746) 23.929 14.188 ( -20.958 0.000 -0.475) 20.964 14.564 ( -11.398 0.000 -24.100) 26.659 15.430 ( -0.188 0.000 -0.294) 0.349 15.449 ( 2.022 0.000 6.133) 6.457 16.034 ( -3.000 0.000 -7.755) 8.315 16.173 ( -3.169 0.000 -1.153) 3.372 16.433 ( 4.709 0.000 -2.392) 5.282 16.756 ( -1.295 0.000 -2.615) 2.918 ======================= Grid point 318 (109/120) ======================= q-point: ( 0.33 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( -1.266 0.000 2.704) 2.986 3.797 ( 1.032 0.000 3.554) 3.701 3.875 ( 12.185 0.000 -3.353) 12.638 4.631 ( -8.804 0.000 -0.871) 8.847 5.028 ( 5.932 0.000 5.442) 8.050 5.393 ( 9.349 0.000 1.740) 9.510 5.405 ( 9.771 0.000 -0.037) 9.771 5.463 ( -7.840 0.000 5.295) 9.461 6.089 ( -2.608 0.000 -1.019) 2.800 6.380 ( 13.720 0.000 0.687) 13.737 6.918 ( -30.947 0.000 4.309) 31.245 7.497 ( -15.869 0.000 1.938) 15.987 7.958 ( 13.747 0.000 1.090) 13.791 8.112 ( 3.931 0.000 -1.693) 4.280 8.215 ( 6.140 0.000 -2.341) 6.571 8.235 ( 9.616 0.000 0.491) 9.628 8.491 ( -4.722 0.000 2.041) 5.144 8.492 ( 6.203 0.000 9.262) 11.147 8.641 ( 5.340 0.000 -4.576) 7.033 8.728 ( 9.625 0.000 5.284) 10.980 9.363 ( -0.798 0.000 0.456) 0.920 9.652 ( -11.526 0.000 4.190) 12.264 9.924 ( 12.165 0.000 2.087) 12.343 10.464 ( -1.806 0.000 0.301) 1.831 10.678 ( 9.549 0.000 -2.118) 9.781 11.068 ( -0.942 0.000 -2.131) 2.330 11.880 ( 6.107 0.000 -0.457) 6.124 11.884 ( -0.046 0.000 0.437) 0.439 11.890 ( 1.252 0.000 0.618) 1.396 12.396 ( -15.335 0.000 3.602) 15.752 12.501 ( 14.029 0.000 -0.506) 14.038 13.071 ( 18.946 0.000 -0.347) 18.949 13.578 ( 8.480 0.000 1.879) 8.685 13.654 ( -21.976 0.000 9.275) 23.853 13.894 ( -8.697 0.000 12.294) 15.059 14.313 ( -14.119 0.000 -23.088) 27.063 15.426 ( -0.206 0.000 -0.158) 0.259 15.463 ( -0.396 0.000 6.212) 6.224 15.995 ( -0.933 0.000 -7.698) 7.754 16.106 ( -3.571 0.000 -1.946) 4.067 16.521 ( 4.332 0.000 -1.802) 4.692 16.722 ( -2.248 0.000 -2.229) 3.166 ======================= Grid point 319 (110/120) ======================= q-point: ( 0.44 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( -0.055 0.000 2.465) 2.466 3.778 ( -1.094 0.000 2.734) 2.945 4.161 ( 14.827 0.000 -2.977) 15.123 4.426 ( -12.265 0.000 -2.277) 12.475 5.154 ( 7.091 0.000 5.435) 8.934 5.302 ( -8.094 0.000 5.866) 9.996 5.601 ( 8.943 0.000 -0.764) 8.975 5.626 ( 10.303 0.000 0.890) 10.341 6.021 ( 1.404 0.000 1.418) 1.995 6.339 ( -27.017 0.000 3.646) 27.262 6.731 ( 20.538 0.000 0.210) 20.540 7.136 ( -20.463 0.000 0.717) 20.476 8.188 ( 8.267 0.000 4.367) 9.349 8.199 ( 3.986 0.000 1.866) 4.401 8.314 ( 1.768 0.000 -3.014) 3.494 8.321 ( 4.777 0.000 -0.866) 4.855 8.407 ( -4.108 0.000 0.974) 4.222 8.427 ( -7.078 0.000 0.238) 7.082 8.927 ( 16.663 0.000 7.966) 18.469 8.975 ( 12.357 0.000 8.833) 15.190 9.277 ( -6.856 0.000 -1.882) 7.110 9.358 ( -15.944 0.000 0.415) 15.950 10.183 ( 12.414 0.000 0.960) 12.451 10.377 ( -7.327 0.000 0.624) 7.354 10.861 ( 8.973 0.000 -2.680) 9.364 11.007 ( -5.553 0.000 -2.586) 6.125 11.928 ( 5.231 0.000 1.284) 5.386 11.940 ( 3.235 0.000 0.456) 3.267 11.953 ( 1.196 0.000 0.170) 1.208 12.119 ( -12.598 0.000 2.499) 12.843 12.809 ( 18.136 0.000 1.179) 18.175 13.206 ( -22.539 0.000 2.935) 22.729 13.437 ( 17.338 0.000 2.510) 17.519 13.712 ( -11.172 0.000 11.541) 16.062 13.771 ( 11.597 0.000 -2.981) 11.973 14.030 ( -14.614 0.000 -14.889) 20.863 15.427 ( 0.487 0.000 0.743) 0.889 15.445 ( -1.156 0.000 3.210) 3.412 15.999 ( 1.289 0.000 -5.534) 5.682 16.041 ( -2.957 0.000 -3.317) 4.444 16.601 ( 3.870 0.000 -1.670) 4.215 16.669 ( -3.170 0.000 -1.871) 3.681 ======================= Grid point 324 (111/120) ======================= q-point: ( 0.00 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 0.000 12.614 0.720) 12.634 3.858 ( 0.000 0.199 5.826) 5.829 3.891 ( 0.000 1.058 1.030) 1.476 4.673 ( 0.000 -16.100 -1.108) 16.138 4.911 ( 0.000 6.313 10.737) 12.455 5.109 ( 0.000 4.598 0.063) 4.599 5.377 ( 0.000 2.099 2.737) 3.449 5.654 ( 0.000 -8.029 3.884) 8.919 6.045 ( 0.000 -3.096 0.097) 3.097 6.069 ( 0.000 -1.779 -4.786) 5.106 7.412 ( 0.000 3.979 5.093) 6.463 7.480 ( 0.000 0.293 -5.092) 5.101 7.758 ( 0.000 6.890 -0.107) 6.890 7.911 ( 0.000 0.739 0.618) 0.964 7.924 ( 0.000 0.589 9.312) 9.330 8.140 ( 0.000 1.229 -5.290) 5.431 8.571 ( 0.000 -2.730 -3.996) 4.840 8.666 ( 0.000 1.588 1.766) 2.375 8.712 ( 0.000 -6.459 3.751) 7.469 8.815 ( 0.000 -2.132 2.339) 3.165 8.953 ( 0.000 8.178 -4.160) 9.175 9.192 ( 0.000 9.610 5.529) 11.087 9.923 ( 0.000 -18.447 -2.843) 18.664 10.111 ( 0.000 -13.390 9.288) 16.296 10.746 ( 0.000 17.660 -1.420) 17.717 11.177 ( 0.000 13.514 -0.156) 13.515 11.556 ( 0.000 1.791 -1.256) 2.187 11.725 ( 0.000 -1.732 -1.827) 2.518 11.978 ( 0.000 -3.192 0.968) 3.335 12.085 ( 0.000 2.280 -1.237) 2.594 12.477 ( 0.000 -5.251 2.238) 5.708 13.040 ( 0.000 -22.698 4.382) 23.117 13.192 ( 0.000 12.542 3.051) 12.908 13.924 ( 0.000 1.101 15.600) 15.639 14.751 ( 0.000 0.315 -11.543) 11.548 14.799 ( 0.000 -0.884 -0.030) 0.885 15.315 ( 0.000 0.376 -0.433) 0.573 15.419 ( 0.000 -1.213 0.443) 1.291 15.971 ( 0.000 -6.848 -4.009) 7.935 16.199 ( 0.000 -5.872 -4.374) 7.322 16.511 ( 0.000 13.119 -2.869) 13.429 16.805 ( 0.000 1.748 -3.318) 3.750 ======================= Grid point 325 (112/120) ======================= q-point: ( 0.11 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 4.521 11.707 0.418) 12.556 3.842 ( -1.566 0.015 4.936) 5.178 3.878 ( -1.309 0.635 1.393) 2.014 4.653 ( -1.753 -15.350 -0.674) 15.465 4.932 ( 2.151 6.292 10.026) 12.030 5.143 ( 3.262 3.060 0.313) 4.484 5.351 ( -2.376 1.392 1.391) 3.085 5.623 ( -2.926 -7.631 4.547) 9.353 5.975 ( 0.872 2.220 -2.133) 3.200 6.220 ( 6.964 -2.160 -2.044) 7.572 7.480 ( 6.552 2.398 2.950) 7.575 7.598 ( 10.444 -0.767 -1.787) 10.624 7.733 ( -1.939 3.165 -0.836) 3.805 7.891 ( -6.668 1.441 11.000) 12.944 7.964 ( 4.517 0.369 2.042) 4.971 8.114 ( -0.008 -1.348 -7.408) 7.530 8.331 ( -10.966 2.957 -2.723) 11.680 8.631 ( -1.162 -0.843 4.040) 4.288 8.774 ( -2.561 -0.486 1.391) 2.954 8.844 ( -7.055 9.397 -0.384) 11.757 9.008 ( 14.220 -5.474 0.203) 15.238 9.350 ( 12.507 7.612 2.454) 14.846 9.885 ( -3.961 -17.520 0.787) 17.979 10.155 ( 4.543 -12.467 5.494) 14.361 10.742 ( -0.235 16.280 -1.353) 16.337 11.182 ( 0.202 12.030 -0.718) 12.053 11.616 ( 5.937 2.114 -1.185) 6.413 11.793 ( 5.894 -1.019 -0.464) 5.999 11.960 ( -1.677 -2.539 0.499) 3.084 12.099 ( 2.323 2.132 -1.489) 3.487 12.521 ( 4.572 -5.969 2.152) 7.821 12.969 ( -7.521 -9.386 3.983) 12.670 13.210 ( 2.407 0.674 3.240) 4.092 13.923 ( -0.501 -0.706 16.167) 16.190 14.581 ( -15.354 1.366 -0.371) 15.419 14.720 ( -7.846 -2.089 -14.665) 16.763 15.377 ( 4.620 -0.021 3.078) 5.551 15.427 ( 0.634 -0.497 0.026) 0.805 15.962 ( -0.552 -4.957 -5.158) 7.175 16.229 ( 2.556 -5.364 -3.688) 6.994 16.491 ( -1.870 12.028 -2.800) 12.490 16.796 ( -0.924 1.399 -3.174) 3.589 ======================= Grid point 326 (113/120) ======================= q-point: ( 0.22 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 9.426 9.286 -0.228) 13.234 3.803 ( -2.151 -0.407 3.225) 3.898 3.843 ( -2.214 -0.423 1.849) 2.916 4.610 ( -2.780 -13.028 -0.073) 13.321 4.994 ( 4.180 6.107 8.035) 10.924 5.227 ( 5.281 0.125 0.654) 5.322 5.322 ( 0.849 0.708 0.413) 1.180 5.548 ( -4.787 -5.421 4.861) 8.713 6.086 ( 9.202 6.535 -2.200) 11.499 6.295 ( 1.040 1.065 -0.575) 1.596 7.465 ( -23.338 -1.681 4.389) 23.807 7.579 ( -3.100 -6.129 5.128) 8.572 7.771 ( 8.908 3.351 -2.082) 9.742 7.930 ( 14.365 -0.699 -0.896) 14.409 8.083 ( 7.114 0.519 -0.847) 7.183 8.185 ( 0.064 4.141 3.131) 5.192 8.254 ( 7.647 1.450 -1.249) 7.883 8.596 ( -2.483 -3.241 3.085) 5.117 8.710 ( -6.332 10.307 1.235) 12.160 8.737 ( -0.298 4.007 0.079) 4.018 9.227 ( 7.753 -6.276 1.004) 10.025 9.596 ( 9.169 0.923 1.202) 9.293 9.792 ( -2.436 -10.501 3.734) 11.408 10.277 ( 7.416 -9.816 1.956) 12.457 10.743 ( 0.449 12.676 -1.452) 12.766 11.168 ( -2.021 7.331 -1.829) 7.821 11.766 ( 8.678 2.936 -0.920) 9.208 11.896 ( 4.114 3.482 1.844) 5.696 11.926 ( -1.342 1.011 0.459) 1.742 12.216 ( 9.618 -1.876 -2.060) 10.014 12.655 ( 8.035 -8.012 3.019) 11.742 12.772 ( -10.648 1.847 1.531) 10.915 13.290 ( 5.667 -8.368 3.495) 10.693 13.885 ( -3.972 -3.655 17.562) 18.373 14.225 ( -20.032 3.421 -0.645) 20.333 14.514 ( -12.913 -4.438 -18.240) 22.785 15.435 ( 0.224 0.471 0.193) 0.556 15.448 ( 2.240 -0.003 5.090) 5.561 15.962 ( 0.726 -1.227 -6.474) 6.630 16.270 ( 0.771 -0.274 -2.818) 2.934 16.458 ( -0.672 6.276 -2.582) 6.819 16.767 ( -2.041 0.411 -2.799) 3.488 ======================= Grid point 327 (114/120) ======================= q-point: ( 0.33 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -1.587 -1.236 2.215) 2.992 3.796 ( -2.281 -0.927 1.999) 3.172 3.926 ( 12.778 5.594 -1.227) 14.003 4.533 ( -5.514 -8.553 -0.407) 10.184 5.088 ( 5.324 5.377 5.936) 9.617 5.357 ( 8.989 -1.547 1.143) 9.192 5.414 ( 5.676 -0.899 2.298) 6.189 5.448 ( -2.756 -1.502 3.321) 4.569 6.155 ( -5.057 5.579 -1.301) 7.642 6.402 ( 11.555 1.346 -0.196) 11.635 6.942 ( -26.411 2.945 4.134) 26.894 7.441 ( -11.281 -5.413 2.449) 12.750 7.990 ( 11.398 2.767 0.771) 11.755 8.115 ( 3.826 0.055 -1.173) 4.003 8.229 ( 6.313 1.714 -0.535) 6.563 8.242 ( 7.787 1.108 0.633) 7.890 8.471 ( 6.651 -2.043 6.671) 9.639 8.566 ( 2.560 -2.949 -2.150) 4.458 8.603 ( -2.392 6.936 2.685) 7.813 8.793 ( 6.733 5.504 2.860) 9.154 9.301 ( -0.207 -5.806 1.285) 5.950 9.508 ( -11.987 -12.736 3.086) 17.760 9.972 ( 14.481 4.986 1.398) 15.379 10.406 ( 4.603 -4.788 1.319) 6.772 10.769 ( 2.639 6.892 -2.064) 7.663 11.098 ( -5.085 1.105 -2.561) 5.800 11.916 ( 5.895 4.000 0.134) 7.125 11.927 ( 2.194 5.867 1.123) 6.364 11.976 ( 4.469 7.701 0.726) 8.933 12.431 ( 11.035 -5.065 0.338) 12.147 12.490 ( -12.832 5.566 2.873) 14.279 12.903 ( 11.485 -13.415 -1.076) 17.692 13.420 ( 7.263 -11.235 4.176) 14.015 13.747 ( -10.326 1.799 12.477) 16.295 13.876 ( -13.328 0.456 1.968) 13.480 14.240 ( -14.863 -5.751 -17.523) 23.686 15.434 ( -0.249 0.711 -0.241) 0.791 15.466 ( -0.277 0.188 4.534) 4.547 15.993 ( 2.510 2.702 -5.886) 6.946 16.237 ( -3.799 7.475 -2.764) 8.829 16.487 ( 3.332 -1.908 -2.078) 4.366 16.717 ( -3.159 -0.964 -2.346) 4.051 ======================= Grid point 328 (115/120) ======================= q-point: ( 0.44 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -0.144 -1.673 1.760) 2.432 3.759 ( -1.410 -1.660 1.835) 2.849 4.177 ( 12.393 1.594 -1.638) 12.602 4.390 ( -9.321 -3.242 -1.312) 9.955 5.197 ( 5.871 3.647 5.771) 9.004 5.316 ( -6.309 0.953 6.119) 8.840 5.574 ( 10.526 -1.527 -0.708) 10.659 5.622 ( 8.640 -1.041 0.023) 8.703 6.044 ( -1.064 2.208 1.186) 2.723 6.298 ( -21.987 -3.581 2.500) 22.417 6.831 ( 15.200 8.666 0.966) 17.523 7.161 ( -16.753 1.820 1.112) 16.888 8.154 ( 4.983 -2.810 3.728) 6.828 8.190 ( 2.331 -1.511 3.343) 4.347 8.321 ( 4.469 1.627 -1.801) 5.086 8.369 ( 5.759 4.254 -1.364) 7.289 8.432 ( -4.897 0.516 -0.007) 4.924 8.485 ( -5.539 7.018 -0.044) 8.941 8.856 ( 16.110 -6.328 6.633) 18.536 8.973 ( 8.656 -0.065 8.735) 12.297 9.229 ( -6.504 -4.528 -0.164) 7.927 9.246 ( -13.000 -9.435 -0.927) 16.090 10.237 ( 11.994 4.717 1.245) 12.948 10.408 ( -4.821 1.961 1.483) 5.412 10.856 ( 6.076 -0.165 -2.637) 6.626 10.983 ( -6.520 -2.296 -2.738) 7.435 12.000 ( 3.866 6.379 1.911) 7.700 12.015 ( 4.231 7.039 1.490) 8.346 12.046 ( 3.595 9.310 -0.705) 10.005 12.224 ( -12.308 8.794 2.178) 15.282 12.701 ( 15.077 -9.394 0.456) 17.770 12.964 ( -8.271 -16.267 0.222) 18.251 13.527 ( 5.235 -4.160 9.564) 11.670 13.671 ( -5.635 -7.001 9.782) 13.284 13.710 ( 5.658 2.288 -6.366) 8.819 13.951 ( -14.585 -4.620 -13.731) 20.558 15.433 ( 0.340 0.451 0.347) 0.663 15.449 ( -1.153 0.217 2.086) 2.393 16.059 ( 4.153 6.085 -4.311) 8.535 16.148 ( -4.879 8.158 -3.220) 10.036 16.565 ( 4.311 -3.211 -1.849) 5.684 16.647 ( -4.006 -2.344 -1.983) 5.047 ======================= Grid point 333 (116/120) ======================= q-point: ( 0.00 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( 0.000 8.812 9.466) 12.933 3.859 ( 0.000 -0.308 7.390) 7.396 3.965 ( 0.000 10.180 -6.292) 11.967 4.304 ( 0.000 -18.493 -3.289) 18.783 5.093 ( 0.000 10.731 12.349) 16.360 5.253 ( 0.000 9.005 -2.764) 9.419 5.312 ( 0.000 -8.533 10.809) 13.771 5.456 ( 0.000 -10.103 -2.521) 10.413 6.000 ( 0.000 -0.440 -1.741) 1.795 6.024 ( 0.000 -2.159 -3.468) 4.085 7.472 ( 0.000 1.569 -1.544) 2.201 7.485 ( 0.000 0.017 -4.248) 4.248 7.909 ( 0.000 2.325 4.970) 5.487 7.928 ( 0.000 -0.296 6.189) 6.196 7.986 ( 0.000 10.050 1.076) 10.107 8.143 ( 0.000 -2.705 -1.069) 2.908 8.517 ( 0.000 -1.671 -2.139) 2.714 8.558 ( 0.000 -6.352 1.680) 6.571 8.707 ( 0.000 2.404 2.017) 3.138 8.763 ( 0.000 -2.808 2.466) 3.737 9.189 ( 0.000 14.094 -3.889) 14.621 9.428 ( 0.000 6.710 3.175) 7.424 9.571 ( 0.000 -9.526 -0.596) 9.545 9.799 ( 0.000 -15.808 7.137) 17.344 11.095 ( 0.000 15.322 -1.509) 15.396 11.322 ( 0.000 -3.763 -1.188) 3.947 11.615 ( 0.000 3.289 -2.632) 4.212 11.677 ( 0.000 -2.769 -2.249) 3.567 12.048 ( 0.000 14.848 3.677) 15.296 12.186 ( 0.000 6.630 1.299) 6.756 12.338 ( 0.000 -7.604 1.943) 7.849 12.514 ( 0.000 -26.272 4.639) 26.678 13.508 ( 0.000 16.608 3.745) 17.025 13.816 ( 0.000 -11.391 8.193) 14.032 14.757 ( 0.000 0.499 -6.304) 6.324 14.776 ( 0.000 -1.198 -1.765) 2.133 15.338 ( 0.000 1.888 3.006) 3.550 15.383 ( 0.000 -2.172 2.156) 3.060 15.941 ( 0.000 3.198 -5.645) 6.487 16.057 ( 0.000 -7.075 -5.153) 8.753 16.727 ( 0.000 7.387 -3.513) 8.180 16.815 ( 0.000 -1.403 -3.626) 3.888 ======================= Grid point 334 (117/120) ======================= q-point: ( 0.11 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 0.697 5.780 8.398) 10.219 3.843 ( -1.535 -0.057 6.212) 6.399 3.955 ( -0.615 11.830 -5.499) 13.060 4.298 ( -0.382 -17.977 -2.332) 18.131 5.106 ( 1.399 9.721 11.866) 15.403 5.232 ( -1.072 3.632 2.297) 4.429 5.314 ( -0.386 -3.233 2.829) 4.314 5.431 ( -1.742 -9.712 -0.232) 9.870 6.046 ( 6.598 4.521 -2.403) 8.351 6.147 ( 8.889 -4.676 -2.738) 10.410 7.536 ( 5.061 2.555 -0.452) 5.687 7.577 ( 7.182 -1.390 -2.176) 7.632 7.822 ( -8.699 4.800 2.929) 10.358 7.896 ( -9.301 -1.689 8.251) 12.548 7.985 ( 4.176 2.215 0.168) 4.730 8.055 ( -0.535 -3.932 -4.163) 5.751 8.449 ( -2.275 7.586 0.978) 7.980 8.584 ( -2.198 -4.345 3.670) 6.097 8.779 ( 3.156 1.747 1.186) 3.797 8.866 ( 11.090 -6.392 0.686) 12.818 9.118 ( -5.625 15.600 -1.114) 16.621 9.451 ( -1.750 -11.733 -0.215) 11.865 9.620 ( 7.742 5.972 2.712) 10.147 9.876 ( 7.321 -13.976 4.415) 16.384 11.066 ( -2.801 14.405 -1.583) 14.760 11.290 ( -3.368 -4.775 -1.769) 6.106 11.681 ( 6.555 3.597 -2.050) 7.753 11.751 ( 7.199 -2.940 -1.469) 7.914 12.068 ( 1.950 16.159 3.601) 16.669 12.197 ( 1.350 6.939 0.961) 7.134 12.364 ( 2.700 -8.503 1.749) 9.091 12.531 ( 1.485 -25.107 4.381) 25.530 13.464 ( -4.254 16.522 3.529) 17.421 13.783 ( -3.365 -12.540 8.031) 15.267 14.618 ( -12.889 2.065 -1.766) 13.173 14.666 ( -10.382 -2.648 -6.497) 12.530 15.388 ( 3.889 1.001 3.384) 5.251 15.411 ( 2.216 -1.041 1.433) 2.837 15.960 ( 2.021 4.067 -5.684) 7.275 16.088 ( 2.976 -7.317 -4.621) 9.151 16.701 ( -2.563 7.588 -3.369) 8.689 16.798 ( -1.828 -1.877 -3.466) 4.345 ======================= Grid point 335 (118/120) ======================= q-point: ( 0.22 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( -2.440 0.470 3.629) 4.398 3.813 ( -1.791 -0.884 3.751) 4.249 3.979 ( 3.916 14.522 -1.471) 15.112 4.301 ( 0.779 -15.900 -0.512) 15.927 5.151 ( 3.252 7.923 10.016) 13.179 5.240 ( 2.365 0.196 3.961) 4.618 5.313 ( 1.172 -0.282 -1.426) 1.867 5.403 ( -1.214 -7.668 2.058) 8.031 6.225 ( 10.328 5.843 -2.507) 12.128 6.300 ( 5.611 -1.271 -2.266) 6.183 7.436 ( -18.743 -0.264 3.949) 19.156 7.473 ( -12.969 -3.724 4.893) 14.353 7.843 ( 10.768 3.347 -2.926) 11.650 7.901 ( 11.923 -2.134 -2.736) 12.417 8.111 ( 8.204 2.180 1.292) 8.586 8.166 ( 8.966 -2.829 3.154) 9.916 8.383 ( -4.064 7.238 1.453) 8.427 8.510 ( -4.714 -5.079 2.934) 7.525 8.861 ( 4.609 8.057 1.269) 9.368 8.989 ( -5.475 13.896 1.580) 15.019 9.061 ( 6.116 -7.248 0.826) 9.520 9.357 ( -6.959 -17.644 1.329) 19.013 9.841 ( 13.609 9.516 1.599) 16.682 10.061 ( 11.117 -10.941 1.970) 15.722 10.997 ( -4.014 11.612 -1.705) 12.404 11.193 ( -6.368 -5.819 -2.311) 8.930 11.848 ( 9.855 4.594 -0.931) 10.913 11.928 ( 10.147 -1.857 0.343) 10.321 12.119 ( 3.283 17.716 2.977) 18.262 12.248 ( 3.929 6.557 -0.050) 7.645 12.443 ( 5.163 -11.361 2.324) 12.694 12.555 ( 0.699 -20.216 2.427) 20.373 13.369 ( -4.675 13.921 3.135) 15.016 13.690 ( -6.054 -14.404 7.621) 17.384 14.314 ( -17.212 4.761 -1.722) 17.941 14.413 ( -14.827 -4.803 -7.059) 17.110 15.446 ( 1.058 0.393 0.616) 1.286 15.450 ( 2.048 0.009 3.059) 3.681 16.018 ( 3.908 5.857 -5.170) 8.735 16.164 ( 4.613 -7.307 -3.596) 9.359 16.633 ( -4.335 7.805 -3.035) 9.430 16.745 ( -3.504 -3.020 -3.054) 5.543 ======================= Grid point 336 (119/120) ======================= q-point: ( 0.33 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( -2.279 -0.034 1.529) 2.745 3.765 ( -2.656 -1.559 1.168) 3.293 4.095 ( 7.215 10.064 0.387) 12.389 4.320 ( 0.701 -11.201 0.343) 11.228 5.221 ( 3.387 6.649 7.119) 10.313 5.329 ( 4.725 -2.683 6.127) 8.189 5.378 ( 4.270 -0.941 0.032) 4.372 5.403 ( 5.446 -2.372 -0.350) 5.951 6.285 ( -5.943 6.302 -1.572) 8.804 6.389 ( 1.015 -3.125 -1.389) 3.567 7.068 ( -13.302 9.113 3.617) 16.525 7.278 ( -7.096 -9.896 2.989) 12.538 8.053 ( 8.015 2.946 0.313) 8.545 8.102 ( 5.849 -1.539 -0.259) 6.054 8.289 ( 5.176 3.688 2.941) 7.003 8.297 ( 7.712 3.765 2.598) 8.967 8.407 ( 5.380 -3.333 1.399) 6.481 8.446 ( 3.631 -6.113 -1.130) 7.199 8.851 ( -7.459 14.414 2.372) 16.402 8.945 ( 3.348 8.671 2.760) 9.696 9.139 ( 0.781 -9.397 2.793) 9.834 9.197 ( -8.887 -15.657 0.619) 18.014 10.114 ( 13.820 8.021 1.273) 16.030 10.278 ( 10.423 -7.383 1.564) 12.868 10.920 ( -3.727 7.305 -2.003) 8.442 11.055 ( -7.482 -5.113 -2.483) 9.396 12.032 ( 8.609 6.673 0.590) 10.908 12.108 ( 7.201 4.863 4.616) 9.839 12.207 ( 6.365 14.790 -1.478) 16.169 12.339 ( 5.171 1.938 -0.307) 5.531 12.482 ( -3.013 -9.335 5.134) 11.071 12.601 ( 4.572 -15.453 -3.159) 16.421 13.312 ( -0.813 5.082 3.529) 6.241 13.561 ( -6.917 -14.683 6.954) 17.657 13.997 ( -14.030 7.185 -2.517) 15.962 14.125 ( -13.973 -5.358 -6.703) 16.397 15.451 ( -0.349 0.831 0.126) 0.910 15.464 ( -0.341 -0.406 1.862) 1.936 16.108 ( 5.228 7.391 -4.016) 9.904 16.254 ( 4.244 -5.450 -2.760) 7.438 16.544 ( -4.330 6.617 -2.693) 8.353 16.665 ( -4.679 -4.278 -2.584) 6.846 ======================= Grid point 337 (120/120) ======================= q-point: ( 0.44 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( -0.670 -0.704 0.681) 1.187 3.724 ( -1.346 -1.284 0.602) 1.956 4.228 ( 5.866 3.311 0.244) 6.740 4.308 ( -2.281 -4.225 0.236) 4.807 5.277 ( 2.529 3.439 6.383) 7.679 5.322 ( -2.063 -0.777 6.506) 6.869 5.561 ( 10.474 0.450 -1.160) 10.547 5.588 ( 9.233 -1.859 -0.877) 9.459 6.110 ( -7.547 4.122 0.885) 8.645 6.207 ( -14.873 -4.889 1.227) 15.704 7.033 ( 6.200 9.334 1.579) 11.317 7.165 ( -5.985 -2.710 1.569) 6.754 8.108 ( 0.815 -0.651 4.299) 4.423 8.137 ( -1.356 -2.893 4.180) 5.261 8.375 ( 4.871 3.022 -1.464) 5.917 8.423 ( 0.210 -1.216 -0.823) 1.483 8.502 ( 10.085 7.851 -0.615) 12.796 8.661 ( 3.103 0.997 -3.305) 4.642 8.714 ( 1.748 1.636 6.786) 7.196 8.932 ( -9.447 -8.435 6.529) 14.249 9.062 ( 1.327 -1.968 -0.290) 2.391 9.126 ( -3.044 -5.146 2.030) 6.314 10.346 ( 9.080 4.999 1.905) 10.538 10.418 ( 2.462 -1.524 2.267) 3.678 10.870 ( -0.543 1.669 -2.716) 3.234 10.922 ( -5.558 -3.116 -2.775) 6.950 12.170 ( 5.213 9.271 3.431) 11.176 12.202 ( 2.672 8.985 6.253) 11.268 12.308 ( 2.830 14.141 -2.796) 14.690 12.388 ( -5.412 4.232 0.851) 6.923 12.476 ( 9.318 -10.417 -1.695) 14.078 12.623 ( -3.767 -15.731 -2.928) 16.439 13.338 ( 3.366 -5.661 5.244) 8.419 13.433 ( -6.051 -12.438 6.125) 15.127 13.830 ( -2.199 5.381 -3.919) 7.011 13.901 ( -8.462 -1.775 -5.777) 10.399 15.443 ( -0.191 0.441 0.073) 0.486 15.449 ( -0.822 -0.167 0.669) 1.073 16.214 ( 5.357 7.574 -3.017) 9.755 16.291 ( -1.523 2.742 -2.542) 4.037 16.502 ( 1.127 -0.703 -2.386) 2.731 16.570 ( -4.797 -4.782 -2.293) 7.151 =================== 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 3/28350 10.0 2276.963 909.439 1913.661 0.000 0.000 0.000 3/28350 20.0 1231.886 1067.364 1005.144 0.000 0.000 0.000 3/28350 30.0 524.449 474.461 528.712 0.000 0.000 0.000 3/28350 40.0 267.217 240.675 315.001 0.000 0.000 0.000 3/28350 50.0 155.283 142.486 206.126 0.000 0.000 0.000 3/28350 60.0 100.390 93.927 146.311 0.000 0.000 0.000 3/28350 70.0 70.553 66.958 110.553 0.000 0.000 0.000 3/28350 80.0 52.873 50.634 87.497 0.000 0.000 0.000 3/28350 90.0 41.617 40.065 71.713 0.000 0.000 0.000 3/28350 100.0 34.014 32.842 60.390 0.000 0.000 0.000 3/28350 110.0 28.624 27.682 51.963 0.000 0.000 0.000 3/28350 120.0 24.647 23.859 45.498 0.000 0.000 0.000 3/28350 130.0 21.614 20.938 40.414 0.000 0.000 0.000 3/28350 140.0 19.238 18.647 36.329 0.000 0.000 0.000 3/28350 150.0 17.332 16.811 32.986 0.000 0.000 0.000 3/28350 160.0 15.774 15.310 30.207 0.000 0.000 0.000 3/28350 170.0 14.478 14.062 27.864 0.000 0.000 0.000 3/28350 180.0 13.384 13.010 25.865 0.000 0.000 0.000 3/28350 190.0 12.448 12.112 24.140 0.000 0.000 0.000 3/28350 200.0 11.640 11.336 22.637 0.000 0.000 0.000 3/28350 210.0 10.935 10.658 21.316 0.000 0.000 0.000 3/28350 220.0 10.313 10.062 20.147 0.000 0.000 0.000 3/28350 230.0 9.762 9.533 19.104 0.000 0.000 0.000 3/28350 240.0 9.269 9.060 18.168 0.000 0.000 0.000 3/28350 250.0 8.826 8.634 17.323 0.000 0.000 0.000 3/28350 260.0 8.425 8.249 16.557 0.000 0.000 0.000 3/28350 270.0 8.061 7.899 15.858 0.000 0.000 0.000 3/28350 280.0 7.728 7.579 15.218 0.000 0.000 0.000 3/28350 290.0 7.423 7.285 14.630 0.000 0.000 0.000 3/28350 300.0 7.142 7.015 14.088 0.000 0.000 0.000 3/28350 310.0 6.883 6.764 13.586 0.000 0.000 0.000 3/28350 320.0 6.643 6.532 13.120 0.000 0.000 0.000 3/28350 330.0 6.419 6.316 12.686 0.000 0.000 0.000 3/28350 340.0 6.211 6.115 12.281 0.000 0.000 0.000 3/28350 350.0 6.016 5.926 11.901 0.000 0.000 0.000 3/28350 360.0 5.833 5.750 11.546 0.000 0.000 0.000 3/28350 370.0 5.662 5.583 11.212 0.000 0.000 0.000 3/28350 380.0 5.501 5.427 10.897 0.000 0.000 0.000 3/28350 390.0 5.349 5.279 10.600 0.000 0.000 0.000 3/28350 400.0 5.205 5.140 10.319 0.000 0.000 0.000 3/28350 410.0 5.070 5.008 10.053 0.000 0.000 0.000 3/28350 420.0 4.941 4.883 9.801 0.000 0.000 0.000 3/28350 430.0 4.819 4.764 9.561 0.000 0.000 0.000 3/28350 440.0 4.703 4.650 9.334 0.000 0.000 0.000 3/28350 450.0 4.592 4.543 9.117 0.000 0.000 0.000 3/28350 460.0 4.487 4.440 8.910 0.000 0.000 0.000 3/28350 470.0 4.387 4.342 8.713 0.000 0.000 0.000 3/28350 480.0 4.291 4.248 8.524 0.000 0.000 0.000 3/28350 490.0 4.199 4.158 8.344 0.000 0.000 0.000 3/28350 500.0 4.111 4.073 8.171 0.000 0.000 0.000 3/28350 510.0 4.027 3.990 8.005 0.000 0.000 0.000 3/28350 520.0 3.947 3.911 7.846 0.000 0.000 0.000 3/28350 530.0 3.869 3.835 7.694 0.000 0.000 0.000 3/28350 540.0 3.795 3.762 7.547 0.000 0.000 0.000 3/28350 550.0 3.723 3.692 7.406 0.000 0.000 0.000 3/28350 560.0 3.654 3.625 7.270 0.000 0.000 0.000 3/28350 570.0 3.588 3.560 7.139 0.000 0.000 0.000 3/28350 580.0 3.524 3.497 7.013 0.000 0.000 0.000 3/28350 590.0 3.463 3.436 6.892 0.000 0.000 0.000 3/28350 600.0 3.403 3.378 6.774 0.000 0.000 0.000 3/28350 610.0 3.346 3.321 6.661 0.000 0.000 0.000 3/28350 620.0 3.290 3.267 6.551 0.000 0.000 0.000 3/28350 630.0 3.237 3.214 6.445 0.000 0.000 0.000 3/28350 640.0 3.185 3.163 6.342 0.000 0.000 0.000 3/28350 650.0 3.135 3.113 6.243 0.000 0.000 0.000 3/28350 660.0 3.086 3.065 6.147 0.000 0.000 0.000 3/28350 670.0 3.039 3.019 6.053 0.000 0.000 0.000 3/28350 680.0 2.993 2.974 5.963 0.000 0.000 0.000 3/28350 690.0 2.949 2.930 5.875 0.000 0.000 0.000 3/28350 700.0 2.906 2.888 5.790 0.000 0.000 0.000 3/28350 710.0 2.864 2.846 5.707 0.000 0.000 0.000 3/28350 720.0 2.824 2.806 5.627 0.000 0.000 0.000 3/28350 730.0 2.784 2.767 5.549 0.000 0.000 0.000 3/28350 740.0 2.746 2.730 5.473 0.000 0.000 0.000 3/28350 750.0 2.709 2.693 5.399 0.000 0.000 0.000 3/28350 760.0 2.672 2.657 5.327 0.000 0.000 0.000 3/28350 770.0 2.637 2.622 5.257 0.000 0.000 0.000 3/28350 780.0 2.603 2.588 5.189 0.000 0.000 0.000 3/28350 790.0 2.569 2.555 5.123 0.000 0.000 0.000 3/28350 800.0 2.537 2.523 5.058 0.000 0.000 0.000 3/28350 810.0 2.505 2.491 4.995 0.000 0.000 0.000 3/28350 820.0 2.474 2.461 4.933 0.000 0.000 0.000 3/28350 830.0 2.444 2.431 4.873 0.000 0.000 0.000 3/28350 840.0 2.414 2.402 4.815 0.000 0.000 0.000 3/28350 850.0 2.385 2.373 4.758 0.000 0.000 0.000 3/28350 860.0 2.357 2.345 4.702 0.000 0.000 0.000 3/28350 870.0 2.330 2.318 4.647 0.000 0.000 0.000 3/28350 880.0 2.303 2.291 4.594 0.000 0.000 0.000 3/28350 890.0 2.277 2.266 4.542 0.000 0.000 0.000 3/28350 900.0 2.251 2.240 4.491 0.000 0.000 0.000 3/28350 910.0 2.226 2.215 4.442 0.000 0.000 0.000 3/28350 920.0 2.202 2.191 4.393 0.000 0.000 0.000 3/28350 930.0 2.178 2.167 4.345 0.000 0.000 0.000 3/28350 940.0 2.154 2.144 4.299 0.000 0.000 0.000 3/28350 950.0 2.131 2.122 4.253 0.000 0.000 0.000 3/28350 960.0 2.109 2.099 4.209 0.000 0.000 0.000 3/28350 970.0 2.087 2.078 4.165 0.000 0.000 0.000 3/28350 980.0 2.066 2.056 4.122 0.000 0.000 0.000 3/28350 990.0 2.044 2.035 4.080 0.000 0.000 0.000 3/28350 1000.0 2.024 2.015 4.039 0.000 0.000 0.000 3/28350 Thermal conductivity related properties were written into "kappa-m9515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:26:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|