----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:11:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.483783300117954 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671917119999999 0.000000000000000 c -6.431802709073512 0.000000000000000 9.210744933713039 Atomic positions (fractional): *1 F 0.23712272627701 0.23725490371912 0.55699489630274 18.998 2 F 0.76287727372299 0.73725490371912 0.94300510369726 18.998 3 F 0.76287727372299 0.76274509628088 0.44300510369726 18.998 4 F 0.23712272627701 0.26274509628088 0.05699489630274 18.998 *5 F 0.68995645471945 0.31487225262820 0.45710046789605 18.998 6 F 0.31004354528055 0.81487225262820 0.04289953210395 18.998 7 F 0.31004354528055 0.68512774737180 0.54289953210395 18.998 8 F 0.68995645471945 0.18512774737180 0.95710046789605 18.998 *9 F 0.86943330251216 0.04007835662236 0.77582102313831 18.998 10 F 0.13056669748784 0.54007835662236 0.72417897686169 18.998 11 F 0.13056669748784 0.95992164337764 0.22417897686169 18.998 12 F 0.86943330251216 0.45992164337765 0.27582102313831 18.998 *13 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 14 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 *15 Rb 0.26643080131124 0.54658956165101 0.25200283159144 85.468 16 Rb 0.26643080131124 0.95341043834899 0.75200283159144 85.468 17 Rb 0.73356919868876 0.04658956165101 0.24799716840856 85.468 18 Rb 0.73356919868876 0.45341043834899 0.74799716840856 85.468 *19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.483783300117954 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671917119999999 0.000000000000000 c -6.431802709073512 0.000000000000000 9.210744933713039 Atomic positions (fractional): *1 F 0.23712272627701 0.23725490371912 0.55699489630274 18.998 > 1 2 F 0.76287727372299 0.73725490371912 0.94300510369726 18.998 > 2 3 F 0.76287727372299 0.76274509628088 0.44300510369726 18.998 > 3 4 F 0.23712272627701 0.26274509628088 0.05699489630274 18.998 > 4 *5 F 0.68995645471945 0.31487225262820 0.45710046789605 18.998 > 5 6 F 0.31004354528055 0.81487225262820 0.04289953210395 18.998 > 6 7 F 0.31004354528055 0.68512774737180 0.54289953210395 18.998 > 7 8 F 0.68995645471945 0.18512774737180 0.95710046789605 18.998 > 8 *9 F 0.86943330251216 0.04007835662236 0.77582102313831 18.998 > 9 10 F 0.13056669748784 0.54007835662236 0.72417897686169 18.998 > 10 11 F 0.13056669748784 0.95992164337764 0.22417897686169 18.998 > 11 12 F 0.86943330251216 0.45992164337765 0.27582102313831 18.998 > 12 *13 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 13 14 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 14 *15 Rb 0.26643080131124 0.54658956165101 0.25200283159144 85.468 > 15 16 Rb 0.26643080131124 0.95341043834899 0.75200283159144 85.468 > 16 17 Rb 0.73356919868876 0.04658956165101 0.24799716840856 85.468 > 17 18 Rb 0.73356919868876 0.45341043834899 0.74799716840856 85.468 > 18 *19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 19 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.967566600235909 0.000000000000000 0.000000000000000 b 0.000000000000000 13.343834239999998 0.000000000000000 c -6.431802709073512 0.000000000000000 9.210744933713039 Atomic positions (fractional): *1 F 0.11856136313850 0.11862745185956 0.55699489630274 18.998 > 1 2 F 0.61856136313850 0.11862745185956 0.55699489630274 18.998 > 1 3 F 0.11856136313850 0.61862745185956 0.55699489630274 18.998 > 1 4 F 0.61856136313850 0.61862745185956 0.55699489630274 18.998 > 1 5 F 0.38143863686150 0.36862745185956 0.94300510369726 18.998 > 2 6 F 0.88143863686150 0.36862745185956 0.94300510369726 18.998 > 2 7 F 0.38143863686150 0.86862745185956 0.94300510369726 18.998 > 2 8 F 0.88143863686150 0.86862745185956 0.94300510369726 18.998 > 2 9 F 0.38143863686150 0.38137254814044 0.44300510369726 18.998 > 3 10 F 0.88143863686150 0.38137254814044 0.44300510369726 18.998 > 3 11 F 0.38143863686150 0.88137254814044 0.44300510369726 18.998 > 3 12 F 0.88143863686150 0.88137254814044 0.44300510369726 18.998 > 3 13 F 0.11856136313850 0.13137254814044 0.05699489630274 18.998 > 4 14 F 0.61856136313850 0.13137254814044 0.05699489630274 18.998 > 4 15 F 0.11856136313850 0.63137254814044 0.05699489630274 18.998 > 4 16 F 0.61856136313850 0.63137254814044 0.05699489630274 18.998 > 4 *17 F 0.34497822735973 0.15743612631410 0.45710046789605 18.998 > 5 18 F 0.84497822735973 0.15743612631410 0.45710046789605 18.998 > 5 19 F 0.34497822735973 0.65743612631410 0.45710046789605 18.998 > 5 20 F 0.84497822735973 0.65743612631410 0.45710046789605 18.998 > 5 21 F 0.15502177264027 0.40743612631410 0.04289953210395 18.998 > 6 22 F 0.65502177264027 0.40743612631410 0.04289953210395 18.998 > 6 23 F 0.15502177264027 0.90743612631410 0.04289953210395 18.998 > 6 24 F 0.65502177264027 0.90743612631410 0.04289953210395 18.998 > 6 25 F 0.15502177264027 0.34256387368590 0.54289953210395 18.998 > 7 26 F 0.65502177264027 0.34256387368590 0.54289953210395 18.998 > 7 27 F 0.15502177264027 0.84256387368590 0.54289953210395 18.998 > 7 28 F 0.65502177264027 0.84256387368590 0.54289953210395 18.998 > 7 29 F 0.34497822735973 0.09256387368590 0.95710046789605 18.998 > 8 30 F 0.84497822735973 0.09256387368590 0.95710046789605 18.998 > 8 31 F 0.34497822735973 0.59256387368590 0.95710046789605 18.998 > 8 32 F 0.84497822735973 0.59256387368590 0.95710046789605 18.998 > 8 *33 F 0.43471665125608 0.02003917831118 0.77582102313831 18.998 > 9 34 F 0.93471665125608 0.02003917831118 0.77582102313831 18.998 > 9 35 F 0.43471665125608 0.52003917831118 0.77582102313831 18.998 > 9 36 F 0.93471665125608 0.52003917831118 0.77582102313831 18.998 > 9 37 F 0.06528334874392 0.27003917831118 0.72417897686169 18.998 > 10 38 F 0.56528334874392 0.27003917831118 0.72417897686169 18.998 > 10 39 F 0.06528334874392 0.77003917831118 0.72417897686169 18.998 > 10 40 F 0.56528334874392 0.77003917831118 0.72417897686169 18.998 > 10 41 F 0.06528334874392 0.47996082168882 0.22417897686169 18.998 > 11 42 F 0.56528334874392 0.47996082168882 0.22417897686169 18.998 > 11 43 F 0.06528334874392 0.97996082168882 0.22417897686169 18.998 > 11 44 F 0.56528334874392 0.97996082168882 0.22417897686169 18.998 > 11 45 F 0.43471665125608 0.22996082168882 0.27582102313831 18.998 > 12 46 F 0.93471665125608 0.22996082168882 0.27582102313831 18.998 > 12 47 F 0.43471665125608 0.72996082168882 0.27582102313831 18.998 > 12 48 F 0.93471665125608 0.72996082168882 0.27582102313831 18.998 > 12 *49 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 13 50 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 13 51 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 13 52 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 13 53 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 14 54 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 14 55 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 14 56 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 14 *57 Rb 0.13321540065562 0.27329478082550 0.25200283159144 85.468 > 15 58 Rb 0.63321540065562 0.27329478082550 0.25200283159144 85.468 > 15 59 Rb 0.13321540065562 0.77329478082550 0.25200283159144 85.468 > 15 60 Rb 0.63321540065562 0.77329478082550 0.25200283159144 85.468 > 15 61 Rb 0.13321540065562 0.47670521917450 0.75200283159144 85.468 > 16 62 Rb 0.63321540065562 0.47670521917450 0.75200283159144 85.468 > 16 63 Rb 0.13321540065562 0.97670521917450 0.75200283159144 85.468 > 16 64 Rb 0.63321540065562 0.97670521917450 0.75200283159144 85.468 > 16 65 Rb 0.36678459934438 0.02329478082550 0.24799716840856 85.468 > 17 66 Rb 0.86678459934438 0.02329478082550 0.24799716840856 85.468 > 17 67 Rb 0.36678459934438 0.52329478082550 0.24799716840856 85.468 > 17 68 Rb 0.86678459934438 0.52329478082550 0.24799716840856 85.468 > 17 69 Rb 0.36678459934438 0.22670521917450 0.74799716840856 85.468 > 18 70 Rb 0.86678459934438 0.22670521917450 0.74799716840856 85.468 > 18 71 Rb 0.36678459934438 0.72670521917450 0.74799716840856 85.468 > 18 72 Rb 0.86678459934438 0.72670521917450 0.74799716840856 85.468 > 18 *73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 19 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 19 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 19 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 19 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 20 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 20 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0792911 0.0000000 0.0071483 0.0000000 2.0751786 0.0000000 0.0071481 0.0000000 2.0689680 -------------------------- Born effective charges -------------------------- 1 F -1.1283912 0.3152417 -0.1263424 0.3189428 -1.4213609 0.1738956 -0.1261076 0.1720008 -0.9467027 2 F -1.1283912 -0.3152417 -0.1263424 -0.3189428 -1.4213609 -0.1738956 -0.1261076 -0.1720008 -0.9467027 3 F -1.1283912 0.3152417 -0.1263424 0.3189428 -1.4213609 0.1738956 -0.1261076 0.1720008 -0.9467027 4 F -1.1283912 -0.3152417 -0.1263424 -0.3189428 -1.4213609 -0.1738956 -0.1261076 -0.1720008 -0.9467027 5 F -1.3855775 -0.3320553 -0.0938912 -0.3269422 -1.1694941 -0.0614877 -0.1012475 -0.0641891 -0.9389441 6 F -1.3855775 0.3320553 -0.0938912 0.3269422 -1.1694941 0.0614877 -0.1012475 0.0641891 -0.9389441 7 F -1.3855775 -0.3320553 -0.0938912 -0.3269422 -1.1694941 -0.0614877 -0.1012475 -0.0641891 -0.9389441 8 F -1.3855775 0.3320553 -0.0938912 0.3269422 -1.1694941 0.0614877 -0.1012475 0.0641891 -0.9389441 9 F -1.0033103 0.0383280 0.1922647 0.0398917 -0.9085870 0.1069745 0.1891374 0.1027447 -1.5821599 10 F -1.0033103 -0.0383280 0.1922647 -0.0398917 -0.9085870 -0.1069745 0.1891374 -0.1027447 -1.5821599 11 F -1.0033103 0.0383280 0.1922647 0.0398917 -0.9085870 0.1069745 0.1891374 0.1027447 -1.5821599 12 F -1.0033103 -0.0383280 0.1922647 -0.0398917 -0.9085870 -0.1069745 0.1891374 -0.1027447 -1.5821599 13 K 1.2098030 -0.0377719 -0.0444192 0.0004369 1.2367189 -0.0354592 0.0238400 -0.0452265 1.2267208 14 K 1.2098030 0.0377719 -0.0444192 -0.0004369 1.2367189 0.0354592 0.0238400 0.0452265 1.2267208 15 Rb 1.2261607 -0.0404135 0.0215751 -0.0432866 1.2202788 -0.0078412 -0.0057570 -0.0264036 1.1709913 16 Rb 1.2261607 0.0404135 0.0215751 0.0432866 1.2202788 0.0078412 -0.0057570 0.0264036 1.1709913 17 Rb 1.2261607 0.0404135 0.0215751 0.0432866 1.2202788 0.0078412 -0.0057570 0.0264036 1.1709913 18 Rb 1.2261607 -0.0404135 0.0215751 -0.0432866 1.2202788 -0.0078412 -0.0057570 -0.0264036 1.1709913 19 Y 3.3724335 -0.0287519 0.0572068 -0.0443971 3.3216076 0.0942967 0.0641095 0.0707264 3.3669100 20 Y 3.3724335 0.0287519 0.0572068 0.0443971 3.3216076 -0.0942967 0.0641095 -0.0707264 3.3669100 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.214 Solver_block: 200 / 640 - Time: 2.300 Solver_block: 300 / 640 - Time: 2.346 Solver_block: 400 / 640 - Time: 2.215 Solver_block: 500 / 640 - Time: 2.189 Solver_block: 600 / 640 - Time: 2.222 Solver_block: 640 / 640 - Time: 0.982 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.693 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:12:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:12:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.483783300117954 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671917119999999 0.000000000000000 c -6.431802709073512 0.000000000000000 9.210744933713039 Atomic positions (fractional): 1 F 0.23712272627701 0.23725490371912 0.55699489630274 18.998 2 F 0.76287727372299 0.73725490371912 0.94300510369726 18.998 3 F 0.76287727372299 0.76274509628088 0.44300510369726 18.998 4 F 0.23712272627701 0.26274509628088 0.05699489630274 18.998 5 F 0.68995645471945 0.31487225262820 0.45710046789605 18.998 6 F 0.31004354528055 0.81487225262820 0.04289953210395 18.998 7 F 0.31004354528055 0.68512774737180 0.54289953210395 18.998 8 F 0.68995645471945 0.18512774737180 0.95710046789605 18.998 9 F 0.86943330251216 0.04007835662236 0.77582102313831 18.998 10 F 0.13056669748784 0.54007835662236 0.72417897686169 18.998 11 F 0.13056669748784 0.95992164337764 0.22417897686169 18.998 12 F 0.86943330251216 0.45992164337765 0.27582102313831 18.998 13 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 14 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 15 Rb 0.26643080131124 0.54658956165101 0.25200283159144 85.468 16 Rb 0.26643080131124 0.95341043834899 0.75200283159144 85.468 17 Rb 0.73356919868876 0.04658956165101 0.24799716840856 85.468 18 Rb 0.73356919868876 0.45341043834899 0.74799716840856 85.468 19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.967566600235909 0.000000000000000 0.000000000000000 b 0.000000000000000 13.343834239999998 0.000000000000000 c -6.431802709073512 0.000000000000000 9.210744933713039 Atomic positions (fractional): 1 F 0.11856136313850 0.11862745185956 0.55699489630274 18.998 > 1 2 F 0.61856136313850 0.11862745185956 0.55699489630274 18.998 > 1 3 F 0.11856136313850 0.61862745185956 0.55699489630274 18.998 > 1 4 F 0.61856136313850 0.61862745185956 0.55699489630274 18.998 > 1 5 F 0.38143863686150 0.36862745185956 0.94300510369726 18.998 > 5 6 F 0.88143863686150 0.36862745185956 0.94300510369726 18.998 > 5 7 F 0.38143863686150 0.86862745185956 0.94300510369726 18.998 > 5 8 F 0.88143863686150 0.86862745185956 0.94300510369726 18.998 > 5 9 F 0.38143863686150 0.38137254814044 0.44300510369726 18.998 > 9 10 F 0.88143863686150 0.38137254814044 0.44300510369726 18.998 > 9 11 F 0.38143863686150 0.88137254814044 0.44300510369726 18.998 > 9 12 F 0.88143863686150 0.88137254814044 0.44300510369726 18.998 > 9 13 F 0.11856136313850 0.13137254814044 0.05699489630274 18.998 > 13 14 F 0.61856136313850 0.13137254814044 0.05699489630274 18.998 > 13 15 F 0.11856136313850 0.63137254814044 0.05699489630274 18.998 > 13 16 F 0.61856136313850 0.63137254814044 0.05699489630274 18.998 > 13 17 F 0.34497822735973 0.15743612631410 0.45710046789605 18.998 > 17 18 F 0.84497822735973 0.15743612631410 0.45710046789605 18.998 > 17 19 F 0.34497822735973 0.65743612631410 0.45710046789605 18.998 > 17 20 F 0.84497822735973 0.65743612631410 0.45710046789605 18.998 > 17 21 F 0.15502177264027 0.40743612631410 0.04289953210395 18.998 > 21 22 F 0.65502177264027 0.40743612631410 0.04289953210395 18.998 > 21 23 F 0.15502177264027 0.90743612631410 0.04289953210395 18.998 > 21 24 F 0.65502177264027 0.90743612631410 0.04289953210395 18.998 > 21 25 F 0.15502177264027 0.34256387368590 0.54289953210395 18.998 > 25 26 F 0.65502177264027 0.34256387368590 0.54289953210395 18.998 > 25 27 F 0.15502177264027 0.84256387368590 0.54289953210395 18.998 > 25 28 F 0.65502177264027 0.84256387368590 0.54289953210395 18.998 > 25 29 F 0.34497822735973 0.09256387368590 0.95710046789605 18.998 > 29 30 F 0.84497822735973 0.09256387368590 0.95710046789605 18.998 > 29 31 F 0.34497822735973 0.59256387368590 0.95710046789605 18.998 > 29 32 F 0.84497822735973 0.59256387368590 0.95710046789605 18.998 > 29 33 F 0.43471665125608 0.02003917831118 0.77582102313831 18.998 > 33 34 F 0.93471665125608 0.02003917831118 0.77582102313831 18.998 > 33 35 F 0.43471665125608 0.52003917831118 0.77582102313831 18.998 > 33 36 F 0.93471665125608 0.52003917831118 0.77582102313831 18.998 > 33 37 F 0.06528334874392 0.27003917831118 0.72417897686169 18.998 > 37 38 F 0.56528334874392 0.27003917831118 0.72417897686169 18.998 > 37 39 F 0.06528334874392 0.77003917831118 0.72417897686169 18.998 > 37 40 F 0.56528334874392 0.77003917831118 0.72417897686169 18.998 > 37 41 F 0.06528334874392 0.47996082168882 0.22417897686169 18.998 > 41 42 F 0.56528334874392 0.47996082168882 0.22417897686169 18.998 > 41 43 F 0.06528334874392 0.97996082168882 0.22417897686169 18.998 > 41 44 F 0.56528334874392 0.97996082168882 0.22417897686169 18.998 > 41 45 F 0.43471665125608 0.22996082168882 0.27582102313831 18.998 > 45 46 F 0.93471665125608 0.22996082168882 0.27582102313831 18.998 > 45 47 F 0.43471665125608 0.72996082168882 0.27582102313831 18.998 > 45 48 F 0.93471665125608 0.72996082168882 0.27582102313831 18.998 > 45 49 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 49 50 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 49 51 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 49 52 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 49 53 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 53 54 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 53 55 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 53 56 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 53 57 Rb 0.13321540065562 0.27329478082550 0.25200283159144 85.468 > 57 58 Rb 0.63321540065562 0.27329478082550 0.25200283159144 85.468 > 57 59 Rb 0.13321540065562 0.77329478082550 0.25200283159144 85.468 > 57 60 Rb 0.63321540065562 0.77329478082550 0.25200283159144 85.468 > 57 61 Rb 0.13321540065562 0.47670521917450 0.75200283159144 85.468 > 61 62 Rb 0.63321540065562 0.47670521917450 0.75200283159144 85.468 > 61 63 Rb 0.13321540065562 0.97670521917450 0.75200283159144 85.468 > 61 64 Rb 0.63321540065562 0.97670521917450 0.75200283159144 85.468 > 61 65 Rb 0.36678459934438 0.02329478082550 0.24799716840856 85.468 > 65 66 Rb 0.86678459934438 0.02329478082550 0.24799716840856 85.468 > 65 67 Rb 0.36678459934438 0.52329478082550 0.24799716840856 85.468 > 65 68 Rb 0.86678459934438 0.52329478082550 0.24799716840856 85.468 > 65 69 Rb 0.36678459934438 0.22670521917450 0.74799716840856 85.468 > 69 70 Rb 0.86678459934438 0.22670521917450 0.74799716840856 85.468 > 69 71 Rb 0.36678459934438 0.72670521917450 0.74799716840856 85.468 > 69 72 Rb 0.86678459934438 0.72670521917450 0.74799716840856 85.468 > 69 73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 73 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 73 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 73 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 73 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 77 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 77 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 77 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0792911 0.0000000 0.0071483 0.0000000 2.0751786 0.0000000 0.0071481 0.0000000 2.0689680 -------------------------- Born effective charges -------------------------- 1 F -1.1283912 0.3152417 -0.1263424 0.3189428 -1.4213609 0.1738956 -0.1261076 0.1720008 -0.9467027 2 F -1.1283912 -0.3152417 -0.1263424 -0.3189428 -1.4213609 -0.1738956 -0.1261076 -0.1720008 -0.9467027 3 F -1.1283912 0.3152417 -0.1263424 0.3189428 -1.4213609 0.1738956 -0.1261076 0.1720008 -0.9467027 4 F -1.1283912 -0.3152417 -0.1263424 -0.3189428 -1.4213609 -0.1738956 -0.1261076 -0.1720008 -0.9467027 5 F -1.3855775 -0.3320553 -0.0938912 -0.3269422 -1.1694941 -0.0614877 -0.1012475 -0.0641891 -0.9389441 6 F -1.3855775 0.3320553 -0.0938912 0.3269422 -1.1694941 0.0614877 -0.1012475 0.0641891 -0.9389441 7 F -1.3855775 -0.3320553 -0.0938912 -0.3269422 -1.1694941 -0.0614877 -0.1012475 -0.0641891 -0.9389441 8 F -1.3855775 0.3320553 -0.0938912 0.3269422 -1.1694941 0.0614877 -0.1012475 0.0641891 -0.9389441 9 F -1.0033103 0.0383280 0.1922647 0.0398917 -0.9085870 0.1069745 0.1891374 0.1027447 -1.5821599 10 F -1.0033103 -0.0383280 0.1922647 -0.0398917 -0.9085870 -0.1069745 0.1891374 -0.1027447 -1.5821599 11 F -1.0033103 0.0383280 0.1922647 0.0398917 -0.9085870 0.1069745 0.1891374 0.1027447 -1.5821599 12 F -1.0033103 -0.0383280 0.1922647 -0.0398917 -0.9085870 -0.1069745 0.1891374 -0.1027447 -1.5821599 13 K 1.2098030 -0.0377719 -0.0444192 0.0004369 1.2367189 -0.0354592 0.0238400 -0.0452265 1.2267208 14 K 1.2098030 0.0377719 -0.0444192 -0.0004369 1.2367189 0.0354592 0.0238400 0.0452265 1.2267208 15 Rb 1.2261607 -0.0404135 0.0215751 -0.0432866 1.2202788 -0.0078412 -0.0057570 -0.0264036 1.1709913 16 Rb 1.2261607 0.0404135 0.0215751 0.0432866 1.2202788 0.0078412 -0.0057570 0.0264036 1.1709913 17 Rb 1.2261607 0.0404135 0.0215751 0.0432866 1.2202788 0.0078412 -0.0057570 0.0264036 1.1709913 18 Rb 1.2261607 -0.0404135 0.0215751 -0.0432866 1.2202788 -0.0078412 -0.0057570 -0.0264036 1.1709913 19 Y 3.3724335 -0.0287519 0.0572068 -0.0443971 3.3216076 0.0942967 0.0641095 0.0707264 3.3669100 20 Y 3.3724335 0.0287519 0.0572068 0.0443971 3.3216076 -0.0942967 0.0641095 -0.0707264 3.3669100 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 17, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 33, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 57, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (xz) 0.00000006 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:12:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:12:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.483783300117954 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671917119999999 0.000000000000000 c -6.431802709073512 0.000000000000000 9.210744933713039 Atomic positions (fractional): 1 F 0.23712272627701 0.23725490371912 0.55699489630274 18.998 2 F 0.76287727372299 0.73725490371912 0.94300510369726 18.998 3 F 0.76287727372299 0.76274509628088 0.44300510369726 18.998 4 F 0.23712272627701 0.26274509628088 0.05699489630274 18.998 5 F 0.68995645471945 0.31487225262820 0.45710046789605 18.998 6 F 0.31004354528055 0.81487225262820 0.04289953210395 18.998 7 F 0.31004354528055 0.68512774737180 0.54289953210395 18.998 8 F 0.68995645471945 0.18512774737180 0.95710046789605 18.998 9 F 0.86943330251216 0.04007835662236 0.77582102313831 18.998 10 F 0.13056669748784 0.54007835662236 0.72417897686169 18.998 11 F 0.13056669748784 0.95992164337764 0.22417897686169 18.998 12 F 0.86943330251216 0.45992164337765 0.27582102313831 18.998 13 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 14 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 15 Rb 0.26643080131124 0.54658956165101 0.25200283159144 85.468 16 Rb 0.26643080131124 0.95341043834899 0.75200283159144 85.468 17 Rb 0.73356919868876 0.04658956165101 0.24799716840856 85.468 18 Rb 0.73356919868876 0.45341043834899 0.74799716840856 85.468 19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.967566600235909 0.000000000000000 0.000000000000000 b 0.000000000000000 13.343834239999998 0.000000000000000 c -6.431802709073512 0.000000000000000 9.210744933713039 Atomic positions (fractional): 1 F 0.11856136313850 0.11862745185956 0.55699489630274 18.998 > 1 2 F 0.61856136313850 0.11862745185956 0.55699489630274 18.998 > 1 3 F 0.11856136313850 0.61862745185956 0.55699489630274 18.998 > 1 4 F 0.61856136313850 0.61862745185956 0.55699489630274 18.998 > 1 5 F 0.38143863686150 0.36862745185956 0.94300510369726 18.998 > 5 6 F 0.88143863686150 0.36862745185956 0.94300510369726 18.998 > 5 7 F 0.38143863686150 0.86862745185956 0.94300510369726 18.998 > 5 8 F 0.88143863686150 0.86862745185956 0.94300510369726 18.998 > 5 9 F 0.38143863686150 0.38137254814044 0.44300510369726 18.998 > 9 10 F 0.88143863686150 0.38137254814044 0.44300510369726 18.998 > 9 11 F 0.38143863686150 0.88137254814044 0.44300510369726 18.998 > 9 12 F 0.88143863686150 0.88137254814044 0.44300510369726 18.998 > 9 13 F 0.11856136313850 0.13137254814044 0.05699489630274 18.998 > 13 14 F 0.61856136313850 0.13137254814044 0.05699489630274 18.998 > 13 15 F 0.11856136313850 0.63137254814044 0.05699489630274 18.998 > 13 16 F 0.61856136313850 0.63137254814044 0.05699489630274 18.998 > 13 17 F 0.34497822735973 0.15743612631410 0.45710046789605 18.998 > 17 18 F 0.84497822735973 0.15743612631410 0.45710046789605 18.998 > 17 19 F 0.34497822735973 0.65743612631410 0.45710046789605 18.998 > 17 20 F 0.84497822735973 0.65743612631410 0.45710046789605 18.998 > 17 21 F 0.15502177264027 0.40743612631410 0.04289953210395 18.998 > 21 22 F 0.65502177264027 0.40743612631410 0.04289953210395 18.998 > 21 23 F 0.15502177264027 0.90743612631410 0.04289953210395 18.998 > 21 24 F 0.65502177264027 0.90743612631410 0.04289953210395 18.998 > 21 25 F 0.15502177264027 0.34256387368590 0.54289953210395 18.998 > 25 26 F 0.65502177264027 0.34256387368590 0.54289953210395 18.998 > 25 27 F 0.15502177264027 0.84256387368590 0.54289953210395 18.998 > 25 28 F 0.65502177264027 0.84256387368590 0.54289953210395 18.998 > 25 29 F 0.34497822735973 0.09256387368590 0.95710046789605 18.998 > 29 30 F 0.84497822735973 0.09256387368590 0.95710046789605 18.998 > 29 31 F 0.34497822735973 0.59256387368590 0.95710046789605 18.998 > 29 32 F 0.84497822735973 0.59256387368590 0.95710046789605 18.998 > 29 33 F 0.43471665125608 0.02003917831118 0.77582102313831 18.998 > 33 34 F 0.93471665125608 0.02003917831118 0.77582102313831 18.998 > 33 35 F 0.43471665125608 0.52003917831118 0.77582102313831 18.998 > 33 36 F 0.93471665125608 0.52003917831118 0.77582102313831 18.998 > 33 37 F 0.06528334874392 0.27003917831118 0.72417897686169 18.998 > 37 38 F 0.56528334874392 0.27003917831118 0.72417897686169 18.998 > 37 39 F 0.06528334874392 0.77003917831118 0.72417897686169 18.998 > 37 40 F 0.56528334874392 0.77003917831118 0.72417897686169 18.998 > 37 41 F 0.06528334874392 0.47996082168882 0.22417897686169 18.998 > 41 42 F 0.56528334874392 0.47996082168882 0.22417897686169 18.998 > 41 43 F 0.06528334874392 0.97996082168882 0.22417897686169 18.998 > 41 44 F 0.56528334874392 0.97996082168882 0.22417897686169 18.998 > 41 45 F 0.43471665125608 0.22996082168882 0.27582102313831 18.998 > 45 46 F 0.93471665125608 0.22996082168882 0.27582102313831 18.998 > 45 47 F 0.43471665125608 0.72996082168882 0.27582102313831 18.998 > 45 48 F 0.93471665125608 0.72996082168882 0.27582102313831 18.998 > 45 49 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 49 50 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 49 51 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 49 52 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 49 53 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 53 54 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 53 55 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 53 56 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 53 57 Rb 0.13321540065562 0.27329478082550 0.25200283159144 85.468 > 57 58 Rb 0.63321540065562 0.27329478082550 0.25200283159144 85.468 > 57 59 Rb 0.13321540065562 0.77329478082550 0.25200283159144 85.468 > 57 60 Rb 0.63321540065562 0.77329478082550 0.25200283159144 85.468 > 57 61 Rb 0.13321540065562 0.47670521917450 0.75200283159144 85.468 > 61 62 Rb 0.63321540065562 0.47670521917450 0.75200283159144 85.468 > 61 63 Rb 0.13321540065562 0.97670521917450 0.75200283159144 85.468 > 61 64 Rb 0.63321540065562 0.97670521917450 0.75200283159144 85.468 > 61 65 Rb 0.36678459934438 0.02329478082550 0.24799716840856 85.468 > 65 66 Rb 0.86678459934438 0.02329478082550 0.24799716840856 85.468 > 65 67 Rb 0.36678459934438 0.52329478082550 0.24799716840856 85.468 > 65 68 Rb 0.86678459934438 0.52329478082550 0.24799716840856 85.468 > 65 69 Rb 0.36678459934438 0.22670521917450 0.74799716840856 85.468 > 69 70 Rb 0.86678459934438 0.22670521917450 0.74799716840856 85.468 > 69 71 Rb 0.36678459934438 0.72670521917450 0.74799716840856 85.468 > 69 72 Rb 0.86678459934438 0.72670521917450 0.74799716840856 85.468 > 69 73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 73 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 73 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 73 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 73 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 77 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 77 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 77 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0792911 0.0000000 0.0071483 0.0000000 2.0751786 0.0000000 0.0071481 0.0000000 2.0689680 -------------------------- Born effective charges -------------------------- 1 F -1.1283912 0.3152417 -0.1263424 0.3189428 -1.4213609 0.1738956 -0.1261076 0.1720008 -0.9467027 2 F -1.1283912 -0.3152417 -0.1263424 -0.3189428 -1.4213609 -0.1738956 -0.1261076 -0.1720008 -0.9467027 3 F -1.1283912 0.3152417 -0.1263424 0.3189428 -1.4213609 0.1738956 -0.1261076 0.1720008 -0.9467027 4 F -1.1283912 -0.3152417 -0.1263424 -0.3189428 -1.4213609 -0.1738956 -0.1261076 -0.1720008 -0.9467027 5 F -1.3855775 -0.3320553 -0.0938912 -0.3269422 -1.1694941 -0.0614877 -0.1012475 -0.0641891 -0.9389441 6 F -1.3855775 0.3320553 -0.0938912 0.3269422 -1.1694941 0.0614877 -0.1012475 0.0641891 -0.9389441 7 F -1.3855775 -0.3320553 -0.0938912 -0.3269422 -1.1694941 -0.0614877 -0.1012475 -0.0641891 -0.9389441 8 F -1.3855775 0.3320553 -0.0938912 0.3269422 -1.1694941 0.0614877 -0.1012475 0.0641891 -0.9389441 9 F -1.0033103 0.0383280 0.1922647 0.0398917 -0.9085870 0.1069745 0.1891374 0.1027447 -1.5821599 10 F -1.0033103 -0.0383280 0.1922647 -0.0398917 -0.9085870 -0.1069745 0.1891374 -0.1027447 -1.5821599 11 F -1.0033103 0.0383280 0.1922647 0.0398917 -0.9085870 0.1069745 0.1891374 0.1027447 -1.5821599 12 F -1.0033103 -0.0383280 0.1922647 -0.0398917 -0.9085870 -0.1069745 0.1891374 -0.1027447 -1.5821599 13 K 1.2098030 -0.0377719 -0.0444192 0.0004369 1.2367189 -0.0354592 0.0238400 -0.0452265 1.2267208 14 K 1.2098030 0.0377719 -0.0444192 -0.0004369 1.2367189 0.0354592 0.0238400 0.0452265 1.2267208 15 Rb 1.2261607 -0.0404135 0.0215751 -0.0432866 1.2202788 -0.0078412 -0.0057570 -0.0264036 1.1709913 16 Rb 1.2261607 0.0404135 0.0215751 0.0432866 1.2202788 0.0078412 -0.0057570 0.0264036 1.1709913 17 Rb 1.2261607 0.0404135 0.0215751 0.0432866 1.2202788 0.0078412 -0.0057570 0.0264036 1.1709913 18 Rb 1.2261607 -0.0404135 0.0215751 -0.0432866 1.2202788 -0.0078412 -0.0057570 -0.0264036 1.1709913 19 Y 3.3724335 -0.0287519 0.0572068 -0.0443971 3.3216076 0.0942967 0.0641095 0.0707264 3.3669100 20 Y 3.3724335 0.0287519 0.0572068 0.0443971 3.3216076 -0.0942967 0.0641095 -0.0707264 3.3669100 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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 7 5 ] 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: 0.56, Number of G-points: 315, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 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 1.112 ( 0.000 0.000 0.000) 0.000 1.519 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 10.904 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.328 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.650 ( 0.000 0.000 0.000) 0.000 11.710 ( 0.000 0.000 0.000) 0.000 11.938 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 13.808 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 15.645 0.000 8.356) 17.737 0.415 ( 13.961 0.000 13.287) 19.273 0.815 ( 28.810 0.000 23.771) 37.350 1.205 ( 9.618 0.000 -0.027) 9.618 1.461 ( -4.373 0.000 -9.933) 10.853 1.484 ( -5.820 0.000 0.074) 5.820 1.522 ( 0.014 0.000 -5.184) 5.184 1.644 ( -1.150 0.000 7.886) 7.969 1.739 ( -3.499 0.000 -0.199) 3.504 1.989 ( -0.455 0.000 -0.121) 0.471 2.003 ( -12.679 0.000 -2.424) 12.909 2.041 ( -0.626 0.000 5.487) 5.523 2.188 ( -9.500 0.000 3.808) 10.235 2.392 ( 0.203 0.000 -3.336) 3.342 2.479 ( 0.801 0.000 2.826) 2.937 2.518 ( 2.559 0.000 10.703) 11.004 2.533 ( 0.723 0.000 2.206) 2.321 2.774 ( -6.475 0.000 -11.022) 12.783 2.897 ( -1.028 0.000 -0.898) 1.365 2.959 ( -5.433 0.000 -1.135) 5.550 3.005 ( 0.892 0.000 0.781) 1.185 3.178 ( 8.532 0.000 4.257) 9.535 3.205 ( -0.557 0.000 2.482) 2.544 3.498 ( 5.969 0.000 -1.703) 6.207 3.587 ( -6.600 0.000 0.659) 6.632 3.794 ( 1.282 0.000 3.249) 3.493 3.887 ( 4.113 0.000 -5.575) 6.928 3.949 ( 2.995 0.000 -0.190) 3.001 3.961 ( 2.612 0.000 -2.017) 3.300 4.210 ( -1.696 0.000 9.726) 9.873 4.486 ( 0.763 0.000 -0.365) 0.845 4.536 ( -4.802 0.000 3.174) 5.756 4.709 ( 3.342 0.000 4.084) 5.277 4.978 ( 0.432 0.000 0.034) 0.433 4.979 ( 2.074 0.000 -11.758) 11.940 5.339 ( 0.782 0.000 2.397) 2.521 5.403 ( -6.228 0.000 8.273) 10.355 5.517 ( -3.130 0.000 -0.903) 3.258 5.829 ( 2.203 0.000 -6.831) 7.177 5.907 ( -1.383 0.000 1.020) 1.718 6.039 ( -2.907 0.000 0.622) 2.972 6.096 ( -4.837 0.000 -0.634) 4.879 6.110 ( -1.158 0.000 0.845) 1.434 6.284 ( 7.820 0.000 2.800) 8.306 6.303 ( -5.829 0.000 -1.794) 6.099 6.849 ( 6.310 0.000 -2.018) 6.625 6.972 ( 6.195 0.000 -7.340) 9.605 7.106 ( -0.385 0.000 -4.428) 4.445 10.912 ( 0.416 0.000 0.687) 0.803 11.030 ( -0.009 0.000 -0.726) 0.726 11.114 ( 0.848 0.000 -0.060) 0.850 11.321 ( -1.305 0.000 0.448) 1.380 11.411 ( -4.963 0.000 5.613) 7.492 11.506 ( 5.675 0.000 -8.843) 10.508 11.542 ( -6.870 0.000 -1.379) 7.007 12.004 ( 9.809 0.000 -16.164) 18.907 12.286 ( 0.606 0.000 19.918) 19.927 13.580 ( -3.446 0.000 0.571) 3.493 13.784 ( 0.243 0.000 0.258) 0.355 13.812 ( 0.216 0.000 0.217) 0.306 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 11.830 0.000 5.795) 13.173 0.777 ( 11.068 0.000 10.470) 15.236 1.250 ( -7.274 0.000 -6.342) 9.650 1.342 ( -6.351 0.000 -4.741) 7.926 1.368 ( 9.024 0.000 -3.264) 9.596 1.437 ( 4.685 0.000 -0.776) 4.748 1.464 ( 9.445 0.000 2.652) 9.810 1.626 ( -7.091 0.000 -2.453) 7.503 1.776 ( 6.768 0.000 9.544) 11.700 1.810 ( -6.898 0.000 1.314) 7.022 1.998 ( -1.014 0.000 7.559) 7.626 2.102 ( -5.470 0.000 4.090) 6.830 2.108 ( 0.794 0.000 5.663) 5.718 2.330 ( -2.118 0.000 -2.234) 3.078 2.382 ( -11.098 0.000 -3.814) 11.735 2.518 ( -0.024 0.000 -2.640) 2.640 2.653 ( 5.454 0.000 -7.021) 8.891 2.657 ( -1.675 0.000 4.307) 4.621 2.863 ( -5.018 0.000 3.976) 6.402 2.909 ( -1.565 0.000 6.017) 6.217 3.057 ( 3.115 0.000 4.379) 5.374 3.217 ( -0.140 0.000 1.262) 1.270 3.369 ( 7.779 0.000 2.225) 8.091 3.464 ( -7.225 0.000 0.188) 7.228 3.596 ( 7.613 0.000 -0.524) 7.631 3.909 ( 4.869 0.000 3.976) 6.287 3.920 ( 5.988 0.000 -4.623) 7.565 3.980 ( 1.562 0.000 0.651) 1.692 4.009 ( 2.540 0.000 0.519) 2.592 4.255 ( -3.028 0.000 5.098) 5.929 4.471 ( -4.445 0.000 -0.574) 4.482 4.498 ( 1.131 0.000 0.442) 1.214 4.815 ( 1.512 0.000 4.024) 4.298 4.854 ( -3.358 0.000 -6.286) 7.127 4.983 ( 0.108 0.000 -0.127) 0.166 5.323 ( -5.339 0.000 0.241) 5.345 5.439 ( 3.481 0.000 1.397) 3.751 5.447 ( -1.943 0.000 -2.051) 2.826 5.791 ( 1.644 0.000 -3.751) 4.095 5.898 ( -2.099 0.000 2.376) 3.171 5.963 ( -8.642 0.000 -1.072) 8.708 5.966 ( -4.907 0.000 -0.401) 4.924 6.108 ( -1.118 0.000 0.662) 1.299 6.187 ( -3.630 0.000 -3.031) 4.729 6.486 ( 9.866 0.000 4.222) 10.731 6.921 ( 4.638 0.000 -3.907) 6.064 6.996 ( 3.801 0.000 -2.997) 4.840 7.033 ( 0.691 0.000 -6.254) 6.292 10.934 ( 0.745 0.000 1.288) 1.488 11.020 ( 0.100 0.000 -1.061) 1.065 11.136 ( 1.635 0.000 0.173) 1.644 11.289 ( -2.570 0.000 -0.056) 2.571 11.381 ( -2.758 0.000 0.465) 2.797 11.440 ( -3.403 0.000 -0.943) 3.531 11.499 ( 3.002 0.000 -4.780) 5.645 11.886 ( -1.659 0.000 -11.577) 11.695 12.625 ( 10.432 0.000 16.366) 19.408 13.508 ( -4.132 0.000 -1.242) 4.314 13.794 ( 0.469 0.000 0.480) 0.672 13.819 ( 0.203 0.000 0.271) 0.339 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.285 0.000 1.216) 1.249 1.025 ( 6.039 0.000 5.305) 8.038 1.125 ( -0.982 0.000 0.800) 1.267 1.141 ( -7.064 0.000 -6.699) 9.735 1.349 ( -0.990 0.000 -6.868) 6.939 1.393 ( 0.555 0.000 -5.407) 5.435 1.548 ( 0.173 0.000 2.534) 2.539 1.551 ( -2.917 0.000 -2.165) 3.632 1.753 ( -2.155 0.000 0.302) 2.176 1.785 ( -8.509 0.000 1.096) 8.579 2.063 ( -5.062 0.000 0.800) 5.125 2.201 ( 1.612 0.000 9.024) 9.167 2.217 ( -0.119 0.000 1.165) 1.171 2.285 ( -0.586 0.000 -0.625) 0.857 2.379 ( 12.248 0.000 12.114) 17.227 2.542 ( 4.368 0.000 1.351) 4.572 2.595 ( -3.554 0.000 -3.021) 4.665 2.642 ( 5.696 0.000 -6.718) 8.807 2.903 ( 0.099 0.000 5.758) 5.759 2.907 ( -2.435 0.000 -0.382) 2.464 3.212 ( 4.081 0.000 7.493) 8.532 3.257 ( 3.092 0.000 2.083) 3.728 3.376 ( -4.095 0.000 2.741) 4.928 3.486 ( 4.990 0.000 -0.004) 4.990 3.752 ( 7.437 0.000 2.439) 7.826 3.904 ( -3.057 0.000 -5.671) 6.443 3.908 ( -4.046 0.000 0.448) 4.070 4.050 ( 2.491 0.000 1.362) 2.839 4.117 ( 5.082 0.000 5.954) 7.828 4.255 ( -1.434 0.000 -0.688) 1.591 4.393 ( -2.773 0.000 0.967) 2.937 4.555 ( 4.247 0.000 1.352) 4.457 4.732 ( -3.167 0.000 -4.050) 5.141 4.823 ( -7.048 0.000 5.569) 8.983 4.978 ( 1.675 0.000 -2.567) 3.065 5.187 ( -6.150 0.000 -5.173) 8.036 5.429 ( 3.259 0.000 -2.462) 4.085 5.517 ( 4.173 0.000 0.070) 4.173 5.788 ( -9.205 0.000 -0.551) 9.222 5.804 ( 0.821 0.000 0.888) 1.210 5.882 ( -4.310 0.000 1.290) 4.499 5.887 ( -2.590 0.000 -0.446) 2.628 6.078 ( -1.471 0.000 -1.946) 2.439 6.124 ( -0.366 0.000 -0.977) 1.043 6.692 ( 7.973 0.000 3.606) 8.750 6.869 ( -0.933 0.000 -6.368) 6.436 7.024 ( 2.278 0.000 -1.444) 2.698 7.034 ( 3.935 0.000 -2.866) 4.868 10.965 ( 0.827 0.000 1.484) 1.699 11.011 ( 0.198 0.000 -0.753) 0.779 11.172 ( 1.924 0.000 0.483) 1.983 11.244 ( -1.927 0.000 -0.464) 1.983 11.334 ( -2.202 0.000 -0.895) 2.377 11.382 ( -2.275 0.000 -1.452) 2.700 11.494 ( 2.013 0.000 -3.306) 3.871 11.725 ( -3.079 0.000 -6.865) 7.523 12.971 ( 9.197 0.000 11.406) 14.652 13.421 ( -3.754 0.000 -1.521) 4.050 13.810 ( 0.522 0.000 0.510) 0.730 13.824 ( 0.072 0.000 0.199) 0.212 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -3.451 0.000 0.987) 3.590 0.952 ( -3.307 0.000 -4.174) 5.326 1.161 ( 2.922 0.000 1.524) 3.296 1.172 ( 2.049 0.000 0.748) 2.181 1.279 ( 0.790 0.000 -2.323) 2.454 1.334 ( -0.778 0.000 -2.232) 2.364 1.379 ( -9.883 0.000 -1.138) 9.949 1.643 ( 3.324 0.000 3.402) 4.756 1.738 ( 0.548 0.000 -0.404) 0.680 1.747 ( 1.753 0.000 0.860) 1.952 1.930 ( -6.708 0.000 -3.557) 7.592 2.219 ( -0.003 0.000 0.562) 0.562 2.309 ( 2.565 0.000 1.558) 3.001 2.356 ( 2.738 0.000 8.145) 8.593 2.453 ( -5.118 0.000 -3.399) 6.144 2.476 ( -0.871 0.000 -4.789) 4.867 2.709 ( 5.547 0.000 5.479) 7.796 2.799 ( 6.927 0.000 1.786) 7.153 2.840 ( -1.794 0.000 -4.549) 4.890 2.950 ( -0.194 0.000 2.171) 2.179 3.329 ( 2.286 0.000 2.288) 3.234 3.355 ( 2.197 0.000 2.667) 3.456 3.433 ( 5.255 0.000 6.950) 8.713 3.551 ( 2.977 0.000 -0.826) 3.090 3.714 ( -8.573 0.000 -6.544) 10.785 3.764 ( -4.854 0.000 0.663) 4.899 3.941 ( 3.001 0.000 2.428) 3.860 4.111 ( 1.897 0.000 0.816) 2.065 4.166 ( -2.426 0.000 -3.859) 4.558 4.227 ( 1.806 0.000 2.121) 2.785 4.419 ( 0.418 0.000 2.686) 2.718 4.649 ( 7.011 0.000 -2.718) 7.520 4.663 ( -0.601 0.000 -1.716) 1.819 4.739 ( -9.825 0.000 6.050) 11.538 4.998 ( 2.186 0.000 -0.419) 2.225 5.036 ( -3.591 0.000 -3.463) 4.989 5.490 ( 5.652 0.000 -1.268) 5.792 5.576 ( 2.384 0.000 -0.136) 2.388 5.639 ( -7.186 0.000 0.005) 7.186 5.777 ( -2.217 0.000 -0.396) 2.252 5.814 ( -2.185 0.000 -2.275) 3.154 5.907 ( 0.854 0.000 4.471) 4.552 6.016 ( -1.442 0.000 -3.498) 3.784 6.132 ( 0.559 0.000 0.387) 0.680 6.802 ( -0.388 0.000 -2.302) 2.335 6.824 ( 3.249 0.000 1.501) 3.579 7.036 ( 0.559 0.000 -0.560) 0.792 7.057 ( 1.404 0.000 -1.151) 1.815 10.991 ( 0.403 0.000 0.736) 0.840 11.008 ( 0.058 0.000 -0.199) 0.208 11.205 ( 1.059 0.000 0.268) 1.092 11.223 ( -0.164 0.000 -0.008) 0.164 11.294 ( -1.105 0.000 -0.473) 1.202 11.326 ( -1.581 0.000 -1.491) 2.173 11.489 ( 0.752 0.000 -1.364) 1.558 11.637 ( -1.044 0.000 -1.909) 2.176 13.179 ( 3.481 0.000 4.205) 5.458 13.359 ( -1.563 0.000 -0.669) 1.700 13.821 ( 0.237 0.000 0.223) 0.325 13.826 ( 0.003 0.000 0.071) 0.071 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 0.000 18.618 0.000) 18.618 0.476 ( 0.000 21.068 0.000) 21.068 0.809 ( 0.000 34.857 0.000) 34.857 1.181 ( 0.000 3.569 0.000) 3.569 1.503 ( 0.000 -3.732 0.000) 3.732 1.506 ( 0.000 -2.047 0.000) 2.047 1.584 ( 0.000 1.608 0.000) 1.608 1.679 ( 0.000 6.471 0.000) 6.471 1.809 ( 0.000 -1.100 0.000) 1.100 1.895 ( 0.000 -6.266 0.000) 6.266 1.946 ( 0.000 -4.585 0.000) 4.585 1.998 ( 0.000 -11.347 0.000) 11.347 2.219 ( 0.000 -2.458 0.000) 2.458 2.252 ( 0.000 -2.744 0.000) 2.744 2.443 ( 0.000 -2.191 0.000) 2.191 2.551 ( 0.000 4.280 0.000) 4.280 2.567 ( 0.000 4.739 0.000) 4.739 2.761 ( 0.000 14.433 0.000) 14.433 2.778 ( 0.000 -15.503 0.000) 15.503 2.969 ( 0.000 -3.613 0.000) 3.613 3.003 ( 0.000 1.994 0.000) 1.994 3.213 ( 0.000 4.814 0.000) 4.814 3.377 ( 0.000 3.043 0.000) 3.043 3.552 ( 0.000 0.670 0.000) 0.670 3.591 ( 0.000 2.284 0.000) 2.284 3.853 ( 0.000 6.725 0.000) 6.725 3.885 ( 0.000 -1.574 0.000) 1.574 3.909 ( 0.000 0.577 0.000) 0.577 4.036 ( 0.000 5.595 0.000) 5.595 4.152 ( 0.000 1.959 0.000) 1.959 4.471 ( 0.000 0.267 0.000) 0.267 4.473 ( 0.000 -0.590 0.000) 0.590 4.697 ( 0.000 2.633 0.000) 2.633 4.749 ( 0.000 2.114 0.000) 2.114 5.156 ( 0.000 -8.886 0.000) 8.886 5.261 ( 0.000 -4.167 0.000) 4.167 5.398 ( 0.000 3.155 0.000) 3.155 5.787 ( 0.000 -5.405 0.000) 5.405 5.938 ( 0.000 -0.241 0.000) 0.241 6.001 ( 0.000 -5.964 0.000) 5.964 6.004 ( 0.000 -3.299 0.000) 3.299 6.102 ( 0.000 -3.967 0.000) 3.967 6.131 ( 0.000 -2.098 0.000) 2.098 6.225 ( 0.000 7.742 0.000) 7.742 6.343 ( 0.000 -3.203 0.000) 3.203 6.542 ( 0.000 4.490 0.000) 4.490 6.870 ( 0.000 5.007 0.000) 5.007 7.113 ( 0.000 -2.486 0.000) 2.486 10.921 ( 0.000 1.498 0.000) 1.498 11.006 ( 0.000 -1.880 0.000) 1.880 11.115 ( 0.000 0.704 0.000) 0.704 11.294 ( 0.000 1.113 0.000) 1.113 11.475 ( 0.000 -0.753 0.000) 0.753 11.598 ( 0.000 -1.325 0.000) 1.325 11.598 ( 0.000 -4.610 0.000) 4.610 12.135 ( 0.000 -5.303 0.000) 5.303 12.168 ( 0.000 15.897 0.000) 15.897 13.463 ( 0.000 -3.519 0.000) 3.519 13.779 ( 0.000 -0.082 0.000) 0.082 13.810 ( 0.000 0.151 0.000) 0.151 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 4.687 16.351 9.520) 19.492 0.646 ( 9.652 11.924 12.775) 19.963 1.067 ( 18.294 20.364 9.030) 28.825 1.238 ( 7.024 2.186 -0.466) 7.371 1.408 ( -2.756 -2.907 -8.540) 9.433 1.480 ( -1.591 -2.413 -1.182) 3.123 1.557 ( 0.061 0.807 -3.792) 3.878 1.634 ( -5.606 3.449 2.552) 7.059 1.767 ( -3.738 -0.862 -0.921) 3.945 1.871 ( -5.414 -7.701 -1.086) 9.476 1.939 ( -0.803 -4.309 3.043) 5.336 2.000 ( -1.283 -2.915 2.414) 3.997 2.192 ( -2.534 -1.524 4.699) 5.552 2.295 ( -2.780 -1.993 0.585) 3.470 2.469 ( -0.503 -0.469 -1.746) 1.877 2.492 ( -0.281 -1.981 8.474) 8.707 2.649 ( -0.303 -2.361 1.955) 3.081 2.730 ( -3.966 9.425 -0.398) 10.233 2.802 ( 3.284 -7.263 -4.297) 9.055 2.906 ( -5.282 -3.834 1.574) 6.714 3.022 ( 1.103 1.763 0.483) 2.135 3.252 ( 4.380 6.720 -0.779) 8.059 3.355 ( -0.244 3.985 -1.257) 4.185 3.495 ( 0.218 0.950 -1.918) 2.151 3.586 ( -3.900 0.781 0.865) 4.070 3.885 ( 0.708 6.182 3.530) 7.154 3.896 ( 2.650 -2.668 -1.452) 4.031 3.966 ( 4.798 5.532 0.532) 7.342 4.038 ( 2.850 5.476 -1.809) 6.433 4.195 ( -1.698 -1.049 6.163) 6.478 4.483 ( 0.025 -0.376 1.437) 1.485 4.523 ( -0.552 -2.322 1.968) 3.093 4.692 ( 2.684 -0.489 -0.313) 2.746 4.828 ( 5.039 -0.190 0.101) 5.044 5.042 ( -8.685 -4.690 -1.664) 10.010 5.266 ( -0.421 -4.633 0.544) 4.684 5.361 ( -2.616 1.493 0.863) 3.134 5.760 ( -2.778 2.467 -7.732) 8.578 5.771 ( -5.040 0.591 1.312) 5.242 5.919 ( -1.674 -0.509 -0.625) 1.858 6.009 ( -2.069 -1.828 -0.662) 2.839 6.023 ( -2.626 -3.970 -1.121) 4.890 6.126 ( -1.749 -0.892 0.558) 2.041 6.278 ( -5.096 -2.204 -1.136) 5.667 6.309 ( 7.483 4.187 3.215) 9.158 6.832 ( 12.829 -5.324 0.412) 13.896 6.921 ( 6.310 4.787 -1.849) 8.134 7.083 ( -0.608 -2.190 -3.957) 4.563 10.924 ( 0.310 1.462 0.644) 1.627 11.029 ( 0.950 -1.000 0.142) 1.387 11.119 ( 0.829 0.584 -0.109) 1.020 11.297 ( -2.425 -3.383 0.833) 4.245 11.394 ( -3.706 2.936 -1.327) 4.911 11.508 ( 2.667 1.355 -3.348) 4.490 11.716 ( 1.374 4.585 -1.934) 5.163 11.982 ( 3.346 -1.948 -16.487) 16.935 12.328 ( -0.405 5.609 18.646) 19.475 13.455 ( -3.343 -7.654 1.711) 8.526 13.783 ( 0.210 -0.093 0.234) 0.328 13.812 ( 0.117 0.043 0.128) 0.179 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 6.420 9.535 10.178) 15.353 0.922 ( 7.852 9.287 6.245) 13.672 1.220 ( -4.753 -2.038 -4.981) 7.180 1.352 ( 7.936 -1.331 -4.011) 8.991 1.371 ( -4.532 0.819 -4.942) 6.756 1.442 ( 4.614 0.118 0.314) 4.626 1.472 ( -0.411 0.766 -4.574) 4.656 1.618 ( -5.859 -1.069 -2.177) 6.341 1.728 ( 1.959 -3.725 5.270) 6.744 1.797 ( -0.387 -0.946 3.429) 3.578 1.964 ( -2.652 -6.302 4.296) 8.075 2.050 ( 3.031 5.147 8.711) 10.562 2.207 ( -2.278 -7.143 -1.952) 7.747 2.230 ( -2.739 5.776 4.485) 7.809 2.441 ( -2.246 -0.686 -1.590) 2.836 2.477 ( -5.495 0.518 -3.529) 6.551 2.583 ( -1.390 -3.529 -0.161) 3.797 2.713 ( -0.947 2.076 -3.389) 4.085 2.794 ( -2.455 -2.660 9.326) 10.005 2.961 ( 1.487 -0.130 9.323) 9.441 3.043 ( 2.525 0.425 -0.696) 2.653 3.274 ( -1.040 4.394 0.553) 4.549 3.394 ( 3.892 1.572 0.487) 4.225 3.470 ( -4.373 -0.221 0.595) 4.418 3.571 ( 5.853 0.294 -1.031) 5.950 3.907 ( 0.161 -1.929 -0.203) 1.946 3.955 ( 1.450 3.050 1.476) 3.686 4.070 ( 6.979 7.956 -1.843) 10.742 4.089 ( 1.706 4.836 2.123) 5.550 4.200 ( -4.463 -3.952 5.453) 8.079 4.472 ( -5.725 -1.796 1.018) 6.085 4.489 ( -0.372 -0.988 -0.552) 1.192 4.738 ( 1.866 -4.724 -0.685) 5.125 4.853 ( -3.363 -0.544 2.753) 4.381 4.963 ( 1.433 -0.445 -1.226) 1.938 5.227 ( -2.931 -5.224 -1.833) 6.264 5.369 ( 1.847 -0.186 0.451) 1.910 5.656 ( -1.172 7.820 -4.210) 8.959 5.740 ( -1.043 -4.860 -0.365) 4.984 5.874 ( -2.925 -1.575 0.208) 3.328 5.925 ( -5.516 -2.170 -2.436) 6.409 5.976 ( -1.180 0.958 0.562) 1.621 6.105 ( -1.037 -0.658 -0.476) 1.318 6.180 ( -2.903 -0.650 -2.727) 4.035 6.514 ( 9.206 2.803 5.438) 11.054 6.955 ( 4.262 -0.248 -3.582) 5.573 7.004 ( 4.807 4.112 -2.534) 6.815 7.016 ( 2.127 -1.583 -5.429) 6.042 10.948 ( 1.119 1.574 1.155) 2.251 11.030 ( 0.036 0.315 -0.972) 1.022 11.142 ( 2.057 0.636 -0.428) 2.195 11.230 ( -3.397 -3.570 -0.601) 4.964 11.384 ( 0.731 3.922 0.217) 3.995 11.522 ( 2.521 2.440 -2.338) 4.216 11.638 ( -3.942 10.027 -4.768) 11.782 11.854 ( -0.491 -2.688 -9.871) 10.242 12.599 ( 6.496 -1.919 16.078) 17.447 13.388 ( -5.095 -9.809 -0.199) 11.055 13.792 ( 0.308 -0.227 0.485) 0.618 13.816 ( 0.029 -0.244 0.174) 0.301 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -2.395 5.783 0.582) 6.287 1.032 ( 1.780 1.693 4.309) 4.960 1.143 ( -2.765 1.292 -3.257) 4.463 1.210 ( -1.760 4.907 -1.872) 5.539 1.346 ( 0.500 -0.477 -5.808) 5.849 1.389 ( -0.981 -0.357 -2.968) 3.146 1.527 ( -0.322 -2.009 -2.530) 3.246 1.545 ( 2.527 -1.184 1.699) 3.267 1.738 ( -1.671 -1.882 0.261) 2.530 1.748 ( -9.140 -2.100 0.497) 9.391 1.999 ( -0.575 -6.034 2.193) 6.446 2.141 ( -2.332 -6.488 -0.824) 6.943 2.221 ( -0.803 2.910 0.740) 3.108 2.276 ( 2.839 -0.149 8.219) 8.697 2.374 ( 1.639 0.543 1.300) 2.161 2.535 ( 1.436 -3.168 0.699) 3.548 2.553 ( 4.879 -0.403 3.311) 5.910 2.678 ( 4.163 2.904 -4.748) 6.951 2.875 ( -1.765 -0.862 5.471) 5.813 2.982 ( -1.481 3.325 1.390) 3.896 3.185 ( 5.735 -4.671 5.846) 9.428 3.278 ( 0.220 2.443 2.001) 3.166 3.384 ( -2.966 2.073 1.176) 3.805 3.501 ( 3.398 0.171 2.473) 4.206 3.706 ( 6.908 -3.462 2.530) 8.130 3.858 ( -6.171 -1.379 -0.965) 6.397 3.915 ( -4.466 0.016 -3.105) 5.439 4.090 ( -1.035 -1.227 4.319) 4.608 4.170 ( 2.078 3.536 2.916) 5.032 4.247 ( 1.738 0.798 2.628) 3.250 4.378 ( -5.235 -1.960 -0.001) 5.590 4.459 ( -0.191 -3.511 -3.129) 4.707 4.773 ( -2.976 -3.886 3.805) 6.199 4.820 ( -0.889 3.464 2.809) 4.548 4.974 ( 2.851 1.622 -3.730) 4.968 5.145 ( -1.594 -2.255 -4.894) 5.619 5.411 ( 2.022 -0.105 0.818) 2.184 5.593 ( 0.674 2.344 -5.613) 6.120 5.712 ( -3.889 -3.651 2.275) 5.799 5.815 ( -2.536 -0.429 -3.271) 4.161 5.852 ( -0.507 0.054 2.211) 2.269 5.960 ( -2.588 3.467 -0.402) 4.346 6.067 ( -1.051 -0.948 -2.661) 3.014 6.129 ( -0.094 0.461 -0.979) 1.086 6.725 ( 7.520 2.559 4.864) 9.314 6.903 ( -0.727 2.439 -4.292) 4.990 7.027 ( 2.816 -0.192 -2.351) 3.673 7.055 ( 4.079 2.962 -3.676) 6.239 10.984 ( 1.714 1.474 0.321) 2.283 11.018 ( -0.427 0.946 0.038) 1.039 11.176 ( 2.141 0.465 -0.188) 2.199 11.187 ( -0.771 -1.727 -0.489) 1.953 11.391 ( 0.053 3.805 -0.870) 3.904 11.508 ( -3.182 7.358 -4.947) 9.420 11.534 ( 0.921 3.900 -1.101) 4.156 11.733 ( -2.861 1.573 -4.782) 5.790 12.887 ( 6.890 -7.447 11.101) 15.039 13.292 ( -4.679 -11.219 -0.975) 12.194 13.805 ( 0.426 -0.391 0.563) 0.807 13.817 ( -0.098 -0.579 0.144) 0.604 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -3.614 3.617 0.632) 5.152 0.958 ( -3.152 0.866 -4.065) 5.216 1.186 ( 4.034 2.227 2.644) 5.313 1.210 ( 0.945 3.692 -0.334) 3.826 1.317 ( 1.305 2.126 -2.505) 3.535 1.343 ( -1.031 0.775 -1.353) 1.869 1.397 ( -9.133 1.654 -0.977) 9.333 1.630 ( 2.568 -1.773 2.637) 4.085 1.695 ( 0.886 -3.293 0.234) 3.418 1.734 ( 2.159 -1.284 0.984) 2.698 1.910 ( -6.327 -2.491 -3.609) 7.698 2.122 ( -0.541 -7.475 0.637) 7.521 2.251 ( 3.063 -2.844 0.583) 4.220 2.336 ( -3.764 -3.519 -1.432) 5.348 2.412 ( 3.622 2.188 5.961) 7.310 2.566 ( -1.501 4.471 -4.047) 6.215 2.667 ( 5.712 -2.966 4.923) 8.103 2.765 ( 3.105 -2.666 -1.582) 4.387 2.848 ( -0.119 -0.007 -1.684) 1.688 3.004 ( -0.731 1.484 2.789) 3.242 3.303 ( 1.779 -5.406 1.915) 6.005 3.320 ( 1.180 -1.535 1.356) 2.364 3.418 ( 2.290 0.071 5.340) 5.810 3.546 ( 1.128 -4.399 -3.647) 5.825 3.678 ( -7.586 -0.981 0.231) 7.653 3.841 ( 2.287 0.701 0.459) 2.435 3.854 ( -1.033 2.491 3.312) 4.271 4.100 ( -1.376 -2.710 -2.204) 3.754 4.220 ( -2.033 1.336 3.654) 4.390 4.248 ( 2.134 4.090 -2.032) 5.041 4.363 ( -0.182 -10.674 3.333) 11.184 4.425 ( 0.339 -2.071 -2.274) 3.095 4.684 ( -5.555 -2.204 0.390) 5.989 4.908 ( 4.102 8.944 -0.231) 9.842 4.994 ( 0.916 0.627 2.698) 2.917 5.061 ( -1.683 1.329 -4.192) 4.709 5.456 ( 1.927 -1.157 0.703) 2.355 5.544 ( -0.917 -4.900 -2.451) 5.555 5.677 ( -1.415 3.432 0.433) 3.737 5.777 ( 1.240 0.433 -0.984) 1.641 5.874 ( -3.827 3.759 -2.222) 5.806 5.900 ( 0.926 -0.555 3.531) 3.692 6.009 ( -1.133 -0.311 -3.277) 3.481 6.134 ( 0.398 0.137 0.012) 0.421 6.862 ( 1.579 3.526 1.580) 4.174 6.875 ( 1.790 5.529 0.072) 5.812 7.031 ( 0.430 -0.540 -1.212) 1.395 7.063 ( 1.267 1.106 -2.157) 2.735 10.997 ( 0.456 -0.375 -0.799) 0.993 11.028 ( 0.172 3.096 1.111) 3.294 11.183 ( 0.240 -0.835 0.213) 0.895 11.207 ( 1.284 0.640 -0.191) 1.447 11.359 ( -0.880 2.654 -1.893) 3.377 11.432 ( -1.506 8.369 -0.826) 8.544 11.536 ( 0.525 4.381 -0.702) 4.468 11.659 ( -1.257 2.427 -1.296) 3.025 13.067 ( 2.808 -10.056 4.038) 11.194 13.222 ( -1.993 -12.228 -0.518) 12.401 13.816 ( 0.193 -0.579 0.148) 0.628 13.817 ( -0.047 -0.675 0.167) 0.697 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 16.008 0.000) 16.008 0.883 ( 0.000 16.639 0.000) 16.639 1.245 ( 0.000 1.452 0.000) 1.452 1.373 ( 0.000 13.947 0.000) 13.947 1.409 ( 0.000 -4.209 0.000) 4.209 1.420 ( 0.000 -5.401 0.000) 5.401 1.621 ( 0.000 -6.157 0.000) 6.157 1.656 ( 0.000 4.466 0.000) 4.466 1.763 ( 0.000 -2.737 0.000) 2.737 1.826 ( 0.000 -3.386 0.000) 3.386 1.851 ( 0.000 -3.942 0.000) 3.942 1.953 ( 0.000 4.797 0.000) 4.797 2.112 ( 0.000 -8.818 0.000) 8.818 2.158 ( 0.000 -5.641 0.000) 5.641 2.444 ( 0.000 4.298 0.000) 4.298 2.560 ( 0.000 -0.373 0.000) 0.373 2.656 ( 0.000 4.467 0.000) 4.467 2.674 ( 0.000 4.678 0.000) 4.678 2.878 ( 0.000 -4.241 0.000) 4.241 2.989 ( 0.000 6.272 0.000) 6.272 3.106 ( 0.000 7.211 0.000) 7.211 3.306 ( 0.000 0.861 0.000) 0.861 3.429 ( 0.000 4.902 0.000) 4.902 3.573 ( 0.000 1.966 0.000) 1.966 3.668 ( 0.000 4.898 0.000) 4.898 3.759 ( 0.000 -8.157 0.000) 8.157 4.017 ( 0.000 7.214 0.000) 7.214 4.028 ( 0.000 6.981 0.000) 6.981 4.145 ( 0.000 4.937 0.000) 4.937 4.176 ( 0.000 0.244 0.000) 0.244 4.451 ( 0.000 -2.503 0.000) 2.503 4.452 ( 0.000 -0.899 0.000) 0.899 4.753 ( 0.000 1.264 0.000) 1.264 4.805 ( 0.000 0.963 0.000) 0.963 4.946 ( 0.000 -8.524 0.000) 8.524 5.153 ( 0.000 -5.685 0.000) 5.685 5.453 ( 0.000 1.964 0.000) 1.964 5.601 ( 0.000 -9.359 0.000) 9.359 5.888 ( 0.000 -1.403 0.000) 1.403 5.925 ( 0.000 -3.553 0.000) 3.553 5.962 ( 0.000 -0.389 0.000) 0.389 6.030 ( 0.000 -2.406 0.000) 2.406 6.070 ( 0.000 -3.444 0.000) 3.444 6.248 ( 0.000 -5.446 0.000) 5.446 6.434 ( 0.000 10.835 0.000) 10.835 6.662 ( 0.000 6.259 0.000) 6.259 6.950 ( 0.000 1.872 0.000) 1.872 7.034 ( 0.000 -4.825 0.000) 4.825 10.960 ( 0.000 1.850 0.000) 1.850 10.983 ( 0.000 -0.103 0.000) 0.103 11.138 ( 0.000 1.430 0.000) 1.430 11.288 ( 0.000 -1.930 0.000) 1.930 11.444 ( 0.000 -0.747 0.000) 0.747 11.559 ( 0.000 -2.261 0.000) 2.261 11.583 ( 0.000 2.151 0.000) 2.151 11.983 ( 0.000 -8.290 0.000) 8.290 12.533 ( 0.000 17.304 0.000) 17.304 13.350 ( 0.000 -7.049 0.000) 7.049 13.779 ( 0.000 0.157 0.000) 0.157 13.811 ( 0.000 -0.208 0.000) 0.208 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 5.913 10.741 5.356) 13.380 0.935 ( 1.145 14.886 6.968) 16.476 1.252 ( 1.170 -1.124 -2.017) 2.589 1.341 ( -0.818 -1.619 -6.804) 7.042 1.385 ( -0.666 -1.567 -2.411) 2.951 1.457 ( 6.093 5.142 1.436) 8.101 1.557 ( -2.271 -3.147 -4.408) 5.873 1.647 ( -2.301 1.314 -1.231) 2.922 1.718 ( -3.929 -2.487 -1.999) 5.061 1.795 ( -5.523 -2.712 3.201) 6.936 1.824 ( -0.826 -3.870 1.209) 4.138 2.028 ( 4.948 4.270 2.831) 7.123 2.103 ( -0.397 -7.579 -0.108) 7.591 2.262 ( 0.017 -0.344 11.949) 11.954 2.455 ( 0.967 1.542 0.562) 1.905 2.538 ( -1.666 5.725 -0.836) 6.021 2.633 ( -1.717 2.273 4.905) 5.672 2.705 ( 0.514 -0.078 -3.946) 3.980 2.825 ( -4.351 -2.534 -0.914) 5.118 2.946 ( -5.584 7.090 1.942) 9.231 3.082 ( -1.480 3.882 1.496) 4.416 3.315 ( -0.120 -1.948 -0.408) 1.994 3.430 ( 1.002 5.280 -0.447) 5.393 3.553 ( -1.410 3.431 -1.872) 4.155 3.630 ( -3.735 3.456 0.826) 5.156 3.787 ( 2.040 -6.636 1.214) 7.048 4.005 ( -2.980 4.432 6.622) 8.508 4.110 ( 3.334 1.985 -1.275) 4.084 4.147 ( 1.661 4.853 1.048) 5.235 4.176 ( -1.026 2.024 0.757) 2.392 4.441 ( -1.546 -3.611 0.117) 3.930 4.478 ( 1.226 -0.215 1.080) 1.648 4.706 ( -2.819 0.100 -0.953) 2.977 4.815 ( -1.212 -4.776 0.663) 4.972 4.955 ( 3.398 -0.021 -1.535) 3.729 5.154 ( -0.563 -5.773 -0.114) 5.801 5.397 ( -2.458 1.596 -1.729) 3.403 5.613 ( 0.097 -6.806 0.623) 6.835 5.842 ( -4.205 0.410 -0.360) 4.240 5.889 ( 0.495 -1.550 -4.322) 4.618 5.961 ( -1.018 -1.145 -0.664) 1.670 5.991 ( -1.159 -0.542 -0.901) 1.565 6.086 ( -0.083 -2.570 0.990) 2.756 6.207 ( -2.937 -4.157 -0.736) 5.143 6.463 ( 4.150 9.163 1.086) 10.117 6.814 ( 10.863 2.325 1.432) 11.201 6.989 ( 4.787 -0.948 -4.585) 6.696 7.029 ( 1.455 -0.966 0.021) 1.747 10.966 ( 0.610 2.172 0.741) 2.375 11.011 ( 1.509 -0.250 0.966) 1.809 11.141 ( 1.048 1.414 -0.542) 1.842 11.245 ( -3.106 -1.753 -0.890) 3.675 11.443 ( 1.047 1.653 -0.584) 2.042 11.551 ( 2.937 2.427 -2.761) 4.705 11.705 ( 9.450 -3.493 -0.204) 10.077 11.899 ( -2.014 -5.663 -9.641) 11.361 12.545 ( -5.948 13.198 10.479) 17.871 13.290 ( -7.214 -8.155 1.105) 10.944 13.782 ( 0.086 0.094 0.289) 0.316 13.811 ( -0.058 -0.256 0.055) 0.268 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 1.335 10.694 8.407) 13.668 1.071 ( 5.013 3.696 5.886) 8.569 1.178 ( -3.027 -1.408 -3.325) 4.712 1.316 ( 4.517 -1.445 -5.426) 7.206 1.363 ( 0.206 -0.335 -1.859) 1.900 1.456 ( -3.875 -1.546 -3.183) 5.248 1.462 ( -0.137 0.964 -8.686) 8.740 1.572 ( -4.477 -2.973 -3.626) 6.483 1.665 ( 2.543 -1.669 1.138) 3.248 1.764 ( -2.168 -2.849 2.992) 4.665 1.844 ( -1.696 -5.251 4.486) 7.111 2.043 ( -0.205 -7.795 -4.691) 9.100 2.218 ( 3.318 9.116 9.548) 13.612 2.336 ( -1.595 4.300 2.616) 5.280 2.462 ( -4.323 0.149 1.289) 4.514 2.490 ( -1.693 6.112 1.058) 6.430 2.564 ( -6.452 0.070 -3.577) 7.378 2.748 ( 1.194 0.572 6.510) 6.644 2.768 ( -2.193 1.724 5.014) 5.738 2.929 ( -0.101 -0.287 5.941) 5.949 3.084 ( -1.008 1.655 -0.369) 1.973 3.296 ( 0.269 -3.243 -1.628) 3.638 3.449 ( -0.375 3.183 3.419) 4.686 3.490 ( -3.692 2.795 0.397) 4.648 3.599 ( -0.773 0.782 0.184) 1.115 3.832 ( 1.680 -4.720 -0.521) 5.037 4.028 ( -10.344 -8.454 -0.150) 13.360 4.045 ( -2.011 2.029 4.602) 5.417 4.151 ( -0.966 0.749 4.190) 4.364 4.227 ( 0.042 4.331 2.988) 5.262 4.425 ( 1.281 1.219 -1.310) 2.201 4.504 ( -0.179 1.268 -0.209) 1.297 4.653 ( -2.385 -4.295 1.537) 5.148 4.816 ( 0.281 -2.053 1.682) 2.669 5.002 ( 4.349 2.719 -2.970) 5.927 5.138 ( 1.090 -2.804 -2.474) 3.895 5.378 ( 0.737 1.082 0.756) 1.512 5.610 ( -2.788 -5.919 2.476) 6.995 5.754 ( -1.248 1.940 -6.211) 6.625 5.851 ( -0.878 -0.605 -1.237) 1.633 5.904 ( -1.267 -0.167 -4.407) 4.589 6.005 ( 1.639 1.944 1.547) 2.976 6.074 ( -0.367 -2.326 -1.958) 3.063 6.160 ( -0.629 -1.222 -2.182) 2.579 6.600 ( 6.773 5.092 4.911) 9.794 6.954 ( 2.084 -3.865 -3.797) 5.805 6.982 ( 6.035 3.222 -1.931) 7.109 7.101 ( 6.255 3.335 -2.889) 7.655 10.996 ( 1.227 2.453 1.007) 2.922 11.034 ( 0.712 0.420 -0.015) 0.827 11.165 ( 2.469 1.461 -1.022) 3.045 11.199 ( -0.110 0.479 -1.416) 1.499 11.455 ( 1.303 2.156 -0.995) 2.709 11.591 ( 3.991 3.647 -1.141) 5.526 11.726 ( -2.077 -3.450 -10.976) 11.691 11.835 ( 5.426 1.668 -1.956) 6.004 12.588 ( -5.482 2.181 13.767) 14.978 13.151 ( -9.872 -11.385 0.906) 15.096 13.788 ( 0.018 -0.068 0.506) 0.511 13.808 ( -0.307 -0.431 0.070) 0.534 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -3.424 2.683 -2.527) 5.030 1.149 ( -4.612 4.989 -1.665) 6.995 1.167 ( 0.436 3.264 3.042) 4.483 1.258 ( -1.136 -1.110 -2.049) 2.592 1.348 ( 2.151 0.846 -3.137) 3.896 1.382 ( 0.072 -0.643 0.129) 0.660 1.464 ( 5.826 -1.863 -2.241) 6.515 1.524 ( 2.037 0.002 -0.726) 2.162 1.689 ( -2.718 -3.316 1.945) 4.708 1.714 ( -6.667 -0.469 -0.747) 6.725 1.873 ( 0.600 -5.512 1.444) 5.729 1.978 ( -1.950 -7.602 -2.666) 8.289 2.285 ( -1.930 3.635 0.032) 4.116 2.311 ( -0.725 3.029 0.394) 3.140 2.422 ( -0.954 3.340 0.688) 3.541 2.479 ( -0.181 -1.699 2.362) 2.915 2.543 ( 3.536 0.617 3.729) 5.176 2.770 ( 0.772 4.838 -1.422) 5.101 2.848 ( -2.383 -1.444 7.255) 7.772 3.000 ( -3.342 -3.935 -1.244) 5.310 3.064 ( 0.603 -3.191 6.295) 7.083 3.289 ( 0.469 -2.574 -1.035) 2.814 3.438 ( -3.061 -0.414 0.017) 3.089 3.498 ( -1.686 -1.029 2.915) 3.521 3.611 ( -1.211 -3.335 4.200) 5.497 3.775 ( -6.129 -5.046 4.032) 8.904 3.924 ( 0.564 1.146 0.107) 1.282 4.073 ( -2.907 -3.069 6.626) 7.860 4.183 ( -0.465 0.979 2.412) 2.645 4.243 ( -1.766 2.004 3.247) 4.205 4.392 ( -3.618 2.047 -3.752) 5.600 4.460 ( -0.563 -0.555 -2.711) 2.824 4.679 ( 0.574 -0.867 2.981) 3.157 4.880 ( 2.732 0.624 4.973) 5.708 5.028 ( 3.684 2.255 -3.919) 5.832 5.124 ( 1.416 0.226 -3.931) 4.184 5.420 ( 0.912 0.743 2.840) 3.074 5.539 ( -5.827 -4.379 -1.830) 7.515 5.709 ( 2.322 1.446 -2.119) 3.460 5.801 ( 0.976 -0.898 -7.408) 7.526 5.866 ( 0.211 1.226 0.682) 1.419 6.017 ( -1.437 0.736 -3.073) 3.471 6.048 ( 0.528 0.167 -1.461) 1.563 6.136 ( 0.479 -0.039 -1.169) 1.264 6.777 ( 5.722 2.320 5.407) 8.207 6.948 ( 1.294 -0.229 0.981) 1.640 7.040 ( 4.234 3.514 -4.700) 7.236 7.145 ( 3.764 4.039 -4.462) 7.099 11.011 ( 0.677 1.396 -1.040) 1.868 11.060 ( 0.946 1.948 1.797) 2.814 11.181 ( 1.025 1.296 -0.784) 1.829 11.216 ( 4.046 3.111 -2.343) 5.616 11.451 ( 0.225 1.405 -3.038) 3.355 11.599 ( 0.144 1.184 -4.361) 4.521 11.645 ( 2.294 6.331 -0.185) 6.736 11.834 ( -2.063 6.670 -2.265) 7.340 12.687 ( -0.678 -9.939 10.428) 14.422 12.992 ( -8.864 -15.464 0.155) 17.825 13.796 ( 0.126 -0.404 0.553) 0.696 13.803 ( -0.422 -0.678 0.076) 0.802 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -1.002 4.426 -2.260) 5.069 1.001 ( -4.243 2.997 -2.356) 5.704 1.220 ( -0.178 0.215 2.199) 2.217 1.273 ( 5.050 0.922 -0.650) 5.174 1.372 ( 1.096 2.616 1.281) 3.112 1.386 ( -0.186 4.655 -2.706) 5.388 1.447 ( -5.711 2.757 -0.631) 6.373 1.567 ( -0.170 -2.924 1.134) 3.141 1.633 ( 1.118 -1.691 0.516) 2.092 1.691 ( 1.419 -2.812 2.152) 3.815 1.830 ( -3.424 -4.215 -4.016) 6.754 1.946 ( -0.657 -8.300 0.988) 8.385 2.244 ( -0.323 2.670 -1.861) 3.270 2.322 ( -1.047 1.223 0.689) 1.751 2.457 ( 4.049 1.802 2.986) 5.344 2.584 ( 5.278 -4.223 2.575) 7.233 2.645 ( 3.495 0.176 0.552) 3.543 2.718 ( -2.898 -0.017 -3.916) 4.871 2.832 ( -2.612 -1.187 -0.117) 2.871 2.932 ( -4.842 -7.896 3.245) 9.814 3.095 ( -1.713 -11.135 1.172) 11.327 3.287 ( 0.061 -2.866 -0.220) 2.875 3.393 ( -1.568 -3.974 0.764) 4.339 3.428 ( -3.132 -5.477 -2.723) 6.872 3.637 ( -0.054 0.260 2.760) 2.773 3.862 ( 0.788 1.796 7.958) 8.196 3.972 ( 4.510 5.548 1.057) 7.227 4.107 ( -0.593 -2.591 2.354) 3.551 4.182 ( -2.318 0.704 -1.088) 2.656 4.218 ( -2.996 0.246 -1.271) 3.264 4.313 ( -1.374 0.103 5.223) 5.402 4.399 ( -0.787 -0.681 -6.203) 6.290 4.718 ( 0.528 5.053 1.443) 5.281 4.995 ( 1.529 -0.318 6.013) 6.212 5.036 ( 2.711 1.881 -3.782) 5.020 5.096 ( -0.093 2.080 -2.688) 3.400 5.429 ( -2.655 -3.296 -0.857) 4.318 5.453 ( -0.510 -0.991 0.205) 1.133 5.718 ( 1.038 0.509 -2.326) 2.597 5.781 ( 2.871 -0.318 -0.760) 2.987 5.891 ( 0.473 0.107 1.418) 1.498 5.933 ( -2.123 1.204 -3.843) 4.553 6.026 ( -0.682 2.138 -0.889) 2.414 6.134 ( 0.194 -0.281 -0.562) 0.657 6.912 ( 2.721 1.442 5.299) 6.129 7.005 ( 0.588 -1.473 -2.157) 2.677 7.030 ( 1.810 7.428 0.808) 7.688 7.125 ( 0.581 4.034 -4.541) 6.101 11.008 ( 0.242 1.576 -0.541) 1.684 11.091 ( 0.289 1.650 1.205) 2.064 11.190 ( 1.033 1.177 -0.806) 1.761 11.252 ( 2.034 3.183 -1.482) 4.058 11.413 ( -0.074 3.324 -1.326) 3.580 11.594 ( 0.504 5.872 -0.174) 5.896 11.673 ( 1.642 8.273 -0.783) 8.470 11.757 ( -3.448 6.516 -0.367) 7.381 12.781 ( 0.965 -15.643 3.657) 16.094 12.875 ( -4.116 -18.817 -0.050) 19.261 13.797 ( -0.178 -0.848 0.013) 0.866 13.803 ( 0.065 -0.708 0.269) 0.760 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 10.635 0.000) 10.635 1.180 ( 0.000 11.149 0.000) 11.149 1.224 ( 0.000 -3.558 0.000) 3.558 1.328 ( 0.000 -3.360 0.000) 3.360 1.337 ( 0.000 -1.227 0.000) 1.227 1.422 ( 0.000 -6.542 0.000) 6.542 1.587 ( 0.000 3.410 0.000) 3.410 1.698 ( 0.000 0.668 0.000) 0.668 1.715 ( 0.000 -2.755 0.000) 2.755 1.791 ( 0.000 -1.001 0.000) 1.001 1.798 ( 0.000 0.820 0.000) 0.820 1.887 ( 0.000 -9.839 0.000) 9.839 2.008 ( 0.000 0.773 0.000) 0.773 2.045 ( 0.000 -3.736 0.000) 3.736 2.582 ( 0.000 6.563 0.000) 6.563 2.674 ( 0.000 -0.652 0.000) 0.652 2.752 ( 0.000 2.461 0.000) 2.461 2.769 ( 0.000 3.754 0.000) 3.754 2.858 ( 0.000 10.129 0.000) 10.129 3.053 ( 0.000 -1.475 0.000) 1.475 3.228 ( 0.000 3.161 0.000) 3.161 3.276 ( 0.000 -2.228 0.000) 2.228 3.484 ( 0.000 0.243 0.000) 0.243 3.559 ( 0.000 -8.362 0.000) 8.362 3.704 ( 0.000 8.005 0.000) 8.005 3.770 ( 0.000 2.527 0.000) 2.527 4.118 ( 0.000 2.373 0.000) 2.373 4.144 ( 0.000 0.765 0.000) 0.765 4.202 ( 0.000 3.810 0.000) 3.810 4.221 ( 0.000 1.017 0.000) 1.017 4.397 ( 0.000 0.444 0.000) 0.444 4.467 ( 0.000 1.077 0.000) 1.077 4.654 ( 0.000 -7.612 0.000) 7.612 4.698 ( 0.000 -5.998 0.000) 5.998 4.946 ( 0.000 3.732 0.000) 3.732 5.034 ( 0.000 -4.802 0.000) 4.802 5.480 ( 0.000 0.529 0.000) 0.529 5.489 ( 0.000 -1.359 0.000) 1.359 5.872 ( 0.000 -1.019 0.000) 1.019 5.875 ( 0.000 -0.548 0.000) 0.548 5.948 ( 0.000 0.345 0.000) 0.345 5.994 ( 0.000 -3.309 0.000) 3.309 6.035 ( 0.000 2.672 0.000) 2.672 6.126 ( 0.000 -5.441 0.000) 5.441 6.658 ( 0.000 9.419 0.000) 9.419 6.771 ( 0.000 1.649 0.000) 1.649 6.926 ( 0.000 -3.472 0.000) 3.472 6.944 ( 0.000 -2.122 0.000) 2.122 10.990 ( 0.000 0.807 0.000) 0.807 10.992 ( 0.000 0.520 0.000) 0.520 11.176 ( 0.000 2.175 0.000) 2.175 11.231 ( 0.000 -2.858 0.000) 2.858 11.458 ( 0.000 1.731 0.000) 1.731 11.506 ( 0.000 -2.534 0.000) 2.534 11.662 ( 0.000 5.195 0.000) 5.195 11.804 ( 0.000 -7.894 0.000) 7.894 12.882 ( 0.000 14.856 0.000) 14.856 13.159 ( 0.000 -10.921 0.000) 10.921 13.787 ( 0.000 0.571 0.000) 0.571 13.801 ( 0.000 -0.639 0.000) 0.639 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 1.327 7.398 -1.462) 7.657 1.185 ( -1.335 3.564 -1.049) 3.948 1.197 ( 0.018 1.917 -0.633) 2.019 1.334 ( 1.645 -2.081 -1.810) 3.211 1.337 ( 1.351 0.564 0.148) 1.472 1.414 ( 2.756 -7.295 -4.256) 8.884 1.531 ( -3.376 2.965 -1.218) 4.655 1.656 ( -2.247 -5.125 -1.382) 5.764 1.667 ( -4.076 0.958 0.685) 4.243 1.729 ( -3.577 -0.810 -2.628) 4.511 1.809 ( 0.287 1.147 -2.979) 3.205 1.899 ( 1.170 -7.794 -1.936) 8.116 2.129 ( 5.385 3.384 11.539) 13.176 2.209 ( 4.182 -4.000 14.827) 15.916 2.558 ( -2.322 5.982 -0.635) 6.448 2.659 ( -3.237 -2.989 -0.005) 4.406 2.728 ( -1.738 3.306 -0.580) 3.780 2.763 ( -1.176 3.390 1.683) 3.964 2.842 ( -0.481 12.087 -0.968) 12.135 3.034 ( -4.102 -0.194 1.952) 4.547 3.163 ( -4.747 2.693 -1.441) 5.645 3.240 ( -2.496 -5.000 -0.966) 5.671 3.504 ( -0.848 1.706 1.844) 2.652 3.574 ( -3.365 -5.585 3.853) 7.574 3.672 ( -1.657 6.053 -1.559) 6.467 3.753 ( -1.230 1.760 0.033) 2.148 4.017 ( -10.322 -2.345 4.285) 11.420 4.047 ( -9.841 -4.895 2.280) 11.225 4.214 ( 0.870 4.710 1.195) 4.937 4.278 ( 1.538 0.301 1.247) 2.003 4.433 ( 2.064 4.282 -0.356) 4.767 4.496 ( 3.080 1.398 -0.003) 3.383 4.639 ( -2.331 -4.319 -1.377) 5.098 4.687 ( 2.968 -6.110 -2.170) 7.131 4.988 ( 4.847 2.359 -1.027) 5.487 5.052 ( 2.623 -3.555 -0.330) 4.430 5.443 ( -1.662 2.884 -0.652) 3.391 5.511 ( -0.317 -3.412 0.945) 3.554 5.842 ( -0.229 0.351 -3.273) 3.300 5.863 ( 0.663 -1.158 -3.007) 3.290 5.951 ( -0.774 0.868 -0.362) 1.218 5.994 ( 0.183 -1.374 0.083) 1.388 6.043 ( 0.021 0.801 1.265) 1.497 6.112 ( -0.595 -4.345 0.516) 4.416 6.665 ( 2.699 9.099 -1.558) 9.618 6.825 ( 4.684 -4.553 -2.337) 6.938 6.954 ( 5.075 1.989 0.011) 5.451 7.015 ( 6.232 -2.031 0.374) 6.566 11.004 ( 1.017 1.174 1.035) 1.866 11.014 ( 1.141 0.139 1.210) 1.669 11.177 ( 1.181 1.832 -0.937) 2.372 11.213 ( -0.375 -1.454 -1.059) 1.837 11.486 ( 3.032 2.890 -1.134) 4.339 11.564 ( 6.034 -3.165 -1.911) 7.077 11.666 ( 2.757 2.555 -1.907) 4.214 11.768 ( -0.012 -5.974 -4.346) 7.388 12.836 ( -8.960 13.160 5.250) 16.764 13.091 ( -9.183 -10.578 2.333) 14.201 13.789 ( -0.028 0.493 0.246) 0.552 13.801 ( -0.100 -0.584 0.118) 0.604 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.535 0.847 1.629) 2.394 1.127 ( -0.924 -0.950 -1.943) 2.352 1.221 ( 1.275 3.621 -0.169) 3.843 1.326 ( 0.914 -3.257 -3.376) 4.779 1.364 ( 3.110 1.864 -3.590) 5.102 1.417 ( 5.210 -2.842 -9.184) 10.935 1.468 ( -5.577 5.149 2.523) 7.999 1.579 ( -3.572 3.417 0.240) 4.949 1.618 ( -3.242 -5.544 0.840) 6.477 1.664 ( -2.031 -4.435 3.499) 6.003 1.791 ( 1.301 1.280 -1.833) 2.586 1.882 ( 1.391 -6.591 -4.233) 7.956 2.349 ( 1.834 3.587 10.035) 10.814 2.402 ( -0.197 -0.002 7.447) 7.450 2.493 ( -4.028 2.106 -0.171) 4.549 2.542 ( -6.234 -1.862 -3.108) 7.211 2.708 ( -1.257 10.895 0.119) 10.968 2.786 ( -2.259 2.746 7.057) 7.902 2.854 ( -0.071 5.209 4.425) 6.835 2.947 ( -7.684 0.595 1.800) 7.914 3.081 ( -4.082 -0.786 0.383) 4.175 3.189 ( -2.274 -7.060 -0.762) 7.456 3.456 ( -5.861 -0.165 1.166) 5.978 3.519 ( -7.668 -3.499 3.545) 9.144 3.628 ( -1.119 4.209 -0.360) 4.371 3.725 ( -1.796 -4.751 -2.207) 5.538 3.904 ( -7.057 -0.804 7.313) 10.194 3.970 ( -6.486 -5.316 6.835) 10.818 4.249 ( 0.927 5.282 1.625) 5.604 4.299 ( -0.449 1.230 0.717) 1.493 4.440 ( -0.799 0.657 0.922) 1.386 4.492 ( -3.839 -3.032 -0.905) 4.975 4.635 ( 4.815 3.614 -0.634) 6.053 4.742 ( 4.534 -5.049 -0.256) 6.791 5.055 ( 4.394 2.635 -2.144) 5.554 5.104 ( 3.932 -1.500 -1.829) 4.589 5.422 ( -1.549 3.000 2.302) 4.086 5.501 ( -3.014 -4.333 2.799) 5.974 5.790 ( 1.867 1.838 -7.887) 8.311 5.831 ( 1.669 -1.700 -6.032) 6.486 5.919 ( -1.022 2.374 -0.713) 2.681 5.995 ( 0.105 -3.937 -0.611) 3.986 6.068 ( 2.132 2.840 -0.206) 3.557 6.125 ( 1.434 -2.162 -1.270) 2.888 6.724 ( 4.209 6.197 1.556) 7.651 6.852 ( 2.573 -5.522 -1.656) 6.313 7.068 ( 7.371 4.058 -1.530) 8.552 7.127 ( 7.207 -0.971 -2.134) 7.579 11.036 ( 0.631 1.159 0.847) 1.568 11.045 ( 1.121 0.253 0.939) 1.484 11.202 ( 2.851 1.876 -1.231) 3.628 11.222 ( 3.864 0.535 -1.888) 4.334 11.496 ( 1.271 2.798 -2.889) 4.218 11.592 ( 1.978 -5.286 -6.192) 8.379 11.704 ( 5.154 4.433 -1.408) 6.942 11.806 ( 8.003 -4.093 -1.159) 9.063 12.709 ( -14.672 8.389 7.978) 18.689 12.916 ( -14.660 -10.518 3.200) 18.324 13.790 ( -0.270 0.279 0.384) 0.546 13.799 ( -0.437 -0.468 0.165) 0.661 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.765 2.131 -3.172) 3.897 1.133 ( -0.193 -1.753 -2.873) 3.371 1.226 ( 2.519 0.261 -2.417) 3.501 1.253 ( -2.501 -1.359 -2.449) 3.755 1.373 ( 3.338 1.408 -3.138) 4.793 1.408 ( 3.794 0.280 -1.210) 3.993 1.449 ( -1.047 4.424 4.507) 6.402 1.585 ( -0.718 2.002 3.873) 4.419 1.591 ( -1.479 -2.940 1.407) 3.579 1.695 ( -0.390 -3.555 0.967) 3.705 1.778 ( -0.579 -0.656 -1.594) 1.818 1.841 ( -1.077 -5.130 -3.544) 6.327 2.356 ( -0.795 3.202 -2.844) 4.355 2.417 ( -2.514 1.402 -0.099) 2.880 2.437 ( -3.064 1.988 -0.143) 3.656 2.484 ( -0.749 0.304 5.075) 5.139 2.649 ( -5.621 9.721 0.668) 11.249 2.799 ( -6.654 0.300 7.156) 9.776 2.852 ( -4.067 -4.572 -2.458) 6.594 2.891 ( -4.979 -3.226 3.792) 7.041 3.005 ( -5.101 -0.452 1.274) 5.277 3.143 ( -1.874 -9.760 -0.483) 9.950 3.371 ( -3.807 -0.609 0.384) 3.875 3.424 ( -5.070 -4.721 -0.035) 6.927 3.655 ( 0.919 5.474 4.632) 7.230 3.740 ( 0.882 -1.282 7.645) 7.802 3.940 ( 0.718 0.280 5.996) 6.045 3.968 ( -2.685 -3.495 6.399) 7.770 4.274 ( -0.938 3.216 1.963) 3.883 4.284 ( -1.580 1.807 0.181) 2.407 4.400 ( -4.445 -0.262 -1.796) 4.801 4.429 ( -0.864 -1.423 -1.147) 2.022 4.734 ( 4.921 4.333 2.236) 6.927 4.835 ( 4.379 -4.333 2.887) 6.803 5.078 ( 2.005 2.604 -2.784) 4.308 5.122 ( 1.716 -1.064 -2.983) 3.602 5.441 ( -1.721 1.140 4.089) 4.581 5.471 ( -4.599 -1.977 2.118) 5.435 5.738 ( 3.445 1.373 -6.979) 7.903 5.772 ( 3.049 -1.695 -9.435) 10.059 5.912 ( 0.898 2.991 -1.083) 3.306 5.979 ( 0.697 -2.918 -3.768) 4.816 6.085 ( 0.327 2.078 -0.739) 2.230 6.122 ( 0.537 -1.252 -1.296) 1.880 6.834 ( 4.056 3.021 3.995) 6.445 6.901 ( 2.844 -3.062 2.091) 4.673 7.143 ( 4.812 4.351 -3.617) 7.427 7.192 ( 4.469 0.001 -3.950) 5.964 11.047 ( 0.345 1.708 0.169) 1.751 11.073 ( 0.486 -0.523 1.321) 1.501 11.229 ( 3.097 2.822 -3.665) 5.566 11.270 ( 4.722 0.169 -4.063) 6.231 11.490 ( 1.766 3.697 -1.033) 4.226 11.581 ( 3.283 -3.108 -0.483) 4.546 11.797 ( 6.098 7.423 -1.054) 9.664 11.911 ( 5.501 -1.311 -3.057) 6.429 12.551 ( -13.631 -0.366 7.870) 15.744 12.687 ( -15.266 -11.688 2.714) 19.417 13.790 ( -0.294 -0.131 0.357) 0.480 13.791 ( -0.535 -0.319 0.153) 0.641 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.521 2.053 -3.378) 3.987 1.052 ( -2.064 0.996 -2.300) 3.247 1.231 ( -0.295 1.386 0.326) 1.454 1.264 ( 2.579 -1.325 -0.669) 2.976 1.442 ( 5.078 2.125 1.084) 5.610 1.465 ( 2.042 -0.161 0.365) 2.080 1.485 ( -0.768 4.961 2.812) 5.754 1.580 ( -2.970 2.688 -1.534) 4.289 1.609 ( -1.962 -3.153 3.664) 5.217 1.640 ( -0.310 0.774 -1.043) 1.335 1.745 ( -1.475 -3.167 -3.742) 5.119 1.786 ( -0.841 -6.076 0.262) 6.140 2.341 ( 2.192 4.867 -2.962) 6.104 2.381 ( -3.049 4.874 1.896) 6.054 2.451 ( 5.169 -3.204 0.435) 6.097 2.514 ( -1.732 -2.360 2.286) 3.714 2.590 ( -1.721 -1.255 0.584) 2.209 2.697 ( -7.874 -7.432 -1.467) 10.926 2.767 ( -3.182 -1.518 2.344) 4.234 2.792 ( -5.476 -2.797 -0.228) 6.153 2.980 ( -0.135 2.375 0.407) 2.413 3.126 ( -0.125 -9.736 -0.036) 9.737 3.341 ( -0.379 -0.038 -0.077) 0.389 3.359 ( -1.412 -1.600 -1.339) 2.519 3.716 ( 0.089 5.628 2.618) 6.207 3.836 ( 0.022 -4.591 3.657) 5.869 4.055 ( 3.933 1.671 5.064) 6.626 4.057 ( 3.083 0.345 6.660) 7.346 4.223 ( -4.969 1.541 -2.229) 5.660 4.265 ( -2.216 -1.389 0.201) 2.623 4.319 ( -1.061 4.585 -1.130) 4.840 4.391 ( -0.548 -1.315 -2.063) 2.507 4.838 ( 2.572 5.266 2.673) 6.442 4.941 ( 2.280 -4.312 3.416) 5.955 5.069 ( 0.783 2.051 -2.205) 3.112 5.111 ( 0.422 -1.056 -1.367) 1.778 5.398 ( -2.685 0.619 -1.517) 3.145 5.429 ( -2.101 -1.645 0.085) 2.670 5.729 ( 2.002 0.981 -3.044) 3.773 5.759 ( 2.456 -1.543 -1.331) 3.191 5.908 ( 0.506 1.261 -1.336) 1.906 5.933 ( -0.291 -0.818 -3.211) 3.326 6.079 ( -0.283 2.327 0.166) 2.350 6.118 ( 0.069 -1.263 -0.341) 1.310 6.938 ( 2.041 1.216 3.753) 4.442 6.969 ( 1.312 -1.645 1.073) 2.362 7.161 ( 1.780 4.038 -1.559) 4.680 7.190 ( 0.988 1.265 -3.456) 3.810 11.054 ( 0.147 2.325 0.192) 2.337 11.093 ( 0.067 -1.085 0.990) 1.470 11.225 ( 1.246 2.059 -2.338) 3.355 11.269 ( 1.189 -1.522 -3.149) 3.694 11.554 ( 3.362 8.084 1.586) 8.897 11.656 ( 2.750 -0.637 1.359) 3.133 11.865 ( 4.665 8.271 -3.235) 10.032 11.904 ( -2.560 5.584 -0.488) 6.162 12.463 ( -3.690 -10.977 2.558) 11.860 12.499 ( -8.555 -13.532 2.080) 16.144 13.785 ( -0.230 -0.188 0.050) 0.301 13.789 ( -0.121 -0.501 0.161) 0.540 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( -3.092 0.000 15.231) 15.542 0.427 ( -3.211 0.000 19.236) 19.503 0.856 ( 7.012 0.000 36.410) 37.079 1.082 ( 2.010 0.000 -3.773) 4.275 1.378 ( 0.944 0.000 -9.848) 9.894 1.454 ( 1.358 0.000 -9.586) 9.681 1.485 ( 0.418 0.000 -4.658) 4.677 1.719 ( 0.489 0.000 -2.691) 2.735 1.762 ( 0.963 0.000 -3.133) 3.278 2.043 ( -0.255 0.000 4.017) 4.025 2.133 ( -4.094 0.000 -2.031) 4.570 2.237 ( -10.695 0.000 4.057) 11.438 2.304 ( 1.108 0.000 -4.854) 4.979 2.366 ( -0.553 0.000 4.059) 4.097 2.462 ( -1.194 0.000 -0.927) 1.512 2.484 ( 0.331 0.000 -1.608) 1.642 2.656 ( 1.699 0.000 11.062) 11.192 2.780 ( -2.738 0.000 0.652) 2.814 2.943 ( -2.131 0.000 4.056) 4.582 2.983 ( 3.237 0.000 -2.129) 3.874 3.009 ( 0.264 0.000 3.280) 3.291 3.157 ( 0.675 0.000 7.902) 7.931 3.188 ( 4.408 0.000 0.244) 4.415 3.442 ( -1.257 0.000 -0.245) 1.281 3.574 ( 6.124 0.000 -2.222) 6.514 3.810 ( 2.101 0.000 3.772) 4.318 3.831 ( -4.664 0.000 -6.135) 7.707 3.908 ( -0.716 0.000 -2.602) 2.698 3.934 ( -1.226 0.000 -1.316) 1.799 4.354 ( -2.346 0.000 5.687) 6.152 4.498 ( -1.727 0.000 1.456) 2.259 4.625 ( 1.857 0.000 -2.993) 3.522 4.688 ( 3.307 0.000 2.984) 4.454 4.779 ( 0.676 0.000 -1.451) 1.601 4.979 ( -0.472 0.000 0.709) 0.851 5.294 ( 5.618 0.000 -3.011) 6.374 5.452 ( -0.201 0.000 -5.157) 5.161 5.532 ( 0.189 0.000 -1.713) 1.724 5.928 ( 0.252 0.000 1.085) 1.114 5.961 ( -13.953 0.000 -1.623) 14.047 6.120 ( 0.846 0.000 -0.743) 1.126 6.134 ( -0.497 0.000 -0.467) 0.682 6.161 ( -6.891 0.000 8.473) 10.921 6.205 ( 4.910 0.000 1.987) 5.297 6.359 ( -0.926 0.000 -1.781) 2.007 6.657 ( 12.983 0.000 2.315) 13.188 6.732 ( 1.369 0.000 -5.699) 5.861 7.071 ( -1.394 0.000 -5.797) 5.963 10.915 ( -0.099 0.000 1.027) 1.031 11.023 ( -0.164 0.000 -1.085) 1.097 11.118 ( -1.643 0.000 1.251) 2.065 11.335 ( 0.312 0.000 0.535) 0.619 11.339 ( 5.510 0.000 0.731) 5.558 11.614 ( -5.586 0.000 -10.043) 11.492 11.624 ( -8.846 0.000 0.266) 8.850 11.673 ( 11.980 0.000 -6.180) 13.480 12.538 ( -5.775 0.000 19.786) 20.611 13.501 ( 5.951 0.000 -7.036) 9.215 13.787 ( -0.139 0.000 0.584) 0.601 13.813 ( -0.030 0.000 0.265) 0.267 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 13.915 0.000 10.010) 17.141 0.666 ( 4.734 0.000 14.865) 15.601 1.137 ( 9.810 0.000 -7.376) 12.274 1.288 ( -1.129 0.000 -3.048) 3.251 1.328 ( 4.743 0.000 -0.617) 4.783 1.387 ( -2.692 0.000 -7.132) 7.623 1.407 ( 3.481 0.000 8.998) 9.648 1.694 ( -4.170 0.000 -3.377) 5.366 1.756 ( 5.141 0.000 7.612) 9.186 1.951 ( -9.150 0.000 -3.514) 9.801 2.085 ( -0.277 0.000 6.823) 6.829 2.185 ( -2.623 0.000 6.531) 7.038 2.220 ( -5.439 0.000 0.207) 5.442 2.383 ( -1.995 0.000 1.755) 2.657 2.461 ( 2.220 0.000 -3.322) 3.996 2.510 ( 2.955 0.000 -5.576) 6.311 2.620 ( -14.244 0.000 2.954) 14.548 2.670 ( -2.035 0.000 -3.932) 4.428 2.967 ( -2.715 0.000 0.752) 2.817 2.968 ( 0.027 0.000 -0.660) 0.660 3.112 ( -1.752 0.000 12.103) 12.229 3.215 ( 0.225 0.000 -1.217) 1.237 3.309 ( 5.024 0.000 6.598) 8.293 3.509 ( 5.256 0.000 5.887) 7.892 3.578 ( -5.914 0.000 -1.705) 6.155 3.726 ( 7.572 0.000 -7.379) 10.573 3.884 ( 1.773 0.000 1.762) 2.500 3.943 ( 4.285 0.000 5.212) 6.748 3.950 ( 3.550 0.000 -0.586) 3.598 4.370 ( -3.108 0.000 1.814) 3.599 4.489 ( -3.624 0.000 -5.055) 6.220 4.494 ( -0.224 0.000 1.035) 1.059 4.800 ( 4.131 0.000 3.537) 5.439 4.832 ( 1.671 0.000 -3.213) 3.621 4.985 ( -0.058 0.000 0.981) 0.983 5.323 ( 3.500 0.000 -11.410) 11.935 5.393 ( -0.340 0.000 2.162) 2.188 5.480 ( -3.157 0.000 -2.304) 3.908 5.814 ( -4.970 0.000 4.004) 6.382 5.945 ( -0.473 0.000 2.217) 2.267 6.059 ( -5.773 0.000 0.775) 5.825 6.078 ( -5.191 0.000 -0.912) 5.270 6.162 ( -3.151 0.000 3.288) 4.554 6.242 ( -6.563 0.000 -3.623) 7.497 6.381 ( 8.744 0.000 6.146) 10.688 6.758 ( 8.150 0.000 -6.045) 10.147 6.855 ( 8.709 0.000 -1.405) 8.822 6.961 ( -0.905 0.000 -8.296) 8.345 10.935 ( 0.563 0.000 1.596) 1.693 11.005 ( 0.042 0.000 -1.493) 1.493 11.115 ( -0.182 0.000 0.959) 0.976 11.325 ( -1.996 0.000 -0.443) 2.045 11.388 ( 1.282 0.000 -1.744) 2.165 11.453 ( -1.320 0.000 -6.703) 6.832 11.519 ( -5.346 0.000 2.878) 6.072 11.754 ( 5.056 0.000 -6.206) 8.004 12.716 ( 0.123 0.000 18.990) 18.990 13.475 ( 2.602 0.000 -9.036) 9.403 13.795 ( 0.150 0.000 0.663) 0.680 13.817 ( 0.206 0.000 0.132) 0.244 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 3.315 0.000 9.679) 10.231 0.949 ( 9.382 0.000 5.445) 10.848 1.153 ( 2.051 0.000 -4.776) 5.198 1.209 ( -6.475 0.000 -4.820) 8.072 1.271 ( 1.633 0.000 -8.756) 8.907 1.304 ( 2.704 0.000 -0.273) 2.718 1.508 ( 1.659 0.000 -1.014) 1.944 1.582 ( -3.172 0.000 -1.032) 3.336 1.814 ( -4.020 0.000 -1.587) 4.322 1.962 ( -3.108 0.000 6.106) 6.851 2.123 ( -4.863 0.000 -2.429) 5.436 2.189 ( 0.125 0.000 -3.017) 3.020 2.279 ( 2.255 0.000 9.220) 9.492 2.358 ( -4.600 0.000 2.929) 5.453 2.391 ( -1.082 0.000 12.974) 13.019 2.461 ( 3.872 0.000 -1.230) 4.062 2.541 ( -1.131 0.000 -3.461) 3.641 2.584 ( -0.820 0.000 -5.868) 5.925 2.939 ( -1.212 0.000 -3.096) 3.325 2.967 ( -0.867 0.000 4.127) 4.217 3.156 ( 1.552 0.000 -1.709) 2.309 3.214 ( 2.392 0.000 -0.259) 2.406 3.436 ( 2.665 0.000 3.273) 4.221 3.460 ( -4.340 0.000 -0.883) 4.429 3.726 ( 5.509 0.000 11.877) 13.093 3.791 ( 7.242 0.000 -6.698) 9.865 3.922 ( 1.584 0.000 -0.632) 1.706 4.021 ( 4.238 0.000 0.409) 4.258 4.126 ( 3.413 0.000 10.519) 11.058 4.260 ( -2.723 0.000 -10.442) 10.792 4.408 ( -2.390 0.000 -0.007) 2.390 4.520 ( 1.194 0.000 1.208) 1.698 4.785 ( -3.529 0.000 -0.493) 3.563 4.894 ( 3.161 0.000 2.256) 3.883 4.986 ( -2.545 0.000 1.815) 3.126 5.188 ( -2.149 0.000 -10.247) 10.470 5.399 ( -2.001 0.000 -1.796) 2.689 5.446 ( 3.192 0.000 0.469) 3.227 5.830 ( -0.948 0.000 4.712) 4.806 5.933 ( -7.414 0.000 -1.488) 7.562 5.956 ( -4.777 0.000 2.314) 5.308 5.968 ( -5.141 0.000 0.541) 5.170 6.122 ( -1.782 0.000 -2.412) 2.998 6.125 ( -4.137 0.000 1.336) 4.348 6.611 ( 8.076 0.000 6.917) 10.634 6.788 ( 3.079 0.000 -7.742) 8.332 6.902 ( 5.715 0.000 -5.196) 7.724 6.956 ( 4.333 0.000 0.227) 4.339 10.968 ( 0.670 0.000 1.864) 1.980 10.993 ( 0.575 0.000 -1.336) 1.454 11.134 ( 1.295 0.000 0.381) 1.350 11.264 ( -2.165 0.000 -2.486) 3.296 11.361 ( -1.761 0.000 -1.114) 2.084 11.385 ( -0.588 0.000 -3.572) 3.620 11.500 ( -1.711 0.000 3.305) 3.722 11.709 ( -1.485 0.000 -4.294) 4.544 12.978 ( 5.023 0.000 15.143) 15.954 13.392 ( 1.057 0.000 -9.292) 9.351 13.807 ( 0.377 0.000 0.609) 0.716 13.822 ( 0.250 0.000 -0.091) 0.266 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -5.171 0.000 4.750) 7.021 0.994 ( -3.447 0.000 -1.975) 3.973 1.160 ( -0.555 0.000 4.785) 4.817 1.160 ( 2.396 0.000 0.465) 2.440 1.219 ( 2.889 0.000 -5.583) 6.287 1.321 ( -0.450 0.000 1.180) 1.263 1.504 ( -2.237 0.000 -1.830) 2.891 1.611 ( 3.798 0.000 3.546) 5.196 1.742 ( -2.420 0.000 -1.250) 2.724 1.777 ( -10.147 0.000 -1.606) 10.273 1.980 ( -4.724 0.000 -7.047) 8.484 2.209 ( 2.407 0.000 -0.076) 2.408 2.327 ( -1.215 0.000 1.938) 2.288 2.390 ( 2.126 0.000 7.568) 7.861 2.446 ( -2.266 0.000 -5.605) 6.046 2.481 ( -2.589 0.000 -4.737) 5.398 2.604 ( 8.805 0.000 2.314) 9.104 2.668 ( 8.582 0.000 5.142) 10.005 2.856 ( -3.489 0.000 -1.833) 3.942 2.976 ( -1.184 0.000 -0.299) 1.221 3.179 ( 8.349 0.000 -8.684) 12.046 3.313 ( 4.702 0.000 1.429) 4.914 3.447 ( 2.135 0.000 5.536) 5.933 3.484 ( 0.719 0.000 -0.181) 0.742 3.765 ( -1.689 0.000 -6.502) 6.718 3.908 ( -3.327 0.000 3.183) 4.604 3.932 ( 3.008 0.000 6.400) 7.072 4.044 ( -2.933 0.000 -7.583) 8.130 4.124 ( 5.564 0.000 -4.435) 7.115 4.252 ( -0.141 0.000 5.641) 5.642 4.408 ( 1.141 0.000 0.435) 1.221 4.523 ( 1.991 0.000 -5.795) 6.128 4.728 ( -4.456 0.000 3.439) 5.628 4.913 ( -5.213 0.000 0.275) 5.220 5.005 ( 0.525 0.000 7.776) 7.794 5.033 ( -2.410 0.000 -7.635) 8.006 5.407 ( 3.095 0.000 1.008) 3.255 5.507 ( 4.013 0.000 -0.626) 4.062 5.775 ( -7.660 0.000 -0.442) 7.672 5.828 ( -3.724 0.000 0.791) 3.807 5.866 ( -5.969 0.000 -0.562) 5.995 5.932 ( -0.446 0.000 0.803) 0.919 6.066 ( -4.481 0.000 2.460) 5.112 6.119 ( 1.211 0.000 0.085) 1.214 6.753 ( 2.601 0.000 -4.110) 4.864 6.801 ( 4.468 0.000 5.971) 7.457 6.972 ( 6.174 0.000 -2.349) 6.606 7.014 ( 1.608 0.000 0.949) 1.867 10.993 ( 0.891 0.000 -0.939) 1.295 10.996 ( 0.116 0.000 1.307) 1.313 11.161 ( 1.964 0.000 -0.760) 2.106 11.212 ( -0.134 0.000 -2.302) 2.306 11.320 ( -1.911 0.000 -0.136) 1.916 11.333 ( -1.112 0.000 -2.191) 2.457 11.529 ( -1.426 0.000 5.851) 6.022 11.647 ( -1.549 0.000 -0.759) 1.725 13.192 ( 2.210 0.000 8.308) 8.597 13.306 ( 2.136 0.000 -8.911) 9.163 13.819 ( 0.294 0.000 0.343) 0.452 13.823 ( 0.201 0.000 -0.307) 0.367 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -6.539 0.000 3.948) 7.639 0.985 ( -0.249 0.000 7.014) 7.019 1.178 ( -0.164 0.000 0.326) 0.365 1.211 ( 0.421 0.000 1.715) 1.766 1.262 ( 5.440 0.000 0.140) 5.442 1.335 ( -0.461 0.000 2.529) 2.570 1.357 ( -7.883 0.000 -0.536) 7.901 1.666 ( -2.493 0.000 -2.633) 3.626 1.715 ( 1.850 0.000 -4.188) 4.578 1.726 ( 1.334 0.000 -0.319) 1.371 1.877 ( 1.661 0.000 1.003) 1.940 2.220 ( -0.548 0.000 -0.388) 0.671 2.313 ( -2.177 0.000 -9.778) 10.018 2.370 ( 2.772 0.000 -3.533) 4.490 2.391 ( -2.859 0.000 5.057) 5.810 2.511 ( 0.663 0.000 5.258) 5.300 2.694 ( 1.360 0.000 -5.520) 5.685 2.768 ( 4.507 0.000 -5.077) 6.789 2.858 ( 1.372 0.000 5.096) 5.277 2.944 ( -0.687 0.000 -1.334) 1.501 3.213 ( 7.923 0.000 -10.473) 13.132 3.325 ( 1.097 0.000 -5.523) 5.631 3.468 ( 1.980 0.000 -4.195) 4.639 3.547 ( -11.709 0.000 -2.184) 11.911 3.660 ( 5.465 0.000 6.201) 8.266 3.850 ( -5.361 0.000 2.370) 5.861 3.968 ( 7.182 0.000 -7.111) 10.107 4.005 ( -3.332 0.000 4.259) 5.408 4.206 ( 3.375 0.000 2.155) 4.004 4.266 ( -2.782 0.000 0.994) 2.954 4.394 ( -1.995 0.000 -2.876) 3.500 4.501 ( 7.700 0.000 -9.571) 12.284 4.718 ( -2.863 0.000 4.262) 5.135 4.806 ( -8.412 0.000 1.972) 8.640 4.984 ( 4.015 0.000 -0.685) 4.073 5.062 ( -2.317 0.000 3.217) 3.964 5.491 ( 5.206 0.000 0.381) 5.220 5.563 ( 2.952 0.000 -0.886) 3.082 5.669 ( -7.505 0.000 3.172) 8.147 5.774 ( -1.882 0.000 -0.024) 1.882 5.822 ( 0.233 0.000 3.143) 3.152 5.895 ( -1.970 0.000 -3.272) 3.819 6.065 ( -1.557 0.000 5.119) 5.351 6.130 ( 0.217 0.000 -0.672) 0.706 6.784 ( 3.484 0.000 0.585) 3.533 6.887 ( -2.034 0.000 4.068) 4.548 7.039 ( 0.537 0.000 0.742) 0.916 7.041 ( 3.464 0.000 -0.173) 3.468 10.996 ( -0.890 0.000 -0.106) 0.896 10.997 ( 0.893 0.000 -0.811) 1.206 11.179 ( 1.611 0.000 -1.467) 2.178 11.202 ( 1.209 0.000 -1.748) 2.125 11.298 ( -0.754 0.000 0.663) 1.004 11.317 ( 0.615 0.000 0.758) 0.976 11.581 ( -2.923 0.000 8.445) 8.937 11.647 ( 0.483 0.000 2.635) 2.679 13.227 ( -4.204 0.000 0.164) 4.208 13.268 ( 5.037 0.000 -7.321) 8.887 13.822 ( 0.190 0.000 -0.410) 0.452 13.823 ( -0.109 0.000 -0.094) 0.144 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.764 0.000 8.497) 8.531 1.075 ( -4.339 0.000 -0.906) 4.433 1.135 ( 0.283 0.000 5.436) 5.444 1.182 ( -5.332 0.000 1.265) 5.480 1.369 ( 3.876 0.000 4.388) 5.855 1.380 ( 4.062 0.000 0.569) 4.102 1.419 ( 11.074 0.000 3.245) 11.540 1.544 ( -2.596 0.000 -5.752) 6.310 1.707 ( 2.180 0.000 -2.111) 3.034 1.727 ( -0.294 0.000 -1.248) 1.282 1.961 ( 3.894 0.000 -0.752) 3.966 2.137 ( -2.019 0.000 -12.095) 12.262 2.199 ( -0.625 0.000 -1.609) 1.726 2.337 ( -2.004 0.000 2.904) 3.529 2.480 ( -6.966 0.000 -3.077) 7.615 2.494 ( 5.498 0.000 0.183) 5.501 2.608 ( -3.378 0.000 -3.283) 4.711 2.750 ( -0.256 0.000 -1.752) 1.771 2.900 ( -0.807 0.000 0.817) 1.148 2.917 ( -3.885 0.000 1.128) 4.046 3.151 ( -0.199 0.000 -9.910) 9.912 3.250 ( -0.368 0.000 -6.794) 6.804 3.320 ( -4.735 0.000 -3.516) 5.898 3.501 ( 4.506 0.000 -2.028) 4.942 3.823 ( 1.499 0.000 -0.145) 1.506 3.847 ( 6.718 0.000 4.687) 8.192 3.929 ( -9.639 0.000 3.453) 10.239 4.048 ( 4.906 0.000 -1.607) 5.163 4.181 ( -6.321 0.000 -1.971) 6.621 4.250 ( -2.582 0.000 0.953) 2.752 4.320 ( 2.078 0.000 -3.729) 4.269 4.544 ( 6.778 0.000 -7.842) 10.365 4.704 ( -3.131 0.000 1.260) 3.375 4.743 ( 1.097 0.000 3.701) 3.860 5.043 ( -2.664 0.000 1.974) 3.316 5.111 ( 6.656 0.000 2.798) 7.220 5.531 ( -3.956 0.000 1.451) 4.214 5.562 ( -1.644 0.000 -1.536) 2.250 5.660 ( 5.101 0.000 2.164) 5.541 5.789 ( 3.022 0.000 0.441) 3.054 5.834 ( -0.784 0.000 -0.906) 1.198 5.876 ( 0.189 0.000 1.824) 1.834 6.099 ( -0.598 0.000 2.825) 2.888 6.122 ( 0.422 0.000 -0.032) 0.423 6.824 ( -8.470 0.000 1.217) 8.556 6.885 ( 3.901 0.000 5.048) 6.379 7.054 ( -0.118 0.000 0.758) 0.767 7.079 ( 0.536 0.000 0.496) 0.730 10.969 ( -1.268 0.000 -0.996) 1.613 11.008 ( 1.032 0.000 -0.151) 1.043 11.174 ( -0.113 0.000 -1.603) 1.607 11.207 ( 1.741 0.000 -1.308) 2.177 11.313 ( 1.110 0.000 1.032) 1.515 11.353 ( 1.845 0.000 0.468) 1.903 11.620 ( -4.563 0.000 8.640) 9.771 11.736 ( 3.408 0.000 6.703) 7.519 13.060 ( -10.629 0.000 -5.992) 12.201 13.305 ( 7.499 0.000 -4.850) 8.931 13.814 ( -0.489 0.000 -0.382) 0.621 13.820 ( 0.157 0.000 -0.365) 0.398 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -10.942 0.000 -10.117) 14.902 0.909 ( -11.405 0.000 2.536) 11.684 1.202 ( 4.572 0.000 8.020) 9.232 1.294 ( 5.064 0.000 7.478) 9.032 1.462 ( 2.220 0.000 -0.912) 2.400 1.475 ( 0.546 0.000 -3.340) 3.384 1.505 ( 8.065 0.000 3.105) 8.642 1.577 ( -0.880 0.000 0.738) 1.149 1.708 ( 1.355 0.000 -4.063) 4.283 1.746 ( 3.469 0.000 -2.558) 4.310 1.967 ( -3.978 0.000 -6.485) 7.608 1.974 ( 3.075 0.000 -4.818) 5.716 2.115 ( -5.457 0.000 -3.772) 6.634 2.336 ( -1.883 0.000 3.947) 4.374 2.351 ( -0.054 0.000 1.119) 1.121 2.507 ( 0.145 0.000 -2.520) 2.524 2.575 ( 1.024 0.000 -2.102) 2.338 2.758 ( 2.783 0.000 -3.210) 4.249 2.822 ( -7.665 0.000 4.427) 8.852 2.889 ( -0.988 0.000 1.566) 1.852 3.042 ( -0.800 0.000 -4.936) 5.000 3.173 ( 1.005 0.000 -6.220) 6.300 3.339 ( 6.648 0.000 -0.139) 6.649 3.493 ( -5.317 0.000 0.994) 5.409 3.755 ( -8.527 0.000 -0.462) 8.539 3.916 ( 2.940 0.000 0.044) 2.940 3.974 ( 3.841 0.000 0.204) 3.847 4.025 ( -7.470 0.000 -1.179) 7.563 4.037 ( -3.962 0.000 0.361) 3.979 4.206 ( 0.034 0.000 -2.392) 2.392 4.372 ( 4.928 0.000 -0.815) 4.995 4.510 ( -0.799 0.000 -2.429) 2.557 4.754 ( 4.815 0.000 -0.865) 4.892 4.850 ( 4.468 0.000 6.033) 7.507 5.007 ( -2.984 0.000 -0.327) 3.002 5.219 ( 4.754 0.000 -1.774) 5.075 5.479 ( -3.168 0.000 1.667) 3.580 5.481 ( -4.000 0.000 -3.026) 5.016 5.803 ( 7.737 0.000 0.818) 7.780 5.851 ( 0.928 0.000 4.796) 4.885 5.871 ( 1.176 0.000 -1.228) 1.701 5.882 ( 5.143 0.000 0.543) 5.172 6.105 ( -0.650 0.000 0.137) 0.664 6.163 ( 2.386 0.000 2.051) 3.146 6.649 ( -11.667 0.000 -0.592) 11.682 6.995 ( 0.138 0.000 4.062) 4.064 7.047 ( -1.189 0.000 0.011) 1.189 7.083 ( 0.046 0.000 1.640) 1.641 10.937 ( -1.036 0.000 -0.899) 1.372 11.025 ( 0.575 0.000 0.497) 0.760 11.146 ( -0.873 0.000 -1.288) 1.556 11.234 ( 3.090 0.000 -1.271) 3.341 11.346 ( 1.334 0.000 0.149) 1.342 11.384 ( 2.492 0.000 -0.989) 2.682 11.634 ( -4.555 0.000 7.143) 8.472 11.908 ( 5.802 0.000 7.533) 9.508 12.747 ( -15.672 0.000 -7.128) 17.217 13.393 ( 7.600 0.000 -2.900) 8.135 13.800 ( -0.591 0.000 -0.272) 0.650 13.818 ( -0.011 0.000 -0.212) 0.212 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -14.146 0.000 -10.525) 17.632 0.671 ( -17.547 0.000 2.169) 17.681 1.223 ( -25.914 0.000 -5.836) 26.563 1.332 ( -1.425 0.000 -2.692) 3.046 1.457 ( -0.247 0.000 4.713) 4.719 1.457 ( 2.587 0.000 7.520) 7.953 1.568 ( -0.852 0.000 -1.760) 1.956 1.595 ( -2.575 0.000 -2.043) 3.287 1.656 ( 5.054 0.000 -2.821) 5.788 1.779 ( 15.195 0.000 1.335) 15.254 1.975 ( 2.289 0.000 -1.863) 2.951 2.014 ( 5.965 0.000 -0.067) 5.965 2.051 ( -2.091 0.000 3.406) 3.996 2.363 ( 3.739 0.000 -5.220) 6.421 2.474 ( 5.554 0.000 5.401) 7.747 2.474 ( -3.215 0.000 2.659) 4.172 2.565 ( -0.091 0.000 -0.343) 0.355 2.681 ( 1.341 0.000 -4.505) 4.701 2.903 ( 5.628 0.000 4.188) 7.015 2.917 ( -0.386 0.000 4.293) 4.310 3.000 ( -0.036 0.000 -1.975) 1.975 3.134 ( 2.503 0.000 -5.882) 6.392 3.345 ( -11.728 0.000 0.167) 11.730 3.466 ( 6.621 0.000 0.258) 6.626 3.638 ( -6.548 0.000 2.190) 6.905 3.815 ( -5.664 0.000 -3.999) 6.934 3.942 ( -3.776 0.000 -1.752) 4.163 4.009 ( -0.658 0.000 1.769) 1.888 4.041 ( 1.003 0.000 4.096) 4.217 4.157 ( -3.153 0.000 -2.665) 4.128 4.433 ( 3.898 0.000 -2.481) 4.620 4.498 ( 0.711 0.000 0.082) 0.716 4.742 ( -4.342 0.000 -2.185) 4.861 4.973 ( 0.861 0.000 -1.050) 1.358 5.030 ( 5.598 0.000 8.228) 9.952 5.237 ( 2.780 0.000 -5.692) 6.335 5.382 ( -3.204 0.000 -1.491) 3.533 5.476 ( 1.280 0.000 0.520) 1.382 5.869 ( 2.162 0.000 -0.031) 2.162 5.903 ( -0.576 0.000 2.200) 2.274 5.979 ( 8.583 0.000 0.408) 8.593 5.995 ( 5.328 0.000 2.516) 5.892 6.090 ( -0.283 0.000 -0.640) 0.700 6.235 ( 3.677 0.000 1.148) 3.852 6.439 ( -11.541 0.000 0.126) 11.542 6.955 ( -5.129 0.000 -0.668) 5.172 7.010 ( -1.324 0.000 -3.477) 3.721 7.132 ( 0.841 0.000 2.156) 2.314 10.916 ( -0.667 0.000 -0.118) 0.677 11.036 ( 0.024 0.000 0.375) 0.376 11.118 ( -0.711 0.000 -0.917) 1.161 11.276 ( 3.294 0.000 -1.170) 3.496 11.346 ( -0.208 0.000 -2.211) 2.221 11.430 ( 5.130 0.000 -1.593) 5.371 11.649 ( -2.185 0.000 5.653) 6.061 12.054 ( 5.177 0.000 -4.728) 7.011 12.421 ( -17.115 0.000 5.970) 18.126 13.476 ( 5.336 0.000 -2.576) 5.925 13.790 ( -0.493 0.000 0.077) 0.499 13.815 ( -0.230 0.000 0.006) 0.230 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -6.766 0.000 21.261) 22.312 0.423 ( -17.654 0.000 10.833) 20.713 0.682 ( -32.341 0.000 9.699) 33.764 1.177 ( -7.501 0.000 -2.939) 8.056 1.463 ( 3.192 0.000 -9.102) 9.645 1.494 ( 3.221 0.000 -6.547) 7.297 1.554 ( -2.084 0.000 -1.085) 2.349 1.662 ( 3.591 0.000 8.909) 9.605 1.733 ( 6.620 0.000 -3.317) 7.404 1.989 ( 2.319 0.000 1.147) 2.587 2.066 ( 11.524 0.000 2.291) 11.750 2.118 ( 2.760 0.000 12.523) 12.824 2.184 ( 6.551 0.000 8.248) 10.533 2.352 ( 2.019 0.000 -2.001) 2.843 2.491 ( -1.074 0.000 3.061) 3.244 2.523 ( -2.775 0.000 5.325) 6.005 2.546 ( -2.476 0.000 2.500) 3.518 2.779 ( 10.454 0.000 -7.416) 12.817 2.955 ( -1.816 0.000 3.642) 4.070 2.981 ( 1.198 0.000 -6.210) 6.325 2.983 ( 0.422 0.000 -0.580) 0.717 3.121 ( 4.247 0.000 -4.299) 6.043 3.162 ( -9.390 0.000 2.955) 9.844 3.530 ( 2.150 0.000 -2.295) 3.145 3.532 ( -8.152 0.000 0.994) 8.212 3.750 ( 1.752 0.000 -0.826) 1.937 3.872 ( -1.528 0.000 0.352) 1.568 3.977 ( -3.479 0.000 -0.723) 3.553 4.038 ( -5.921 0.000 -2.364) 6.375 4.205 ( 6.630 0.000 14.715) 16.140 4.444 ( 1.540 0.000 -1.374) 2.064 4.510 ( -1.118 0.000 1.468) 1.845 4.651 ( -1.619 0.000 -0.639) 1.741 4.980 ( -0.072 0.000 0.297) 0.306 5.057 ( -6.918 0.000 -9.911) 12.087 5.248 ( 4.080 0.000 -1.820) 4.467 5.410 ( 2.910 0.000 7.930) 8.447 5.517 ( 2.924 0.000 -0.810) 3.034 5.905 ( 1.286 0.000 0.704) 1.466 5.937 ( 5.576 0.000 2.979) 6.322 6.078 ( -0.106 0.000 2.141) 2.144 6.103 ( 4.731 0.000 -0.032) 4.731 6.114 ( 4.403 0.000 0.646) 4.450 6.283 ( -8.997 0.000 3.124) 9.524 6.317 ( 5.192 0.000 -0.397) 5.207 6.825 ( -11.517 0.000 -16.847) 20.407 6.836 ( -5.492 0.000 -3.204) 6.359 7.136 ( -0.697 0.000 -1.794) 1.925 10.912 ( -0.435 0.000 0.808) 0.918 11.034 ( -0.170 0.000 -0.351) 0.390 11.109 ( 0.275 0.000 1.120) 1.153 11.288 ( -2.107 0.000 -1.885) 2.827 11.313 ( 1.955 0.000 -0.274) 1.974 11.530 ( 9.388 0.000 -2.550) 9.728 11.698 ( 1.457 0.000 1.582) 2.150 11.877 ( -5.428 0.000 -16.107) 16.997 12.413 ( -7.390 0.000 19.962) 21.286 13.495 ( 1.271 0.000 -3.670) 3.884 13.785 ( -0.345 0.000 0.396) 0.525 13.812 ( -0.239 0.000 0.271) 0.361 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 5.631 15.899 5.917) 17.874 0.656 ( 2.211 11.617 15.049) 19.139 1.117 ( -1.754 12.817 8.443) 15.448 1.134 ( 2.077 12.400 9.714) 15.888 1.330 ( 0.497 -1.990 -8.895) 9.128 1.451 ( 1.651 -3.125 -3.380) 4.890 1.502 ( -0.276 2.187 -6.749) 7.100 1.707 ( -0.062 -1.145 -3.861) 4.028 1.765 ( 1.173 -0.674 -3.486) 3.739 1.946 ( -3.377 -8.870 2.113) 9.723 1.996 ( -0.466 -3.928 5.638) 6.887 2.165 ( -6.461 -7.346 8.593) 13.021 2.278 ( -1.099 -2.653 3.002) 4.155 2.343 ( -1.063 -3.961 -1.013) 4.225 2.450 ( 1.970 0.602 3.185) 3.793 2.531 ( 2.042 4.192 -2.925) 5.504 2.598 ( -1.048 -6.545 -0.985) 6.701 2.769 ( 1.364 7.165 0.831) 7.341 2.794 ( 0.292 -6.839 10.349) 12.408 2.943 ( 1.197 -2.240 -0.743) 2.647 3.045 ( -0.404 3.776 3.056) 4.875 3.244 ( -1.384 4.703 4.786) 6.851 3.329 ( 0.930 5.110 -2.005) 5.567 3.478 ( -1.218 2.161 -2.336) 3.407 3.601 ( 4.810 2.793 -1.921) 5.884 3.792 ( 0.215 3.869 -1.039) 4.012 3.891 ( -0.253 -0.246 0.927) 0.992 3.980 ( -1.755 5.253 -0.640) 5.576 4.000 ( -0.668 6.118 -2.035) 6.482 4.360 ( -4.880 -0.760 10.948) 12.010 4.488 ( -0.408 -1.392 1.274) 1.931 4.515 ( 5.358 -5.192 4.183) 8.553 4.651 ( -0.770 2.270 -4.224) 4.856 4.774 ( 1.056 1.445 1.762) 2.511 5.107 ( -1.098 -1.337 -3.676) 4.063 5.231 ( 2.704 -3.794 -0.305) 4.669 5.419 ( -1.616 -1.543 -1.510) 2.697 5.605 ( 3.389 2.773 -11.816) 12.602 5.883 ( -1.947 -2.759 -0.195) 3.383 5.979 ( -1.663 -3.914 0.369) 4.269 6.027 ( 0.563 -4.914 -1.326) 5.121 6.080 ( -5.808 -1.771 -1.051) 6.162 6.166 ( 0.970 -2.063 2.001) 3.033 6.248 ( -0.104 3.264 2.715) 4.246 6.343 ( -1.536 -0.349 0.933) 1.831 6.639 ( 6.927 1.353 4.458) 8.348 6.810 ( 1.270 4.857 -5.033) 7.109 7.056 ( -1.353 -1.349 -4.943) 5.300 10.914 ( 0.895 0.802 0.117) 1.207 11.007 ( 0.879 -1.253 -0.651) 1.663 11.120 ( -0.663 0.438 0.923) 1.219 11.297 ( 2.070 -0.634 0.092) 2.167 11.439 ( -0.883 3.630 -3.230) 4.939 11.488 ( -3.562 -4.308 -3.658) 6.680 11.632 ( 4.669 -1.946 0.281) 5.066 11.805 ( -0.623 5.764 -11.792) 13.141 12.572 ( -4.232 4.051 19.385) 20.251 13.453 ( 2.590 -3.608 -3.917) 5.922 13.786 ( -0.107 -0.091 0.585) 0.602 13.813 ( -0.016 0.019 0.173) 0.175 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 11.554 10.311 6.933) 16.967 0.866 ( 3.381 13.170 10.979) 17.476 1.134 ( 7.159 0.139 -8.344) 10.995 1.238 ( 0.970 -1.813 -2.420) 3.176 1.375 ( -2.251 -0.852 -6.967) 7.371 1.396 ( -0.288 2.460 4.901) 5.492 1.444 ( 0.838 2.128 -2.999) 3.771 1.685 ( -3.661 -1.090 -2.742) 4.702 1.756 ( 3.495 0.111 7.901) 8.640 1.862 ( -5.772 -6.925 -0.101) 9.015 2.081 ( 2.152 0.480 7.324) 7.649 2.094 ( -6.894 -4.168 4.552) 9.253 2.283 ( -3.812 -3.697 -0.136) 5.312 2.298 ( -1.180 -0.398 4.439) 4.610 2.439 ( -0.847 2.058 -0.314) 2.248 2.550 ( -2.035 -0.457 -7.150) 7.448 2.558 ( 0.668 -5.269 -1.257) 5.458 2.723 ( -4.162 6.054 -1.968) 7.606 2.918 ( -0.993 -1.432 2.682) 3.198 2.988 ( 0.372 -3.025 5.648) 6.418 3.066 ( -1.710 2.271 6.555) 7.145 3.277 ( -0.335 2.455 -0.731) 2.583 3.344 ( 2.553 2.524 2.202) 4.212 3.511 ( 2.745 1.256 6.833) 7.470 3.566 ( -4.887 0.015 -2.439) 5.462 3.837 ( 8.988 6.398 -5.111) 12.159 3.907 ( 2.728 2.089 0.229) 3.444 3.963 ( 0.265 4.633 0.680) 4.690 4.066 ( 4.246 7.044 4.708) 9.477 4.356 ( -5.878 -1.553 5.581) 8.253 4.499 ( -0.692 -0.716 0.549) 1.136 4.512 ( -2.057 1.906 -6.070) 6.686 4.691 ( 4.029 -5.124 2.814) 7.100 4.844 ( 3.557 0.519 0.599) 3.644 5.021 ( -4.699 -1.078 0.049) 4.821 5.233 ( -0.988 -5.923 -5.384) 8.065 5.355 ( -0.328 -1.613 -0.740) 1.804 5.557 ( 3.327 3.598 -7.728) 9.151 5.813 ( -5.354 -0.849 2.762) 6.084 5.949 ( -1.978 -0.469 2.260) 3.040 5.992 ( -4.234 -4.982 -1.110) 6.631 6.009 ( -2.412 -3.816 0.016) 4.514 6.144 ( -3.368 -1.702 1.101) 3.931 6.224 ( -5.142 -2.149 -2.905) 6.285 6.430 ( 7.491 4.260 6.903) 11.042 6.797 ( 8.767 1.287 -4.274) 9.838 6.858 ( 6.987 1.897 -1.442) 7.382 6.961 ( -0.869 0.308 -6.673) 6.737 10.937 ( 1.073 0.829 0.750) 1.550 11.006 ( 0.896 -0.230 -1.958) 2.166 11.120 ( -0.176 0.447 0.880) 1.003 11.279 ( -3.270 -4.336 -2.764) 6.093 11.375 ( 0.309 2.746 0.483) 2.805 11.473 ( 1.431 1.591 -0.768) 2.274 11.647 ( -3.113 5.714 -6.285) 9.047 11.730 ( 5.413 -1.932 -3.654) 6.811 12.738 ( -1.892 2.534 18.091) 18.366 13.405 ( -0.299 -5.402 -6.631) 8.558 13.793 ( 0.108 -0.085 0.651) 0.665 13.816 ( 0.128 -0.132 0.055) 0.192 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 1.373 6.534 3.521) 7.549 1.024 ( 5.687 7.509 6.812) 11.625 1.153 ( 4.171 0.748 -2.662) 5.004 1.203 ( -3.318 -0.246 -5.594) 6.509 1.270 ( 0.484 -0.547 -6.894) 6.933 1.355 ( 0.779 3.006 -0.884) 3.229 1.457 ( 1.560 -4.110 -0.695) 4.451 1.557 ( -3.546 -2.127 -2.217) 4.692 1.774 ( -2.802 -3.643 0.159) 4.599 1.912 ( -3.977 -3.906 4.918) 7.433 2.039 ( -3.596 -5.978 1.980) 7.252 2.182 ( -1.430 -5.166 0.669) 5.402 2.243 ( -1.474 1.690 -2.640) 3.464 2.323 ( -1.222 -2.047 4.002) 4.658 2.420 ( -3.619 2.367 5.802) 7.237 2.489 ( 4.688 2.791 2.722) 6.097 2.534 ( -0.680 -1.831 -0.733) 2.086 2.624 ( -2.287 4.332 -3.315) 5.915 2.939 ( -0.683 0.453 -1.238) 1.485 3.008 ( 0.510 2.099 1.442) 2.597 3.125 ( 3.296 -1.875 2.703) 4.657 3.248 ( 0.991 2.080 -2.994) 3.777 3.423 ( 1.962 0.989 1.852) 2.874 3.461 ( -1.869 0.077 -2.241) 2.919 3.700 ( 2.820 0.246 10.908) 11.269 3.878 ( 1.783 -1.319 -2.050) 3.020 3.945 ( 0.466 5.078 -1.031) 5.203 4.050 ( 7.712 4.589 0.335) 8.980 4.188 ( -0.401 4.223 6.487) 7.751 4.292 ( -3.915 1.653 -2.880) 5.133 4.396 ( -1.067 -0.019 -4.017) 4.156 4.482 ( -2.938 -4.903 -0.037) 5.715 4.774 ( 2.219 0.579 3.409) 4.108 4.907 ( 3.059 0.298 0.244) 3.083 4.958 ( -6.196 -3.409 3.109) 7.725 5.106 ( -1.522 -4.860 -7.751) 9.274 5.386 ( 1.980 0.095 1.250) 2.344 5.508 ( 1.743 3.385 -6.712) 7.717 5.792 ( -2.644 -3.666 3.894) 5.966 5.870 ( -6.419 -5.012 -2.415) 8.495 5.922 ( -4.381 -1.540 2.619) 5.331 5.998 ( -1.165 1.716 1.013) 2.308 6.097 ( -3.635 -2.211 0.513) 4.285 6.121 ( -1.442 -0.200 -2.285) 2.709 6.656 ( 7.993 3.253 7.014) 11.121 6.846 ( 2.278 4.096 -5.975) 7.594 6.901 ( 6.701 -0.018 -4.741) 8.209 6.960 ( 3.883 1.253 -0.249) 4.087 10.957 ( 0.956 -0.093 -0.787) 1.241 11.008 ( 1.326 0.971 -0.262) 1.664 11.139 ( 1.158 0.290 0.712) 1.390 11.205 ( -1.784 -2.334 -1.560) 3.326 11.380 ( -0.357 1.910 -0.703) 2.066 11.481 ( 0.497 5.143 -2.520) 5.748 11.549 ( -1.554 2.752 -0.967) 3.305 11.736 ( -0.754 3.020 -1.719) 3.556 12.937 ( 1.756 -3.400 14.029) 14.541 13.302 ( -1.248 -7.607 -7.768) 10.943 13.804 ( 0.274 -0.224 0.592) 0.690 13.818 ( 0.096 -0.358 -0.092) 0.382 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -5.832 0.340 -1.269) 5.978 1.057 ( -4.665 4.574 3.983) 7.652 1.160 ( 2.806 0.670 -2.850) 4.055 1.192 ( -0.262 2.805 2.875) 4.025 1.245 ( 4.400 1.327 -2.046) 5.031 1.346 ( -1.845 2.397 -0.003) 3.025 1.485 ( 0.655 -1.632 -0.908) 1.979 1.587 ( 4.992 -2.321 2.515) 6.053 1.727 ( -5.000 -2.251 -0.970) 5.568 1.748 ( -7.750 -1.120 -0.366) 7.839 1.961 ( -5.010 -3.547 -5.264) 8.086 2.136 ( -0.626 -4.533 -1.212) 4.734 2.240 ( 0.087 -5.278 2.343) 5.775 2.368 ( 3.190 -2.446 1.381) 4.251 2.434 ( -3.953 0.443 3.837) 5.527 2.511 ( 3.092 2.430 -5.032) 6.387 2.608 ( 3.799 -0.503 2.773) 4.730 2.662 ( 5.594 -0.139 1.213) 5.726 2.856 ( -3.303 0.643 -3.303) 4.715 3.032 ( 0.584 1.998 -0.282) 2.101 3.210 ( 6.422 2.597 -6.774) 9.689 3.286 ( 2.655 -3.327 2.138) 4.763 3.447 ( 2.070 -0.308 3.144) 3.777 3.478 ( 1.717 0.617 -0.068) 1.826 3.747 ( -3.531 -0.442 -2.594) 4.404 3.869 ( -0.570 -3.976 -0.111) 4.018 3.944 ( -4.219 1.811 4.220) 6.235 4.117 ( -2.563 2.978 -5.188) 6.508 4.162 ( 4.431 3.777 -2.268) 6.249 4.228 ( -1.176 -1.167 -0.780) 1.832 4.406 ( 1.046 -0.431 0.184) 1.146 4.437 ( -1.780 -5.303 4.111) 6.942 4.767 ( -7.966 -2.386 -6.838) 10.766 4.867 ( 2.370 1.295 3.604) 4.504 5.009 ( 1.968 0.401 3.295) 3.859 5.044 ( -0.518 0.733 -0.926) 1.290 5.430 ( 1.962 2.303 0.704) 3.106 5.503 ( 2.550 -1.118 -0.828) 2.905 5.729 ( -3.884 -3.572 -1.021) 5.375 5.800 ( -3.499 -1.251 2.515) 4.487 5.894 ( -1.431 -0.013 -0.180) 1.442 5.952 ( -2.980 2.688 -0.204) 4.018 6.043 ( -3.614 -1.764 2.136) 4.554 6.117 ( 1.207 -0.102 -0.497) 1.309 6.827 ( 2.579 6.067 -3.508) 7.468 6.848 ( 4.899 3.081 5.918) 8.278 6.978 ( 5.913 0.961 -1.300) 6.130 7.004 ( 1.322 -0.404 -0.052) 1.383 10.960 ( 1.435 -0.808 -1.635) 2.320 11.034 ( 0.800 1.844 0.703) 2.129 11.165 ( 1.369 -0.376 -0.487) 1.500 11.190 ( 0.801 1.028 0.546) 1.413 11.349 ( -0.967 1.837 -1.542) 2.586 11.444 ( -1.105 7.083 -1.298) 7.285 11.557 ( -0.534 2.358 3.199) 4.010 11.694 ( -2.507 4.747 0.697) 5.413 13.092 ( 0.830 -8.917 6.592) 11.120 13.196 ( 0.040 -9.571 -7.250) 12.007 13.813 ( 0.188 -0.561 -0.025) 0.592 13.818 ( 0.070 -0.426 0.066) 0.437 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -3.429 0.984 4.135) 5.461 1.038 ( -3.901 3.969 7.345) 9.215 1.183 ( 2.982 0.194 -2.971) 4.214 1.237 ( 2.563 2.567 0.708) 3.696 1.291 ( -0.661 1.533 0.836) 1.866 1.331 ( 0.598 1.796 1.835) 2.636 1.388 ( -5.433 1.648 0.530) 5.703 1.652 ( -2.467 -3.047 -1.297) 4.129 1.666 ( 1.466 -2.599 -3.157) 4.344 1.735 ( 0.890 0.086 -2.013) 2.202 1.846 ( 2.136 -3.028 0.161) 3.709 2.116 ( -0.308 -6.721 -1.006) 6.803 2.284 ( 1.109 -5.167 1.441) 5.478 2.332 ( -2.126 0.466 -2.762) 3.517 2.417 ( -3.828 2.733 -1.576) 4.961 2.558 ( 3.592 2.888 3.272) 5.652 2.678 ( -0.568 -0.402 -4.151) 4.209 2.736 ( 5.746 -3.521 -2.752) 7.279 2.811 ( 2.522 -2.991 -0.113) 3.914 3.017 ( -1.924 2.143 -0.330) 2.899 3.224 ( 5.785 1.673 -8.671) 10.557 3.302 ( -0.362 -3.673 -2.415) 4.411 3.438 ( -0.986 -2.433 -4.215) 4.966 3.574 ( 1.302 -4.451 6.782) 8.216 3.603 ( -5.494 0.431 -4.255) 6.963 3.817 ( -3.288 -1.750 -7.407) 8.291 3.896 ( 1.275 -1.541 2.310) 3.056 4.102 ( 1.010 2.889 -1.394) 3.363 4.169 ( -2.985 -2.481 1.113) 4.038 4.201 ( 4.572 -1.315 -4.468) 6.527 4.417 ( -2.359 1.250 2.283) 3.513 4.470 ( -3.891 -12.158 2.269) 12.966 4.587 ( 1.894 4.549 -5.113) 7.101 4.956 ( -0.581 -0.627 -5.027) 5.099 4.989 ( 1.177 7.218 6.299) 9.652 5.081 ( -0.198 1.028 2.839) 3.025 5.481 ( 1.047 -0.242 1.406) 1.770 5.505 ( 0.795 -4.734 -1.176) 4.942 5.719 ( -2.631 3.041 3.050) 5.047 5.779 ( 0.624 1.050 0.241) 1.245 5.869 ( -0.661 2.124 2.539) 3.376 5.907 ( -1.640 2.302 -1.242) 3.087 6.051 ( -1.024 -1.130 5.041) 5.266 6.129 ( 0.668 -0.024 -0.420) 0.789 6.839 ( 2.744 4.124 -1.774) 5.262 6.930 ( -2.967 3.345 2.682) 5.214 7.029 ( 2.142 -0.879 1.525) 2.773 7.063 ( 3.038 2.728 1.863) 4.488 10.972 ( 1.844 -0.401 -1.071) 2.170 11.037 ( -0.752 1.875 -0.346) 2.050 11.184 ( 0.549 1.259 0.095) 1.377 11.213 ( 0.670 2.463 0.300) 2.570 11.342 ( 1.556 2.193 0.579) 2.751 11.419 ( -0.344 7.947 -0.371) 7.963 11.594 ( -1.378 1.121 5.600) 5.875 11.685 ( -1.367 3.875 3.489) 5.391 13.108 ( -3.221 -10.757 -0.635) 11.247 13.138 ( 3.005 -11.512 -6.477) 13.547 13.812 ( 0.153 -0.793 -0.379) 0.892 13.818 ( -0.177 -0.480 -0.162) 0.537 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.378 3.664 7.737) 8.569 1.061 ( -4.657 -0.286 -0.228) 4.672 1.166 ( -0.820 2.500 4.543) 5.249 1.223 ( -0.921 2.846 0.109) 2.993 1.339 ( 2.430 -1.508 -1.873) 3.419 1.403 ( 2.630 0.839 4.359) 5.160 1.446 ( 8.755 2.700 4.082) 10.030 1.550 ( -1.919 0.229 -4.913) 5.279 1.656 ( 2.324 -4.475 -1.896) 5.387 1.708 ( 0.167 -1.668 -1.907) 2.539 1.947 ( 3.364 -1.684 -0.410) 3.784 2.104 ( 0.833 -6.466 -0.591) 6.546 2.200 ( -1.319 3.915 -9.815) 10.648 2.298 ( -2.769 -2.705 0.565) 3.912 2.402 ( -0.732 -1.205 3.872) 4.121 2.549 ( -3.297 0.118 -5.047) 6.029 2.586 ( -2.671 -0.772 -2.105) 3.487 2.779 ( 0.691 1.604 -1.580) 2.355 2.832 ( -2.543 -3.698 -0.965) 4.591 2.974 ( -1.875 -0.274 1.258) 2.275 3.166 ( -0.337 1.311 -9.782) 9.875 3.242 ( -0.452 -1.226 -3.490) 3.727 3.344 ( -2.070 3.087 -2.255) 4.348 3.511 ( -0.034 -0.565 -3.594) 3.638 3.692 ( 4.505 -8.772 -0.037) 9.861 3.782 ( 5.012 -5.720 2.585) 8.032 3.918 ( -2.466 -3.020 0.374) 3.916 4.039 ( 4.012 -0.093 -8.782) 9.656 4.124 ( -3.558 -1.419 1.336) 4.057 4.285 ( 0.642 -2.273 -2.398) 3.366 4.327 ( -1.816 1.396 2.372) 3.298 4.468 ( 1.410 -2.477 -0.008) 2.851 4.656 ( 4.888 -0.036 0.485) 4.912 4.835 ( -3.735 1.773 -4.817) 6.348 5.060 ( -2.165 3.244 4.067) 5.635 5.141 ( 3.060 1.316 2.973) 4.465 5.449 ( -3.018 -2.711 0.035) 4.057 5.581 ( 6.190 -5.327 -0.108) 8.167 5.685 ( -3.294 4.969 1.817) 6.233 5.814 ( 2.321 2.120 1.015) 3.304 5.853 ( -1.393 2.160 0.725) 2.671 5.943 ( 0.655 4.675 2.449) 5.318 6.091 ( -0.210 -0.451 2.696) 2.742 6.132 ( 0.305 0.747 0.517) 0.958 6.834 ( -8.032 0.251 -0.467) 8.049 6.901 ( 3.459 1.463 2.395) 4.455 7.077 ( -0.374 1.823 2.457) 3.082 7.116 ( 0.205 3.857 1.984) 4.342 10.993 ( 0.934 1.337 -0.939) 1.882 11.009 ( -0.811 0.792 -0.478) 1.230 11.180 ( -0.459 0.465 0.137) 0.668 11.214 ( -0.947 3.366 0.071) 3.497 11.383 ( 0.708 3.547 0.172) 3.621 11.449 ( 4.627 8.285 0.250) 9.493 11.636 ( -3.376 1.293 7.687) 8.495 11.741 ( 2.058 1.000 5.672) 6.116 12.949 ( -9.641 -9.978 -6.049) 15.136 13.168 ( 7.447 -12.245 -4.703) 15.084 13.808 ( -0.454 -0.555 -0.461) 0.853 13.812 ( 0.235 -0.721 -0.310) 0.819 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -9.137 2.883 -8.598) 12.874 1.021 ( -8.436 6.742 -0.319) 10.804 1.192 ( 2.726 -0.832 5.966) 6.612 1.307 ( 5.970 0.343 5.455) 8.094 1.409 ( 5.367 -1.652 -0.625) 5.650 1.473 ( 0.884 -1.121 2.618) 2.982 1.533 ( 1.503 -0.128 1.741) 2.304 1.569 ( 1.371 -0.202 -0.380) 1.437 1.699 ( 1.149 -0.535 -2.948) 3.209 1.728 ( 4.865 -0.957 -1.609) 5.213 1.921 ( -1.598 -4.501 -2.665) 5.469 2.042 ( -3.990 5.834 -7.666) 10.427 2.130 ( 2.484 1.337 -3.101) 4.192 2.257 ( -2.578 -2.712 2.473) 4.485 2.414 ( 0.155 1.154 2.119) 2.418 2.463 ( -0.997 -3.226 -2.689) 4.316 2.532 ( 0.279 -3.058 -1.382) 3.367 2.719 ( -4.128 -3.979 -2.720) 6.346 2.766 ( -0.309 0.295 1.276) 1.346 2.953 ( -4.545 2.128 -1.926) 5.375 3.050 ( 0.339 -0.185 -3.616) 3.636 3.230 ( 2.304 3.260 -1.316) 4.203 3.375 ( 5.523 3.493 -0.366) 6.545 3.454 ( -3.526 -2.220 0.052) 4.167 3.701 ( -5.467 -5.188 -0.011) 7.536 3.836 ( 4.896 -3.857 -4.201) 7.516 3.992 ( 3.801 1.032 2.181) 4.502 4.042 ( 0.439 2.414 0.010) 2.454 4.105 ( 3.237 -7.244 -0.311) 7.941 4.164 ( -4.978 2.679 -3.631) 6.719 4.385 ( 2.117 1.993 0.179) 2.913 4.493 ( 0.359 -0.514 0.541) 0.828 4.710 ( 3.898 -6.384 -2.139) 7.779 4.785 ( 0.891 -0.375 -0.139) 0.977 5.043 ( -4.138 2.984 1.907) 5.446 5.197 ( 1.417 -1.537 -0.283) 2.109 5.402 ( -2.276 -1.249 0.027) 2.597 5.652 ( 0.881 4.757 -2.034) 5.248 5.692 ( 3.731 -5.559 1.854) 6.947 5.872 ( 1.932 1.215 2.181) 3.156 5.881 ( 1.232 2.729 3.298) 4.455 5.949 ( 1.189 3.286 -0.421) 3.520 6.108 ( -0.454 0.220 0.503) 0.712 6.166 ( 1.744 0.375 1.950) 2.643 6.651 ( -10.886 0.436 -1.840) 11.049 7.003 ( 2.318 -0.604 4.039) 4.696 7.069 ( -2.625 1.614 0.919) 3.215 7.113 ( -2.700 3.933 1.313) 4.948 10.956 ( -1.491 1.811 -1.490) 2.779 11.027 ( 1.058 -0.016 0.440) 1.146 11.177 ( -1.361 1.743 0.063) 2.212 11.195 ( 0.411 0.172 0.029) 0.446 11.380 ( 0.264 4.089 -1.171) 4.262 11.531 ( 3.639 7.922 -0.678) 8.744 11.672 ( -1.826 4.542 7.002) 8.544 11.884 ( 4.910 -2.077 6.953) 8.762 12.662 ( -13.298 -7.607 -7.536) 17.073 13.260 ( 7.845 -11.501 -2.729) 14.186 13.794 ( -0.450 -0.479 -0.320) 0.731 13.813 ( 0.179 -0.462 -0.151) 0.518 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -9.023 8.986 -9.497) 15.886 0.778 ( -13.784 8.103 -3.022) 16.272 1.315 ( -0.318 -0.652 0.231) 0.761 1.386 ( -10.444 6.934 -0.286) 12.540 1.429 ( -1.322 -0.379 2.921) 3.228 1.463 ( -4.713 0.136 -0.289) 4.724 1.564 ( 2.117 1.937 0.476) 2.909 1.597 ( -1.111 1.946 3.197) 3.905 1.685 ( 4.832 -0.279 -3.010) 5.700 1.729 ( 10.710 -4.139 0.114) 11.483 1.906 ( 1.342 -5.319 -0.854) 5.552 1.997 ( 0.871 0.550 1.740) 2.022 2.106 ( 0.833 3.528 -4.231) 5.572 2.299 ( 1.061 -4.909 4.978) 7.072 2.403 ( -0.352 -0.475 -4.840) 4.876 2.489 ( -0.109 -3.278 1.932) 3.806 2.575 ( 7.986 -1.123 0.844) 8.108 2.693 ( 1.234 1.806 2.572) 3.376 2.789 ( 1.023 -3.310 -4.509) 5.686 2.868 ( -0.808 -2.821 3.107) 4.274 3.044 ( -0.073 2.513 -0.662) 2.599 3.274 ( 2.500 5.551 0.073) 6.088 3.375 ( -2.231 1.800 -1.729) 3.348 3.483 ( 2.953 1.563 1.278) 3.577 3.601 ( -4.778 -2.366 0.804) 5.392 3.829 ( -0.810 -0.058 -3.996) 4.078 3.972 ( -4.120 0.967 0.793) 4.305 4.036 ( -1.751 4.792 -0.700) 5.150 4.090 ( 0.225 2.408 1.135) 2.671 4.172 ( -0.477 0.866 0.760) 1.247 4.424 ( 3.386 -0.768 -1.944) 3.979 4.503 ( 0.898 0.565 0.929) 1.410 4.749 ( -3.977 -3.533 -0.564) 5.350 4.831 ( 8.728 -7.928 1.005) 11.834 4.973 ( -3.932 1.133 -0.290) 4.102 5.204 ( 2.008 -2.185 -2.561) 3.920 5.376 ( -1.519 0.583 1.305) 2.086 5.655 ( 3.206 7.779 -2.405) 8.751 5.767 ( 2.871 -7.992 1.287) 8.589 5.925 ( 0.636 1.142 1.947) 2.345 5.962 ( 5.015 -0.713 0.825) 5.132 6.002 ( 2.321 0.407 2.732) 3.607 6.092 ( 0.268 0.239 -1.706) 1.743 6.220 ( 2.515 -1.373 0.556) 2.919 6.447 ( -10.499 1.758 0.074) 10.646 6.975 ( -6.183 -1.396 -2.364) 6.766 7.027 ( -4.792 4.984 -0.619) 6.941 7.106 ( 0.340 -2.174 2.081) 3.029 10.921 ( -0.715 1.071 -1.129) 1.712 11.039 ( -0.295 -0.507 -0.086) 0.593 11.138 ( -1.882 1.756 -0.603) 2.643 11.232 ( 3.234 -2.622 -0.370) 4.180 11.376 ( 0.533 5.016 -0.287) 5.052 11.545 ( 0.206 4.069 -1.348) 4.291 11.741 ( 1.165 8.195 3.767) 9.094 12.019 ( 5.115 -3.106 -3.531) 6.948 12.382 ( -13.066 -2.886 4.338) 14.066 13.353 ( 5.803 -9.611 -1.729) 11.360 13.787 ( -0.279 -0.280 0.052) 0.399 13.813 ( -0.039 -0.144 0.014) 0.150 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -1.882 14.252 6.796) 15.901 0.554 ( -10.532 13.224 4.928) 17.609 1.092 ( -17.868 24.956 9.223) 32.049 1.212 ( -5.734 2.934 -2.864) 7.049 1.420 ( 2.334 -3.568 -7.345) 8.492 1.446 ( 2.772 -2.780 -4.190) 5.742 1.582 ( -1.465 2.550 -1.948) 3.528 1.709 ( 3.414 1.014 2.660) 4.446 1.737 ( 6.249 -0.547 -2.650) 6.810 1.880 ( 2.898 -7.346 3.997) 8.851 1.974 ( 1.865 -5.534 0.667) 5.878 2.029 ( 2.359 -5.190 7.665) 9.552 2.190 ( 3.876 -0.117 9.452) 10.216 2.314 ( -1.505 -3.826 2.949) 5.060 2.404 ( 2.741 -0.434 -2.720) 3.886 2.508 ( 0.068 -1.022 2.244) 2.466 2.650 ( -1.659 -2.280 2.030) 3.475 2.727 ( 1.179 5.709 -1.165) 5.945 2.827 ( 1.927 -3.155 -0.613) 3.747 2.888 ( 2.677 -4.415 -2.864) 5.904 3.020 ( -1.334 1.375 1.138) 2.229 3.261 ( -2.231 4.231 -1.544) 5.027 3.338 ( 0.847 6.483 -2.760) 7.097 3.530 ( 3.378 1.496 -0.401) 3.716 3.556 ( -3.364 1.574 0.097) 3.716 3.775 ( 0.905 3.328 -1.479) 3.752 3.911 ( -3.200 1.115 0.692) 3.458 4.011 ( -2.250 3.890 1.233) 4.660 4.102 ( -5.528 4.281 -1.253) 7.103 4.195 ( 3.456 -0.411 10.988) 11.526 4.443 ( 1.596 -0.321 -1.116) 1.974 4.516 ( -2.321 0.227 0.939) 2.514 4.669 ( -0.669 1.163 -1.562) 2.059 4.839 ( -7.035 -2.123 0.509) 7.366 5.065 ( 9.696 -5.923 -0.297) 11.366 5.207 ( 2.220 -1.997 -3.021) 4.247 5.397 ( 1.137 0.741 2.892) 3.195 5.684 ( 4.165 5.843 -7.491) 10.373 5.840 ( 4.726 -7.750 1.903) 9.275 5.941 ( 2.198 -0.258 -1.134) 2.487 6.033 ( 0.140 -2.345 0.837) 2.494 6.058 ( 2.977 -2.915 1.920) 4.588 6.130 ( 4.259 0.152 0.537) 4.296 6.256 ( 0.577 -1.677 -0.303) 1.800 6.335 ( -3.982 2.829 3.541) 6.033 6.746 ( -14.332 -1.685 -5.692) 15.512 6.909 ( -5.469 4.916 -3.063) 7.966 7.112 ( -0.537 -2.229 -1.425) 2.700 10.907 ( 0.297 0.839 -0.638) 1.095 11.014 ( -1.245 -1.588 -0.719) 2.142 11.117 ( -0.291 0.917 0.280) 1.002 11.273 ( 2.086 -1.070 -1.205) 2.636 11.408 ( 3.342 3.564 0.381) 4.901 11.533 ( 1.693 1.113 -2.496) 3.215 11.721 ( -6.848 -0.948 -2.564) 7.374 11.935 ( 3.104 4.391 -14.230) 15.212 12.409 ( -4.920 1.377 19.647) 20.301 13.418 ( 3.921 -5.268 -0.993) 6.641 13.784 ( -0.300 -0.147 0.334) 0.473 13.813 ( -0.147 0.042 0.153) 0.217 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 4.208 12.052 -0.419) 12.772 0.887 ( 4.394 10.621 6.826) 13.368 1.205 ( 0.834 3.177 -4.508) 5.578 1.254 ( 0.414 -3.540 -8.249) 8.987 1.380 ( 1.605 -2.241 -1.680) 3.228 1.491 ( -3.525 2.302 4.099) 5.876 1.532 ( -2.625 -0.846 -5.652) 6.289 1.637 ( 0.939 -2.294 -3.186) 4.037 1.723 ( 0.807 0.656 0.702) 1.255 1.840 ( -2.005 -2.443 0.681) 3.233 1.918 ( 2.657 -6.626 3.743) 8.060 2.068 ( -5.623 -0.798 8.213) 9.986 2.157 ( -1.144 -4.407 5.646) 7.253 2.356 ( -0.280 0.688 5.558) 5.607 2.416 ( 2.568 0.863 1.752) 3.226 2.567 ( -2.171 6.080 0.387) 6.468 2.635 ( 1.426 4.710 -3.488) 6.032 2.726 ( 0.097 -0.242 9.423) 9.426 2.833 ( 3.052 -2.122 -3.581) 5.162 3.000 ( -0.428 6.699 0.517) 6.732 3.132 ( 0.051 3.793 2.180) 4.375 3.296 ( 1.734 0.400 -0.476) 1.842 3.454 ( -2.827 7.195 2.942) 8.271 3.542 ( -1.233 3.730 -1.214) 4.112 3.671 ( 0.637 4.166 -0.409) 4.234 3.806 ( -1.194 -5.315 2.259) 5.897 3.955 ( 5.289 7.604 -1.727) 9.422 4.100 ( -2.181 6.213 -0.538) 6.606 4.148 ( 0.788 6.399 1.332) 6.584 4.299 ( -4.018 -3.973 12.275) 13.513 4.448 ( -0.160 -2.051 -0.030) 2.057 4.465 ( 1.964 -1.635 0.738) 2.659 4.701 ( 0.882 1.017 -4.621) 4.813 4.816 ( 0.308 1.033 0.619) 1.243 4.944 ( -1.765 -9.390 -0.168) 9.556 5.139 ( 1.066 -6.064 -1.514) 6.340 5.413 ( -2.020 0.934 -3.528) 4.171 5.584 ( 1.324 -4.184 -2.770) 5.190 5.812 ( 2.965 -1.548 -3.740) 5.017 5.894 ( -0.088 -2.013 -0.635) 2.112 5.971 ( -0.449 -1.532 -0.394) 1.644 6.021 ( -2.822 -3.285 -1.130) 4.476 6.109 ( -0.036 -3.298 2.104) 3.913 6.225 ( 0.254 -4.287 -2.004) 4.739 6.437 ( -0.823 7.765 1.651) 7.981 6.717 ( 1.731 4.411 2.806) 5.507 6.878 ( 0.908 1.067 -4.810) 5.010 7.022 ( -1.079 -1.585 -1.770) 2.610 10.946 ( 1.454 1.863 -0.600) 2.438 10.993 ( 1.076 0.150 0.111) 1.092 11.140 ( -0.682 1.346 0.504) 1.591 11.267 ( 0.100 -2.124 -1.865) 2.829 11.437 ( -0.859 -0.582 -1.158) 1.555 11.495 ( -1.072 1.743 -3.063) 3.684 11.591 ( 2.626 -1.451 0.247) 3.010 11.826 ( -1.202 -3.330 -9.985) 10.594 12.736 ( -1.373 10.733 14.258) 17.899 13.354 ( 0.466 -5.756 -0.975) 5.857 13.785 ( -0.011 0.095 0.524) 0.533 13.811 ( -0.003 -0.233 0.037) 0.236 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 9.186 5.401 -0.045) 10.656 1.060 ( 4.717 5.194 7.298) 10.124 1.164 ( 1.710 2.640 -6.435) 7.163 1.213 ( 3.175 -0.531 -2.017) 3.799 1.339 ( -1.785 -2.143 -6.547) 7.117 1.417 ( -3.099 -1.594 -3.187) 4.723 1.461 ( -1.998 0.270 -1.802) 2.704 1.611 ( -0.953 -4.266 -3.748) 5.758 1.700 ( -5.156 -2.824 2.435) 6.362 1.803 ( -1.296 -0.851 2.635) 3.058 1.972 ( -3.626 -8.276 6.118) 10.911 2.037 ( -2.026 -6.486 -0.656) 6.827 2.273 ( 0.993 8.092 9.630) 12.618 2.389 ( -0.846 4.155 3.583) 5.552 2.483 ( 1.897 3.900 0.606) 4.379 2.520 ( -2.109 3.813 -0.150) 4.360 2.588 ( -2.568 2.363 -4.544) 5.730 2.787 ( -1.903 1.022 -0.776) 2.295 2.900 ( 0.404 -2.096 10.633) 10.845 2.980 ( -1.211 4.812 0.231) 4.967 3.140 ( -2.988 2.606 3.973) 5.613 3.282 ( -0.613 -0.876 -2.637) 2.846 3.452 ( -0.634 6.772 1.932) 7.071 3.563 ( 2.636 2.388 4.431) 5.682 3.604 ( -4.897 4.011 -2.159) 6.688 3.814 ( -0.416 -4.880 0.858) 4.972 4.056 ( 6.189 5.644 -2.385) 8.709 4.080 ( 0.684 6.727 -0.166) 6.764 4.216 ( 1.613 5.967 5.110) 8.020 4.314 ( -6.926 -2.212 8.833) 11.441 4.424 ( -2.927 -4.880 -0.905) 5.762 4.519 ( -0.464 -0.912 0.071) 1.025 4.660 ( 2.261 -0.215 -1.186) 2.562 4.842 ( 0.559 -3.695 1.283) 3.951 4.922 ( 0.534 -3.564 -0.826) 3.698 5.091 ( -0.783 -6.774 -6.189) 9.209 5.368 ( 0.760 2.622 -0.078) 2.731 5.593 ( 4.355 -0.420 -4.648) 6.383 5.757 ( -5.374 -3.265 -0.971) 6.363 5.876 ( -2.898 -4.499 -2.223) 5.795 5.934 ( -2.937 -0.497 0.033) 2.979 5.985 ( 2.014 0.539 0.597) 2.169 6.099 ( -2.758 -2.543 0.533) 3.789 6.164 ( -2.849 -3.103 -2.643) 4.973 6.530 ( 6.325 4.891 4.587) 9.218 6.805 ( 7.440 -0.857 -4.051) 8.514 6.901 ( 3.890 2.251 -0.812) 4.567 6.994 ( 2.112 2.143 -2.911) 4.187 10.974 ( 1.731 2.222 -0.123) 2.820 11.006 ( 1.412 0.477 -1.533) 2.138 11.136 ( -0.134 1.104 0.490) 1.215 11.218 ( -2.193 -1.629 -1.391) 3.065 11.424 ( 0.755 1.534 -0.691) 1.844 11.508 ( 3.905 1.415 -0.942) 4.259 11.642 ( 1.109 -3.677 -6.371) 7.439 11.725 ( 4.165 -0.515 -2.521) 4.896 12.837 ( -6.347 6.506 13.939) 16.641 13.281 ( -5.557 -5.955 -3.030) 8.690 13.793 ( 0.034 0.042 0.577) 0.579 13.811 ( -0.023 -0.275 -0.046) 0.280 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 1.725 -0.371 -3.326) 3.765 1.161 ( -0.125 -2.491 -6.225) 6.707 1.205 ( 5.296 3.485 0.165) 6.342 1.206 ( -0.531 0.703 -2.888) 3.020 1.283 ( 4.693 4.314 2.618) 6.891 1.357 ( -2.758 -1.605 2.160) 3.853 1.410 ( -0.228 0.632 -0.412) 0.788 1.517 ( -2.782 -0.231 -3.427) 4.420 1.680 ( 0.359 -3.877 0.808) 3.976 1.824 ( -2.934 -4.028 2.785) 5.709 1.937 ( -6.141 -4.528 1.971) 7.881 2.006 ( -1.525 -8.924 1.135) 9.124 2.310 ( -2.953 3.527 -3.404) 5.723 2.366 ( -3.732 6.258 2.822) 7.814 2.470 ( -2.348 0.418 -1.486) 2.810 2.502 ( -1.117 2.464 1.727) 3.209 2.540 ( 0.893 1.431 1.727) 2.414 2.762 ( -1.689 7.311 -0.243) 7.507 2.957 ( -2.920 1.038 3.564) 4.723 2.987 ( 1.850 -1.846 -2.043) 3.318 3.147 ( -2.193 1.800 6.820) 7.386 3.253 ( 1.028 -1.548 -2.275) 2.937 3.470 ( 0.733 1.838 0.408) 2.020 3.511 ( -1.537 4.894 -3.235) 6.064 3.702 ( -0.611 -1.397 8.603) 8.737 3.800 ( 0.814 -5.031 -0.736) 5.150 4.019 ( -6.217 1.274 1.822) 6.602 4.143 ( 2.441 4.015 1.852) 5.051 4.266 ( -4.762 -4.044 -1.666) 6.466 4.291 ( -2.293 1.617 7.463) 7.973 4.385 ( 0.442 1.180 -1.377) 1.867 4.430 ( -1.918 1.578 -6.756) 7.198 4.730 ( -0.818 -5.482 4.415) 7.087 4.885 ( 1.649 -2.920 5.106) 6.109 4.922 ( 2.990 2.426 -4.355) 5.813 5.041 ( 3.162 -1.572 -4.295) 5.560 5.421 ( 2.635 3.207 3.374) 5.350 5.558 ( -0.432 1.231 -9.116) 9.209 5.697 ( -1.969 -4.196 3.836) 6.017 5.756 ( -3.154 -5.325 -4.898) 7.893 5.907 ( -2.986 0.190 2.170) 3.696 6.030 ( -0.304 0.549 0.393) 0.741 6.046 ( -2.260 -1.872 0.272) 2.947 6.111 ( 0.508 -0.618 -1.921) 2.081 6.715 ( 7.571 2.270 4.806) 9.250 6.876 ( 6.784 -2.150 -3.310) 7.848 6.943 ( 2.667 5.030 -1.072) 5.793 7.030 ( 4.501 3.804 -2.515) 6.408 10.975 ( 1.027 1.707 -2.493) 3.191 11.034 ( 2.515 1.268 -0.154) 2.820 11.153 ( 1.630 1.464 0.156) 2.196 11.186 ( -0.635 -0.043 0.638) 0.901 11.416 ( 0.054 1.351 -2.098) 2.496 11.551 ( 1.000 0.307 -2.971) 3.150 11.595 ( 3.309 3.061 -0.213) 4.513 11.806 ( 3.703 1.636 -0.375) 4.066 12.865 ( -7.007 -2.362 10.323) 12.698 13.117 ( -7.697 -8.579 -4.234) 12.278 13.800 ( 0.029 -0.193 0.450) 0.490 13.809 ( -0.222 -0.435 -0.075) 0.494 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -4.691 0.511 -2.346) 5.269 1.094 ( 1.096 -2.018 -1.084) 2.539 1.176 ( 0.777 2.107 -2.050) 3.041 1.276 ( 1.491 3.330 0.878) 3.753 1.318 ( -1.062 4.647 3.755) 6.068 1.398 ( -1.091 1.526 -0.749) 2.020 1.451 ( 3.555 -0.319 0.333) 3.585 1.520 ( 6.269 -2.811 0.754) 6.912 1.666 ( -5.697 -2.269 -2.223) 6.523 1.738 ( -4.638 -0.745 1.920) 5.075 1.843 ( -4.053 -5.437 -3.179) 7.490 1.993 ( -2.248 -8.116 1.937) 8.642 2.229 ( -1.235 3.031 -2.895) 4.370 2.352 ( 0.825 1.996 1.980) 2.930 2.441 ( -0.107 -0.647 1.464) 1.604 2.545 ( 1.137 -0.778 2.655) 2.991 2.575 ( 2.976 1.316 -1.591) 3.622 2.713 ( -1.443 3.480 -2.534) 4.541 2.884 ( -4.932 1.731 -2.556) 5.819 2.993 ( 0.977 -5.139 -0.577) 5.263 3.188 ( -3.507 -4.805 3.871) 7.097 3.251 ( 1.920 -0.055 -2.339) 3.026 3.432 ( -2.267 -1.356 -5.616) 6.206 3.475 ( -3.734 -4.257 3.149) 6.479 3.689 ( -3.688 -3.370 2.455) 5.566 3.831 ( 3.178 2.117 -4.204) 5.679 3.994 ( -3.274 2.336 6.947) 8.027 4.117 ( -2.547 -3.983 -7.733) 9.063 4.202 ( 0.079 4.286 2.494) 4.959 4.281 ( -2.931 0.668 -4.628) 5.519 4.353 ( -1.630 -0.136 0.193) 1.647 4.375 ( -0.835 -2.512 0.687) 2.735 4.725 ( -1.265 1.851 0.028) 2.242 4.937 ( 4.548 2.146 -3.374) 6.056 5.004 ( 3.280 -1.046 4.277) 5.490 5.063 ( 1.787 1.011 -0.212) 2.064 5.448 ( -2.251 -2.246 -3.012) 4.380 5.495 ( -1.719 1.421 2.493) 3.345 5.661 ( 3.452 -1.416 -0.725) 3.801 5.779 ( 0.190 -0.901 4.954) 5.039 5.882 ( -1.017 -0.387 -0.368) 1.149 5.986 ( -2.977 -1.458 2.024) 3.884 6.035 ( -1.112 2.352 -0.220) 2.611 6.115 ( 1.200 -0.113 -0.959) 1.541 6.882 ( 6.054 0.451 1.995) 6.390 6.931 ( 3.469 0.398 -3.101) 4.670 7.008 ( 3.803 4.834 2.304) 6.568 7.065 ( 2.469 4.597 -0.323) 5.228 10.971 ( 1.830 1.753 -2.095) 3.288 11.064 ( 1.684 0.640 -1.405) 2.285 11.196 ( 2.965 2.925 1.120) 4.313 11.216 ( 0.675 0.807 3.299) 3.463 11.394 ( -0.079 2.906 -0.717) 2.994 11.556 ( 2.015 3.452 -0.769) 4.070 11.640 ( 1.323 4.987 -0.637) 5.199 11.827 ( -1.613 6.126 1.844) 6.598 12.843 ( -4.002 -12.963 1.114) 13.613 12.948 ( -6.651 -12.327 -2.013) 14.151 13.799 ( -0.189 -0.630 -0.257) 0.706 13.807 ( -0.121 -0.592 0.226) 0.645 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.171 3.752 4.151) 5.598 1.097 ( -2.836 -0.020 3.187) 4.266 1.189 ( 2.566 2.341 -0.796) 3.563 1.314 ( 2.614 3.900 0.731) 4.751 1.347 ( -2.938 2.457 0.166) 3.833 1.399 ( 1.677 4.526 1.720) 5.124 1.424 ( -3.025 1.783 0.905) 3.626 1.543 ( -1.352 -5.091 -3.939) 6.578 1.614 ( 1.638 -2.560 -1.726) 3.495 1.710 ( -2.673 -3.120 -2.462) 4.790 1.774 ( 3.970 -2.259 0.995) 4.675 1.972 ( -2.646 -7.082 1.254) 7.664 2.221 ( 2.258 0.899 -0.164) 2.436 2.362 ( -2.453 1.699 0.803) 3.090 2.478 ( -1.570 2.776 -1.046) 3.356 2.605 ( 4.024 -6.470 -1.899) 7.852 2.621 ( 7.578 1.347 -0.359) 7.705 2.678 ( -1.377 -0.957 -0.188) 1.687 2.757 ( -2.212 -1.869 -5.216) 5.966 2.965 ( -5.216 -6.193 -0.373) 8.105 3.125 ( -4.829 -10.793 1.381) 11.904 3.255 ( 1.900 -0.164 -2.723) 3.325 3.364 ( 1.174 -3.240 -2.739) 4.402 3.443 ( -2.424 -7.452 2.952) 8.374 3.621 ( -3.161 0.875 -4.133) 5.276 3.807 ( -1.549 1.306 -8.258) 8.503 3.922 ( 2.215 3.509 -7.791) 8.827 4.105 ( -0.066 -0.600 -3.730) 3.779 4.178 ( -3.606 0.326 3.347) 4.931 4.230 ( 1.068 -0.154 -4.623) 4.748 4.251 ( -1.436 -1.784 1.424) 2.697 4.433 ( 0.716 -0.850 3.383) 3.561 4.705 ( 0.137 6.179 -1.748) 6.423 4.937 ( 1.223 -1.024 -6.248) 6.448 5.092 ( 1.107 0.062 2.877) 3.083 5.107 ( 1.432 3.076 3.910) 5.177 5.401 ( -0.194 -3.832 -0.865) 3.933 5.463 ( -1.460 -2.024 -0.072) 2.497 5.773 ( -0.311 2.418 5.762) 6.257 5.820 ( 1.661 2.263 1.200) 3.053 5.883 ( -0.589 0.241 4.401) 4.447 5.989 ( -1.768 3.364 3.039) 4.866 6.028 ( 0.573 -0.402 2.749) 2.837 6.129 ( 1.173 -0.046 -0.027) 1.174 6.888 ( 0.613 0.635 -4.549) 4.634 6.977 ( 0.586 -1.414 -3.498) 3.818 7.071 ( 1.611 6.574 5.485) 8.711 7.153 ( 2.404 4.594 4.573) 6.914 10.986 ( 1.987 1.603 -1.040) 2.757 11.061 ( 0.718 0.382 -2.105) 2.257 11.263 ( -1.644 2.381 4.852) 5.649 11.279 ( 2.123 5.381 3.808) 6.926 11.397 ( 1.415 3.782 -0.379) 4.056 11.581 ( 1.673 6.416 -0.775) 6.676 11.643 ( 1.082 4.113 -0.094) 4.254 11.814 ( -3.776 7.727 4.004) 9.487 12.781 ( 1.559 -18.716 -5.300) 19.514 12.832 ( -5.592 -15.972 -2.032) 17.044 13.794 ( 0.028 -0.808 -0.321) 0.870 13.804 ( -0.247 -0.772 -0.221) 0.840 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 3.358 5.041 4.409) 7.492 1.081 ( -2.113 1.756 0.671) 2.828 1.212 ( -3.183 0.984 2.433) 4.125 1.267 ( 3.121 2.087 -3.788) 5.334 1.322 ( -2.769 -1.117 -0.811) 3.094 1.431 ( -0.607 1.361 1.244) 1.941 1.500 ( 4.671 2.061 3.448) 6.161 1.556 ( 3.351 -2.163 2.399) 4.655 1.560 ( 0.581 -0.068 -3.836) 3.880 1.671 ( 1.000 -1.012 -0.001) 1.423 1.893 ( 0.296 -3.352 0.455) 3.396 1.947 ( 2.612 -7.284 2.084) 8.014 2.247 ( 0.795 0.523 -3.265) 3.400 2.311 ( 0.527 4.212 -3.291) 5.371 2.433 ( -2.064 3.066 2.136) 4.269 2.502 ( -6.449 -3.575 -4.515) 8.646 2.595 ( -5.192 0.325 -2.767) 5.892 2.732 ( -0.277 -5.505 -4.418) 7.064 2.791 ( 4.404 -0.572 0.210) 4.446 2.909 ( 5.673 -5.374 0.405) 7.825 3.065 ( -4.334 -7.997 -1.662) 9.246 3.257 ( 2.709 0.452 -3.151) 4.180 3.377 ( 3.246 -3.836 -0.979) 5.119 3.454 ( -0.368 -4.343 -3.279) 5.455 3.551 ( 2.729 -3.205 -1.316) 4.411 3.669 ( -0.481 -0.631 -3.959) 4.038 3.859 ( -0.526 -1.408 -8.647) 8.776 4.032 ( 3.715 -0.265 -5.404) 6.563 4.141 ( -2.419 0.399 0.252) 2.464 4.232 ( -1.486 0.344 -0.334) 1.561 4.335 ( 5.651 0.611 3.475) 6.661 4.465 ( 0.560 -1.164 0.177) 1.304 4.684 ( -1.234 3.420 -0.657) 3.695 4.859 ( -0.794 0.479 -5.849) 5.922 5.111 ( -1.999 0.843 2.700) 3.463 5.167 ( 0.081 0.923 2.740) 2.893 5.409 ( -0.171 -1.492 -1.113) 1.869 5.460 ( 3.276 -5.076 -0.810) 6.096 5.786 ( -3.089 4.516 4.689) 7.205 5.859 ( 0.131 2.505 1.109) 2.743 5.910 ( -1.606 2.109 4.233) 4.994 6.036 ( 0.284 3.759 4.380) 5.779 6.084 ( -0.092 -0.371 3.375) 3.396 6.148 ( 0.421 0.550 1.259) 1.437 6.824 ( -4.447 -0.330 -2.464) 5.095 6.926 ( 1.210 -0.325 -3.004) 3.255 7.144 ( -1.834 4.807 5.197) 7.313 7.220 ( -0.329 4.684 3.341) 5.763 11.009 ( 1.350 1.017 -0.089) 1.693 11.042 ( -0.036 1.152 -2.126) 2.418 11.249 ( -4.514 5.172 2.247) 7.223 11.315 ( -2.800 6.020 3.898) 7.699 11.449 ( 2.285 1.966 0.600) 3.074 11.625 ( 3.132 5.533 3.597) 7.305 11.671 ( 0.125 4.482 0.917) 4.577 11.817 ( 0.374 6.400 3.263) 7.194 12.661 ( -7.083 -15.969 -6.572) 18.664 12.820 ( 8.479 -19.089 -4.324) 21.330 13.793 ( 0.057 -0.719 -0.402) 0.825 13.795 ( 0.028 -0.748 -0.330) 0.818 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -2.463 8.169 -9.062) 12.446 1.130 ( -4.458 2.800 0.022) 5.264 1.167 ( -0.210 -1.527 1.580) 2.207 1.290 ( 5.183 -1.170 0.926) 5.393 1.377 ( 6.451 -2.224 0.925) 6.886 1.466 ( -2.101 0.843 5.173) 5.647 1.517 ( -1.701 0.258 2.265) 2.844 1.550 ( 4.949 -2.230 -3.214) 6.309 1.677 ( 1.911 -0.873 2.941) 3.614 1.733 ( 0.041 0.330 2.600) 2.621 1.833 ( -2.640 -3.095 0.194) 4.073 2.066 ( 4.488 -5.893 2.665) 7.872 2.182 ( -1.153 6.035 -8.031) 10.112 2.274 ( 0.794 2.192 -7.771) 8.114 2.397 ( -0.484 -1.320 0.209) 1.421 2.451 ( 1.354 3.959 0.553) 4.221 2.488 ( -1.054 -0.652 -0.692) 1.420 2.650 ( -0.085 -2.606 -5.013) 5.651 2.802 ( -0.666 2.057 -0.462) 2.211 2.932 ( -5.853 -2.193 -1.548) 6.439 3.053 ( 5.049 -0.116 1.307) 5.217 3.292 ( 3.592 0.547 -0.775) 3.715 3.364 ( 0.863 -2.220 -4.068) 4.714 3.477 ( 2.287 -2.101 2.105) 3.752 3.574 ( 0.644 -2.633 0.722) 2.805 3.738 ( 5.991 -5.202 -6.584) 10.310 3.827 ( 10.974 -10.247 -1.050) 15.051 4.052 ( 0.301 -2.783 0.515) 2.846 4.103 ( -0.761 3.886 -1.446) 4.216 4.200 ( -0.480 3.476 -1.471) 3.804 4.436 ( 0.552 1.458 0.133) 1.565 4.479 ( 3.830 -2.904 -0.163) 4.809 4.636 ( -2.734 1.498 -0.792) 3.216 4.802 ( 0.169 0.878 -2.420) 2.580 5.098 ( -3.434 1.543 2.505) 4.522 5.172 ( -1.321 -0.392 0.149) 1.386 5.381 ( -0.608 -1.048 -0.784) 1.443 5.527 ( 4.665 -6.367 -0.896) 7.944 5.772 ( -1.855 5.279 0.742) 5.644 5.890 ( 0.048 0.826 4.624) 4.698 5.954 ( -0.422 1.241 4.658) 4.839 6.021 ( -2.584 4.259 -1.972) 5.358 6.107 ( -0.971 -0.755 1.854) 2.225 6.179 ( -0.174 0.654 2.341) 2.437 6.678 ( -7.350 2.384 -3.094) 8.323 6.963 ( 2.573 -3.284 1.736) 4.519 7.122 ( -5.994 3.954 2.291) 7.538 7.216 ( -3.769 4.147 1.773) 5.877 11.001 ( -1.186 1.870 -1.940) 2.944 11.031 ( 0.673 0.526 -0.361) 0.927 11.206 ( -2.388 2.871 1.436) 4.001 11.280 ( -5.668 5.193 2.465) 8.073 11.463 ( 0.808 2.972 -0.922) 3.215 11.649 ( -1.710 4.591 -0.374) 4.914 11.782 ( 3.115 -1.206 9.970) 10.515 11.891 ( 2.591 7.393 1.988) 8.083 12.451 ( -4.589 -10.612 -9.239) 14.800 12.954 ( 10.898 -15.933 -2.163) 19.424 13.784 ( -0.123 -0.360 -0.389) 0.544 13.800 ( 0.508 -0.655 -0.076) 0.832 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -0.422 13.758 -8.996) 16.444 0.972 ( -7.827 9.400 -1.575) 12.333 1.252 ( 1.832 -3.997 1.880) 4.782 1.344 ( 1.381 -2.413 -1.209) 3.032 1.423 ( -2.409 -0.859 0.190) 2.565 1.539 ( 4.434 -4.233 3.605) 7.112 1.579 ( 4.888 -3.669 1.869) 6.391 1.602 ( 3.212 -2.656 -2.224) 4.725 1.685 ( -6.427 4.268 3.105) 8.316 1.704 ( 0.557 2.367 -0.622) 2.510 1.830 ( 0.436 -0.866 0.924) 1.339 2.041 ( -1.464 3.355 -4.779) 6.020 2.154 ( 1.192 -5.849 -0.083) 5.969 2.177 ( -2.419 -0.938 -1.267) 2.888 2.423 ( 1.566 1.793 -1.653) 2.898 2.503 ( 4.070 6.457 1.353) 7.752 2.556 ( 6.015 1.486 0.128) 6.197 2.645 ( 3.887 -2.632 -1.353) 4.885 2.830 ( 2.753 2.551 3.173) 4.915 2.867 ( -2.765 3.057 2.046) 4.602 3.081 ( -1.194 0.814 -0.545) 1.545 3.307 ( -0.001 -3.804 -1.982) 4.290 3.398 ( 5.695 2.989 -1.897) 6.706 3.527 ( 1.642 2.796 2.661) 4.194 3.584 ( 0.411 0.143 -0.442) 0.620 3.758 ( 3.375 -5.853 -2.754) 7.296 4.008 ( 2.934 -3.724 -1.398) 4.943 4.041 ( 0.246 -3.585 1.407) 3.859 4.135 ( 4.867 -0.461 2.868) 5.668 4.187 ( 0.004 5.755 -0.592) 5.785 4.408 ( -0.064 -0.963 -2.463) 2.645 4.522 ( -1.550 0.880 2.438) 3.020 4.632 ( 4.078 -1.806 -1.273) 4.638 4.792 ( 0.598 -0.604 -0.719) 1.114 5.040 ( -4.738 3.639 0.005) 5.974 5.144 ( -0.813 -3.055 -0.772) 3.254 5.384 ( 0.723 0.079 1.309) 1.498 5.581 ( 2.733 -6.664 -0.781) 7.245 5.767 ( 1.626 3.274 -1.715) 4.038 5.950 ( -0.034 0.096 4.644) 4.646 5.967 ( -0.194 2.277 -0.747) 2.404 5.992 ( -0.811 -1.270 2.276) 2.730 6.089 ( -1.137 -1.311 -1.188) 2.103 6.178 ( -0.254 -2.503 -1.065) 2.732 6.540 ( -5.810 6.812 0.104) 8.954 6.992 ( -9.413 1.535 -0.750) 9.567 7.020 ( 0.662 -3.220 0.890) 3.406 7.136 ( -6.606 2.963 0.250) 7.245 10.959 ( -0.596 2.145 -1.905) 2.930 11.024 ( -0.836 -0.440 -0.789) 1.231 11.186 ( -3.258 2.406 0.739) 4.117 11.222 ( -0.513 1.382 0.500) 1.557 11.465 ( -0.447 3.278 0.260) 3.319 11.610 ( -2.026 2.866 -0.450) 3.539 11.860 ( -6.975 0.027 -0.807) 7.022 11.926 ( 2.275 -5.854 2.381) 6.716 12.382 ( 4.793 5.422 0.098) 7.238 13.123 ( 10.405 -11.388 -0.473) 15.433 13.781 ( 0.025 -0.104 -0.039) 0.114 13.807 ( 0.304 -0.430 0.021) 0.527 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 3.005 16.126 -2.004) 16.525 0.854 ( -4.464 13.504 0.830) 14.247 1.258 ( -0.549 0.640 -2.695) 2.824 1.320 ( 0.301 -3.897 -3.595) 5.310 1.388 ( 1.624 -2.292 -4.860) 5.613 1.520 ( -6.950 6.050 4.391) 10.207 1.618 ( -0.234 -4.843 -1.889) 5.204 1.654 ( 0.441 3.375 -0.975) 3.540 1.683 ( 3.679 -0.257 -2.847) 4.659 1.771 ( 4.935 -4.908 5.350) 8.779 1.851 ( 2.706 -4.656 -0.508) 5.409 2.026 ( -1.279 1.664 4.418) 4.891 2.160 ( -3.481 -4.490 4.326) 7.141 2.211 ( 1.542 -4.249 9.305) 10.345 2.418 ( 0.597 4.241 -2.798) 5.116 2.564 ( 1.255 4.782 1.326) 5.119 2.644 ( 1.755 2.718 3.600) 4.840 2.707 ( 0.672 -0.143 -2.501) 2.593 2.803 ( 0.859 -2.378 -4.307) 4.994 2.950 ( 4.951 6.556 1.903) 8.433 3.087 ( 1.308 4.707 2.281) 5.391 3.276 ( 1.191 -1.240 -2.773) 3.263 3.455 ( 0.427 4.611 1.679) 4.925 3.577 ( -0.077 1.573 -1.364) 2.083 3.611 ( 4.441 4.579 0.842) 6.434 3.783 ( 0.509 -4.511 1.954) 4.943 3.956 ( -4.159 4.587 1.428) 6.354 4.114 ( 4.108 0.260 -0.441) 4.139 4.165 ( -3.630 2.667 0.904) 4.594 4.206 ( 0.191 3.153 3.954) 5.061 4.414 ( 2.865 -2.227 -1.077) 3.785 4.502 ( -4.970 -1.348 2.614) 5.775 4.688 ( 4.424 -0.156 -2.539) 5.103 4.815 ( 1.110 -3.066 0.675) 3.330 4.969 ( -2.096 -0.400 -0.567) 2.208 5.134 ( 0.850 -4.618 -1.253) 4.860 5.430 ( 1.845 1.831 1.032) 2.797 5.602 ( 0.140 -9.092 -0.311) 9.098 5.779 ( 5.111 2.381 -5.123) 7.618 5.937 ( -1.407 -0.165 -3.216) 3.514 5.981 ( -1.544 -2.341 1.688) 3.273 6.012 ( 1.839 -1.346 1.315) 2.631 6.080 ( 0.474 -3.992 1.527) 4.300 6.194 ( 4.023 -4.224 -1.498) 6.023 6.476 ( -3.931 9.010 1.742) 9.983 6.786 ( -10.982 4.122 -0.666) 11.749 6.977 ( -4.202 -0.098 -4.208) 5.948 7.055 ( -2.253 -2.132 0.746) 3.191 10.941 ( 0.718 1.939 -1.437) 2.518 10.992 ( -1.191 -0.290 -0.439) 1.302 11.148 ( -1.219 1.931 0.242) 2.296 11.251 ( 2.574 -0.945 -0.425) 2.774 11.451 ( -1.153 1.461 0.207) 1.873 11.573 ( -0.804 2.441 -1.598) 3.026 11.665 ( -9.673 -3.576 -3.467) 10.880 11.933 ( 1.217 -5.098 -6.619) 8.443 12.552 ( 4.293 11.615 11.133) 16.652 13.283 ( 7.431 -7.494 0.518) 10.566 13.782 ( -0.119 0.033 0.265) 0.292 13.811 ( 0.038 -0.272 0.064) 0.282 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 1.297 6.485 -5.252) 8.446 1.075 ( 4.284 5.722 -5.781) 9.193 1.179 ( -0.480 -2.264 -2.285) 3.252 1.241 ( 3.567 -3.067 -5.909) 7.552 1.338 ( 0.466 0.058 -1.290) 1.373 1.401 ( -2.456 -5.143 1.045) 5.794 1.519 ( 0.391 3.264 -4.997) 5.981 1.617 ( 0.590 -3.298 -6.286) 7.123 1.759 ( -3.801 1.354 4.503) 6.046 1.791 ( -0.161 -2.836 1.463) 3.195 1.802 ( 0.101 0.957 0.050) 0.963 1.934 ( -5.587 -8.643 1.132) 10.353 2.186 ( 2.518 3.935 14.296) 15.040 2.287 ( 3.289 -5.035 13.304) 14.600 2.557 ( 0.392 7.496 -1.712) 7.699 2.674 ( 0.355 -2.886 -2.162) 3.624 2.743 ( 0.248 2.737 1.202) 3.000 2.783 ( 1.623 0.011 1.850) 2.461 2.873 ( -1.727 15.890 3.348) 16.331 3.087 ( -0.183 -0.478 2.575) 2.626 3.190 ( -0.278 1.842 -1.964) 2.707 3.263 ( -0.437 -4.524 -0.763) 4.608 3.543 ( -1.427 2.281 2.382) 3.593 3.618 ( 0.957 -2.796 3.024) 4.228 3.727 ( -2.959 4.323 1.537) 5.460 3.773 ( -0.296 2.685 0.994) 2.879 4.098 ( 4.585 5.201 -0.284) 6.939 4.189 ( 1.160 -2.522 2.402) 3.670 4.234 ( 4.016 2.694 3.315) 5.863 4.253 ( -2.134 1.154 3.106) 3.941 4.411 ( -4.046 0.871 2.015) 4.603 4.457 ( 0.894 0.698 -0.969) 1.491 4.645 ( 0.698 -5.504 -1.957) 5.883 4.674 ( -3.290 -7.950 -0.320) 8.610 4.921 ( 0.385 3.236 -2.616) 4.179 5.007 ( 0.540 -5.102 -3.163) 6.027 5.451 ( -0.999 2.412 -1.437) 2.980 5.506 ( 1.258 -2.759 0.665) 3.104 5.819 ( -0.496 1.367 -3.732) 4.006 5.858 ( -1.262 -1.871 -1.783) 2.876 5.954 ( 0.325 0.198 0.183) 0.423 5.981 ( 0.072 -1.049 -0.811) 1.328 6.055 ( 0.890 -0.126 1.201) 1.500 6.120 ( 0.725 -4.853 -0.697) 4.956 6.610 ( -0.342 7.750 -2.778) 8.240 6.741 ( 0.083 -3.509 -3.884) 5.235 6.909 ( 0.293 3.248 1.150) 3.459 6.981 ( -0.446 -2.668 1.003) 2.885 10.984 ( 1.433 1.451 -0.234) 2.053 11.000 ( 1.253 0.003 0.206) 1.270 11.175 ( -0.884 1.889 0.136) 2.090 11.219 ( -0.689 -2.205 -0.915) 2.485 11.450 ( -0.484 1.613 -0.939) 1.928 11.493 ( -0.363 -1.838 -1.403) 2.340 11.609 ( 0.734 3.404 -3.303) 4.800 11.714 ( -0.352 -5.917 -6.551) 8.834 12.983 ( -0.346 11.396 7.731) 13.775 13.201 ( -0.121 -8.697 2.745) 9.120 13.791 ( 0.042 0.451 0.340) 0.566 13.803 ( 0.028 -0.548 0.116) 0.561 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.050 2.239 -6.189) 7.728 1.095 ( 2.537 -2.271 -1.662) 3.789 1.172 ( 2.120 -0.440 -1.206) 2.479 1.213 ( 4.195 -3.941 -9.129) 10.792 1.316 ( 0.384 3.615 -1.870) 4.088 1.374 ( -2.976 -1.661 1.650) 3.786 1.495 ( 1.844 3.865 -2.943) 5.197 1.573 ( 1.818 -1.826 -4.421) 5.117 1.696 ( -6.242 2.255 2.354) 7.042 1.765 ( -3.868 -3.070 1.695) 5.221 1.816 ( -1.832 -2.916 4.963) 6.041 1.882 ( -2.771 -6.811 1.466) 7.498 2.395 ( 3.129 3.288 8.768) 9.873 2.453 ( 1.074 0.064 4.438) 4.567 2.521 ( -1.319 2.616 -2.688) 3.976 2.592 ( -4.225 -2.083 -5.182) 7.003 2.747 ( -2.591 8.442 1.895) 9.032 2.822 ( 0.871 -0.061 3.663) 3.766 2.955 ( -0.094 10.784 11.063) 15.449 3.076 ( -4.382 3.005 1.429) 5.502 3.154 ( -2.640 -0.718 0.279) 2.750 3.235 ( -2.353 -5.761 0.896) 6.287 3.540 ( -0.931 2.126 1.325) 2.672 3.629 ( -0.057 -3.948 -0.503) 3.980 3.660 ( -4.936 5.767 0.933) 7.648 3.741 ( -5.097 -0.205 -0.512) 5.127 4.110 ( -6.318 1.577 4.445) 7.885 4.196 ( -8.690 -5.504 8.820) 13.550 4.232 ( 1.363 5.887 -0.299) 6.050 4.301 ( -0.288 -0.468 0.450) 0.710 4.424 ( 2.439 4.325 -0.062) 4.966 4.493 ( 2.416 -1.438 -0.513) 2.858 4.606 ( -1.039 -2.755 -0.236) 2.954 4.675 ( 2.197 -8.041 2.241) 8.632 4.938 ( 5.449 2.347 -3.893) 7.096 4.992 ( 4.440 -2.782 -5.557) 7.638 5.448 ( 0.828 4.463 1.498) 4.780 5.541 ( 2.115 -3.890 1.302) 4.615 5.728 ( -3.964 0.856 -5.221) 6.611 5.784 ( -3.116 -3.926 -5.057) 7.120 5.953 ( -1.164 2.198 0.880) 2.639 6.003 ( 1.880 -0.668 0.797) 2.148 6.049 ( -1.688 -0.171 -0.285) 1.720 6.098 ( -0.282 -3.041 -1.685) 3.488 6.640 ( 5.568 5.273 -0.200) 7.671 6.745 ( 5.608 -4.251 -4.132) 8.160 6.968 ( 3.855 3.193 1.023) 5.109 7.013 ( 3.756 -0.685 -0.647) 3.873 11.014 ( 2.005 1.204 -0.304) 2.359 11.021 ( 1.436 0.515 -0.898) 1.770 11.168 ( 0.039 1.684 0.292) 1.710 11.195 ( -0.694 -0.865 -0.348) 1.163 11.448 ( 1.443 1.339 -1.774) 2.650 11.499 ( 3.078 -2.824 -3.320) 5.336 11.609 ( 2.965 1.892 -2.374) 4.243 11.676 ( 4.744 -3.404 -2.776) 6.465 12.994 ( -9.075 7.605 7.629) 14.085 13.148 ( -8.784 -6.632 1.653) 11.130 13.796 ( -0.014 0.295 0.359) 0.465 13.804 ( -0.061 -0.395 0.079) 0.407 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 3.399 -1.148 -5.081) 6.220 1.058 ( 2.321 -4.407 -9.031) 10.313 1.213 ( 1.802 0.461 -0.960) 2.093 1.229 ( 1.280 -0.842 3.179) 3.529 1.318 ( 1.544 1.660 -1.848) 2.925 1.356 ( 0.700 -1.551 1.548) 2.300 1.487 ( 0.252 5.727 -0.273) 5.739 1.559 ( 1.331 0.830 -3.584) 3.912 1.648 ( -1.973 1.869 2.034) 3.394 1.734 ( -2.441 -4.620 1.262) 5.375 1.834 ( -4.079 -3.176 4.731) 7.008 1.856 ( -2.293 -4.652 1.931) 5.535 2.380 ( -4.637 3.136 -3.553) 6.630 2.441 ( -4.042 -2.026 -4.366) 6.286 2.487 ( -0.044 3.287 2.271) 3.996 2.532 ( -0.018 -0.527 1.859) 1.932 2.716 ( -2.258 12.364 0.196) 12.570 2.852 ( -1.325 0.192 -1.497) 2.008 2.979 ( -5.983 1.204 -0.615) 6.134 3.017 ( -6.718 2.800 5.490) 9.117 3.124 ( -3.796 -2.039 3.373) 5.472 3.204 ( -2.991 -3.952 2.175) 5.412 3.473 ( -7.667 0.157 0.645) 7.695 3.558 ( -10.953 -6.347 -2.049) 12.823 3.654 ( 2.528 4.201 2.591) 5.545 3.732 ( 6.222 -2.200 3.825) 7.628 4.043 ( -6.580 1.887 5.093) 8.532 4.121 ( -6.932 -5.670 2.215) 9.226 4.255 ( 1.934 5.033 -0.589) 5.423 4.315 ( -0.382 -0.694 1.760) 1.930 4.422 ( -0.447 1.002 -2.899) 3.099 4.444 ( -2.934 -0.415 -3.814) 4.830 4.684 ( 3.641 1.945 5.236) 6.667 4.780 ( 4.723 -6.036 4.514) 8.895 4.984 ( 5.121 2.731 -4.445) 7.311 5.024 ( 5.705 -0.868 -4.402) 7.257 5.510 ( 0.221 4.601 5.040) 6.828 5.575 ( -5.934 0.305 -3.640) 6.968 5.625 ( 4.481 -2.592 2.432) 5.720 5.650 ( -0.967 -3.959 -8.743) 9.646 5.929 ( -2.749 1.783 0.754) 3.362 5.980 ( -3.023 -2.814 -0.435) 4.153 6.066 ( 1.901 1.530 0.038) 2.441 6.095 ( 1.595 -1.051 -1.013) 2.162 6.765 ( 7.049 2.504 1.604) 7.650 6.822 ( 6.689 -2.717 -1.313) 7.338 7.041 ( 4.251 3.551 -0.490) 5.561 7.078 ( 4.894 0.293 -1.712) 5.193 11.020 ( 1.405 2.085 -2.104) 3.278 11.047 ( 2.204 -0.276 -1.102) 2.479 11.186 ( 1.435 0.838 0.159) 1.670 11.192 ( 0.938 0.395 -0.099) 1.023 11.452 ( 1.452 2.712 -0.660) 3.146 11.523 ( 2.875 -2.882 0.035) 4.071 11.674 ( 6.437 4.448 -1.397) 7.948 11.774 ( 7.576 -4.070 -1.212) 8.685 12.865 ( -14.374 2.455 5.027) 15.424 12.959 ( -13.851 -6.042 0.234) 15.113 13.798 ( -0.253 0.021 0.204) 0.326 13.801 ( -0.382 -0.270 0.019) 0.468 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 1.351 1.573 -2.610) 3.333 1.047 ( 2.521 -2.359 -1.071) 3.615 1.224 ( -0.248 1.888 1.555) 2.458 1.268 ( 0.402 -2.796 2.570) 3.819 1.358 ( 4.249 1.713 -0.033) 4.581 1.400 ( 3.103 -2.287 -1.188) 4.034 1.516 ( -0.601 4.782 0.353) 4.832 1.534 ( 3.018 2.575 -2.584) 4.735 1.639 ( -1.425 -0.587 -2.515) 2.949 1.681 ( -2.545 -4.012 -2.225) 5.246 1.785 ( -5.953 0.282 3.363) 6.843 1.846 ( -3.059 -5.037 3.470) 6.839 2.294 ( -0.756 3.260 -2.443) 4.143 2.376 ( 1.054 -4.094 -1.923) 4.645 2.473 ( -2.510 7.015 1.756) 7.655 2.564 ( 0.174 -0.768 2.081) 2.225 2.654 ( -5.136 7.881 -0.343) 9.413 2.764 ( -3.637 0.454 -4.204) 5.577 2.851 ( -6.208 -3.555 -3.396) 7.919 2.923 ( -7.001 -3.735 0.598) 7.958 3.070 ( -7.551 -2.135 3.879) 8.753 3.174 ( -3.845 -7.778 2.799) 9.116 3.360 ( -3.851 -1.773 -0.662) 4.291 3.378 ( -4.121 -2.434 -3.531) 5.947 3.729 ( 0.413 5.078 1.298) 5.257 3.836 ( 1.836 -3.573 -0.999) 4.140 4.032 ( 0.816 2.291 -0.399) 2.464 4.071 ( 1.031 -0.718 1.562) 2.005 4.262 ( -2.067 1.009 -2.472) 3.377 4.287 ( -2.589 -0.712 -2.535) 3.693 4.339 ( -2.617 2.228 -2.740) 4.395 4.383 ( -0.403 -0.268 -0.345) 0.594 4.802 ( 3.586 4.152 2.266) 5.936 4.897 ( 3.830 -4.588 0.053) 5.977 5.024 ( 3.645 2.587 0.104) 4.471 5.068 ( 3.403 -0.962 -0.964) 3.666 5.426 ( -3.794 0.656 -3.284) 5.060 5.469 ( -4.145 -2.740 -3.257) 5.941 5.695 ( 4.436 3.099 6.343) 8.338 5.751 ( 2.607 -1.931 6.656) 7.405 5.892 ( -1.156 1.434 -0.609) 1.940 5.938 ( -1.303 -2.557 0.674) 2.948 6.084 ( 0.202 1.814 0.151) 1.832 6.109 ( 0.794 -0.572 -0.333) 1.034 6.890 ( 5.501 0.557 -0.398) 5.543 6.909 ( 4.514 -1.216 -1.733) 4.985 7.113 ( 3.911 3.456 1.392) 5.402 7.136 ( 3.335 1.389 0.559) 3.656 11.022 ( 1.849 2.521 -2.294) 3.878 11.061 ( 1.813 -0.939 -2.359) 3.120 11.226 ( 1.071 0.347 3.539) 3.714 11.232 ( 2.436 0.112 1.907) 3.096 11.500 ( 3.304 6.339 1.337) 7.272 11.593 ( 4.314 -1.131 0.478) 4.486 11.755 ( 4.975 6.403 -2.501) 8.485 11.878 ( 5.018 -2.649 0.629) 5.708 12.640 ( -13.911 -3.375 -1.083) 14.355 12.713 ( -14.131 -8.593 0.313) 16.541 13.791 ( -0.429 -0.104 -0.172) 0.474 13.795 ( -0.363 -0.433 0.039) 0.566 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 2.295 3.815 3.357) 5.576 1.084 ( 0.589 -0.683 2.206) 2.383 1.244 ( -0.672 2.146 1.910) 2.951 1.307 ( -1.759 -3.497 3.739) 5.413 1.417 ( 2.694 3.016 -4.816) 6.289 1.443 ( 3.876 0.213 -2.643) 4.696 1.500 ( 0.334 2.890 0.945) 3.059 1.525 ( -1.394 4.361 -2.717) 5.324 1.565 ( 0.042 -2.404 -1.946) 3.094 1.625 ( 1.662 -4.215 -2.352) 5.105 1.756 ( -1.800 0.954 3.307) 3.884 1.836 ( -3.195 -5.330 3.222) 7.000 2.288 ( 2.689 4.671 -2.153) 5.804 2.401 ( 2.003 -2.388 -1.149) 3.322 2.475 ( -0.017 0.720 1.173) 1.376 2.549 ( -4.730 1.391 1.622) 5.190 2.589 ( -0.109 -1.438 -1.534) 2.105 2.645 ( -4.272 -3.751 -1.759) 5.951 2.715 ( -0.719 -0.701 -5.533) 5.624 2.793 ( -7.397 -8.680 -0.781) 11.431 3.016 ( -2.967 2.614 2.787) 4.837 3.153 ( -1.978 -8.427 2.178) 8.926 3.324 ( 0.584 -0.029 -2.183) 2.260 3.342 ( 1.416 -1.554 -0.129) 2.107 3.681 ( -1.521 4.360 -6.228) 7.753 3.780 ( -0.751 -4.058 -8.156) 9.140 4.023 ( 0.381 5.160 -5.581) 7.610 4.104 ( -5.356 -1.667 -4.379) 7.116 4.154 ( 2.265 1.559 -0.530) 2.800 4.208 ( 1.168 -1.883 -3.701) 4.313 4.324 ( 0.149 4.170 1.154) 4.330 4.399 ( 0.473 -2.485 1.485) 2.933 4.826 ( 0.308 4.633 -3.058) 5.560 4.901 ( 1.244 -2.508 -5.310) 6.002 5.095 ( 1.257 0.700 2.953) 3.285 5.121 ( 1.262 -1.100 2.286) 2.833 5.369 ( 0.098 0.597 -0.850) 1.043 5.407 ( -0.480 -2.596 -1.196) 2.898 5.817 ( -1.672 1.639 7.122) 7.497 5.844 ( -0.884 -0.581 6.318) 6.406 5.916 ( 1.922 3.037 5.172) 6.299 5.978 ( 1.088 -2.361 5.992) 6.531 6.078 ( -0.406 2.738 -0.191) 2.774 6.119 ( 0.509 -1.109 0.233) 1.242 6.902 ( 0.964 1.047 -4.799) 5.005 6.935 ( 1.592 -1.949 -3.920) 4.658 7.195 ( 1.634 3.887 4.130) 5.902 7.222 ( 2.059 1.319 4.536) 5.153 11.028 ( 1.617 1.959 -1.637) 3.022 11.058 ( 1.262 -0.734 -2.304) 2.728 11.297 ( -0.262 1.317 6.652) 6.787 11.322 ( 1.415 -0.685 6.820) 6.999 11.554 ( 1.231 8.109 -1.288) 8.302 11.649 ( 1.521 -0.525 -1.445) 2.163 11.806 ( 6.013 10.907 -1.431) 12.537 11.960 ( 0.231 2.360 4.278) 4.892 12.414 ( -4.670 -10.574 -6.557) 13.289 12.498 ( -9.516 -13.569 -2.395) 16.746 13.783 ( -0.127 -0.127 -0.257) 0.314 13.788 ( -0.229 -0.572 -0.240) 0.661 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.475 1.751 2.449) 3.048 1.134 ( 4.826 1.952 1.882) 5.535 1.205 ( -3.154 -0.036 -2.783) 4.207 1.259 ( 1.155 -3.564 -5.343) 6.526 1.353 ( -1.359 4.537 -5.909) 7.573 1.434 ( 1.447 -1.876 -4.083) 4.721 1.507 ( -2.141 1.006 5.155) 5.672 1.543 ( -1.248 -0.146 9.495) 9.578 1.631 ( -0.372 4.709 1.848) 5.072 1.678 ( 3.551 0.992 2.610) 4.517 1.798 ( -3.077 -4.180 0.575) 5.222 1.819 ( 5.159 -4.707 2.411) 7.388 2.310 ( 4.244 4.988 -4.440) 7.912 2.391 ( 2.123 0.445 -6.293) 6.657 2.431 ( -5.193 0.320 1.784) 5.501 2.500 ( -4.424 -1.140 2.740) 5.327 2.571 ( 0.764 1.285 -1.281) 1.969 2.626 ( 3.589 -2.820 -5.556) 7.191 2.731 ( 6.182 -6.120 -5.557) 10.322 2.754 ( 8.261 -6.121 0.318) 10.287 3.006 ( -2.504 3.655 2.938) 5.316 3.157 ( -0.868 -8.886 2.667) 9.318 3.308 ( 1.589 1.059 -4.112) 4.534 3.366 ( 1.642 -3.712 -2.274) 4.653 3.574 ( 1.251 4.193 -7.710) 8.865 3.666 ( 0.773 -3.111 -8.183) 8.788 3.891 ( -5.037 5.019 -4.768) 8.561 4.000 ( -4.325 -3.807 0.052) 5.763 4.177 ( 4.835 3.593 -4.311) 7.408 4.244 ( 3.546 -1.439 -1.986) 4.312 4.358 ( 1.866 2.266 1.720) 3.403 4.420 ( 0.816 -2.818 -0.086) 2.935 4.773 ( -2.101 4.149 -2.303) 5.190 4.843 ( -0.706 -2.077 -4.200) 4.738 5.128 ( -0.976 1.247 2.642) 3.080 5.161 ( -0.066 -1.371 2.629) 2.965 5.382 ( 2.050 -0.794 -2.323) 3.198 5.388 ( 1.408 -1.576 -2.775) 3.488 5.858 ( -1.989 2.380 6.526) 7.225 5.895 ( -1.607 -0.670 6.118) 6.361 5.970 ( -3.095 4.527 2.869) 6.189 6.054 ( -1.784 -2.630 4.789) 5.747 6.105 ( 0.523 2.543 4.411) 5.118 6.144 ( 0.535 -1.034 3.226) 3.430 6.839 ( -1.742 1.753 -4.108) 4.794 6.889 ( 0.136 -2.524 -4.236) 4.933 7.248 ( -2.194 3.860 4.496) 6.319 7.283 ( -1.265 0.799 3.811) 4.094 11.036 ( 0.855 1.186 -0.797) 1.665 11.052 ( 0.710 -0.183 -1.658) 1.813 11.347 ( -4.117 3.709 5.797) 8.020 11.404 ( -3.410 -0.798 6.801) 7.650 11.520 ( -1.164 6.846 -0.143) 6.946 11.633 ( -1.531 -2.547 1.793) 3.471 11.887 ( -1.802 12.243 -0.585) 12.389 11.984 ( 1.305 7.246 3.940) 8.350 12.326 ( -0.340 -12.478 -9.021) 15.401 12.413 ( 11.199 -16.877 -5.118) 20.891 13.782 ( 0.323 -0.280 -0.254) 0.497 13.783 ( 0.049 -0.346 -0.390) 0.524 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -1.619 1.672 -2.104) 3.138 1.127 ( -0.239 -1.793 0.350) 1.842 1.221 ( 2.182 7.310 -4.645) 8.931 1.283 ( 4.919 0.492 0.176) 4.947 1.330 ( 5.612 -1.476 -2.225) 6.215 1.410 ( 4.079 -6.907 -5.515) 9.734 1.531 ( -5.410 2.912 3.936) 7.297 1.567 ( -4.351 1.105 -1.307) 4.676 1.665 ( -1.316 -0.418 11.838) 11.918 1.691 ( -4.667 -3.067 7.481) 9.335 1.828 ( 1.539 2.638 2.430) 3.903 1.926 ( 2.458 -6.203 2.987) 7.310 2.271 ( -0.857 1.744 -11.994) 12.151 2.290 ( 1.761 -0.265 -12.756) 12.880 2.436 ( 2.511 3.542 2.078) 4.814 2.480 ( 0.576 -0.830 1.414) 1.738 2.629 ( 6.929 10.456 -1.271) 12.607 2.642 ( 5.543 4.670 -3.406) 8.008 2.774 ( 4.192 -5.026 -3.390) 7.371 2.891 ( 3.837 -7.721 0.327) 8.629 3.028 ( 1.620 3.090 3.419) 4.885 3.188 ( -0.005 -8.213 2.888) 8.706 3.327 ( 6.680 -2.857 -2.667) 7.740 3.357 ( 5.386 -2.148 -4.312) 7.226 3.591 ( 4.639 1.495 -0.512) 4.901 3.652 ( 5.345 -4.068 -2.267) 7.089 3.779 ( -2.031 6.114 -4.012) 7.590 3.935 ( -3.763 -7.044 0.947) 8.042 4.207 ( 3.566 4.862 -3.394) 6.920 4.267 ( 2.011 0.832 -1.400) 2.588 4.407 ( 1.636 -1.354 -1.364) 2.524 4.435 ( 2.502 -1.939 0.292) 3.179 4.711 ( -3.158 4.242 -0.202) 5.292 4.789 ( -1.488 -2.424 -1.522) 3.226 5.130 ( -2.331 1.873 1.899) 3.542 5.164 ( -2.179 -0.934 0.412) 2.406 5.370 ( 1.688 0.621 -1.930) 2.638 5.419 ( 3.941 -3.761 -1.349) 5.612 5.900 ( -3.388 4.682 5.253) 7.809 5.914 ( -2.208 2.322 2.890) 4.315 5.947 ( -0.966 -0.423 2.804) 2.996 6.038 ( -2.955 -4.223 0.784) 5.213 6.125 ( -3.542 3.287 1.878) 5.184 6.176 ( -2.390 -1.252 2.598) 3.745 6.759 ( -2.469 4.902 -2.279) 5.943 6.870 ( 0.766 -5.112 -0.392) 5.184 7.215 ( -6.488 3.904 2.256) 7.901 7.262 ( -5.313 -0.110 1.947) 5.660 11.030 ( -0.263 0.970 -1.372) 1.701 11.041 ( 0.068 0.073 -1.277) 1.281 11.289 ( -5.609 4.222 1.557) 7.191 11.350 ( -7.632 -0.295 2.328) 7.984 11.543 ( -0.395 5.885 3.977) 7.114 11.682 ( -0.599 -5.655 7.442) 9.366 11.787 ( -4.594 7.538 -2.298) 9.122 11.962 ( -9.039 -5.508 0.298) 10.589 12.362 ( 16.170 6.294 -7.326) 18.835 12.617 ( 16.019 -14.846 -2.513) 21.985 13.781 ( 0.303 0.083 -0.318) 0.447 13.788 ( 0.586 -0.491 -0.149) 0.779 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 1.865 7.415 -2.787) 8.138 1.162 ( -0.323 3.414 0.987) 3.568 1.186 ( 0.187 2.810 0.925) 2.964 1.333 ( -0.337 0.408 -2.390) 2.448 1.391 ( -0.503 -3.553 -5.247) 6.357 1.439 ( 0.898 -1.460 4.016) 4.367 1.475 ( 5.056 -5.336 -5.027) 8.905 1.498 ( 4.273 -4.391 -0.746) 6.172 1.742 ( -0.188 1.244 1.936) 2.309 1.747 ( -4.243 1.468 9.043) 10.096 1.853 ( -1.209 2.358 0.406) 2.681 1.967 ( -1.939 -8.167 3.691) 9.169 2.106 ( -2.224 2.809 -7.265) 8.101 2.162 ( -1.280 -2.050 -5.023) 5.574 2.495 ( 3.435 3.612 -0.401) 5.001 2.552 ( 6.942 -1.821 -1.686) 7.372 2.699 ( 2.185 6.441 -0.368) 6.812 2.725 ( 3.724 9.126 0.446) 9.866 2.854 ( 2.991 0.345 2.093) 3.666 2.913 ( 4.235 -0.870 -1.506) 4.578 3.108 ( 2.998 3.255 3.142) 5.427 3.218 ( 0.976 -4.577 0.872) 4.760 3.434 ( 7.291 -0.189 -0.831) 7.340 3.470 ( 6.950 -4.989 0.035) 8.555 3.661 ( 2.675 2.245 1.390) 3.759 3.708 ( 0.536 3.805 -2.432) 4.548 3.807 ( 11.425 -6.524 -0.568) 13.168 3.922 ( 1.170 -8.007 2.017) 8.339 4.211 ( 0.424 4.729 -1.232) 4.905 4.279 ( 0.483 0.105 -1.019) 1.133 4.402 ( 1.796 2.816 -2.233) 4.017 4.497 ( 3.447 -3.706 -0.313) 5.071 4.667 ( -2.879 3.930 1.710) 5.163 4.754 ( -2.074 -3.279 0.605) 3.927 5.082 ( -4.690 0.689 0.219) 4.745 5.100 ( -3.696 -1.038 -1.552) 4.141 5.405 ( 2.979 2.369 0.420) 3.829 5.476 ( 2.980 -3.943 -0.109) 4.943 5.862 ( -1.764 5.611 0.046) 5.882 5.943 ( -2.721 -0.856 4.817) 5.598 5.966 ( -0.256 -0.628 1.878) 1.997 6.002 ( -1.580 -2.715 0.369) 3.163 6.052 ( -3.348 1.617 -2.214) 4.327 6.117 ( -3.180 -3.165 -2.477) 5.125 6.711 ( -1.963 8.451 0.248) 8.679 6.882 ( -0.403 -7.187 0.473) 7.213 7.087 ( -9.269 4.269 0.029) 10.205 7.153 ( -8.278 -1.375 0.144) 8.393 10.999 ( -0.592 1.436 -1.938) 2.484 11.018 ( -0.806 -0.399 -1.414) 1.676 11.232 ( -3.323 1.917 1.473) 4.110 11.254 ( -4.668 0.424 0.933) 4.779 11.558 ( -3.109 6.381 2.034) 7.383 11.676 ( -3.577 2.231 -0.357) 4.231 11.756 ( -6.254 -7.645 2.257) 10.132 11.791 ( -2.142 -4.814 -2.592) 5.873 12.597 ( 14.937 12.538 -0.419) 19.506 12.869 ( 14.541 -12.421 -0.045) 19.124 13.784 ( 0.296 0.390 -0.083) 0.496 13.796 ( 0.439 -0.608 -0.033) 0.751 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 3.654 10.572 -5.080) 12.285 1.105 ( -3.011 9.681 -2.625) 10.473 1.227 ( 3.783 -3.550 -3.045) 6.015 1.251 ( -3.531 -4.087 -2.970) 6.164 1.338 ( 1.677 -0.028 -2.413) 2.939 1.433 ( -0.270 -7.596 -2.309) 7.943 1.561 ( 1.709 1.243 -0.144) 2.118 1.646 ( 5.968 -5.761 1.240) 8.387 1.714 ( 1.309 1.112 -3.366) 3.779 1.742 ( 1.906 0.303 -1.371) 2.367 1.819 ( -3.295 4.013 2.962) 5.978 1.981 ( -4.107 -8.870 6.741) 11.873 2.067 ( -2.266 2.100 5.478) 6.289 2.138 ( -3.183 -3.701 7.840) 9.235 2.548 ( 3.168 5.932 -1.356) 6.861 2.646 ( 4.736 -3.090 -0.858) 5.720 2.729 ( 2.423 3.523 0.260) 4.284 2.740 ( -0.125 2.371 -1.354) 2.733 2.867 ( -0.058 11.060 1.081) 11.113 3.030 ( 4.192 -0.673 1.972) 4.681 3.195 ( 2.688 4.036 0.017) 4.849 3.245 ( 2.381 -1.597 -0.341) 2.888 3.508 ( 0.201 0.566 3.636) 3.685 3.557 ( 1.914 -4.169 2.452) 5.201 3.712 ( 1.882 2.490 1.698) 3.553 3.739 ( 3.625 4.460 -0.578) 5.777 3.997 ( 6.165 -1.954 1.282) 6.593 4.026 ( 10.950 -5.231 0.590) 12.150 4.206 ( -0.493 2.197 0.714) 2.362 4.255 ( -0.998 -1.602 -0.671) 2.003 4.429 ( 2.503 5.124 -0.747) 5.751 4.502 ( -4.023 0.533 0.676) 4.114 4.650 ( 0.012 -1.164 -0.491) 1.264 4.725 ( -2.861 -5.478 1.273) 6.309 4.987 ( -4.684 1.310 -1.371) 5.054 5.037 ( -1.362 -3.600 -1.288) 4.059 5.462 ( 2.105 1.302 0.919) 2.640 5.494 ( -0.380 -1.923 -0.828) 2.128 5.846 ( 1.075 3.896 -2.410) 4.706 5.916 ( -3.430 -1.837 -0.880) 3.989 5.959 ( -1.901 -0.295 0.587) 2.011 5.989 ( -0.513 -3.627 0.245) 3.671 6.012 ( 1.914 1.922 -0.155) 2.717 6.090 ( 2.577 -4.859 -1.097) 5.608 6.675 ( -2.520 8.934 -1.006) 9.337 6.829 ( -4.923 -3.740 -1.981) 6.493 6.951 ( -5.096 2.073 -0.363) 5.514 7.019 ( -6.210 -2.517 0.764) 6.744 10.977 ( 0.368 1.275 -1.203) 1.791 10.991 ( -0.338 -0.111 -0.626) 0.720 11.194 ( -1.900 2.075 0.386) 2.840 11.229 ( -0.310 -1.225 0.186) 1.277 11.497 ( -4.043 3.046 0.034) 5.062 11.576 ( -7.231 -3.976 -0.796) 8.290 11.650 ( -0.560 4.510 -3.361) 5.653 11.782 ( 0.163 -7.482 -3.363) 8.204 12.832 ( 8.527 13.240 4.986) 16.519 13.090 ( 8.941 -10.616 2.243) 14.059 13.788 ( 0.045 0.494 0.156) 0.520 13.801 ( 0.109 -0.622 0.071) 0.635 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -3.340 0.000 13.749) 14.148 0.827 ( -3.460 0.000 17.456) 17.796 0.920 ( 3.537 0.000 -10.476) 11.057 1.175 ( 3.321 0.000 -14.093) 14.479 1.272 ( 0.251 0.000 -0.325) 0.411 1.326 ( 1.113 0.000 -3.168) 3.358 1.552 ( -3.036 0.000 14.077) 14.401 1.673 ( 2.926 0.000 -4.017) 4.970 1.725 ( 7.951 0.000 9.352) 12.276 2.038 ( -8.490 0.000 -9.860) 13.011 2.149 ( -0.983 0.000 4.399) 4.507 2.199 ( 4.445 0.000 -2.402) 5.053 2.313 ( -6.560 0.000 2.404) 6.987 2.390 ( 0.180 0.000 -4.145) 4.149 2.450 ( 1.159 0.000 -0.063) 1.161 2.453 ( -1.471 0.000 1.458) 2.072 2.718 ( -4.177 0.000 0.070) 4.178 2.764 ( 2.872 0.000 -2.731) 3.964 2.960 ( 1.891 0.000 0.698) 2.016 2.981 ( -1.615 0.000 -0.356) 1.654 3.178 ( 3.820 0.000 3.612) 5.257 3.194 ( 0.934 0.000 0.227) 0.961 3.359 ( -3.792 0.000 8.403) 9.219 3.496 ( 5.303 0.000 -4.903) 7.222 3.524 ( 3.359 0.000 9.385) 9.968 3.700 ( -7.161 0.000 -6.226) 9.489 3.873 ( -0.897 0.000 -0.035) 0.898 3.896 ( 1.126 0.000 -1.821) 2.140 3.987 ( 1.939 0.000 13.745) 13.881 4.327 ( -0.585 0.000 -11.943) 11.958 4.528 ( -1.678 0.000 1.117) 2.016 4.546 ( -2.207 0.000 -1.382) 2.604 4.754 ( 3.578 0.000 2.276) 4.240 4.770 ( 0.136 0.000 0.325) 0.352 5.018 ( -1.384 0.000 3.371) 3.644 5.144 ( 3.819 0.000 -8.121) 8.974 5.428 ( -0.511 0.000 1.848) 1.917 5.483 ( 0.125 0.000 -2.677) 2.680 5.946 ( -5.823 0.000 0.209) 5.827 5.948 ( 1.719 0.000 0.438) 1.774 6.113 ( 0.679 0.000 0.144) 0.694 6.122 ( -0.740 0.000 -0.579) 0.939 6.245 ( 3.594 0.000 2.213) 4.221 6.304 ( -2.435 0.000 -2.985) 3.852 6.368 ( -4.509 0.000 9.648) 10.649 6.569 ( 3.162 0.000 -8.713) 9.269 6.746 ( 5.344 0.000 6.069) 8.087 6.910 ( -2.786 0.000 -8.276) 8.733 10.948 ( 0.050 0.000 1.931) 1.932 10.990 ( -0.222 0.000 -1.818) 1.832 11.178 ( -3.051 0.000 4.658) 5.568 11.334 ( 4.830 0.000 -7.019) 8.520 11.351 ( 1.901 0.000 0.258) 1.919 11.354 ( -1.942 0.000 -2.988) 3.564 11.633 ( -4.786 0.000 0.531) 4.816 11.645 ( 3.952 0.000 -0.571) 3.993 12.950 ( -5.559 0.000 17.555) 18.414 13.283 ( 5.292 0.000 -12.882) 13.926 13.802 ( -0.207 0.000 0.698) 0.728 13.813 ( 0.136 0.000 -0.280) 0.311 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 7.465 0.000 8.897) 11.614 0.916 ( 8.719 0.000 -7.781) 11.686 1.004 ( 1.782 0.000 11.416) 11.554 1.075 ( 5.595 0.000 -14.292) 15.348 1.272 ( -1.873 0.000 -2.066) 2.788 1.299 ( 0.957 0.000 2.631) 2.799 1.548 ( -5.464 0.000 2.569) 6.038 1.637 ( -3.500 0.000 -0.947) 3.626 1.765 ( -0.724 0.000 -15.137) 15.155 2.024 ( 3.316 0.000 11.096) 11.581 2.166 ( 0.245 0.000 -1.667) 1.685 2.189 ( -2.772 0.000 -4.069) 4.924 2.330 ( 1.232 0.000 8.451) 8.540 2.417 ( 2.810 0.000 1.736) 3.303 2.439 ( -1.081 0.000 0.042) 1.082 2.468 ( 0.446 0.000 1.699) 1.756 2.585 ( -7.711 0.000 -0.227) 7.714 2.676 ( -9.824 0.000 1.050) 9.880 2.924 ( -2.608 0.000 -1.970) 3.268 2.992 ( 0.723 0.000 0.986) 1.223 3.177 ( 0.737 0.000 -1.778) 1.924 3.177 ( -4.259 0.000 -3.362) 5.426 3.429 ( 2.100 0.000 4.359) 4.839 3.498 ( -2.503 0.000 -6.373) 6.847 3.582 ( 7.420 0.000 -5.311) 9.125 3.740 ( 6.120 0.000 9.707) 11.475 3.884 ( 1.513 0.000 0.603) 1.629 3.931 ( 4.479 0.000 -1.396) 4.692 4.125 ( -0.137 0.000 -17.057) 17.058 4.208 ( 1.477 0.000 14.416) 14.491 4.505 ( -4.491 0.000 1.923) 4.886 4.530 ( -0.220 0.000 2.095) 2.106 4.775 ( 2.098 0.000 -3.039) 3.693 4.834 ( 4.623 0.000 -0.185) 4.627 5.043 ( -1.211 0.000 4.631) 4.787 5.095 ( 1.268 0.000 -7.566) 7.672 5.429 ( -2.476 0.000 -1.785) 3.052 5.442 ( -0.847 0.000 2.191) 2.349 5.900 ( -2.177 0.000 2.837) 3.576 5.993 ( 0.591 0.000 1.946) 2.034 6.062 ( -5.052 0.000 -0.422) 5.070 6.077 ( -5.299 0.000 0.902) 5.375 6.163 ( -6.466 0.000 -3.031) 7.141 6.229 ( -5.285 0.000 2.949) 6.052 6.542 ( 7.921 0.000 8.218) 11.414 6.597 ( 8.888 0.000 -8.598) 12.366 6.782 ( 0.918 0.000 -7.264) 7.322 6.904 ( 4.385 0.000 5.223) 6.819 10.969 ( 0.366 0.000 -1.749) 1.787 10.978 ( 0.495 0.000 2.057) 2.115 11.179 ( -3.701 0.000 5.242) 6.417 11.260 ( -0.759 0.000 -5.394) 5.447 11.345 ( 0.573 0.000 -2.160) 2.235 11.368 ( 0.168 0.000 -0.288) 0.334 11.575 ( -3.001 0.000 2.498) 3.905 11.689 ( 1.174 0.000 -1.078) 1.594 13.090 ( -0.668 0.000 15.125) 15.140 13.212 ( 5.481 0.000 -14.885) 15.862 13.809 ( 0.112 0.000 0.556) 0.567 13.813 ( 0.364 0.000 -0.489) 0.610 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 6.456 0.000 -9.402) 11.406 1.001 ( 3.975 0.000 -1.299) 4.182 1.050 ( 5.338 0.000 -6.421) 8.350 1.143 ( -0.173 0.000 8.957) 8.958 1.272 ( -2.113 0.000 7.794) 8.075 1.343 ( 2.741 0.000 1.173) 2.981 1.484 ( -1.195 0.000 -0.843) 1.462 1.616 ( 0.917 0.000 4.099) 4.200 1.693 ( 5.962 0.000 -8.698) 10.545 1.976 ( -13.227 0.000 -4.865) 14.093 2.026 ( -8.868 0.000 -5.216) 10.289 2.163 ( 2.882 0.000 3.717) 4.703 2.335 ( -3.474 0.000 -5.343) 6.373 2.437 ( -4.485 0.000 -2.667) 5.218 2.454 ( -0.797 0.000 1.509) 1.707 2.457 ( 0.441 0.000 3.218) 3.248 2.591 ( 0.749 0.000 5.449) 5.500 2.631 ( 1.804 0.000 4.248) 4.615 2.875 ( 0.282 0.000 -1.747) 1.770 2.982 ( -1.054 0.000 -2.107) 2.356 3.028 ( -2.964 0.000 -7.071) 7.667 3.226 ( 5.175 0.000 -2.059) 5.569 3.429 ( 3.361 0.000 -1.404) 3.642 3.486 ( 0.228 0.000 1.074) 1.098 3.667 ( 5.594 0.000 -2.832) 6.270 3.903 ( 3.445 0.000 -14.357) 14.764 3.914 ( 1.820 0.000 0.032) 1.820 3.946 ( 4.819 0.000 7.566) 8.971 4.046 ( 3.505 0.000 -0.629) 3.561 4.324 ( -1.149 0.000 5.807) 5.919 4.444 ( -4.116 0.000 1.902) 4.534 4.482 ( -3.987 0.000 -6.669) 7.770 4.782 ( 2.038 0.000 -0.785) 2.184 4.941 ( 3.290 0.000 4.132) 5.282 5.001 ( -2.957 0.000 -5.705) 6.425 5.085 ( -0.960 0.000 5.662) 5.743 5.404 ( -0.179 0.000 2.439) 2.445 5.458 ( 1.042 0.000 0.607) 1.206 5.890 ( -7.873 0.000 -2.167) 8.166 5.902 ( -1.704 0.000 1.284) 2.133 5.977 ( -6.165 0.000 0.064) 6.165 5.992 ( -7.281 0.000 1.060) 7.358 6.098 ( 1.068 0.000 -0.035) 1.068 6.178 ( -4.700 0.000 3.151) 5.658 6.623 ( 6.562 0.000 -6.918) 9.535 6.766 ( 6.860 0.000 6.929) 9.751 6.824 ( 8.197 0.000 -1.348) 8.307 7.015 ( 1.531 0.000 4.698) 4.941 10.964 ( 1.075 0.000 -1.306) 1.691 11.009 ( 0.338 0.000 1.651) 1.685 11.173 ( -2.865 0.000 3.069) 4.198 11.190 ( -0.777 0.000 -3.746) 3.826 11.320 ( 0.067 0.000 -2.068) 2.069 11.353 ( -1.787 0.000 0.453) 1.843 11.609 ( 0.114 0.000 6.851) 6.852 11.670 ( -1.430 0.000 -0.076) 1.432 13.120 ( 5.387 0.000 -15.389) 16.304 13.259 ( 0.808 0.000 10.374) 10.405 13.813 ( 0.397 0.000 -0.648) 0.760 13.818 ( 0.271 0.000 0.310) 0.412 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 5.188 0.000 -9.077) 10.455 1.064 ( -0.468 0.000 7.914) 7.928 1.092 ( 9.703 0.000 -5.917) 11.365 1.209 ( -1.753 0.000 4.754) 5.067 1.276 ( -6.474 0.000 5.989) 8.819 1.435 ( -0.553 0.000 6.962) 6.984 1.492 ( -4.193 0.000 0.919) 4.292 1.640 ( -0.718 0.000 -3.778) 3.846 1.712 ( -1.530 0.000 -1.403) 2.076 1.725 ( -4.471 0.000 -2.867) 5.311 1.856 ( -0.144 0.000 -0.836) 0.848 2.226 ( -0.028 0.000 0.635) 0.635 2.257 ( -4.069 0.000 -10.561) 11.317 2.261 ( 2.931 0.000 -5.867) 6.558 2.476 ( 1.406 0.000 0.820) 1.627 2.544 ( 1.889 0.000 4.563) 4.938 2.623 ( -1.748 0.000 2.124) 2.751 2.645 ( 1.822 0.000 -6.033) 6.302 2.900 ( 0.651 0.000 3.424) 3.485 2.947 ( -0.834 0.000 -0.330) 0.897 2.970 ( 6.144 0.000 -7.063) 9.361 3.214 ( 3.085 0.000 -9.319) 9.816 3.450 ( -2.881 0.000 -3.207) 4.311 3.585 ( 9.236 0.000 0.469) 9.248 3.675 ( -1.827 0.000 2.229) 2.882 3.834 ( 1.264 0.000 -5.220) 5.371 3.923 ( -1.809 0.000 0.903) 2.022 4.079 ( 1.470 0.000 4.569) 4.800 4.110 ( 5.592 0.000 -0.660) 5.631 4.301 ( -1.975 0.000 -7.681) 7.931 4.351 ( -0.289 0.000 -1.257) 1.290 4.422 ( -1.737 0.000 1.097) 2.055 4.834 ( -3.859 0.000 4.899) 6.236 4.886 ( 3.227 0.000 -5.072) 6.011 4.962 ( -5.989 0.000 3.365) 6.870 5.121 ( -1.674 0.000 1.979) 2.592 5.431 ( 1.471 0.000 -0.324) 1.506 5.498 ( 3.181 0.000 -0.166) 3.186 5.824 ( -2.855 0.000 5.488) 6.186 5.840 ( -5.526 0.000 0.193) 5.530 5.873 ( -5.725 0.000 0.898) 5.795 5.898 ( -1.833 0.000 -2.567) 3.154 6.115 ( 0.710 0.000 -0.631) 0.950 6.150 ( -3.133 0.000 3.408) 4.629 6.685 ( 7.298 0.000 -2.313) 7.656 6.929 ( 3.340 0.000 5.341) 6.299 6.957 ( 6.161 0.000 1.285) 6.293 7.062 ( -1.543 0.000 2.868) 3.257 10.966 ( 1.150 0.000 -1.528) 1.912 11.020 ( -1.037 0.000 0.843) 1.336 11.159 ( 1.265 0.000 -2.143) 2.488 11.163 ( -0.872 0.000 0.994) 1.323 11.315 ( 0.521 0.000 0.555) 0.761 11.328 ( -1.783 0.000 0.867) 1.982 11.667 ( 0.090 0.000 2.195) 2.197 11.712 ( -1.127 0.000 10.269) 10.330 13.052 ( 7.827 0.000 -13.710) 15.787 13.317 ( -4.081 0.000 3.154) 5.158 13.812 ( 0.377 0.000 -0.638) 0.741 13.823 ( 0.060 0.000 -0.082) 0.101 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 7.132 0.000 2.977) 7.729 1.164 ( -0.661 0.000 1.559) 1.694 1.197 ( 1.052 0.000 7.231) 7.308 1.205 ( -1.885 0.000 0.576) 1.971 1.278 ( 3.641 0.000 1.761) 4.045 1.365 ( -3.266 0.000 -0.025) 3.266 1.429 ( -8.309 0.000 4.986) 9.690 1.509 ( -2.911 0.000 -8.810) 9.278 1.669 ( 1.034 0.000 -0.419) 1.116 1.728 ( 0.787 0.000 0.331) 0.854 1.930 ( 1.440 0.000 2.139) 2.578 2.040 ( -2.180 0.000 -13.490) 13.665 2.214 ( -1.656 0.000 0.542) 1.742 2.275 ( 5.529 0.000 -5.324) 7.676 2.507 ( -0.055 0.000 2.404) 2.405 2.544 ( -2.969 0.000 -1.409) 3.286 2.609 ( -1.132 0.000 -0.134) 1.139 2.670 ( 5.384 0.000 -2.546) 5.955 2.936 ( -0.751 0.000 2.403) 2.518 2.947 ( 0.456 0.000 1.653) 1.714 3.036 ( 5.741 0.000 -3.535) 6.742 3.144 ( 2.478 0.000 -9.883) 10.189 3.367 ( 2.581 0.000 -4.708) 5.369 3.487 ( -12.689 0.000 -1.710) 12.804 3.785 ( 4.742 0.000 2.428) 5.328 3.867 ( -4.718 0.000 0.431) 4.737 3.902 ( 9.255 0.000 1.840) 9.436 4.095 ( -5.509 0.000 2.885) 6.219 4.214 ( 6.785 0.000 -1.379) 6.924 4.241 ( 1.391 0.000 -3.867) 4.110 4.337 ( 3.383 0.000 -3.449) 4.831 4.362 ( -6.811 0.000 0.415) 6.824 4.757 ( -1.340 0.000 -0.542) 1.446 4.838 ( -9.081 0.000 0.147) 9.082 5.022 ( 6.934 0.000 3.158) 7.619 5.099 ( -2.104 0.000 1.289) 2.468 5.495 ( 5.107 0.000 0.476) 5.129 5.547 ( 2.005 0.000 -0.410) 2.047 5.741 ( -7.276 0.000 2.779) 7.788 5.768 ( -1.552 0.000 -0.919) 1.804 5.843 ( -1.060 0.000 -1.001) 1.458 5.902 ( -0.592 0.000 1.919) 2.008 6.110 ( 0.562 0.000 -0.417) 0.700 6.142 ( -1.742 0.000 1.636) 2.390 6.821 ( 8.174 0.000 2.311) 8.495 6.981 ( -5.805 0.000 3.783) 6.929 7.046 ( 2.888 0.000 0.475) 2.927 7.051 ( 0.396 0.000 0.067) 0.401 10.975 ( 1.831 0.000 -1.104) 2.138 10.995 ( -2.202 0.000 0.126) 2.205 11.163 ( -0.094 0.000 0.007) 0.094 11.165 ( 1.518 0.000 -1.292) 1.993 11.319 ( -0.549 0.000 1.195) 1.315 11.336 ( 0.632 0.000 0.519) 0.818 11.735 ( 3.135 0.000 4.440) 5.436 11.782 ( -4.215 0.000 8.217) 9.235 13.079 ( 10.948 0.000 -8.574) 13.906 13.201 ( -9.752 0.000 -1.663) 9.893 13.812 ( 0.372 0.000 -0.411) 0.555 13.818 ( -0.295 0.000 -0.292) 0.415 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -14.154 0.000 -1.853) 14.275 1.131 ( -8.804 0.000 6.502) 10.944 1.233 ( 8.264 0.000 5.920) 10.166 1.307 ( 3.209 0.000 6.053) 6.851 1.337 ( 0.237 0.000 -3.772) 3.779 1.348 ( 5.157 0.000 -4.732) 6.999 1.397 ( 1.441 0.000 -6.858) 7.008 1.481 ( 10.628 0.000 0.801) 10.658 1.703 ( 0.069 0.000 2.021) 2.022 1.711 ( -1.504 0.000 -2.397) 2.830 1.920 ( -0.385 0.000 -1.889) 1.928 1.938 ( 1.505 0.000 -1.464) 2.100 2.184 ( -4.112 0.000 1.232) 4.292 2.285 ( 2.970 0.000 -6.094) 6.779 2.467 ( -5.934 0.000 2.106) 6.297 2.526 ( 0.409 0.000 1.039) 1.116 2.596 ( -3.082 0.000 3.515) 4.674 2.688 ( 2.095 0.000 -4.041) 4.551 2.955 ( -2.330 0.000 5.812) 6.262 2.976 ( -3.848 0.000 2.479) 4.578 3.010 ( -0.869 0.000 -3.794) 3.893 3.069 ( 2.258 0.000 -8.355) 8.655 3.296 ( -4.464 0.000 1.297) 4.649 3.477 ( 9.415 0.000 -0.459) 9.426 3.800 ( -2.727 0.000 -0.608) 2.794 3.882 ( 5.481 0.000 -0.645) 5.519 3.969 ( -8.301 0.000 -1.739) 8.481 4.083 ( 5.954 0.000 3.625) 6.971 4.171 ( -7.443 0.000 1.604) 7.614 4.203 ( -6.666 0.000 -1.977) 6.953 4.310 ( 2.737 0.000 0.534) 2.789 4.412 ( 7.987 0.000 -4.160) 9.005 4.732 ( -2.589 0.000 1.332) 2.911 4.808 ( 5.389 0.000 2.412) 5.904 5.064 ( -3.727 0.000 -0.308) 3.740 5.131 ( 3.938 0.000 -0.954) 4.052 5.520 ( -3.483 0.000 -1.801) 3.921 5.544 ( -1.372 0.000 0.072) 1.374 5.722 ( 2.049 0.000 2.974) 3.611 5.784 ( 4.901 0.000 -1.084) 5.019 5.863 ( -1.553 0.000 -2.062) 2.582 5.870 ( 1.988 0.000 3.254) 3.813 6.122 ( -1.380 0.000 -0.493) 1.465 6.142 ( 1.894 0.000 1.204) 2.245 6.849 ( -10.805 0.000 0.257) 10.808 6.988 ( 6.131 0.000 3.445) 7.033 7.057 ( -0.554 0.000 -0.402) 0.685 7.068 ( 0.474 0.000 -1.472) 1.547 10.959 ( -2.017 0.000 0.171) 2.024 11.002 ( 2.170 0.000 -0.381) 2.203 11.153 ( -0.911 0.000 -0.204) 0.934 11.177 ( 1.630 0.000 -1.176) 2.010 11.333 ( 0.501 0.000 0.676) 0.841 11.345 ( 0.930 0.000 -0.976) 1.348 11.767 ( -4.859 0.000 2.973) 5.696 11.857 ( 5.380 0.000 2.184) 5.807 12.975 ( -14.118 0.000 -0.175) 14.119 13.205 ( 10.827 0.000 -2.856) 11.197 13.808 ( -0.498 0.000 -0.096) 0.507 13.815 ( 0.268 0.000 -0.071) 0.277 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -15.809 0.000 3.498) 16.192 0.979 ( -13.923 0.000 4.222) 14.549 1.259 ( 0.825 0.000 -6.857) 6.907 1.330 ( 2.751 0.000 -6.665) 7.210 1.405 ( 7.306 0.000 -4.761) 8.720 1.484 ( 3.997 0.000 9.198) 10.029 1.519 ( 12.874 0.000 -0.167) 12.875 1.597 ( -2.263 0.000 -7.648) 7.975 1.646 ( 0.424 0.000 3.284) 3.311 1.671 ( -4.630 0.000 1.450) 4.852 1.925 ( -1.809 0.000 -3.659) 4.081 1.981 ( 4.011 0.000 8.932) 9.791 2.135 ( -3.420 0.000 5.387) 6.381 2.268 ( 2.553 0.000 -3.014) 3.950 2.439 ( -0.711 0.000 4.087) 4.148 2.558 ( 0.102 0.000 0.837) 0.844 2.564 ( -3.273 0.000 2.746) 4.272 2.679 ( 0.977 0.000 -1.993) 2.220 2.879 ( -4.026 0.000 -0.896) 4.124 2.967 ( 0.448 0.000 -1.171) 1.254 3.008 ( -2.209 0.000 7.371) 7.695 3.032 ( 2.128 0.000 -5.469) 5.869 3.369 ( 5.897 0.000 3.068) 6.648 3.529 ( -6.184 0.000 2.424) 6.642 3.731 ( -4.228 0.000 -1.164) 4.386 3.854 ( -1.307 0.000 -4.331) 4.524 3.953 ( 3.094 0.000 -1.537) 3.455 4.069 ( -5.789 0.000 2.946) 6.496 4.076 ( -5.108 0.000 4.137) 6.573 4.183 ( 1.024 0.000 -0.156) 1.036 4.361 ( 2.907 0.000 -0.331) 2.926 4.458 ( 2.592 0.000 -2.146) 3.365 4.780 ( 2.013 0.000 3.057) 3.660 4.956 ( -3.841 0.000 -4.275) 5.747 4.973 ( 8.005 0.000 3.926) 8.916 5.153 ( 2.259 0.000 -2.955) 3.720 5.427 ( -3.753 0.000 -1.158) 3.927 5.497 ( -2.822 0.000 0.156) 2.826 5.827 ( 5.203 0.000 1.395) 5.387 5.860 ( 3.194 0.000 0.390) 3.218 5.886 ( 6.733 0.000 -0.314) 6.741 5.922 ( 0.628 0.000 -0.620) 0.882 6.097 ( -0.544 0.000 0.182) 0.574 6.188 ( 2.623 0.000 -0.086) 2.624 6.652 ( -11.733 0.000 0.743) 11.756 7.012 ( -2.748 0.000 -2.894) 3.991 7.013 ( -3.293 0.000 -2.040) 3.874 7.103 ( 3.751 0.000 -0.361) 3.769 10.936 ( -1.303 0.000 0.901) 1.584 11.030 ( 1.143 0.000 -0.084) 1.146 11.132 ( -1.348 0.000 0.237) 1.368 11.197 ( 2.986 0.000 -1.894) 3.536 11.337 ( -0.225 0.000 -0.944) 0.971 11.354 ( 2.115 0.000 -1.471) 2.576 11.711 ( -2.563 0.000 -0.466) 2.605 11.922 ( 3.760 0.000 -6.813) 7.782 12.772 ( -14.166 0.000 9.639) 17.134 13.349 ( 7.628 0.000 -0.869) 7.677 13.800 ( -0.512 0.000 0.311) 0.599 13.818 ( 0.006 0.000 0.199) 0.199 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -8.866 0.000 18.101) 20.156 0.802 ( -14.785 0.000 9.169) 17.397 1.175 ( 1.093 0.000 -9.778) 9.839 1.221 ( -16.019 0.000 3.949) 16.499 1.384 ( -2.661 0.000 -7.616) 8.068 1.447 ( -7.995 0.000 -4.261) 9.060 1.504 ( 10.972 0.000 -6.102) 12.555 1.596 ( -3.004 0.000 0.932) 3.146 1.679 ( 0.160 0.000 2.086) 2.092 1.866 ( 14.485 0.000 4.659) 15.216 1.935 ( 6.117 0.000 1.330) 6.260 2.187 ( 1.118 0.000 7.665) 7.746 2.206 ( 3.149 0.000 9.532) 10.039 2.286 ( 4.024 0.000 0.116) 4.025 2.519 ( 8.435 0.000 -3.688) 9.206 2.525 ( -1.611 0.000 0.332) 1.645 2.597 ( -0.006 0.000 3.404) 3.404 2.657 ( -4.547 0.000 2.983) 5.438 2.861 ( 3.963 0.000 -3.787) 5.481 2.964 ( 0.686 0.000 -0.896) 1.128 3.006 ( 3.111 0.000 -4.879) 5.786 3.063 ( -3.198 0.000 8.998) 9.549 3.381 ( -11.715 0.000 2.824) 12.050 3.481 ( 2.963 0.000 1.141) 3.175 3.701 ( -2.647 0.000 4.480) 5.204 3.718 ( -5.911 0.000 -4.879) 7.664 3.922 ( -2.879 0.000 -0.540) 2.929 4.037 ( -3.158 0.000 0.737) 3.242 4.068 ( -2.636 0.000 -3.659) 4.509 4.253 ( 3.798 0.000 11.684) 12.286 4.394 ( 2.375 0.000 -1.484) 2.800 4.483 ( 3.253 0.000 -1.494) 3.579 4.741 ( -6.969 0.000 1.964) 7.241 4.952 ( 4.066 0.000 -0.278) 4.076 5.054 ( -0.402 0.000 -5.050) 5.065 5.172 ( 2.493 0.000 -1.846) 3.102 5.422 ( 1.537 0.000 2.853) 3.241 5.473 ( 0.462 0.000 -0.625) 0.777 5.881 ( 1.678 0.000 -1.958) 2.579 5.891 ( 1.493 0.000 1.547) 2.150 5.980 ( 8.266 0.000 -0.245) 8.270 6.011 ( 7.220 0.000 -0.698) 7.253 6.097 ( -0.707 0.000 0.441) 0.833 6.232 ( 3.758 0.000 -1.429) 4.021 6.496 ( -10.101 0.000 4.668) 11.127 6.875 ( -7.378 0.000 -6.092) 9.568 6.896 ( -5.629 0.000 -4.643) 7.297 7.115 ( 0.347 0.000 -3.440) 3.458 10.934 ( -0.845 0.000 1.452) 1.680 11.034 ( -0.166 0.000 -0.612) 0.634 11.124 ( -0.414 0.000 1.833) 1.879 11.239 ( 4.826 0.000 -2.420) 5.398 11.306 ( -1.401 0.000 -0.914) 1.672 11.384 ( 3.803 0.000 -2.229) 4.408 11.685 ( 0.443 0.000 -0.867) 0.974 11.811 ( -2.185 0.000 -11.798) 11.998 12.748 ( -9.078 0.000 18.085) 20.235 13.417 ( 3.109 0.000 -4.171) 5.203 13.798 ( -0.473 0.000 0.639) 0.795 13.819 ( -0.218 0.000 0.207) 0.301 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -13.379 0.000 12.086) 18.030 0.733 ( -9.962 0.000 15.744) 18.631 1.046 ( -3.382 0.000 -8.220) 8.888 1.151 ( -4.122 0.000 22.197) 22.577 1.297 ( 2.465 0.000 -10.018) 10.317 1.305 ( -1.512 0.000 -4.293) 4.552 1.493 ( -5.082 0.000 -0.485) 5.105 1.621 ( 9.148 0.000 -4.813) 10.337 1.671 ( 0.881 0.000 -3.172) 3.292 2.070 ( 2.661 0.000 5.586) 6.187 2.108 ( 6.303 0.000 2.069) 6.633 2.201 ( 1.396 0.000 -5.720) 5.888 2.346 ( 2.379 0.000 6.863) 7.264 2.436 ( -0.074 0.000 4.707) 4.707 2.482 ( -1.898 0.000 -3.389) 3.884 2.520 ( -6.751 0.000 -5.055) 8.434 2.657 ( 11.389 0.000 -4.317) 12.180 2.667 ( 4.513 0.000 3.775) 5.884 2.906 ( 3.930 0.000 -0.371) 3.948 2.979 ( 0.571 0.000 1.319) 1.437 3.088 ( 7.349 0.000 2.572) 7.786 3.098 ( -3.766 0.000 7.320) 8.232 3.295 ( -4.770 0.000 9.453) 10.589 3.496 ( 0.397 0.000 -1.949) 1.989 3.531 ( -8.377 0.000 -0.344) 8.384 3.796 ( 3.191 0.000 6.722) 7.441 3.860 ( -4.127 0.000 -1.913) 4.549 3.946 ( -2.933 0.000 -4.980) 5.780 3.957 ( -5.264 0.000 -0.131) 5.266 4.382 ( 0.975 0.000 -0.853) 1.296 4.516 ( 7.204 0.000 5.503) 9.066 4.526 ( 1.938 0.000 -0.134) 1.942 4.693 ( -2.070 0.000 3.838) 4.360 4.881 ( -9.520 0.000 -6.030) 11.269 5.000 ( 0.203 0.000 1.967) 1.977 5.166 ( 2.877 0.000 -5.550) 6.251 5.432 ( 0.004 0.000 -2.031) 2.031 5.487 ( 2.230 0.000 -1.849) 2.897 5.923 ( 0.995 0.000 0.422) 1.081 6.002 ( 6.247 0.000 1.653) 6.462 6.077 ( -0.020 0.000 -1.626) 1.626 6.095 ( 4.910 0.000 -0.656) 4.954 6.123 ( 5.802 0.000 0.790) 5.856 6.288 ( 5.166 0.000 -2.222) 5.624 6.404 ( -9.621 0.000 8.135) 12.600 6.679 ( -6.810 0.000 1.348) 6.942 6.717 ( -6.237 0.000 -7.328) 9.623 7.041 ( -1.943 0.000 -6.290) 6.583 10.935 ( -0.769 0.000 1.324) 1.531 11.016 ( -0.416 0.000 -1.346) 1.409 11.163 ( -0.195 0.000 3.343) 3.349 11.295 ( 4.965 0.000 -2.595) 5.602 11.303 ( 0.991 0.000 1.907) 2.149 11.414 ( 4.266 0.000 -6.287) 7.597 11.647 ( -2.393 0.000 -5.161) 5.689 11.685 ( -0.506 0.000 -0.641) 0.817 12.841 ( -6.937 0.000 18.900) 20.133 13.360 ( 1.313 0.000 -9.470) 9.561 13.799 ( -0.410 0.000 0.752) 0.857 13.816 ( -0.171 0.000 -0.058) 0.181 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 1.028 6.715 10.237) 12.286 0.938 ( 2.391 3.026 -5.894) 7.043 0.981 ( -0.809 7.811 9.212) 12.105 1.196 ( -0.091 0.240 -4.689) 4.696 1.322 ( 2.862 3.572 -6.078) 7.609 1.338 ( -1.310 0.638 -4.641) 4.865 1.568 ( -4.925 0.141 5.963) 7.735 1.660 ( 2.510 -1.591 -4.709) 5.569 1.758 ( 7.245 3.930 13.362) 15.700 1.967 ( -6.768 -6.348 -2.209) 9.539 2.116 ( 1.063 -3.398 4.621) 5.833 2.190 ( -1.880 -3.247 -3.791) 5.334 2.301 ( 3.221 1.218 0.782) 3.531 2.332 ( -2.199 -1.116 -0.509) 2.518 2.458 ( 1.334 0.797 -2.702) 3.117 2.466 ( -3.302 1.256 -1.940) 4.031 2.604 ( -3.965 -4.630 4.943) 7.848 2.729 ( 3.950 -1.761 -4.863) 6.508 2.952 ( 0.750 -1.487 3.807) 4.156 3.017 ( 0.720 -2.699 0.142) 2.797 3.148 ( 0.214 3.064 6.211) 6.929 3.258 ( -0.035 1.665 -3.964) 4.299 3.404 ( -3.563 5.089 6.745) 9.170 3.522 ( 5.951 2.877 -1.549) 6.789 3.549 ( 2.772 3.128 6.308) 7.567 3.723 ( -5.859 2.396 -5.739) 8.544 3.911 ( -1.043 2.082 0.728) 2.440 3.941 ( 0.631 3.926 -2.059) 4.478 4.093 ( 1.689 7.966 11.592) 14.166 4.378 ( 0.742 4.048 -9.582) 10.428 4.514 ( -1.127 -1.280 1.033) 1.994 4.543 ( -2.671 -0.182 -2.763) 3.848 4.683 ( 0.899 -4.146 8.094) 9.138 4.790 ( 1.336 0.503 -1.346) 1.962 5.060 ( -0.306 0.837 0.315) 0.945 5.154 ( 1.577 -0.638 -7.540) 7.730 5.375 ( -1.378 -3.360 2.095) 4.193 5.456 ( 2.119 -1.433 -4.204) 4.921 5.909 ( -0.925 -2.179 2.314) 3.310 5.968 ( -2.090 -0.071 -2.492) 3.253 6.014 ( 2.236 -7.404 1.356) 7.852 6.050 ( -2.453 -5.024 -1.687) 5.840 6.209 ( 1.777 -2.422 2.083) 3.656 6.255 ( -1.287 -3.084 -1.763) 3.778 6.449 ( -2.837 4.307 7.677) 9.248 6.622 ( 2.682 3.225 -7.334) 8.449 6.780 ( 3.749 3.247 4.850) 6.937 6.919 ( -2.400 1.063 -7.042) 7.515 10.935 ( 0.564 -0.460 1.705) 1.854 10.977 ( -0.064 -0.794 -1.872) 2.035 11.162 ( -1.626 -0.591 3.103) 3.552 11.254 ( 1.852 -2.969 -4.561) 5.749 11.393 ( -1.548 2.288 0.369) 2.787 11.427 ( 1.881 2.446 -2.233) 3.809 11.635 ( 3.635 -1.046 0.259) 3.792 11.659 ( -3.718 1.471 -2.659) 4.802 12.969 ( -4.071 2.027 16.693) 17.301 13.279 ( 3.555 -0.343 -11.554) 12.093 13.801 ( -0.156 -0.099 0.707) 0.731 13.812 ( 0.085 -0.087 -0.295) 0.319 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 7.376 2.367 -2.613) 8.175 0.934 ( 8.912 3.321 -1.981) 9.715 1.104 ( 0.681 4.160 -0.720) 4.277 1.141 ( 1.868 6.080 0.800) 6.410 1.258 ( -2.342 -0.574 -1.897) 3.068 1.343 ( 2.445 2.580 1.855) 4.009 1.519 ( -6.599 -1.869 3.491) 7.696 1.609 ( -3.754 -3.004 -1.857) 5.155 1.796 ( -2.688 0.996 -7.749) 8.262 1.990 ( 1.455 -3.558 8.147) 9.008 2.107 ( -2.571 -4.642 -2.434) 5.838 2.195 ( 0.969 -2.295 0.852) 2.632 2.247 ( -1.943 -2.076 -0.872) 2.974 2.358 ( -1.387 -2.277 -1.150) 2.904 2.484 ( 4.990 4.860 3.948) 8.007 2.502 ( 1.881 1.667 2.591) 3.610 2.558 ( -5.488 -1.648 3.471) 6.699 2.653 ( -5.306 -0.588 -4.710) 7.119 2.915 ( -2.880 -0.444 -2.010) 3.540 3.025 ( -0.425 -2.209 -0.335) 2.274 3.157 ( -3.289 4.013 -0.540) 5.217 3.219 ( -0.075 1.967 -0.064) 1.970 3.404 ( 0.002 -0.535 1.109) 1.231 3.495 ( -3.692 0.758 -3.591) 5.206 3.688 ( 8.852 6.051 -4.841) 11.765 3.766 ( 6.104 1.745 7.477) 9.809 3.923 ( 0.922 3.747 1.472) 4.130 3.963 ( 3.940 3.061 -0.333) 5.000 4.208 ( -0.723 6.682 -13.685) 15.246 4.267 ( 0.515 4.369 9.584) 10.546 4.475 ( -5.072 -2.271 1.758) 5.829 4.518 ( -1.283 -1.812 1.476) 2.666 4.761 ( 2.070 -0.802 -0.080) 2.221 4.831 ( 5.703 -0.497 -0.935) 5.801 5.060 ( -2.820 -1.607 0.171) 3.250 5.074 ( -1.607 -1.290 -1.117) 2.344 5.391 ( -0.701 -1.722 2.714) 3.290 5.429 ( 1.123 -0.856 -4.077) 4.315 5.874 ( -3.062 -2.326 2.134) 4.398 5.954 ( -5.335 -8.221 -2.138) 10.031 6.004 ( 1.792 0.735 2.364) 3.057 6.030 ( -2.930 -3.611 1.960) 5.046 6.144 ( -5.046 -1.500 -1.944) 5.612 6.197 ( -5.287 -2.670 1.473) 6.104 6.582 ( 7.178 2.662 5.020) 9.154 6.662 ( 9.078 3.786 -5.337) 11.190 6.807 ( 0.265 2.809 -5.442) 6.130 6.914 ( 3.715 1.251 4.467) 5.943 10.942 ( -0.303 -1.137 -1.212) 1.689 10.980 ( 1.630 0.008 0.555) 1.722 11.169 ( -2.121 -0.693 3.464) 4.120 11.206 ( -0.776 -2.036 -3.351) 3.997 11.385 ( -0.718 2.245 -0.139) 2.361 11.441 ( 1.961 3.914 -1.056) 4.503 11.578 ( -2.480 -0.190 0.390) 2.517 11.712 ( 2.918 1.678 0.435) 3.394 13.082 ( -2.917 -0.678 10.934) 11.337 13.190 ( 2.622 -1.494 -10.607) 11.027 13.807 ( 0.044 -0.178 0.313) 0.363 13.812 ( 0.284 -0.121 -0.243) 0.393 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 9.423 -0.901 -7.213) 11.901 1.010 ( 3.283 1.607 -12.388) 12.916 1.057 ( 1.432 1.479 1.293) 2.431 1.231 ( -1.368 4.961 6.786) 8.516 1.272 ( 0.763 1.660 6.566) 6.815 1.399 ( -0.732 3.629 3.093) 4.824 1.458 ( -1.608 -2.060 0.820) 2.739 1.576 ( -0.014 -3.387 4.542) 5.666 1.729 ( 2.465 1.948 -5.052) 5.950 1.940 ( -10.855 -3.532 -2.465) 11.679 2.009 ( -6.643 -3.228 -5.332) 9.109 2.127 ( -1.477 -1.877 -1.827) 3.007 2.281 ( -1.095 -4.936 2.436) 5.612 2.317 ( 2.520 -3.890 0.571) 4.670 2.467 ( -4.522 1.684 -0.645) 4.868 2.505 ( -2.255 0.585 -4.633) 5.186 2.606 ( 2.978 1.667 2.244) 4.084 2.618 ( 0.498 -0.186 5.507) 5.532 2.855 ( -0.075 -0.040 -4.342) 4.342 2.973 ( -0.272 -2.096 -4.418) 4.898 3.107 ( 0.185 6.834 -3.506) 7.684 3.256 ( 2.013 0.959 1.079) 2.477 3.394 ( 2.008 -2.305 -3.526) 4.666 3.487 ( 1.994 1.739 4.248) 5.005 3.755 ( 2.262 4.439 -2.197) 5.445 3.803 ( 1.160 -2.889 -7.568) 8.183 3.989 ( 1.187 5.217 -0.154) 5.352 4.068 ( 5.036 2.553 1.527) 5.849 4.077 ( 1.634 6.266 -3.167) 7.208 4.318 ( -6.107 -3.178 1.897) 7.141 4.398 ( -1.256 -1.110 -0.808) 1.861 4.494 ( -2.600 -0.057 1.750) 3.135 4.790 ( 3.588 0.747 -2.419) 4.391 4.903 ( -6.586 -5.833 -1.657) 8.952 4.953 ( 3.179 -1.197 -1.390) 3.670 5.097 ( -1.572 0.107 4.662) 4.921 5.409 ( 1.073 1.264 0.888) 1.880 5.464 ( 3.193 1.050 3.846) 5.108 5.808 ( -6.698 -7.967 -1.728) 10.551 5.874 ( -1.004 -2.241 1.808) 3.050 5.961 ( -6.712 -0.855 1.261) 6.883 6.007 ( -3.739 1.882 -0.021) 4.186 6.088 ( 0.923 -0.711 -0.953) 1.505 6.141 ( -4.098 -2.827 3.027) 5.827 6.690 ( 7.218 4.187 -7.623) 11.302 6.790 ( 7.110 1.996 3.854) 8.330 6.869 ( 7.079 3.994 3.054) 8.683 7.007 ( 0.945 -0.251 4.039) 4.155 10.928 ( 0.624 -1.531 -1.335) 2.125 11.017 ( 1.633 0.258 0.610) 1.762 11.157 ( -0.688 -1.262 -0.806) 1.648 11.184 ( -0.255 1.227 1.079) 1.654 11.365 ( -1.346 3.021 0.172) 3.312 11.448 ( -0.265 5.749 -0.170) 5.758 11.599 ( 0.437 -0.471 5.190) 5.230 11.734 ( -0.773 5.152 1.026) 5.309 13.037 ( 2.600 -6.883 -13.159) 15.077 13.208 ( -1.982 -4.385 7.577) 8.976 13.807 ( 0.234 -0.439 -0.513) 0.715 13.817 ( 0.177 -0.163 0.185) 0.304 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 5.636 0.001 -9.629) 11.157 1.034 ( 5.504 -0.927 -0.711) 5.627 1.106 ( 1.034 3.232 3.911) 5.178 1.284 ( -3.147 0.923 4.890) 5.888 1.296 ( -1.787 3.946 3.759) 5.735 1.433 ( -1.601 0.195 6.291) 6.495 1.490 ( -3.232 0.165 2.252) 3.942 1.615 ( -0.646 -1.593 -2.532) 3.060 1.705 ( -3.607 -2.072 -0.956) 4.268 1.735 ( -4.222 0.671 -1.575) 4.556 1.823 ( -1.959 -2.990 -3.850) 5.254 2.099 ( 0.790 -5.089 -1.572) 5.385 2.290 ( -1.408 -1.313 -1.164) 2.250 2.299 ( -2.368 0.741 -7.523) 7.922 2.436 ( 4.512 -0.533 -0.231) 4.550 2.514 ( 4.154 -2.275 1.755) 5.052 2.615 ( 1.588 -2.200 -5.374) 6.020 2.669 ( -2.047 3.029 4.314) 5.655 2.797 ( -0.788 -4.040 -1.159) 4.277 2.969 ( 5.704 0.876 -6.331) 8.567 3.080 ( 0.988 6.650 -2.269) 7.095 3.261 ( 0.990 1.469 -3.411) 3.843 3.392 ( 0.641 -4.369 -3.112) 5.402 3.586 ( 3.406 0.126 1.002) 3.553 3.674 ( -2.577 -0.692 -2.695) 3.792 3.794 ( -0.448 -2.018 -2.818) 3.495 3.919 ( -4.311 -1.126 -0.659) 4.504 4.093 ( 1.196 2.719 -2.803) 4.084 4.127 ( -2.401 -2.369 0.671) 3.439 4.221 ( 0.257 -0.866 0.107) 0.910 4.402 ( 1.234 1.569 -1.230) 2.345 4.513 ( 2.078 4.371 1.428) 5.046 4.654 ( -12.519 -10.321 -1.791) 16.324 4.872 ( 4.916 -1.158 -2.885) 5.816 5.013 ( 2.097 2.208 2.219) 3.767 5.116 ( -0.968 0.110 2.235) 2.438 5.440 ( 1.802 0.644 -0.462) 1.969 5.533 ( -1.031 1.281 2.137) 2.696 5.751 ( -0.893 -4.358 1.586) 4.723 5.856 ( -5.999 0.777 1.495) 6.231 5.896 ( 0.847 1.899 3.246) 3.855 5.936 ( -3.347 3.450 -0.700) 4.857 6.102 ( 0.989 -0.831 -0.746) 1.492 6.130 ( -1.927 -1.861 4.035) 4.843 6.725 ( 6.635 2.988 -5.084) 8.877 6.958 ( 5.667 2.482 4.240) 7.500 7.020 ( 4.650 4.245 3.497) 7.202 7.038 ( -2.143 -0.970 3.018) 3.827 10.934 ( 1.493 -0.977 -0.671) 1.906 11.040 ( 0.168 0.215 -0.077) 0.283 11.162 ( 1.636 1.727 0.288) 2.396 11.198 ( 0.927 2.824 0.027) 2.972 11.345 ( -1.191 3.627 0.592) 3.863 11.441 ( -1.330 6.615 1.274) 6.867 11.670 ( -1.191 -0.185 6.078) 6.196 11.750 ( -0.569 4.399 4.932) 6.633 12.945 ( 5.958 -9.628 -13.062) 17.286 13.210 ( -5.248 -9.244 2.213) 10.858 13.804 ( 0.229 -0.629 -0.592) 0.894 13.818 ( -0.062 -0.382 -0.144) 0.413 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 7.922 0.124 -0.462) 7.936 1.118 ( 3.339 -2.009 1.996) 4.379 1.193 ( -4.720 0.026 3.253) 5.732 1.234 ( -1.702 2.578 3.728) 4.842 1.326 ( 1.825 2.898 3.087) 4.611 1.417 ( -1.739 4.325 0.294) 4.671 1.450 ( -7.116 0.849 4.726) 8.584 1.521 ( -2.987 1.197 -7.085) 7.782 1.599 ( 1.496 -5.573 -1.659) 6.004 1.705 ( -0.584 -1.695 -0.872) 1.994 1.907 ( 3.245 -2.615 3.907) 5.713 2.097 ( -2.068 2.168 -7.994) 8.537 2.112 ( 1.089 -2.936 -4.147) 5.197 2.277 ( 0.209 -2.602 -4.126) 4.882 2.466 ( -0.385 -1.171 1.374) 1.846 2.549 ( -0.893 -0.898 -3.533) 3.753 2.646 ( -1.280 1.482 2.460) 3.144 2.667 ( 5.374 1.235 -0.957) 5.596 2.835 ( 2.799 -5.878 1.659) 6.718 2.972 ( 2.466 -2.870 -5.655) 6.804 3.088 ( 1.885 6.487 -0.796) 6.802 3.207 ( -1.053 2.529 -5.085) 5.776 3.360 ( 1.775 -1.549 -2.497) 3.433 3.503 ( -9.168 1.533 -3.887) 10.075 3.707 ( 5.699 -8.122 3.476) 10.514 3.748 ( -3.822 -6.555 2.844) 8.103 3.851 ( 1.964 -5.398 -5.106) 7.686 4.004 ( -6.999 -5.127 -4.537) 9.790 4.160 ( 4.759 -0.445 1.250) 4.940 4.253 ( 0.217 1.729 1.835) 2.531 4.404 ( 1.428 -0.785 -3.255) 3.640 4.440 ( -6.643 1.621 -0.545) 6.860 4.617 ( 3.235 -1.875 4.246) 5.658 4.839 ( -2.421 -2.074 -5.392) 6.264 5.105 ( 3.584 4.543 2.885) 6.466 5.124 ( -1.092 1.872 2.257) 3.129 5.478 ( 4.341 -2.741 -1.108) 5.252 5.516 ( -3.615 -2.333 1.541) 4.570 5.758 ( 1.538 2.350 -0.024) 2.809 5.791 ( -3.744 2.894 1.840) 5.077 5.881 ( -1.405 3.001 0.167) 3.317 5.967 ( -0.143 4.878 1.981) 5.267 6.105 ( 0.634 -0.321 0.324) 0.781 6.147 ( -1.046 0.348 1.828) 2.135 6.817 ( 7.614 -0.238 0.077) 7.618 6.973 ( -6.615 -1.443 1.057) 6.853 7.085 ( 2.695 3.257 2.607) 4.966 7.108 ( 1.699 5.443 1.841) 5.991 10.961 ( 1.994 0.010 0.152) 2.000 11.020 ( -1.388 0.848 -1.014) 1.916 11.191 ( 0.289 3.831 0.538) 3.880 11.208 ( 0.718 3.938 -0.672) 4.059 11.364 ( 2.625 3.530 0.939) 4.498 11.423 ( -2.347 6.574 0.777) 7.024 11.731 ( 1.092 -0.470 5.545) 5.671 11.796 ( -2.728 1.776 5.645) 6.517 12.953 ( 10.017 -11.399 -8.150) 17.225 13.080 ( -9.637 -10.805 -2.015) 14.618 13.803 ( 0.340 -0.729 -0.371) 0.886 13.811 ( -0.374 -0.567 -0.346) 0.763 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -12.231 -1.089 -1.844) 12.417 1.189 ( -4.548 2.952 3.170) 6.281 1.200 ( 8.786 -2.615 -0.010) 9.167 1.257 ( -2.937 -1.669 2.499) 4.202 1.337 ( 2.160 1.005 6.917) 7.316 1.415 ( 1.584 1.640 -6.254) 6.657 1.450 ( 3.420 4.995 -4.191) 7.363 1.503 ( 8.885 2.054 1.997) 9.335 1.660 ( -1.202 -3.355 -3.163) 4.764 1.666 ( 2.018 -2.619 1.825) 3.776 1.935 ( -0.997 0.482 1.286) 1.697 1.990 ( 1.293 3.447 -5.256) 6.417 2.130 ( -2.717 -3.439 2.137) 4.876 2.227 ( 3.070 -3.910 -5.367) 7.316 2.472 ( -2.552 -0.408 2.014) 3.276 2.497 ( -1.218 -2.119 -0.456) 2.486 2.598 ( -6.606 0.509 4.020) 7.750 2.726 ( 2.338 2.800 -2.666) 4.518 2.839 ( -6.073 -6.515 1.336) 9.007 2.957 ( 4.417 -2.618 -4.204) 6.636 3.064 ( -6.639 3.037 1.276) 7.411 3.171 ( 3.528 4.237 -1.958) 5.851 3.327 ( -2.752 2.931 0.634) 4.070 3.463 ( 6.472 -1.019 -0.489) 6.570 3.717 ( -1.585 -8.568 3.242) 9.297 3.804 ( -6.137 -6.573 -5.214) 10.395 3.881 ( 6.834 -2.202 -4.422) 8.433 3.907 ( 9.660 -11.814 2.880) 15.530 4.193 ( -5.016 1.381 2.051) 5.592 4.229 ( -3.459 -0.474 -0.829) 3.589 4.373 ( 0.003 3.544 1.408) 3.813 4.443 ( 4.765 0.538 -1.318) 4.973 4.691 ( -3.155 -2.211 -0.285) 3.863 4.754 ( 3.015 -1.605 -0.173) 3.420 5.118 ( -2.756 3.318 1.200) 4.477 5.165 ( 1.829 1.579 -0.736) 2.526 5.457 ( -3.992 -2.905 0.694) 4.986 5.553 ( 5.594 -3.643 -1.789) 6.911 5.732 ( -3.951 3.335 1.949) 5.526 5.824 ( 4.502 3.631 -0.405) 5.798 5.908 ( -0.911 4.120 1.605) 4.515 5.932 ( 0.729 4.227 -0.367) 4.305 6.126 ( -1.287 0.452 0.179) 1.376 6.151 ( 1.670 0.992 0.721) 2.072 6.828 ( -10.104 -1.572 -0.419) 10.234 6.961 ( 6.367 -2.073 2.198) 7.047 7.112 ( -1.719 4.341 0.353) 4.682 7.134 ( 0.299 5.326 -0.342) 5.345 10.974 ( -1.938 1.281 -0.811) 2.460 11.004 ( 1.947 0.179 0.260) 1.973 11.190 ( -0.668 2.352 0.760) 2.560 11.206 ( -0.345 4.939 -0.686) 4.998 11.379 ( -1.913 3.919 -0.462) 4.385 11.442 ( 4.819 7.249 -0.726) 8.735 11.773 ( -3.707 0.860 2.747) 4.693 11.846 ( 4.445 -0.975 2.164) 5.039 12.859 ( -13.143 -10.518 -0.600) 16.844 13.075 ( 10.601 -11.613 -2.420) 15.910 13.800 ( -0.479 -0.648 -0.140) 0.818 13.807 ( 0.376 -0.634 -0.033) 0.738 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -13.622 1.794 3.019) 14.067 1.001 ( -11.835 2.774 0.565) 12.169 1.275 ( 0.517 1.249 -4.104) 4.321 1.351 ( 4.861 -0.116 -2.774) 5.598 1.411 ( 8.101 -0.332 -5.891) 10.022 1.475 ( 1.591 -1.157 5.702) 6.031 1.532 ( 5.292 0.703 -1.896) 5.665 1.573 ( 3.413 -1.741 1.746) 4.211 1.648 ( 2.122 1.169 -2.311) 3.348 1.686 ( -0.921 2.006 1.538) 2.690 1.890 ( -4.396 -3.167 -5.253) 7.547 2.012 ( 1.980 1.414 9.111) 9.430 2.096 ( -0.567 0.405 0.441) 0.825 2.278 ( 3.513 -1.797 2.033) 4.439 2.427 ( -3.009 -0.899 1.395) 3.436 2.506 ( -1.388 -3.698 1.061) 4.090 2.533 ( -2.771 -1.711 2.133) 3.893 2.735 ( 0.937 3.987 0.987) 4.213 2.764 ( -2.602 -8.252 1.347) 8.757 2.918 ( -3.160 1.218 -3.324) 4.745 3.025 ( -0.299 3.417 2.640) 4.328 3.225 ( 2.944 5.861 0.241) 6.563 3.358 ( 2.313 -1.384 -0.278) 2.710 3.511 ( -2.311 0.300 4.516) 5.082 3.663 ( -3.772 -5.033 -2.149) 6.647 3.797 ( 4.335 -4.422 0.565) 6.218 3.940 ( 5.627 -2.117 -3.472) 6.943 4.062 ( -1.041 0.464 0.371) 1.198 4.119 ( 2.345 -2.246 0.391) 3.270 4.182 ( -4.291 2.465 3.978) 6.349 4.384 ( 0.685 2.108 -0.047) 2.217 4.507 ( 0.524 3.689 0.840) 3.819 4.670 ( 7.028 -10.773 -1.715) 12.977 4.810 ( -1.380 -2.810 2.282) 3.874 5.052 ( -4.616 2.947 -0.875) 5.546 5.163 ( 0.651 0.447 -2.221) 2.357 5.415 ( -1.915 -0.614 1.167) 2.325 5.589 ( 1.972 2.439 -2.970) 4.319 5.738 ( 1.708 -3.885 1.943) 4.668 5.873 ( 3.544 2.428 -0.915) 4.392 5.922 ( 3.158 2.318 0.830) 4.004 5.980 ( 0.583 3.687 -0.354) 3.750 6.091 ( -1.163 -0.426 -0.720) 1.433 6.186 ( 1.757 -0.247 -0.682) 1.901 6.647 ( -10.757 -0.014 1.655) 10.883 7.033 ( -3.046 1.923 -1.999) 4.120 7.064 ( -0.264 0.140 -0.750) 0.807 7.106 ( -0.765 3.821 -2.066) 4.411 10.933 ( -1.623 0.437 -0.568) 1.774 11.035 ( 0.866 -0.290 0.296) 0.960 11.173 ( -2.427 4.032 -0.536) 4.737 11.195 ( 0.627 0.687 0.143) 0.941 11.358 ( 0.618 4.129 -0.741) 4.240 11.492 ( 2.837 7.390 -2.693) 8.362 11.747 ( -0.002 3.950 -0.518) 3.984 11.901 ( 2.800 -1.717 -5.953) 6.799 12.676 ( -12.104 -8.716 9.153) 17.500 13.226 ( 7.987 -10.648 -0.235) 13.313 13.794 ( -0.353 -0.558 0.280) 0.717 13.813 ( 0.177 -0.410 0.201) 0.490 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -8.631 1.679 15.276) 17.626 0.824 ( -12.898 5.621 5.986) 15.290 1.200 ( 1.053 1.469 -9.606) 9.774 1.351 ( 2.005 -0.886 -4.380) 4.898 1.374 ( -6.954 1.243 -2.680) 7.556 1.466 ( -9.974 8.243 0.736) 12.960 1.521 ( 9.639 0.000 -6.908) 11.859 1.623 ( -3.276 2.922 1.913) 4.788 1.665 ( 1.975 -1.758 -0.671) 2.728 1.852 ( 9.633 -2.803 7.584) 12.576 1.878 ( 6.621 -4.058 1.797) 7.971 2.067 ( -0.221 -4.639 3.006) 5.532 2.251 ( 4.525 2.302 13.919) 14.816 2.325 ( 0.520 1.785 -3.112) 3.625 2.379 ( -2.719 -8.269 -0.087) 8.705 2.518 ( 4.652 -2.330 -1.100) 5.318 2.571 ( 2.437 -0.315 1.689) 2.982 2.735 ( -1.577 -1.065 -1.388) 2.355 2.807 ( 1.919 0.092 6.311) 6.597 2.853 ( -0.728 -0.164 -2.831) 2.928 3.048 ( -0.514 3.928 2.135) 4.500 3.248 ( 0.871 4.150 -0.900) 4.335 3.342 ( -2.919 -1.185 0.262) 3.161 3.526 ( -1.494 2.605 1.731) 3.466 3.643 ( -1.593 -2.541 4.520) 5.425 3.768 ( -2.855 3.333 -2.936) 5.280 3.968 ( -0.332 2.850 -0.130) 2.872 4.051 ( -2.258 2.398 0.680) 3.363 4.149 ( -3.229 4.600 -2.319) 6.080 4.211 ( 5.747 -3.907 8.125) 10.692 4.404 ( 1.494 0.582 -0.500) 1.680 4.519 ( 1.595 3.296 0.067) 3.662 4.740 ( -6.704 -1.630 0.776) 6.943 4.863 ( 11.946 -9.776 1.451) 15.504 4.960 ( -4.993 -0.862 -0.677) 5.112 5.155 ( 1.363 -0.823 -1.832) 2.427 5.413 ( -0.504 0.528 1.271) 1.466 5.583 ( 1.377 5.262 -4.517) 7.070 5.791 ( 2.818 -8.693 0.496) 9.152 5.908 ( -0.205 1.064 -2.363) 2.600 5.976 ( 5.886 -0.102 0.229) 5.892 6.017 ( 6.061 1.987 -0.879) 6.439 6.073 ( -1.373 -1.837 0.316) 2.315 6.201 ( 2.573 -2.677 -2.102) 4.266 6.527 ( -9.069 2.669 6.525) 11.487 6.878 ( -8.543 1.535 -5.076) 10.055 6.971 ( -5.681 4.684 -4.387) 8.571 7.094 ( 0.427 -1.538 -2.986) 3.386 10.909 ( -0.772 -0.580 0.215) 0.989 11.030 ( -1.242 -0.838 -0.595) 1.612 11.135 ( -1.252 1.409 0.541) 1.961 11.215 ( 2.303 -0.846 -1.172) 2.719 11.375 ( 1.578 5.415 -0.052) 5.641 11.482 ( 0.855 5.096 -3.274) 6.117 11.760 ( 2.335 6.514 -1.979) 7.197 11.787 ( -2.748 -2.072 -10.739) 11.277 12.688 ( -6.196 -4.934 17.380) 19.100 13.323 ( 4.928 -7.630 -2.436) 9.404 13.794 ( -0.286 -0.354 0.579) 0.737 13.817 ( -0.088 -0.194 0.185) 0.282 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -9.674 3.790 11.000) 15.131 0.817 ( -2.490 5.656 15.288) 16.489 1.077 ( -2.679 2.342 -8.102) 8.849 1.261 ( -2.586 -0.218 -3.277) 4.180 1.336 ( 2.609 1.877 -3.233) 4.559 1.386 ( -1.843 11.092 2.483) 11.515 1.528 ( -5.924 4.486 5.230) 9.087 1.616 ( 6.399 -1.217 -4.087) 7.690 1.664 ( 2.644 -0.389 -5.045) 5.709 1.999 ( 1.179 -6.593 4.370) 7.997 2.047 ( 2.252 -4.605 5.030) 7.181 2.183 ( 6.350 -3.115 0.835) 7.122 2.290 ( 0.285 0.985 2.319) 2.535 2.319 ( -1.428 -8.234 -3.885) 9.216 2.472 ( 2.577 1.887 7.677) 8.315 2.551 ( -3.121 -2.794 0.186) 4.194 2.621 ( 2.462 -1.442 -4.715) 5.511 2.680 ( 2.922 1.598 -5.651) 6.560 2.832 ( 2.743 -4.005 4.021) 6.303 2.946 ( 1.858 -2.109 8.349) 8.810 3.077 ( 0.258 5.317 3.505) 6.374 3.269 ( 1.879 4.471 -0.620) 4.889 3.332 ( 0.094 3.958 4.326) 5.864 3.487 ( -1.054 0.374 -2.375) 2.626 3.586 ( -7.812 3.997 2.673) 9.173 3.801 ( 2.732 1.899 2.915) 4.423 3.936 ( -3.840 3.172 1.594) 5.230 4.003 ( -3.341 4.317 -1.725) 5.725 4.025 ( -3.649 6.657 -2.220) 7.909 4.413 ( 1.546 1.786 -2.166) 3.205 4.442 ( 7.703 -4.991 5.718) 10.814 4.555 ( 1.370 1.610 1.056) 2.363 4.657 ( -5.133 -2.601 2.921) 6.454 4.841 ( -6.545 -0.382 -0.315) 6.564 5.036 ( 5.560 -1.605 -1.287) 5.929 5.168 ( 2.943 -0.969 -2.173) 3.784 5.411 ( -0.549 -1.299 -2.010) 2.455 5.485 ( -0.305 1.683 -7.364) 7.560 5.885 ( 2.112 -5.650 1.674) 6.260 5.920 ( 5.430 -6.249 -0.042) 8.278 6.032 ( -0.817 -1.736 -0.618) 2.016 6.083 ( 2.719 -2.054 -0.744) 3.488 6.114 ( 5.016 0.464 -0.498) 5.062 6.237 ( 4.311 -3.349 -1.617) 5.693 6.467 ( -8.420 3.475 7.790) 11.986 6.689 ( -6.309 2.874 0.129) 6.934 6.801 ( -5.677 4.905 -5.797) 9.481 7.032 ( -1.653 -0.610 -5.360) 5.642 10.911 ( 0.088 -0.875 1.048) 1.368 11.000 ( -0.873 -0.982 -0.760) 1.518 11.144 ( -0.075 -0.259 2.126) 2.143 11.242 ( 3.136 -1.583 -2.127) 4.107 11.405 ( 2.884 2.869 -1.591) 4.368 11.449 ( -1.169 3.405 -2.559) 4.417 11.632 ( -2.253 -1.291 -4.440) 5.144 11.746 ( -0.851 4.112 -3.400) 5.403 12.825 ( -3.733 -0.723 18.060) 18.456 13.334 ( 3.562 -2.297 -7.480) 8.598 13.796 ( -0.308 -0.204 0.699) 0.791 13.815 ( -0.138 -0.068 -0.045) 0.160 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 3.060 5.311 3.819) 7.222 1.020 ( 0.907 4.177 -8.086) 9.146 1.082 ( 3.018 1.396 7.783) 8.464 1.185 ( -0.790 -0.926 -1.194) 1.705 1.321 ( -1.294 -1.587 -3.004) 3.636 1.360 ( -0.056 -0.339 -6.901) 6.909 1.527 ( -1.204 -3.174 0.830) 3.494 1.576 ( 1.008 -5.393 -3.053) 6.279 1.811 ( -1.524 -0.115 4.001) 4.283 1.848 ( -1.149 -3.850 0.047) 4.018 2.000 ( 1.036 -6.837 3.981) 7.979 2.089 ( -1.874 -5.671 -3.242) 6.796 2.379 ( -0.980 6.173 8.313) 10.401 2.405 ( 1.703 3.266 2.560) 4.486 2.489 ( -0.400 1.410 2.831) 3.188 2.545 ( 0.886 5.201 -3.636) 6.408 2.613 ( -5.503 8.025 3.702) 10.411 2.721 ( 5.655 1.689 -5.604) 8.139 2.939 ( 3.292 0.066 5.447) 6.365 3.011 ( -2.022 4.589 -0.481) 5.038 3.188 ( 0.388 0.030 2.675) 2.703 3.253 ( -0.155 -0.600 -3.394) 3.450 3.553 ( -2.043 6.280 5.180) 8.393 3.590 ( -0.822 3.237 5.776) 6.672 3.644 ( -0.546 4.764 -1.652) 5.072 3.763 ( 2.212 -0.632 -6.382) 6.784 3.983 ( -0.480 6.167 3.728) 7.222 4.057 ( -0.511 7.017 -2.821) 7.580 4.256 ( 0.854 6.375 9.028) 11.085 4.422 ( 2.740 -1.965 -2.536) 4.219 4.473 ( -0.066 -2.467 0.949) 2.645 4.546 ( -3.278 -0.246 -4.615) 5.666 4.614 ( -0.019 -1.279 9.181) 9.270 4.796 ( 1.076 0.171 -3.992) 4.138 4.952 ( -0.515 -10.029 1.607) 10.170 5.047 ( -1.000 -8.806 -6.719) 11.122 5.370 ( -0.874 2.891 1.807) 3.520 5.471 ( 2.162 2.328 -6.135) 6.909 5.819 ( 1.446 -5.351 3.119) 6.360 5.881 ( 1.516 -4.137 -1.344) 4.606 5.958 ( -0.064 -1.048 -0.541) 1.181 5.972 ( -3.805 -1.529 -2.413) 4.758 6.146 ( 0.222 -3.474 1.490) 3.787 6.180 ( -0.265 -3.825 -1.790) 4.231 6.521 ( -0.604 2.878 5.734) 6.444 6.664 ( 0.917 0.347 -6.675) 6.747 6.868 ( 1.546 4.397 3.511) 5.836 6.956 ( -1.283 1.969 -3.968) 4.612 10.947 ( 1.499 1.450 0.803) 2.235 10.976 ( -0.183 0.749 -1.487) 1.675 11.164 ( -1.116 0.752 1.679) 2.152 11.213 ( 0.607 -1.073 -2.742) 3.007 11.419 ( 0.573 0.288 0.798) 1.023 11.457 ( -0.449 0.503 -1.723) 1.850 11.600 ( 1.714 -1.976 0.939) 2.780 11.656 ( -1.973 -1.972 -4.969) 5.699 13.042 ( -1.532 4.621 12.854) 13.745 13.266 ( 1.157 -1.024 -7.369) 7.529 13.799 ( -0.051 -0.068 0.632) 0.638 13.809 ( 0.028 -0.216 -0.290) 0.363 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 3.759 1.550 -5.933) 7.193 1.024 ( 6.391 2.319 -0.279) 6.805 1.128 ( -0.106 -0.370 -6.454) 6.466 1.213 ( 2.947 -0.267 0.111) 2.961 1.261 ( -1.190 0.556 5.178) 5.342 1.381 ( 4.077 1.276 1.241) 4.449 1.492 ( -4.931 -3.147 3.261) 6.697 1.521 ( -3.120 -1.833 -2.626) 4.471 1.751 ( -5.078 -2.924 1.786) 6.126 1.889 ( 0.112 -4.704 2.199) 5.194 1.997 ( -2.340 -5.420 -2.424) 6.382 2.065 ( -1.110 -7.017 3.053) 7.733 2.340 ( -4.277 5.406 -1.498) 7.054 2.446 ( -2.428 9.682 -3.256) 10.500 2.498 ( -0.679 -0.928 3.217) 3.416 2.542 ( -0.401 0.861 -1.070) 1.431 2.550 ( -3.759 0.504 3.326) 5.045 2.747 ( 3.140 8.679 -3.647) 9.924 2.932 ( -1.844 2.628 -5.007) 5.948 3.016 ( -0.080 3.288 2.234) 3.976 3.215 ( 0.553 -0.842 -2.380) 2.585 3.235 ( 0.108 0.406 3.446) 3.472 3.481 ( -6.153 7.737 0.971) 9.933 3.547 ( -3.636 3.914 -1.464) 5.539 3.741 ( 4.115 -1.382 5.443) 6.962 3.766 ( 2.962 -2.615 -3.909) 5.557 4.057 ( 2.287 7.303 2.577) 8.075 4.065 ( 5.053 6.775 -1.200) 8.537 4.325 ( -4.480 -0.701 -1.374) 4.738 4.356 ( -0.605 5.555 -7.401) 9.274 4.410 ( -4.747 -2.892 -0.225) 5.563 4.463 ( -4.445 -2.710 5.494) 7.569 4.743 ( 2.915 -1.338 1.731) 3.645 4.815 ( 6.431 -0.892 -1.531) 6.670 4.939 ( -3.493 -6.939 -1.631) 7.938 4.992 ( 0.287 -7.140 4.074) 8.226 5.412 ( 1.620 3.173 3.092) 4.717 5.451 ( 3.047 3.131 -4.722) 6.433 5.776 ( -6.016 -6.799 -3.837) 9.856 5.809 ( -3.906 -4.083 2.041) 6.008 5.969 ( 0.128 -1.372 1.937) 2.377 6.014 ( 3.043 0.151 1.897) 3.588 6.104 ( -3.405 -2.132 -1.088) 4.162 6.128 ( -4.416 -3.640 0.658) 5.761 6.624 ( 6.064 1.401 0.955) 6.296 6.701 ( 8.554 -0.014 -1.169) 8.633 6.898 ( 1.023 4.826 -2.474) 5.519 6.962 ( 3.277 2.735 2.328) 4.862 10.944 ( -0.238 1.308 -1.942) 2.353 10.990 ( 2.127 0.839 0.058) 2.287 11.161 ( -1.259 0.448 1.377) 1.919 11.194 ( 0.041 0.127 -0.399) 0.421 11.410 ( -0.581 0.534 -0.619) 1.003 11.497 ( 3.920 0.913 0.304) 4.037 11.566 ( -1.113 -0.476 -0.224) 1.231 11.717 ( 6.336 -1.857 1.112) 6.695 13.076 ( -7.543 0.531 2.467) 7.954 13.166 ( -3.084 -0.809 -2.462) 4.028 13.803 ( -0.063 -0.168 0.016) 0.180 13.808 ( 0.127 -0.210 -0.003) 0.245 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 5.563 -0.811 -8.411) 10.117 1.040 ( -0.556 0.151 -0.423) 0.715 1.105 ( 4.069 3.516 -2.243) 5.826 1.273 ( 1.123 1.878 2.586) 3.387 1.345 ( 4.796 -1.277 1.408) 5.159 1.423 ( -4.458 -0.849 -1.416) 4.754 1.458 ( -0.656 2.099 5.930) 6.325 1.503 ( -0.958 -1.203 6.197) 6.385 1.712 ( -1.667 -3.282 0.765) 3.759 1.845 ( -6.225 -5.588 -1.642) 8.525 1.907 ( -4.228 -3.202 -3.802) 6.526 2.058 ( -3.574 -6.166 2.448) 7.536 2.241 ( -3.129 4.566 -2.898) 6.248 2.369 ( -1.297 5.182 -1.603) 5.577 2.444 ( -2.268 -2.530 -0.051) 3.398 2.519 ( -0.728 1.918 -2.120) 2.949 2.598 ( -0.779 0.125 2.899) 3.004 2.725 ( -0.884 5.889 -0.847) 6.015 2.857 ( 2.897 0.266 -7.844) 8.366 2.984 ( -2.817 2.778 -1.335) 4.175 3.198 ( 1.170 1.416 -2.936) 3.464 3.260 ( -1.845 -0.648 1.656) 2.562 3.395 ( -2.014 3.116 -3.980) 5.441 3.555 ( 0.399 3.548 4.153) 5.477 3.733 ( 0.772 -4.169 -3.440) 5.459 3.794 ( -2.232 -1.158 -1.734) 3.055 4.083 ( -5.663 -0.273 -6.444) 8.583 4.132 ( -2.546 -0.218 0.786) 2.674 4.157 ( 4.829 5.085 0.183) 7.015 4.271 ( -2.578 2.144 -4.201) 5.375 4.359 ( -1.823 -4.128 -1.937) 4.911 4.466 ( -3.811 -2.100 6.358) 7.704 4.777 ( -3.046 -2.783 0.251) 4.134 4.812 ( 3.564 0.663 -6.792) 7.699 4.957 ( 4.282 0.833 1.126) 4.505 5.062 ( 0.822 -3.199 4.560) 5.630 5.441 ( 0.913 0.748 -0.845) 1.452 5.540 ( 2.892 6.197 7.231) 9.952 5.622 ( -3.030 -7.550 -3.873) 9.010 5.827 ( 0.502 -2.041 5.010) 5.433 5.942 ( -5.154 -0.743 1.323) 5.373 6.036 ( -0.382 -0.105 0.138) 0.419 6.077 ( -3.145 -2.744 2.274) 4.753 6.079 ( 0.991 0.205 -1.196) 1.567 6.732 ( 8.433 0.926 -5.060) 9.878 6.851 ( 6.041 0.510 3.351) 6.927 6.946 ( 5.229 4.449 1.313) 6.990 7.041 ( 2.485 3.058 3.125) 5.029 10.929 ( 0.858 1.495 -1.261) 2.136 11.020 ( 1.909 -0.014 -0.883) 2.104 11.167 ( 1.185 1.904 0.960) 2.439 11.215 ( 1.543 1.320 1.263) 2.391 11.415 ( -0.398 2.245 2.434) 3.335 11.537 ( 0.583 2.032 0.780) 2.253 11.603 ( 2.858 1.031 1.683) 3.473 11.827 ( 3.653 1.702 2.116) 4.552 12.887 ( -6.103 -5.363 -10.088) 12.953 13.091 ( -8.282 -6.128 3.695) 10.945 13.798 ( -0.077 -0.344 -0.484) 0.599 13.810 ( -0.086 -0.415 0.130) 0.443 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 6.061 0.970 -6.419) 8.881 1.075 ( -0.567 3.156 5.392) 6.273 1.188 ( 4.121 4.145 0.473) 5.864 1.297 ( 0.375 0.418 1.781) 1.868 1.340 ( -0.229 0.415 -0.494) 0.685 1.439 ( 1.427 -0.567 -0.853) 1.757 1.516 ( -3.606 1.119 10.195) 10.871 1.572 ( 0.879 -1.580 1.731) 2.503 1.598 ( -8.300 -5.356 -2.878) 10.289 1.714 ( -2.613 -5.928 -5.512) 8.506 1.797 ( -4.199 3.205 1.088) 5.394 2.030 ( -2.136 -4.069 1.574) 4.857 2.193 ( 0.192 -0.658 -0.317) 0.755 2.352 ( -0.131 1.749 -5.797) 6.056 2.454 ( 2.933 -2.386 -0.784) 3.861 2.477 ( 4.185 2.298 -4.286) 6.415 2.569 ( -1.693 0.112 -0.681) 1.828 2.693 ( -1.333 -0.821 -2.580) 3.018 2.812 ( -4.259 3.184 1.146) 5.440 2.972 ( 2.397 -1.905 -2.233) 3.790 3.182 ( 1.739 2.637 -3.636) 4.816 3.226 ( -3.291 -3.415 0.273) 4.750 3.313 ( -0.460 -2.408 -4.314) 4.962 3.545 ( -5.403 -6.530 1.511) 8.609 3.673 ( -4.715 -0.059 -5.179) 7.004 3.740 ( 1.582 -0.742 -1.514) 2.312 3.858 ( -6.190 -2.458 -8.107) 10.492 4.117 ( -2.757 2.097 -0.087) 3.464 4.175 ( -2.069 3.225 -4.720) 6.079 4.243 ( 2.347 0.034 -0.403) 2.382 4.288 ( -2.937 -7.574 1.766) 8.313 4.471 ( -2.475 -2.035 2.978) 4.374 4.686 ( -0.684 5.878 -2.781) 6.539 4.840 ( 3.310 -1.300 -4.807) 5.979 5.057 ( 4.797 1.487 2.754) 5.728 5.126 ( 1.250 0.267 3.085) 3.340 5.414 ( -2.094 -2.670 -1.512) 3.715 5.505 ( -3.251 -3.591 0.212) 4.849 5.745 ( 5.706 4.340 3.531) 7.991 5.878 ( -3.624 1.096 2.454) 4.512 5.937 ( 2.684 1.728 8.166) 8.768 6.020 ( -2.236 3.540 -1.008) 4.307 6.076 ( -0.769 -2.751 4.627) 5.438 6.092 ( 2.456 -0.229 -1.005) 2.663 6.776 ( 5.619 1.675 -6.427) 8.699 6.962 ( 0.521 -3.738 1.703) 4.140 7.057 ( 5.349 5.829 3.624) 8.702 7.145 ( 3.540 4.794 4.525) 7.483 10.943 ( 1.817 1.615 -0.236) 2.443 11.033 ( 0.893 -0.476 -0.924) 1.370 11.242 ( 4.441 4.701 2.558) 6.955 11.270 ( 3.859 3.499 0.664) 5.251 11.427 ( -2.616 4.416 2.518) 5.717 11.556 ( 0.577 3.732 0.913) 3.885 11.665 ( -0.268 0.117 4.704) 4.713 11.889 ( -0.130 6.837 3.043) 7.485 12.681 ( -1.032 -13.161 -11.885) 17.763 12.963 ( -9.360 -12.938 0.148) 15.969 13.790 ( -0.082 -0.556 -0.500) 0.752 13.807 ( -0.308 -0.683 -0.193) 0.774 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 7.266 0.983 -2.987) 7.917 1.112 ( -0.050 0.790 1.897) 2.055 1.205 ( -3.829 0.862 -1.199) 4.104 1.291 ( -1.976 1.911 2.579) 3.769 1.405 ( -2.184 -3.859 -4.552) 6.354 1.414 ( 1.185 1.753 0.668) 2.219 1.444 ( -0.089 -0.543 1.800) 1.883 1.543 ( 1.806 1.314 0.409) 2.270 1.567 ( -1.984 3.419 6.457) 7.570 1.689 ( -3.814 0.985 0.177) 3.943 1.840 ( 4.870 -2.853 5.653) 7.988 2.006 ( -3.571 -4.895 2.551) 6.575 2.196 ( -0.456 0.594 -7.382) 7.420 2.209 ( 1.347 1.225 -9.651) 9.822 2.469 ( 0.984 0.764 -1.712) 2.118 2.513 ( -0.242 -1.624 -2.637) 3.106 2.624 ( 9.292 -3.176 -0.066) 9.820 2.684 ( 3.121 -4.068 0.007) 5.127 2.747 ( -6.048 0.832 3.684) 7.130 2.900 ( -5.538 -5.164 -5.059) 9.107 3.161 ( -3.207 -6.114 -0.075) 6.905 3.174 ( 0.192 0.864 -2.302) 2.467 3.296 ( 3.241 -2.590 -2.462) 4.824 3.466 ( -5.647 -6.771 -2.831) 9.260 3.545 ( -1.157 -4.812 0.702) 4.999 3.672 ( -5.191 -1.983 -2.458) 6.076 3.794 ( 6.261 3.769 -4.322) 8.490 3.948 ( -7.361 0.088 -6.493) 9.816 4.171 ( 1.876 0.237 0.532) 1.964 4.242 ( -0.494 -4.073 -1.478) 4.361 4.328 ( 0.208 0.031 5.413) 5.418 4.454 ( -0.672 -0.950 -1.051) 1.568 4.687 ( 1.368 4.688 0.463) 4.906 4.805 ( 0.082 -0.770 -5.098) 5.156 5.143 ( 1.167 0.615 2.081) 2.464 5.176 ( 1.078 1.236 1.410) 2.162 5.390 ( 1.167 -4.066 -0.259) 4.238 5.450 ( -2.937 -3.758 -0.756) 4.829 5.833 ( 3.132 4.100 0.855) 5.230 5.897 ( -1.917 5.659 5.864) 8.372 5.952 ( -2.111 3.331 -0.786) 4.021 6.061 ( 1.290 3.076 0.853) 3.443 6.106 ( 1.214 0.768 3.166) 3.476 6.157 ( 0.848 0.658 3.665) 3.819 6.809 ( 5.226 -0.421 -2.394) 5.763 6.921 ( -4.505 -3.142 -1.186) 5.619 7.186 ( 2.945 5.543 4.058) 7.474 7.232 ( 1.325 5.230 2.378) 5.896 10.979 ( 1.944 1.432 0.502) 2.467 11.029 ( -0.125 0.186 -0.972) 0.998 11.316 ( 3.727 5.919 -0.615) 7.022 11.349 ( -3.251 9.859 1.577) 10.500 11.433 ( 4.245 2.573 3.906) 6.317 11.569 ( -0.015 6.630 -0.177) 6.633 11.716 ( -0.891 -0.801 6.410) 6.521 11.881 ( -3.556 6.472 1.059) 7.460 12.619 ( 7.760 -18.950 -7.334) 21.751 12.775 ( -10.383 -16.676 -3.021) 19.875 13.786 ( 0.211 -0.714 -0.273) 0.793 13.796 ( -0.447 -0.775 -0.380) 0.972 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -6.831 2.399 -3.173) 7.904 1.140 ( 8.320 -2.081 -3.514) 9.268 1.212 ( 0.369 -2.180 7.377) 7.701 1.229 ( -3.969 -0.514 -4.107) 5.735 1.330 ( -0.175 -2.292 4.859) 5.375 1.419 ( 3.803 -2.677 -4.986) 6.818 1.552 ( -3.175 5.199 2.808) 6.708 1.567 ( -2.457 3.180 1.307) 4.226 1.637 ( 3.639 3.217 -1.115) 4.983 1.678 ( 7.233 3.949 0.998) 8.301 1.921 ( -2.565 -1.432 5.341) 6.096 2.012 ( 1.138 -2.463 -2.754) 3.866 2.089 ( 2.114 0.176 -1.474) 2.583 2.155 ( 2.226 -2.583 -8.207) 8.887 2.465 ( -0.956 0.903 1.035) 1.673 2.467 ( -3.076 -0.420 -0.348) 3.124 2.604 ( -9.030 -0.860 2.281) 9.354 2.688 ( -8.104 -7.063 -0.541) 10.764 2.757 ( 5.101 -1.626 -0.306) 5.362 2.890 ( 11.003 -4.004 -2.372) 11.947 3.075 ( -6.502 -1.107 3.154) 7.311 3.200 ( 5.208 -0.750 -1.347) 5.431 3.324 ( -2.384 -3.612 -4.250) 6.066 3.403 ( 8.066 -6.863 1.635) 10.716 3.576 ( -1.026 -3.595 0.501) 3.772 3.656 ( 7.263 -7.874 -0.458) 10.722 3.731 ( -8.716 2.037 -0.285) 8.956 3.915 ( 9.183 4.117 -3.389) 10.619 4.177 ( -3.502 -3.752 1.304) 5.296 4.215 ( -0.545 0.413 -0.281) 0.740 4.406 ( 2.919 -0.432 2.921) 4.152 4.426 ( 0.492 -1.099 -3.384) 3.592 4.696 ( -3.431 2.126 1.118) 4.188 4.761 ( 1.877 1.222 -2.390) 3.275 5.162 ( -1.574 0.807 1.697) 2.451 5.184 ( -0.297 0.606 -0.779) 1.031 5.392 ( -1.771 -3.215 -0.456) 3.699 5.443 ( 4.126 -5.344 -0.253) 6.756 5.846 ( -5.110 6.573 0.223) 8.328 5.906 ( 2.598 3.236 2.610) 4.902 5.989 ( 0.569 1.811 4.194) 4.604 6.027 ( -0.849 4.509 -4.623) 6.514 6.149 ( -2.265 1.989 1.762) 3.492 6.190 ( 1.226 2.526 0.656) 2.884 6.793 ( -7.623 -1.457 -0.621) 7.786 6.904 ( 5.498 -3.186 0.458) 6.371 7.220 ( -3.303 5.301 1.325) 6.385 7.256 ( 0.071 5.202 0.049) 5.203 11.003 ( -1.146 1.227 -1.489) 2.244 11.014 ( 1.167 0.739 0.439) 1.449 11.284 ( -4.596 5.923 1.576) 7.661 11.367 ( 2.013 9.417 0.007) 9.630 11.462 ( -5.717 3.498 1.310) 6.829 11.606 ( 5.356 7.348 -3.058) 9.594 11.813 ( 2.907 0.756 7.152) 7.757 11.836 ( 0.878 3.134 -2.548) 4.134 12.550 ( -11.132 -17.517 -1.949) 20.846 12.745 ( 11.361 -18.156 -1.248) 21.454 13.785 ( -0.325 -0.652 -0.206) 0.757 13.791 ( 0.493 -0.765 0.025) 0.911 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -6.349 7.527 -0.689) 9.871 1.092 ( -5.205 5.090 0.599) 7.305 1.272 ( -1.832 -2.759 1.118) 3.495 1.317 ( 2.496 -1.676 1.705) 3.457 1.361 ( 6.442 -3.563 -4.195) 8.473 1.471 ( -1.429 1.391 -2.480) 3.182 1.513 ( 7.086 -5.431 1.892) 9.126 1.533 ( 1.297 -0.603 0.915) 1.698 1.642 ( 1.932 0.495 -4.389) 4.821 1.800 ( 3.247 5.432 0.463) 6.346 1.851 ( -4.969 0.468 -9.194) 10.462 2.030 ( 0.384 0.867 5.445) 5.527 2.137 ( 2.391 1.189 2.857) 3.910 2.169 ( 2.098 -6.686 2.021) 7.293 2.415 ( -0.571 -0.032 1.030) 1.178 2.460 ( -2.663 0.532 0.187) 2.722 2.527 ( -0.847 1.538 2.958) 3.440 2.627 ( -0.415 -3.644 1.574) 3.991 2.819 ( 1.589 2.461 2.965) 4.168 2.966 ( -1.334 1.363 -0.670) 2.022 3.075 ( 0.827 1.296 3.659) 3.969 3.262 ( 2.061 -1.339 -1.761) 3.024 3.290 ( 3.121 -3.840 -2.847) 5.709 3.521 ( 2.095 -3.735 1.852) 4.665 3.622 ( 1.378 1.302 -0.323) 1.923 3.648 ( 2.913 -4.984 4.839) 7.533 3.818 ( 10.615 -8.467 -1.446) 13.655 4.057 ( 7.614 1.334 2.491) 8.121 4.134 ( -1.909 -2.181 1.211) 3.141 4.193 ( -2.855 2.354 1.603) 4.033 4.384 ( -0.049 -1.899 -4.293) 4.694 4.492 ( 4.532 -2.723 0.715) 5.335 4.638 ( -3.223 4.921 1.032) 5.972 4.780 ( 0.375 -0.329 0.666) 0.833 5.111 ( -4.270 2.070 -1.624) 5.015 5.163 ( -1.480 -0.455 -0.500) 1.627 5.384 ( 0.720 -2.276 0.909) 2.554 5.514 ( 4.039 -5.265 -0.492) 6.654 5.774 ( -3.150 5.103 -0.152) 5.999 5.946 ( -0.397 2.831 -2.958) 4.114 5.981 ( 1.394 3.147 1.936) 3.949 6.034 ( -0.462 0.952 2.511) 2.724 6.095 ( -2.515 0.769 -3.070) 4.043 6.179 ( -1.315 -0.394 -3.125) 3.413 6.669 ( -7.202 2.336 2.582) 8.000 6.986 ( 2.964 -4.628 -0.116) 5.497 7.126 ( -6.882 4.872 -1.892) 8.642 7.216 ( -3.557 4.423 -1.751) 5.940 10.959 ( -1.477 1.783 -1.541) 2.781 11.026 ( -0.018 -0.306 -0.097) 0.322 11.242 ( -2.689 3.390 1.634) 4.625 11.297 ( -7.183 6.743 -0.949) 9.897 11.449 ( 2.366 4.353 -0.238) 4.960 11.607 ( 0.151 3.578 -3.088) 4.728 11.826 ( 3.394 -1.788 -7.137) 8.102 11.926 ( 0.827 7.801 0.643) 7.871 12.429 ( -4.079 -12.778 8.430) 15.842 12.941 ( 10.987 -14.864 1.088) 18.516 13.782 ( -0.036 -0.427 0.179) 0.464 13.802 ( 0.473 -0.667 0.191) 0.840 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -2.833 9.152 4.344) 10.519 0.995 ( -8.317 8.887 2.595) 12.446 1.200 ( -0.369 -1.204 -6.820) 6.935 1.311 ( 1.422 -1.503 -2.310) 3.101 1.363 ( -4.516 -1.225 -1.236) 4.840 1.461 ( 6.500 -4.630 -5.040) 9.439 1.602 ( 2.063 -2.932 -2.035) 4.122 1.632 ( -0.293 2.154 -6.043) 6.422 1.681 ( -0.446 0.055 0.775) 0.896 1.737 ( 8.464 -7.241 7.350) 13.345 1.826 ( -0.347 1.570 2.765) 3.199 2.062 ( 1.106 2.760 2.078) 3.628 2.203 ( 0.544 -5.857 -0.125) 5.884 2.283 ( 1.919 -0.084 10.856) 11.024 2.398 ( -1.318 4.599 -0.072) 4.785 2.512 ( 8.130 1.925 -0.674) 8.382 2.586 ( 2.257 2.546 1.176) 3.600 2.673 ( 1.233 -0.903 5.471) 5.680 2.849 ( -6.437 0.030 -6.115) 8.879 2.908 ( 2.340 4.180 4.486) 6.563 3.117 ( -0.752 2.929 4.151) 5.135 3.249 ( 0.116 -1.510 -0.106) 1.518 3.363 ( 7.024 2.749 -0.880) 7.594 3.586 ( -1.461 3.397 1.372) 3.944 3.619 ( 0.488 -1.148 4.454) 4.625 3.778 ( 2.381 -3.164 1.391) 4.197 3.963 ( 9.037 -5.000 0.769) 10.357 4.108 ( -4.894 1.174 2.751) 5.736 4.192 ( 1.618 3.789 0.360) 4.136 4.204 ( 2.211 0.591 2.712) 3.549 4.349 ( 2.369 -4.851 -2.003) 5.758 4.571 ( 5.105 -4.806 -2.952) 7.607 4.638 ( -2.562 2.622 6.855) 7.774 4.782 ( 0.914 -0.296 -0.259) 0.995 5.002 ( -4.193 2.966 -2.648) 5.778 5.125 ( -1.098 -2.173 -1.447) 2.832 5.426 ( 1.013 0.058 1.840) 2.101 5.569 ( 3.630 -6.870 0.028) 7.771 5.704 ( -2.708 4.158 -4.864) 6.948 5.930 ( -1.368 1.170 -3.525) 3.958 5.976 ( 2.181 -0.220 -1.962) 2.942 6.033 ( -2.787 -1.478 0.994) 3.308 6.058 ( 2.337 0.705 0.172) 2.447 6.130 ( 1.378 -3.790 -2.572) 4.783 6.605 ( -6.654 4.689 5.252) 9.687 6.941 ( -8.074 1.956 -3.713) 9.099 6.994 ( -2.836 -0.795 -2.612) 3.937 7.112 ( -4.440 2.628 -2.482) 5.725 10.926 ( -0.556 1.749 -0.902) 2.045 11.011 ( -1.331 -0.674 -0.210) 1.507 11.188 ( -3.569 3.298 -0.668) 4.905 11.226 ( -0.416 1.485 0.024) 1.542 11.466 ( -0.197 3.663 -0.772) 3.749 11.566 ( -0.712 2.824 -2.520) 3.851 11.727 ( -2.822 -3.239 -9.054) 10.022 11.882 ( -2.379 1.959 -2.693) 4.093 12.600 ( 4.579 -0.987 14.509) 15.246 13.132 ( 9.968 -9.719 0.170) 13.923 13.786 ( 0.034 -0.226 0.477) 0.529 13.810 ( 0.209 -0.469 0.138) 0.532 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -0.715 7.290 3.630) 8.175 0.951 ( -1.674 6.214 7.658) 10.003 1.119 ( 0.133 1.114 -7.123) 7.211 1.242 ( -3.786 -0.526 -2.717) 4.689 1.334 ( 1.311 -1.246 -1.139) 2.137 1.476 ( -0.067 -3.470 -5.300) 6.336 1.537 ( 0.816 -0.901 -5.111) 5.253 1.582 ( 1.410 -3.271 -3.547) 5.027 1.739 ( 2.087 3.675 3.611) 5.560 1.869 ( -0.652 -3.987 2.659) 4.837 1.914 ( 3.105 -7.489 5.059) 9.556 2.141 ( 1.784 -3.695 -1.574) 4.394 2.230 ( 1.574 2.817 8.413) 9.011 2.372 ( 0.901 3.911 0.462) 4.040 2.439 ( 0.789 -1.360 6.138) 6.336 2.599 ( -1.366 3.772 -0.293) 4.022 2.641 ( 2.336 3.288 -2.228) 4.608 2.671 ( 0.995 2.989 -2.979) 4.336 2.793 ( 3.022 -0.261 7.492) 8.083 3.001 ( 1.782 5.388 2.720) 6.294 3.152 ( -0.300 1.972 3.191) 3.763 3.271 ( 0.682 -1.045 0.834) 1.501 3.489 ( 7.063 8.280 0.716) 10.907 3.543 ( -1.334 4.585 -0.956) 4.870 3.654 ( -2.857 1.300 3.346) 4.587 3.808 ( 0.762 -2.374 -0.067) 2.494 4.015 ( -6.730 4.788 3.250) 8.876 4.120 ( -0.479 5.213 -0.955) 5.322 4.152 ( 0.425 3.765 2.040) 4.303 4.320 ( 6.860 -4.883 3.954) 9.302 4.407 ( 4.034 -2.535 0.157) 4.768 4.598 ( 2.853 -2.424 -4.289) 5.693 4.609 ( -7.803 1.708 6.159) 10.087 4.836 ( -0.219 -2.282 0.589) 2.367 4.938 ( 1.030 -3.563 -1.585) 4.034 5.101 ( 0.857 -5.419 -2.647) 6.091 5.415 ( -2.155 1.712 -2.097) 3.460 5.547 ( -2.855 1.566 -6.723) 7.470 5.696 ( 7.482 -5.105 1.378) 9.162 5.867 ( 0.768 -1.490 -2.751) 3.221 5.992 ( -1.770 -1.753 -0.202) 2.499 6.037 ( 0.687 -1.889 0.531) 2.079 6.098 ( 2.679 -2.408 -0.560) 3.646 6.157 ( 4.135 -4.072 -1.626) 6.026 6.540 ( -7.323 4.084 4.362) 9.452 6.775 ( -6.080 2.776 -2.023) 6.984 6.876 ( -4.365 2.744 -2.791) 5.863 7.029 ( -2.277 0.361 -2.751) 3.590 10.921 ( 0.682 1.598 -0.019) 1.737 10.990 ( -0.781 0.036 0.079) 0.786 11.159 ( -0.472 1.422 0.765) 1.683 11.224 ( 1.269 -0.358 -1.948) 2.352 11.433 ( -0.831 1.193 -2.245) 2.675 11.514 ( -2.929 1.761 -1.621) 3.783 11.599 ( -1.929 -1.550 -2.596) 3.586 11.782 ( -3.676 -1.824 -5.238) 6.655 12.855 ( 3.813 4.140 14.263) 15.334 13.264 ( 6.763 -4.348 -3.386) 8.724 13.792 ( -0.096 -0.093 0.610) 0.624 13.812 ( -0.016 -0.289 -0.051) 0.294 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 2.336 1.341 -1.075) 2.900 0.999 ( 3.181 -5.343 -5.606) 8.372 1.117 ( 0.186 1.882 -0.900) 2.094 1.154 ( -1.502 -1.905 -1.856) 3.054 1.326 ( -2.369 3.752 0.866) 4.521 1.396 ( 3.203 2.807 -5.034) 6.594 1.441 ( -2.435 -3.298 1.724) 4.447 1.498 ( 2.053 -3.329 -3.953) 5.561 1.792 ( -0.810 -0.810 0.691) 1.338 1.806 ( -0.157 -1.251 -0.153) 1.270 1.895 ( -1.454 -0.882 5.276) 5.543 1.957 ( -2.955 -5.396 -0.141) 6.154 2.430 ( 2.197 1.173 6.660) 7.110 2.462 ( 2.684 -1.358 4.747) 5.620 2.513 ( -1.347 3.862 -2.682) 4.891 2.579 ( -0.250 -1.870 -5.421) 5.740 2.798 ( 1.778 5.014 3.573) 6.408 2.840 ( -0.781 2.640 1.009) 2.932 3.048 ( 1.852 13.079 9.688) 16.381 3.133 ( -1.857 4.031 0.613) 4.480 3.173 ( -0.118 -1.081 0.940) 1.437 3.256 ( 0.265 -1.397 -1.470) 2.046 3.533 ( -0.757 -1.810 0.432) 2.009 3.621 ( -2.222 -6.339 -4.173) 7.908 3.756 ( -1.830 6.781 2.163) 7.350 3.793 ( 1.593 3.494 -0.638) 3.892 4.141 ( 2.351 6.601 3.655) 7.903 4.203 ( 0.398 3.831 -1.376) 4.090 4.326 ( 2.560 -2.219 3.705) 5.021 4.343 ( 0.457 -0.183 4.181) 4.210 4.431 ( 0.337 -0.189 -0.040) 0.388 4.494 ( -2.580 -4.231 0.144) 4.957 4.618 ( -1.694 1.158 5.186) 5.577 4.720 ( -2.567 -8.760 4.489) 10.172 4.813 ( 1.554 0.897 -7.757) 7.962 4.873 ( 0.695 -5.461 -8.498) 10.126 5.449 ( -0.041 3.578 1.626) 3.930 5.499 ( 0.526 -0.603 -1.796) 1.966 5.760 ( 0.655 0.151 -0.413) 0.789 5.802 ( -1.016 -3.091 -3.125) 4.512 5.955 ( -0.053 0.638 0.131) 0.654 5.964 ( -0.475 0.324 -0.647) 0.866 6.078 ( 0.376 -1.998 0.908) 2.227 6.098 ( 0.256 -3.337 -1.044) 3.506 6.584 ( -0.026 2.973 0.780) 3.074 6.642 ( 0.091 -2.145 -4.204) 4.721 6.949 ( 0.307 2.831 1.891) 3.419 6.980 ( -0.399 -0.040 -0.880) 0.967 10.982 ( 1.267 1.415 0.197) 1.910 10.994 ( 0.355 0.406 -0.680) 0.868 11.188 ( -0.794 1.099 0.799) 1.574 11.201 ( 0.131 -0.273 -0.583) 0.657 11.422 ( 0.137 0.507 -0.651) 0.836 11.448 ( -1.163 -1.334 -2.405) 2.986 11.571 ( 0.205 -0.190 -0.193) 0.340 11.598 ( 0.210 -2.522 -3.126) 4.022 13.147 ( -0.337 4.651 6.227) 7.779 13.227 ( 0.095 -2.749 -1.008) 2.930 13.799 ( 0.017 0.122 0.336) 0.358 13.804 ( 0.025 -0.274 -0.064) 0.283 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.385 -1.268 -3.649) 4.104 0.959 ( 0.835 -4.700 -2.986) 5.631 1.148 ( 3.378 1.909 -0.708) 3.944 1.193 ( 4.677 -2.084 1.829) 5.437 1.312 ( -1.390 4.533 2.430) 5.328 1.399 ( -0.154 -2.242 -1.726) 2.834 1.435 ( 1.749 1.886 1.437) 2.946 1.498 ( 1.701 -2.252 -2.079) 3.505 1.737 ( -4.732 1.257 0.843) 4.968 1.796 ( -2.660 -4.002 0.416) 4.824 1.917 ( -1.613 -1.436 1.244) 2.492 1.941 ( -1.645 -3.740 4.712) 6.237 2.422 ( -3.946 2.439 -3.628) 5.889 2.461 ( -3.764 -1.526 -5.319) 6.692 2.511 ( 0.010 0.457 2.175) 2.223 2.531 ( 0.661 -1.010 2.089) 2.413 2.761 ( -3.865 9.964 -1.573) 10.803 2.857 ( -0.432 0.342 -0.914) 1.067 3.046 ( -4.438 7.110 -3.285) 9.002 3.156 ( -4.218 5.573 1.156) 7.084 3.170 ( 0.683 -0.861 1.582) 1.926 3.241 ( 0.731 0.091 -0.045) 0.738 3.577 ( 1.524 -0.854 1.185) 2.111 3.632 ( 3.443 -6.699 2.832) 8.047 3.680 ( -6.572 6.812 0.977) 9.515 3.729 ( -6.054 0.655 -0.781) 6.139 4.162 ( -1.974 0.834 -2.174) 3.053 4.188 ( -1.962 0.166 -3.073) 3.650 4.261 ( -5.137 2.429 -0.024) 5.683 4.373 ( -1.852 -3.627 0.272) 4.082 4.403 ( -2.106 1.120 -1.667) 2.910 4.437 ( -1.786 -0.010 -0.507) 1.857 4.714 ( 0.628 0.142 5.602) 5.639 4.777 ( 2.494 -4.261 2.593) 5.577 4.835 ( 6.494 -1.465 -0.512) 6.677 4.860 ( 7.577 -3.115 -3.244) 8.811 5.487 ( 2.262 3.261 -1.514) 4.248 5.517 ( 3.734 1.433 0.134) 4.002 5.683 ( -6.801 -1.213 -2.043) 7.204 5.722 ( -4.945 -3.719 4.052) 7.396 5.978 ( 0.664 2.081 0.937) 2.377 6.019 ( 3.481 0.340 0.262) 3.507 6.049 ( -3.967 -3.152 0.355) 5.079 6.058 ( -0.734 -2.125 -1.488) 2.696 6.653 ( 6.033 1.353 -0.099) 6.184 6.682 ( 7.018 -1.348 0.131) 7.148 6.982 ( 2.376 2.601 -0.590) 3.573 7.003 ( 3.195 0.646 0.695) 3.333 10.983 ( 0.319 1.771 -1.687) 2.466 11.003 ( 1.357 0.008 -0.788) 1.570 11.182 ( -0.486 1.065 0.857) 1.451 11.196 ( -0.139 -0.139 0.279) 0.341 11.429 ( 1.347 1.704 0.616) 2.257 11.479 ( 3.546 -2.249 1.571) 4.483 11.578 ( 2.479 1.880 -0.521) 3.154 11.645 ( 6.019 -3.990 -0.198) 7.224 13.106 ( -9.578 1.955 -0.141) 9.777 13.144 ( -7.651 -1.420 -0.022) 7.782 13.801 ( -0.068 0.035 -0.067) 0.102 13.804 ( 0.003 -0.200 -0.014) 0.201 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 3.137 1.079 -1.091) 3.492 0.999 ( 3.132 -4.131 3.503) 6.257 1.194 ( 3.510 4.200 -1.268) 5.618 1.272 ( 2.576 -3.361 1.003) 4.351 1.322 ( 0.198 2.267 0.886) 2.443 1.369 ( -0.886 -2.270 -1.651) 2.944 1.504 ( 1.439 1.256 3.368) 3.872 1.515 ( 0.802 0.426 1.090) 1.419 1.661 ( -4.132 -0.347 -1.381) 4.371 1.715 ( -4.858 -5.172 -3.182) 7.776 1.904 ( -2.401 1.837 2.103) 3.682 1.958 ( -4.053 -3.237 5.724) 7.725 2.308 ( -3.283 1.692 -3.969) 5.422 2.351 ( -1.440 -2.769 -3.486) 4.679 2.508 ( -1.607 3.215 0.092) 3.596 2.549 ( 0.822 -0.521 -1.640) 1.907 2.706 ( -0.931 8.518 0.124) 8.570 2.788 ( -3.313 0.010 -3.677) 4.949 2.914 ( -5.834 5.944 -4.178) 9.317 3.036 ( -6.937 -0.661 -2.351) 7.355 3.192 ( -0.868 -0.282 1.959) 2.161 3.234 ( -0.970 -1.939 -0.242) 2.182 3.456 ( -10.541 1.049 -3.306) 11.097 3.520 ( -12.171 -5.869 1.061) 13.554 3.714 ( 4.301 3.207 1.560) 5.587 3.766 ( 2.997 -0.867 -1.936) 3.672 4.011 ( -4.865 -1.028 -8.561) 9.900 4.086 ( -2.378 -5.721 -1.534) 6.383 4.253 ( 0.471 3.732 -0.796) 3.845 4.301 ( -2.096 -0.601 -4.492) 4.994 4.347 ( -2.090 3.668 -2.041) 4.689 4.421 ( -2.458 -2.549 3.128) 4.725 4.775 ( 1.816 1.571 1.229) 2.697 4.813 ( 4.001 -1.154 -4.587) 6.196 4.965 ( 4.702 0.168 3.616) 5.934 4.992 ( 5.675 -2.414 3.440) 7.062 5.457 ( -2.283 1.244 -1.939) 3.243 5.504 ( -3.557 -3.361 -4.010) 6.327 5.686 ( 4.147 5.997 8.412) 11.132 5.780 ( 2.308 -2.841 8.073) 8.864 5.941 ( -3.934 0.887 0.584) 4.075 5.987 ( -2.830 -3.179 1.109) 4.398 6.061 ( 2.319 0.736 -0.663) 2.522 6.080 ( 1.982 -0.581 -0.809) 2.218 6.763 ( 6.964 2.017 -1.944) 7.506 6.815 ( 5.673 -2.595 1.419) 6.398 7.046 ( 5.193 3.680 0.780) 6.412 7.084 ( 4.542 0.269 2.092) 5.008 10.974 ( 1.073 2.281 -1.455) 2.911 11.011 ( 1.427 -0.992 -1.566) 2.339 11.209 ( 2.255 1.520 2.046) 3.404 11.228 ( 2.198 -0.197 2.351) 3.224 11.486 ( 1.638 4.114 3.702) 5.771 11.549 ( 2.122 -1.142 1.853) 3.040 11.645 ( 5.388 3.859 -0.988) 6.701 11.771 ( 7.593 -6.126 0.910) 9.798 12.858 ( -14.085 2.537 -5.510) 15.335 12.958 ( -13.668 -5.976 -0.347) 14.922 13.795 ( -0.310 0.080 -0.333) 0.462 13.801 ( -0.306 -0.411 -0.069) 0.517 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 3.899 5.179 0.911) 6.546 1.102 ( 0.381 -2.225 5.740) 6.168 1.275 ( 2.627 4.254 0.549) 5.030 1.307 ( 3.466 0.629 -1.111) 3.693 1.327 ( 2.237 -1.138 -2.579) 3.599 1.379 ( 2.470 -4.821 2.678) 6.042 1.510 ( -5.011 1.185 -1.198) 5.287 1.544 ( -1.431 0.575 0.645) 1.671 1.571 ( -1.403 -1.442 -0.401) 2.051 1.585 ( -0.650 -4.680 -1.260) 4.890 1.873 ( -5.539 3.475 3.422) 7.380 1.939 ( -4.744 -3.123 4.175) 7.049 2.242 ( 0.400 3.079 -3.148) 4.421 2.318 ( 2.260 -3.997 -5.060) 6.833 2.490 ( 0.066 4.419 -0.924) 4.515 2.523 ( 1.365 1.327 -4.169) 4.583 2.646 ( -5.709 4.589 -1.155) 7.415 2.707 ( -3.978 5.499 -2.969) 7.408 2.769 ( -6.368 -6.546 0.475) 9.145 2.900 ( -5.244 -6.449 -3.063) 8.859 3.157 ( -8.254 0.096 3.760) 9.071 3.213 ( -1.030 -1.561 -0.466) 1.928 3.288 ( -1.348 0.208 -3.997) 4.224 3.352 ( -6.412 -7.336 -0.019) 9.743 3.674 ( -4.792 1.510 -6.409) 8.144 3.732 ( -2.093 -3.150 -5.880) 6.991 3.908 ( 4.337 7.652 -6.237) 10.782 4.077 ( 3.428 -7.237 -3.111) 8.591 4.174 ( -5.392 2.398 -3.095) 6.664 4.219 ( -3.822 -1.376 -1.177) 4.229 4.329 ( 0.363 4.698 1.117) 4.843 4.418 ( -1.340 -3.282 1.624) 3.899 4.784 ( 1.159 2.898 -2.737) 4.151 4.819 ( 2.285 -0.921 -4.108) 4.790 5.079 ( 3.689 0.960 3.088) 4.906 5.108 ( 3.204 -1.620 2.886) 4.607 5.385 ( -2.869 0.616 -1.307) 3.213 5.429 ( -2.763 -3.048 -0.487) 4.143 5.857 ( 3.687 4.568 3.977) 7.090 5.899 ( -1.193 0.452 4.431) 4.611 5.962 ( 3.774 0.876 9.498) 10.258 6.006 ( 1.153 -3.131 5.255) 6.225 6.078 ( 0.559 1.522 -0.630) 1.740 6.094 ( 1.907 -0.029 -1.398) 2.365 6.815 ( 3.587 2.337 -4.099) 5.927 6.880 ( 1.434 -3.631 -0.967) 4.022 7.170 ( 5.658 3.898 3.319) 7.630 7.206 ( 4.720 0.655 3.877) 6.143 10.986 ( 1.647 1.997 -0.567) 2.650 11.019 ( 1.299 -1.010 -0.983) 1.917 11.313 ( 4.580 1.701 3.873) 6.234 11.321 ( 4.940 0.932 3.397) 6.067 11.551 ( -0.113 5.237 4.114) 6.661 11.608 ( 2.256 0.183 2.261) 3.199 11.710 ( 3.687 7.035 -1.507) 8.085 11.916 ( 7.382 -6.851 1.819) 10.234 12.521 ( -14.600 1.477 -8.401) 16.910 12.691 ( -14.625 -11.668 -2.730) 18.907 13.784 ( -0.367 0.058 -0.358) 0.517 13.792 ( -0.455 -0.598 -0.246) 0.790 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.983 3.490 -1.926) 4.978 1.114 ( -0.921 -1.487 -1.587) 2.362 1.219 ( -2.817 1.070 -3.612) 4.704 1.281 ( -5.296 -4.564 -4.176) 8.143 1.318 ( -0.081 1.014 -3.880) 4.011 1.363 ( 0.746 -2.792 -4.470) 5.323 1.575 ( 4.145 4.014 6.567) 8.742 1.581 ( 7.698 3.426 4.783) 9.689 1.608 ( 1.373 1.954 5.962) 6.423 1.731 ( 2.286 -3.223 14.345) 14.879 1.798 ( -5.379 3.176 0.662) 6.282 1.899 ( -5.034 -4.552 3.353) 7.570 2.207 ( 1.555 2.056 -6.951) 7.413 2.252 ( 2.157 -0.518 -13.061) 13.248 2.488 ( 1.825 3.071 -0.359) 3.591 2.535 ( 2.223 0.878 -1.468) 2.805 2.572 ( -3.874 3.287 -1.353) 5.257 2.599 ( 2.944 -4.750 -2.296) 6.042 2.668 ( -8.451 -7.150 1.955) 11.241 2.742 ( -8.127 -8.578 -3.068) 12.209 3.093 ( -3.640 2.882 4.075) 6.178 3.196 ( -0.336 -2.647 0.710) 2.761 3.241 ( -0.054 -0.332 -4.407) 4.419 3.310 ( 1.024 -5.370 -3.014) 6.243 3.523 ( -2.748 2.021 -4.269) 5.464 3.596 ( -2.378 -4.260 -6.366) 8.020 3.946 ( 3.743 8.300 -2.310) 9.393 4.017 ( -4.458 4.208 -2.629) 6.670 4.138 ( 3.863 -4.824 -2.423) 6.638 4.144 ( -3.615 -3.292 0.186) 4.893 4.357 ( 0.726 2.062 1.672) 2.752 4.410 ( -0.499 -2.659 -0.305) 2.723 4.770 ( 0.238 2.620 -1.548) 3.052 4.797 ( 0.858 -0.324 -3.428) 3.548 5.154 ( 1.136 0.655 2.437) 2.768 5.174 ( 1.350 -0.994 1.887) 2.524 5.341 ( -0.289 -0.188 -1.519) 1.558 5.374 ( -2.020 -2.892 -1.664) 3.901 5.912 ( 0.676 2.961 2.875) 4.182 5.952 ( 0.162 -0.477 3.687) 3.721 6.039 ( -2.004 3.996 0.516) 4.500 6.085 ( 0.831 -0.381 -0.719) 1.163 6.143 ( 2.965 1.836 6.779) 7.623 6.166 ( 2.636 -0.209 6.402) 6.926 6.811 ( 1.775 0.881 -3.171) 3.740 6.852 ( -1.509 -2.880 -2.629) 4.182 7.287 ( 2.587 3.201 3.335) 5.297 7.307 ( 1.886 1.440 2.710) 3.602 11.011 ( 1.361 1.291 0.096) 1.878 11.028 ( 0.681 -0.317 -0.495) 0.899 11.417 ( 3.759 2.899 1.287) 4.918 11.443 ( 1.654 0.085 2.078) 2.658 11.585 ( -2.240 7.821 6.848) 10.634 11.685 ( -0.001 -2.058 6.790) 7.095 11.764 ( 8.098 13.610 -3.365) 16.190 12.048 ( 0.034 3.526 2.873) 4.549 12.212 ( -2.249 -12.318 -10.508) 16.346 12.412 ( -12.437 -16.207 -4.676) 20.957 13.777 ( -0.054 -0.116 -0.235) 0.268 13.781 ( -0.326 -0.519 -0.310) 0.687 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 1.046 2.668 -4.084) 4.989 1.097 ( 4.841 -2.043 -3.653) 6.400 1.174 ( -1.210 -0.099 3.125) 3.352 1.208 ( 1.064 -1.836 -0.522) 2.185 1.284 ( -1.052 -0.140 0.955) 1.427 1.335 ( 1.804 -3.956 -3.147) 5.367 1.631 ( -5.132 2.335 -1.228) 5.770 1.640 ( -3.452 1.884 0.556) 3.972 1.749 ( 0.668 5.347 1.027) 5.485 1.777 ( 5.690 3.333 2.289) 6.980 1.891 ( -2.828 -0.759 12.729) 13.062 1.934 ( -0.620 -3.735 11.050) 11.681 2.112 ( 2.798 1.261 -14.101) 14.431 2.125 ( 2.323 -0.265 -12.731) 12.944 2.474 ( -5.094 1.380 0.719) 5.326 2.536 ( 1.374 4.182 -0.910) 4.495 2.552 ( -0.194 -1.477 0.424) 1.549 2.566 ( -2.207 -4.006 0.086) 4.575 2.652 ( 6.719 -5.299 1.069) 8.623 2.744 ( 9.508 -9.101 -1.409) 13.237 3.101 ( -2.577 4.181 5.276) 7.208 3.192 ( 2.560 1.906 -4.081) 5.181 3.234 ( 0.784 -7.173 2.674) 7.695 3.265 ( 0.786 -3.465 -3.796) 5.200 3.516 ( 2.512 -0.982 0.268) 2.711 3.538 ( 3.036 -3.071 -3.216) 5.384 3.878 ( -7.694 8.620 2.553) 11.833 4.015 ( 0.713 0.272 0.012) 0.763 4.099 ( 0.973 0.020 -1.165) 1.518 4.188 ( 4.757 -3.553 -2.715) 6.528 4.384 ( 0.001 -0.245 0.169) 0.298 4.402 ( 1.342 -1.410 -0.599) 2.037 4.750 ( -1.719 2.378 0.240) 2.944 4.778 ( 0.499 -0.056 -1.547) 1.626 5.178 ( -1.248 0.944 1.461) 2.141 5.192 ( -0.764 -0.070 -0.272) 0.814 5.335 ( 0.210 -1.469 -1.337) 1.997 5.351 ( 2.755 -2.883 -0.090) 3.989 5.955 ( 0.006 1.662 2.370) 2.894 5.964 ( -1.103 2.117 -1.205) 2.674 6.017 ( -2.838 2.520 4.347) 5.771 6.069 ( -0.498 -0.761 -1.641) 1.876 6.208 ( -3.073 2.679 1.662) 4.402 6.232 ( -0.600 0.684 1.581) 1.824 6.783 ( -2.575 0.891 -0.826) 2.847 6.831 ( 2.676 -3.285 -0.750) 4.303 7.314 ( -2.905 2.971 1.124) 4.304 7.332 ( -1.284 1.468 0.491) 2.011 11.024 ( -0.288 0.660 -0.750) 1.040 11.028 ( 0.368 0.334 -0.368) 0.619 11.403 ( -5.378 4.341 0.958) 6.977 11.458 ( -1.124 -0.689 -0.357) 1.366 11.628 ( -3.994 9.619 7.930) 13.091 11.735 ( 0.707 1.211 -0.434) 1.468 11.833 ( -6.215 7.194 -2.588) 9.853 12.012 ( 13.727 12.084 -0.062) 18.288 12.152 ( -10.008 -18.452 -4.383) 21.444 12.345 ( 13.894 -18.108 0.224) 22.825 13.776 ( 0.023 -0.189 -0.159) 0.249 13.778 ( 0.369 -0.403 -0.027) 0.547 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.113 8.915 -2.424) 9.239 1.181 ( 2.377 -4.555 1.331) 5.308 1.196 ( 0.903 3.502 3.495) 5.029 1.278 ( 4.579 -3.861 -1.678) 6.220 1.305 ( 0.556 0.845 2.132) 2.360 1.377 ( 3.789 -5.899 3.013) 7.631 1.497 ( -6.789 0.679 -3.786) 7.803 1.512 ( -3.878 -0.957 -1.626) 4.312 1.699 ( 0.503 4.664 -9.182) 10.311 1.806 ( -2.007 -4.057 -9.470) 10.496 1.911 ( -0.562 3.790 0.304) 3.843 2.000 ( 3.223 -3.997 0.180) 5.138 2.101 ( -0.121 0.815 8.208) 8.250 2.132 ( 2.166 -1.332 5.542) 6.097 2.452 ( 1.490 3.264 0.172) 3.592 2.495 ( -2.262 0.308 0.403) 2.318 2.622 ( 6.116 6.150 0.233) 8.676 2.639 ( 5.999 7.063 2.360) 9.563 2.794 ( 5.087 -5.578 3.598) 8.363 2.855 ( 4.410 -10.228 -2.980) 11.530 3.137 ( -0.744 4.628 5.478) 7.210 3.208 ( 1.976 -0.762 -0.956) 2.323 3.273 ( 6.183 -0.866 -2.363) 6.675 3.337 ( 7.481 -8.427 1.675) 11.392 3.576 ( 5.604 0.336 0.786) 5.669 3.641 ( 7.261 -6.175 2.033) 9.746 3.796 ( -6.080 9.541 3.897) 11.966 3.991 ( -4.160 -7.696 3.793) 9.535 4.152 ( 4.994 4.361 -1.095) 6.720 4.233 ( 3.424 -1.522 -1.563) 4.060 4.365 ( -0.052 1.982 -2.032) 2.839 4.438 ( 2.551 -3.293 -0.231) 4.172 4.726 ( -2.198 3.286 1.790) 4.339 4.774 ( -0.319 -0.990 0.404) 1.116 5.137 ( -3.041 0.623 -1.951) 3.666 5.149 ( -3.001 -0.635 -0.874) 3.189 5.360 ( 2.689 0.892 0.748) 2.930 5.417 ( 3.805 -3.876 0.640) 5.469 5.903 ( -2.735 5.717 -1.358) 6.482 5.970 ( -0.190 -0.500 -1.041) 1.171 6.022 ( -2.034 0.763 3.296) 3.948 6.048 ( -1.467 -0.664 1.493) 2.196 6.111 ( -5.708 1.846 -3.345) 6.869 6.160 ( -4.856 -1.753 -4.788) 7.041 6.750 ( -1.972 5.108 1.509) 5.680 6.872 ( 1.492 -5.821 0.144) 6.011 7.225 ( -6.907 3.799 -1.289) 7.987 7.267 ( -5.366 0.157 -1.427) 5.555 10.997 ( -1.073 1.495 -1.326) 2.268 11.019 ( -0.618 -0.561 -0.726) 1.106 11.321 ( -5.333 3.522 1.332) 6.528 11.371 ( -7.397 -0.476 -0.265) 7.417 11.629 ( -3.112 12.840 1.648) 13.314 11.677 ( -0.460 3.536 -4.655) 5.864 11.757 ( 0.306 -3.837 -5.176) 6.451 11.930 ( -10.355 -11.890 -0.149) 15.767 12.344 ( 16.748 8.870 5.771) 19.812 12.620 ( 15.388 -14.700 2.689) 21.450 13.779 ( 0.330 0.148 0.107) 0.377 13.787 ( 0.556 -0.601 0.134) 0.830 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.324 9.090 -4.382) 10.096 1.143 ( -2.473 -3.204 -7.609) 8.618 1.179 ( -4.636 5.527 -0.173) 7.215 1.295 ( 1.681 1.365 1.512) 2.641 1.313 ( -5.428 -4.652 -2.060) 7.440 1.357 ( 4.489 -3.867 -1.923) 6.229 1.549 ( 1.556 -1.382 2.434) 3.202 1.584 ( 4.953 -4.878 5.065) 8.601 1.629 ( 3.248 0.050 -3.736) 4.951 1.659 ( 2.449 -1.845 -7.228) 7.852 1.917 ( -1.960 5.817 1.802) 6.397 2.048 ( 1.924 -5.403 -1.014) 5.824 2.167 ( -1.795 2.841 7.760) 8.457 2.245 ( 0.116 -3.353 8.045) 8.716 2.491 ( 1.259 2.695 0.721) 3.061 2.519 ( 5.783 -0.611 -0.560) 5.842 2.712 ( 2.495 3.787 1.790) 4.875 2.736 ( 0.409 6.114 -0.389) 6.140 2.851 ( 3.229 2.986 0.212) 4.403 2.954 ( 6.747 -1.262 4.412) 8.160 3.183 ( -0.230 2.685 2.214) 3.488 3.221 ( 0.390 -1.224 0.628) 1.429 3.418 ( 11.648 2.254 -0.162) 11.865 3.519 ( 9.034 -6.795 2.419) 11.560 3.678 ( 0.247 2.033 2.515) 3.243 3.724 ( 0.723 -0.957 1.391) 1.837 3.849 ( 6.800 0.353 5.140) 8.531 4.006 ( 0.290 -9.070 4.716) 10.227 4.215 ( 1.611 2.060 1.781) 3.164 4.257 ( 0.430 -1.459 -0.676) 1.665 4.356 ( 2.566 6.264 -1.742) 6.990 4.477 ( 3.301 -4.367 -1.690) 5.729 4.715 ( -3.325 3.213 3.253) 5.653 4.769 ( -1.299 -1.507 0.777) 2.136 5.042 ( -4.119 0.847 -3.170) 5.267 5.070 ( -3.979 -2.301 -2.119) 5.061 5.428 ( 3.262 1.150 1.459) 3.754 5.474 ( 2.116 -2.817 -0.220) 3.530 5.829 ( -3.148 6.545 -3.717) 8.159 5.942 ( -2.652 -3.291 -4.994) 6.542 5.969 ( -0.105 2.425 -3.070) 3.913 6.019 ( -3.716 -0.158 0.575) 3.764 6.041 ( -0.743 -2.026 1.148) 2.444 6.048 ( -0.720 -2.857 -0.345) 2.967 6.726 ( -3.486 6.317 1.108) 7.299 6.860 ( -2.014 -5.941 -2.167) 6.637 7.072 ( -8.066 4.375 -1.268) 9.263 7.133 ( -6.959 -1.009 -1.894) 7.282 10.967 ( -0.599 1.819 -0.758) 2.060 10.997 ( -0.923 -0.895 -0.311) 1.323 11.250 ( -4.675 1.821 -0.735) 5.071 11.258 ( -3.143 0.934 -0.356) 3.298 11.568 ( -3.550 5.505 -1.401) 6.699 11.621 ( -0.980 3.001 -4.739) 5.694 11.660 ( -3.585 -2.089 -4.055) 5.802 11.794 ( -6.042 -8.519 -0.546) 10.458 12.697 ( 14.144 8.858 7.867) 18.450 12.914 ( 14.080 -10.554 3.177) 17.880 13.787 ( 0.295 0.302 0.314) 0.526 13.798 ( 0.381 -0.600 0.171) 0.731 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.150 4.237 -5.278) 6.866 1.018 ( -0.216 -2.317 -5.487) 5.960 1.146 ( -0.405 3.014 -0.615) 3.103 1.219 ( -3.506 -2.825 -1.473) 4.737 1.331 ( 0.424 2.331 1.120) 2.620 1.400 ( 2.558 -3.097 -1.472) 4.278 1.491 ( -2.886 0.380 -3.050) 4.216 1.549 ( -0.275 -2.599 -6.489) 6.995 1.734 ( 5.126 -0.932 1.061) 5.317 1.771 ( 4.195 -4.347 2.691) 6.613 1.891 ( -3.435 4.587 2.634) 6.307 2.022 ( -2.422 -6.785 -1.931) 7.459 2.280 ( 1.899 2.210 10.528) 10.924 2.343 ( 1.914 -3.290 6.779) 7.775 2.527 ( 1.300 4.383 0.077) 4.572 2.597 ( 4.620 -2.371 -3.489) 6.256 2.722 ( 1.764 5.150 0.334) 5.453 2.788 ( 1.851 -1.025 4.862) 5.302 2.937 ( 1.054 14.731 5.410) 15.728 3.095 ( 3.051 1.362 3.385) 4.757 3.181 ( -0.899 1.199 0.186) 1.510 3.241 ( 1.403 -3.140 -0.097) 3.441 3.597 ( -0.969 0.557 0.062) 1.119 3.630 ( 3.754 2.293 5.044) 6.693 3.711 ( 5.537 3.912 -1.065) 6.863 3.733 ( 1.136 -1.532 -1.527) 2.443 4.071 ( 1.944 -1.383 5.470) 5.967 4.085 ( 9.255 -4.312 4.626) 11.209 4.233 ( -0.602 3.296 1.590) 3.709 4.279 ( 0.818 -1.296 3.439) 3.765 4.403 ( 3.979 3.963 -1.366) 5.779 4.505 ( 2.058 -4.724 -1.768) 5.448 4.658 ( -6.881 2.817 3.068) 8.043 4.750 ( -2.768 -4.845 1.239) 5.716 4.922 ( -4.350 0.761 -4.594) 6.372 4.976 ( -1.951 -4.667 -5.237) 7.281 5.459 ( -0.908 2.013 -0.522) 2.269 5.504 ( 0.316 -2.557 1.719) 3.097 5.743 ( 2.272 5.313 -5.847) 8.220 5.831 ( 0.342 -2.439 -5.073) 5.639 5.979 ( -2.471 0.684 0.905) 2.719 6.016 ( -0.130 0.325 0.343) 0.490 6.025 ( 0.528 -3.354 1.451) 3.692 6.068 ( 3.254 -3.863 -0.928) 5.135 6.645 ( -5.435 5.338 -0.798) 7.660 6.750 ( -5.079 -3.956 -4.380) 7.787 6.960 ( -4.194 4.156 1.006) 5.990 7.023 ( -3.765 -1.499 -0.572) 4.093 10.963 ( 0.549 1.869 0.046) 1.949 10.989 ( 0.012 -0.485 0.359) 0.603 11.193 ( -1.119 1.503 -0.252) 1.891 11.216 ( -0.766 -0.614 -1.242) 1.583 11.479 ( -3.624 2.933 -2.514) 5.297 11.524 ( -3.761 -0.867 -2.606) 4.657 11.589 ( -1.428 1.577 -1.458) 2.579 11.682 ( -3.649 -6.101 -4.015) 8.165 12.990 ( 8.367 7.558 7.778) 13.698 13.146 ( 8.645 -6.592 1.696) 11.003 13.794 ( 0.045 0.284 0.392) 0.486 13.803 ( 0.069 -0.468 0.103) 0.484 =================== 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 3/18900 10.0 28.500 33.265 32.350 0.000 3.758 0.000 3/18900 20.0 5.970 6.400 6.284 0.000 0.624 0.000 3/18900 30.0 2.859 2.984 3.004 0.000 0.250 0.000 3/18900 40.0 1.842 1.902 1.946 0.000 0.144 0.000 3/18900 50.0 1.363 1.397 1.442 0.000 0.098 0.000 3/18900 60.0 1.088 1.109 1.151 0.000 0.073 0.000 3/18900 70.0 0.911 0.924 0.962 0.000 0.058 0.000 3/18900 80.0 0.787 0.795 0.829 0.000 0.048 0.000 3/18900 90.0 0.695 0.701 0.731 0.000 0.041 0.000 3/18900 100.0 0.625 0.629 0.655 0.000 0.035 0.000 3/18900 110.0 0.568 0.572 0.595 0.000 0.031 0.000 3/18900 120.0 0.523 0.526 0.546 0.000 0.027 0.000 3/18900 130.0 0.484 0.488 0.506 0.000 0.025 0.000 3/18900 140.0 0.452 0.455 0.471 0.000 0.022 0.000 3/18900 150.0 0.424 0.428 0.441 0.000 0.020 0.000 3/18900 160.0 0.399 0.403 0.416 0.000 0.019 0.000 3/18900 170.0 0.378 0.382 0.393 0.000 0.017 0.000 3/18900 180.0 0.359 0.363 0.372 0.000 0.016 0.000 3/18900 190.0 0.341 0.346 0.354 0.000 0.015 0.000 3/18900 200.0 0.326 0.330 0.338 0.000 0.014 0.000 3/18900 210.0 0.311 0.316 0.323 0.000 0.013 0.000 3/18900 220.0 0.298 0.303 0.309 0.000 0.012 0.000 3/18900 230.0 0.286 0.292 0.297 0.000 0.012 0.000 3/18900 240.0 0.275 0.281 0.285 0.000 0.011 0.000 3/18900 250.0 0.265 0.270 0.275 0.000 0.010 0.000 3/18900 260.0 0.256 0.261 0.265 0.000 0.010 0.000 3/18900 270.0 0.247 0.252 0.256 0.000 0.009 0.000 3/18900 280.0 0.239 0.244 0.247 0.000 0.009 0.000 3/18900 290.0 0.231 0.236 0.239 0.000 0.009 0.000 3/18900 300.0 0.224 0.229 0.231 0.000 0.008 0.000 3/18900 310.0 0.217 0.222 0.224 0.000 0.008 0.000 3/18900 320.0 0.211 0.216 0.218 0.000 0.008 0.000 3/18900 330.0 0.204 0.210 0.211 0.000 0.007 0.000 3/18900 340.0 0.199 0.204 0.206 0.000 0.007 0.000 3/18900 350.0 0.193 0.198 0.200 0.000 0.007 0.000 3/18900 360.0 0.188 0.193 0.195 0.000 0.007 0.000 3/18900 370.0 0.183 0.188 0.190 0.000 0.006 0.000 3/18900 380.0 0.179 0.184 0.185 0.000 0.006 0.000 3/18900 390.0 0.174 0.179 0.180 0.000 0.006 0.000 3/18900 400.0 0.170 0.175 0.176 0.000 0.006 0.000 3/18900 410.0 0.166 0.171 0.172 0.000 0.006 0.000 3/18900 420.0 0.162 0.167 0.168 0.000 0.006 0.000 3/18900 430.0 0.159 0.163 0.164 0.000 0.005 0.000 3/18900 440.0 0.155 0.160 0.160 0.000 0.005 0.000 3/18900 450.0 0.152 0.156 0.157 0.000 0.005 0.000 3/18900 460.0 0.149 0.153 0.154 0.000 0.005 0.000 3/18900 470.0 0.146 0.150 0.151 0.000 0.005 0.000 3/18900 480.0 0.143 0.147 0.147 0.000 0.005 0.000 3/18900 490.0 0.140 0.144 0.145 0.000 0.005 0.000 3/18900 500.0 0.137 0.141 0.142 0.000 0.005 0.000 3/18900 510.0 0.135 0.139 0.139 0.000 0.004 0.000 3/18900 520.0 0.132 0.136 0.136 0.000 0.004 0.000 3/18900 530.0 0.130 0.134 0.134 0.000 0.004 0.000 3/18900 540.0 0.127 0.131 0.131 0.000 0.004 0.000 3/18900 550.0 0.125 0.129 0.129 0.000 0.004 0.000 3/18900 560.0 0.123 0.127 0.127 0.000 0.004 0.000 3/18900 570.0 0.121 0.125 0.125 0.000 0.004 0.000 3/18900 580.0 0.119 0.122 0.123 0.000 0.004 0.000 3/18900 590.0 0.117 0.120 0.121 0.000 0.004 0.000 3/18900 600.0 0.115 0.119 0.119 0.000 0.004 0.000 3/18900 610.0 0.113 0.117 0.117 0.000 0.004 0.000 3/18900 620.0 0.111 0.115 0.115 0.000 0.004 0.000 3/18900 630.0 0.109 0.113 0.113 0.000 0.004 0.000 3/18900 640.0 0.108 0.111 0.111 0.000 0.003 0.000 3/18900 650.0 0.106 0.110 0.110 0.000 0.003 0.000 3/18900 660.0 0.105 0.108 0.108 0.000 0.003 0.000 3/18900 670.0 0.103 0.106 0.106 0.000 0.003 0.000 3/18900 680.0 0.102 0.105 0.105 0.000 0.003 0.000 3/18900 690.0 0.100 0.103 0.103 0.000 0.003 0.000 3/18900 700.0 0.099 0.102 0.102 0.000 0.003 0.000 3/18900 710.0 0.097 0.101 0.100 0.000 0.003 0.000 3/18900 720.0 0.096 0.099 0.099 0.000 0.003 0.000 3/18900 730.0 0.095 0.098 0.098 0.000 0.003 0.000 3/18900 740.0 0.093 0.097 0.096 0.000 0.003 0.000 3/18900 750.0 0.092 0.095 0.095 0.000 0.003 0.000 3/18900 760.0 0.091 0.094 0.094 0.000 0.003 0.000 3/18900 770.0 0.090 0.093 0.093 0.000 0.003 0.000 3/18900 780.0 0.089 0.092 0.092 0.000 0.003 0.000 3/18900 790.0 0.088 0.091 0.090 0.000 0.003 0.000 3/18900 800.0 0.087 0.089 0.089 0.000 0.003 0.000 3/18900 810.0 0.085 0.088 0.088 0.000 0.003 0.000 3/18900 820.0 0.084 0.087 0.087 0.000 0.003 0.000 3/18900 830.0 0.083 0.086 0.086 0.000 0.003 0.000 3/18900 840.0 0.082 0.085 0.085 0.000 0.003 0.000 3/18900 850.0 0.081 0.084 0.084 0.000 0.003 0.000 3/18900 860.0 0.081 0.083 0.083 0.000 0.003 0.000 3/18900 870.0 0.080 0.082 0.082 0.000 0.002 0.000 3/18900 880.0 0.079 0.081 0.081 0.000 0.002 0.000 3/18900 890.0 0.078 0.080 0.080 0.000 0.002 0.000 3/18900 900.0 0.077 0.080 0.079 0.000 0.002 0.000 3/18900 910.0 0.076 0.079 0.079 0.000 0.002 0.000 3/18900 920.0 0.075 0.078 0.078 0.000 0.002 0.000 3/18900 930.0 0.075 0.077 0.077 0.000 0.002 0.000 3/18900 940.0 0.074 0.076 0.076 0.000 0.002 0.000 3/18900 950.0 0.073 0.075 0.075 0.000 0.002 0.000 3/18900 960.0 0.072 0.075 0.075 0.000 0.002 0.000 3/18900 970.0 0.072 0.074 0.074 0.000 0.002 0.000 3/18900 980.0 0.071 0.073 0.073 0.000 0.002 0.000 3/18900 990.0 0.070 0.072 0.072 0.000 0.002 0.000 3/18900 1000.0 0.069 0.072 0.072 0.000 0.002 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:15:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|