----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:33:48]------------------------- Compiled with OpenMP support (max 48 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 6.482701030134504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.217064550000000 0.000000000000000 c -6.144032122160118 0.000000000000000 9.036666761811100 Atomic positions (fractional): *1 P 0.63652236862885 0.38996748794791 0.06716823407999 30.974 2 P 0.36347763137116 0.88996748794791 0.43283176592001 30.974 3 P 0.36347763137116 0.61003251205209 0.93283176592001 30.974 4 P 0.63652236862885 0.11003251205209 0.56716823407999 30.974 *5 S 0.41345758877540 0.30960423468681 0.56473038126848 32.065 6 S 0.58654241122460 0.80960423468681 0.93526961873152 32.065 7 S 0.58654241122460 0.69039576531319 0.43526961873152 32.065 8 S 0.41345758877540 0.19039576531319 0.06473038126848 32.065 *9 S 0.88683516108798 0.99307861543501 0.76530597230952 32.065 10 S 0.11316483891202 0.49307861543501 0.73469402769048 32.065 11 S 0.11316483891202 0.00692138456499 0.23469402769048 32.065 12 S 0.88683516108798 0.50692138456499 0.26530597230952 32.065 *13 S 0.77934222284665 0.19629534761534 0.45256567211272 32.065 14 S 0.22065777715335 0.69629534761534 0.04743432788728 32.065 15 S 0.22065777715335 0.80370465238466 0.54743432788728 32.065 16 S 0.77934222284665 0.30370465238466 0.95256567211272 32.065 *17 Ca 0.28672283094622 0.38146514848658 0.24760852742783 40.078 18 Ca 0.71327716905378 0.88146514848658 0.25239147257217 40.078 19 Ca 0.71327716905378 0.61853485151342 0.75239147257217 40.078 20 Ca 0.28672283094622 0.11853485151342 0.74760852742783 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.482701030134504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.217064550000000 0.000000000000000 c -6.144032122160118 0.000000000000000 9.036666761811100 Atomic positions (fractional): *1 P 0.63652236862885 0.38996748794791 0.06716823407999 30.974 > 1 2 P 0.36347763137116 0.88996748794791 0.43283176592001 30.974 > 2 3 P 0.36347763137116 0.61003251205209 0.93283176592001 30.974 > 3 4 P 0.63652236862885 0.11003251205209 0.56716823407999 30.974 > 4 *5 S 0.41345758877540 0.30960423468681 0.56473038126848 32.065 > 5 6 S 0.58654241122460 0.80960423468681 0.93526961873152 32.065 > 6 7 S 0.58654241122460 0.69039576531319 0.43526961873152 32.065 > 7 8 S 0.41345758877540 0.19039576531319 0.06473038126848 32.065 > 8 *9 S 0.88683516108798 0.99307861543501 0.76530597230952 32.065 > 9 10 S 0.11316483891202 0.49307861543501 0.73469402769048 32.065 > 10 11 S 0.11316483891202 0.00692138456499 0.23469402769048 32.065 > 11 12 S 0.88683516108798 0.50692138456499 0.26530597230952 32.065 > 12 *13 S 0.77934222284665 0.19629534761534 0.45256567211272 32.065 > 13 14 S 0.22065777715335 0.69629534761534 0.04743432788728 32.065 > 14 15 S 0.22065777715335 0.80370465238466 0.54743432788728 32.065 > 15 16 S 0.77934222284665 0.30370465238466 0.95256567211272 32.065 > 16 *17 Ca 0.28672283094622 0.38146514848658 0.24760852742783 40.078 > 17 18 Ca 0.71327716905378 0.88146514848658 0.25239147257217 40.078 > 18 19 Ca 0.71327716905378 0.61853485151342 0.75239147257217 40.078 > 19 20 Ca 0.28672283094622 0.11853485151342 0.74760852742783 40.078 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.965402060269009 0.000000000000000 0.000000000000000 b 0.000000000000000 14.434129100000000 0.000000000000000 c -6.144032122160118 0.000000000000000 9.036666761811100 Atomic positions (fractional): *1 P 0.31826118431442 0.19498374397395 0.06716823407999 30.974 > 1 2 P 0.81826118431442 0.19498374397395 0.06716823407999 30.974 > 1 3 P 0.31826118431442 0.69498374397395 0.06716823407999 30.974 > 1 4 P 0.81826118431442 0.69498374397395 0.06716823407999 30.974 > 1 5 P 0.18173881568558 0.44498374397395 0.43283176592001 30.974 > 2 6 P 0.68173881568558 0.44498374397395 0.43283176592001 30.974 > 2 7 P 0.18173881568558 0.94498374397395 0.43283176592001 30.974 > 2 8 P 0.68173881568558 0.94498374397395 0.43283176592001 30.974 > 2 9 P 0.18173881568558 0.30501625602605 0.93283176592001 30.974 > 3 10 P 0.68173881568558 0.30501625602605 0.93283176592001 30.974 > 3 11 P 0.18173881568558 0.80501625602605 0.93283176592001 30.974 > 3 12 P 0.68173881568558 0.80501625602605 0.93283176592001 30.974 > 3 13 P 0.31826118431442 0.05501625602605 0.56716823407999 30.974 > 4 14 P 0.81826118431442 0.05501625602605 0.56716823407999 30.974 > 4 15 P 0.31826118431442 0.55501625602605 0.56716823407999 30.974 > 4 16 P 0.81826118431442 0.55501625602605 0.56716823407999 30.974 > 4 *17 S 0.20672879438770 0.15480211734340 0.56473038126848 32.065 > 5 18 S 0.70672879438770 0.15480211734340 0.56473038126848 32.065 > 5 19 S 0.20672879438770 0.65480211734340 0.56473038126848 32.065 > 5 20 S 0.70672879438770 0.65480211734340 0.56473038126848 32.065 > 5 21 S 0.29327120561230 0.40480211734340 0.93526961873152 32.065 > 6 22 S 0.79327120561230 0.40480211734340 0.93526961873152 32.065 > 6 23 S 0.29327120561230 0.90480211734340 0.93526961873152 32.065 > 6 24 S 0.79327120561230 0.90480211734340 0.93526961873152 32.065 > 6 25 S 0.29327120561230 0.34519788265660 0.43526961873152 32.065 > 7 26 S 0.79327120561230 0.34519788265660 0.43526961873152 32.065 > 7 27 S 0.29327120561230 0.84519788265660 0.43526961873152 32.065 > 7 28 S 0.79327120561230 0.84519788265660 0.43526961873152 32.065 > 7 29 S 0.20672879438770 0.09519788265660 0.06473038126848 32.065 > 8 30 S 0.70672879438770 0.09519788265660 0.06473038126848 32.065 > 8 31 S 0.20672879438770 0.59519788265660 0.06473038126848 32.065 > 8 32 S 0.70672879438770 0.59519788265660 0.06473038126848 32.065 > 8 *33 S 0.44341758054399 0.49653930771750 0.76530597230952 32.065 > 9 34 S 0.94341758054399 0.49653930771750 0.76530597230952 32.065 > 9 35 S 0.44341758054399 0.99653930771750 0.76530597230952 32.065 > 9 36 S 0.94341758054399 0.99653930771750 0.76530597230952 32.065 > 9 37 S 0.05658241945601 0.24653930771750 0.73469402769048 32.065 > 10 38 S 0.55658241945601 0.24653930771750 0.73469402769048 32.065 > 10 39 S 0.05658241945601 0.74653930771750 0.73469402769048 32.065 > 10 40 S 0.55658241945601 0.74653930771750 0.73469402769048 32.065 > 10 41 S 0.05658241945601 0.00346069228250 0.23469402769048 32.065 > 11 42 S 0.55658241945601 0.00346069228250 0.23469402769048 32.065 > 11 43 S 0.05658241945601 0.50346069228250 0.23469402769048 32.065 > 11 44 S 0.55658241945601 0.50346069228250 0.23469402769048 32.065 > 11 45 S 0.44341758054399 0.25346069228250 0.26530597230952 32.065 > 12 46 S 0.94341758054399 0.25346069228250 0.26530597230952 32.065 > 12 47 S 0.44341758054399 0.75346069228250 0.26530597230952 32.065 > 12 48 S 0.94341758054399 0.75346069228250 0.26530597230952 32.065 > 12 *49 S 0.38967111142333 0.09814767380767 0.45256567211272 32.065 > 13 50 S 0.88967111142333 0.09814767380767 0.45256567211272 32.065 > 13 51 S 0.38967111142333 0.59814767380767 0.45256567211272 32.065 > 13 52 S 0.88967111142333 0.59814767380767 0.45256567211272 32.065 > 13 53 S 0.11032888857667 0.34814767380767 0.04743432788728 32.065 > 14 54 S 0.61032888857667 0.34814767380767 0.04743432788728 32.065 > 14 55 S 0.11032888857667 0.84814767380767 0.04743432788728 32.065 > 14 56 S 0.61032888857667 0.84814767380767 0.04743432788728 32.065 > 14 57 S 0.11032888857667 0.40185232619233 0.54743432788728 32.065 > 15 58 S 0.61032888857667 0.40185232619233 0.54743432788728 32.065 > 15 59 S 0.11032888857667 0.90185232619233 0.54743432788728 32.065 > 15 60 S 0.61032888857667 0.90185232619233 0.54743432788728 32.065 > 15 61 S 0.38967111142333 0.15185232619233 0.95256567211272 32.065 > 16 62 S 0.88967111142333 0.15185232619233 0.95256567211272 32.065 > 16 63 S 0.38967111142333 0.65185232619233 0.95256567211272 32.065 > 16 64 S 0.88967111142333 0.65185232619233 0.95256567211272 32.065 > 16 *65 Ca 0.14336141547311 0.19073257424329 0.24760852742783 40.078 > 17 66 Ca 0.64336141547311 0.19073257424329 0.24760852742783 40.078 > 17 67 Ca 0.14336141547311 0.69073257424329 0.24760852742783 40.078 > 17 68 Ca 0.64336141547311 0.69073257424329 0.24760852742783 40.078 > 17 69 Ca 0.35663858452689 0.44073257424329 0.25239147257217 40.078 > 18 70 Ca 0.85663858452689 0.44073257424329 0.25239147257217 40.078 > 18 71 Ca 0.35663858452689 0.94073257424329 0.25239147257217 40.078 > 18 72 Ca 0.85663858452689 0.94073257424329 0.25239147257217 40.078 > 18 73 Ca 0.35663858452689 0.30926742575671 0.75239147257217 40.078 > 19 74 Ca 0.85663858452689 0.30926742575671 0.75239147257217 40.078 > 19 75 Ca 0.35663858452689 0.80926742575671 0.75239147257217 40.078 > 19 76 Ca 0.85663858452689 0.80926742575671 0.75239147257217 40.078 > 19 77 Ca 0.14336141547311 0.05926742575671 0.74760852742783 40.078 > 20 78 Ca 0.64336141547311 0.05926742575671 0.74760852742783 40.078 > 20 79 Ca 0.14336141547311 0.55926742575671 0.74760852742783 40.078 > 20 80 Ca 0.64336141547311 0.55926742575671 0.74760852742783 40.078 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7832904 0.0000000 -0.0174617 0.0000000 5.7500509 0.0000000 -0.0174613 0.0000000 5.9381551 -------------------------- Born effective charges -------------------------- 1 P 2.3000147 0.3514464 -0.1838952 0.3956783 1.9726168 0.4817562 -0.1514633 0.2939835 2.0398941 2 P 2.3000147 -0.3514464 -0.1838952 -0.3956783 1.9726168 -0.4817562 -0.1514633 -0.2939835 2.0398941 3 P 2.3000147 0.3514464 -0.1838952 0.3956783 1.9726168 0.4817562 -0.1514633 0.2939835 2.0398941 4 P 2.3000147 -0.3514464 -0.1838952 -0.3956783 1.9726168 -0.4817562 -0.1514633 -0.2939835 2.0398941 5 S -1.5162815 0.4667792 0.2861732 0.4230917 -1.9328672 -0.1789946 0.2129869 -0.1742235 -1.2539351 6 S -1.5162815 -0.4667792 0.2861732 -0.4230917 -1.9328672 0.1789946 0.2129869 0.1742235 -1.2539351 7 S -1.5162815 0.4667792 0.2861732 0.4230917 -1.9328672 -0.1789946 0.2129869 -0.1742235 -1.2539351 8 S -1.5162815 -0.4667792 0.2861732 -0.4230917 -1.9328672 0.1789946 0.2129869 0.1742235 -1.2539351 9 S -1.5144853 -0.0756247 -0.2212854 -0.1727526 -1.3489593 0.2543049 -0.3014899 0.4273295 -1.7403486 10 S -1.5144853 0.0756247 -0.2212854 0.1727526 -1.3489593 -0.2543049 -0.3014899 -0.4273295 -1.7403486 11 S -1.5144853 -0.0756247 -0.2212854 -0.1727526 -1.3489593 0.2543049 -0.3014899 0.4273295 -1.7403486 12 S -1.5144853 0.0756247 -0.2212854 0.1727526 -1.3489593 -0.2543049 -0.3014899 -0.4273295 -1.7403486 13 S -1.8420335 0.0163086 0.2165911 -0.0956564 -1.1728639 0.0464377 0.1353076 -0.1784976 -1.5579952 14 S -1.8420335 -0.0163086 0.2165911 0.0956564 -1.1728639 -0.0464377 0.1353076 0.1784976 -1.5579952 15 S -1.8420335 0.0163086 0.2165911 -0.0956564 -1.1728639 0.0464377 0.1353076 -0.1784976 -1.5579952 16 S -1.8420335 -0.0163086 0.2165911 0.0956564 -1.1728639 -0.0464377 0.1353076 0.1784976 -1.5579952 17 Ca 2.5727856 -0.0212297 -0.0975836 0.2163799 2.4820736 -0.1678839 0.1046588 -0.5079750 2.5123848 18 Ca 2.5727856 0.0212297 -0.0975836 -0.2163799 2.4820736 0.1678839 0.1046588 0.5079750 2.5123848 19 Ca 2.5727856 -0.0212297 -0.0975836 0.2163799 2.4820736 -0.1678839 0.1046588 -0.5079750 2.5123848 20 Ca 2.5727856 0.0212297 -0.0975836 -0.2163799 2.4820736 0.1678839 0.1046588 0.5079750 2.5123848 ---------------------------------------------------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 391), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.298 Solver_block: 200 / 640 - Time: 0.272 Solver_block: 300 / 640 - Time: 0.266 Solver_block: 400 / 640 - Time: 0.265 Solver_block: 500 / 640 - Time: 0.266 Solver_block: 600 / 640 - Time: 0.266 Solver_block: 640 / 640 - Time: 0.134 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.808 --------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 391), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:34:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:34:06]------------------------- Compiled with OpenMP support (max 48 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 6.482701030134504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.217064550000000 0.000000000000000 c -6.144032122160118 0.000000000000000 9.036666761811100 Atomic positions (fractional): 1 P 0.63652236862885 0.38996748794791 0.06716823407999 30.974 2 P 0.36347763137116 0.88996748794791 0.43283176592001 30.974 3 P 0.36347763137116 0.61003251205209 0.93283176592001 30.974 4 P 0.63652236862885 0.11003251205209 0.56716823407999 30.974 5 S 0.41345758877540 0.30960423468681 0.56473038126848 32.065 6 S 0.58654241122460 0.80960423468681 0.93526961873152 32.065 7 S 0.58654241122460 0.69039576531319 0.43526961873152 32.065 8 S 0.41345758877540 0.19039576531319 0.06473038126848 32.065 9 S 0.88683516108798 0.99307861543501 0.76530597230952 32.065 10 S 0.11316483891202 0.49307861543501 0.73469402769048 32.065 11 S 0.11316483891202 0.00692138456499 0.23469402769048 32.065 12 S 0.88683516108798 0.50692138456499 0.26530597230952 32.065 13 S 0.77934222284665 0.19629534761534 0.45256567211272 32.065 14 S 0.22065777715335 0.69629534761534 0.04743432788728 32.065 15 S 0.22065777715335 0.80370465238466 0.54743432788728 32.065 16 S 0.77934222284665 0.30370465238466 0.95256567211272 32.065 17 Ca 0.28672283094622 0.38146514848658 0.24760852742783 40.078 18 Ca 0.71327716905378 0.88146514848658 0.25239147257217 40.078 19 Ca 0.71327716905378 0.61853485151342 0.75239147257217 40.078 20 Ca 0.28672283094622 0.11853485151342 0.74760852742783 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.965402060269009 0.000000000000000 0.000000000000000 b 0.000000000000000 14.434129100000000 0.000000000000000 c -6.144032122160118 0.000000000000000 9.036666761811100 Atomic positions (fractional): 1 P 0.31826118431442 0.19498374397395 0.06716823407999 30.974 > 1 2 P 0.81826118431442 0.19498374397395 0.06716823407999 30.974 > 1 3 P 0.31826118431442 0.69498374397395 0.06716823407999 30.974 > 1 4 P 0.81826118431442 0.69498374397395 0.06716823407999 30.974 > 1 5 P 0.18173881568558 0.44498374397395 0.43283176592001 30.974 > 5 6 P 0.68173881568558 0.44498374397395 0.43283176592001 30.974 > 5 7 P 0.18173881568558 0.94498374397395 0.43283176592001 30.974 > 5 8 P 0.68173881568558 0.94498374397395 0.43283176592001 30.974 > 5 9 P 0.18173881568558 0.30501625602605 0.93283176592001 30.974 > 9 10 P 0.68173881568558 0.30501625602605 0.93283176592001 30.974 > 9 11 P 0.18173881568558 0.80501625602605 0.93283176592001 30.974 > 9 12 P 0.68173881568558 0.80501625602605 0.93283176592001 30.974 > 9 13 P 0.31826118431442 0.05501625602605 0.56716823407999 30.974 > 13 14 P 0.81826118431442 0.05501625602605 0.56716823407999 30.974 > 13 15 P 0.31826118431442 0.55501625602605 0.56716823407999 30.974 > 13 16 P 0.81826118431442 0.55501625602605 0.56716823407999 30.974 > 13 17 S 0.20672879438770 0.15480211734340 0.56473038126848 32.065 > 17 18 S 0.70672879438770 0.15480211734340 0.56473038126848 32.065 > 17 19 S 0.20672879438770 0.65480211734340 0.56473038126848 32.065 > 17 20 S 0.70672879438770 0.65480211734340 0.56473038126848 32.065 > 17 21 S 0.29327120561230 0.40480211734340 0.93526961873152 32.065 > 21 22 S 0.79327120561230 0.40480211734340 0.93526961873152 32.065 > 21 23 S 0.29327120561230 0.90480211734340 0.93526961873152 32.065 > 21 24 S 0.79327120561230 0.90480211734340 0.93526961873152 32.065 > 21 25 S 0.29327120561230 0.34519788265660 0.43526961873152 32.065 > 25 26 S 0.79327120561230 0.34519788265660 0.43526961873152 32.065 > 25 27 S 0.29327120561230 0.84519788265660 0.43526961873152 32.065 > 25 28 S 0.79327120561230 0.84519788265660 0.43526961873152 32.065 > 25 29 S 0.20672879438770 0.09519788265660 0.06473038126848 32.065 > 29 30 S 0.70672879438770 0.09519788265660 0.06473038126848 32.065 > 29 31 S 0.20672879438770 0.59519788265660 0.06473038126848 32.065 > 29 32 S 0.70672879438770 0.59519788265660 0.06473038126848 32.065 > 29 33 S 0.44341758054399 0.49653930771750 0.76530597230952 32.065 > 33 34 S 0.94341758054399 0.49653930771750 0.76530597230952 32.065 > 33 35 S 0.44341758054399 0.99653930771750 0.76530597230952 32.065 > 33 36 S 0.94341758054399 0.99653930771750 0.76530597230952 32.065 > 33 37 S 0.05658241945601 0.24653930771750 0.73469402769048 32.065 > 37 38 S 0.55658241945601 0.24653930771750 0.73469402769048 32.065 > 37 39 S 0.05658241945601 0.74653930771750 0.73469402769048 32.065 > 37 40 S 0.55658241945601 0.74653930771750 0.73469402769048 32.065 > 37 41 S 0.05658241945601 0.00346069228250 0.23469402769048 32.065 > 41 42 S 0.55658241945601 0.00346069228250 0.23469402769048 32.065 > 41 43 S 0.05658241945601 0.50346069228250 0.23469402769048 32.065 > 41 44 S 0.55658241945601 0.50346069228250 0.23469402769048 32.065 > 41 45 S 0.44341758054399 0.25346069228250 0.26530597230952 32.065 > 45 46 S 0.94341758054399 0.25346069228250 0.26530597230952 32.065 > 45 47 S 0.44341758054399 0.75346069228250 0.26530597230952 32.065 > 45 48 S 0.94341758054399 0.75346069228250 0.26530597230952 32.065 > 45 49 S 0.38967111142333 0.09814767380767 0.45256567211272 32.065 > 49 50 S 0.88967111142333 0.09814767380767 0.45256567211272 32.065 > 49 51 S 0.38967111142333 0.59814767380767 0.45256567211272 32.065 > 49 52 S 0.88967111142333 0.59814767380767 0.45256567211272 32.065 > 49 53 S 0.11032888857667 0.34814767380767 0.04743432788728 32.065 > 53 54 S 0.61032888857667 0.34814767380767 0.04743432788728 32.065 > 53 55 S 0.11032888857667 0.84814767380767 0.04743432788728 32.065 > 53 56 S 0.61032888857667 0.84814767380767 0.04743432788728 32.065 > 53 57 S 0.11032888857667 0.40185232619233 0.54743432788728 32.065 > 57 58 S 0.61032888857667 0.40185232619233 0.54743432788728 32.065 > 57 59 S 0.11032888857667 0.90185232619233 0.54743432788728 32.065 > 57 60 S 0.61032888857667 0.90185232619233 0.54743432788728 32.065 > 57 61 S 0.38967111142333 0.15185232619233 0.95256567211272 32.065 > 61 62 S 0.88967111142333 0.15185232619233 0.95256567211272 32.065 > 61 63 S 0.38967111142333 0.65185232619233 0.95256567211272 32.065 > 61 64 S 0.88967111142333 0.65185232619233 0.95256567211272 32.065 > 61 65 Ca 0.14336141547311 0.19073257424329 0.24760852742783 40.078 > 65 66 Ca 0.64336141547311 0.19073257424329 0.24760852742783 40.078 > 65 67 Ca 0.14336141547311 0.69073257424329 0.24760852742783 40.078 > 65 68 Ca 0.64336141547311 0.69073257424329 0.24760852742783 40.078 > 65 69 Ca 0.35663858452689 0.44073257424329 0.25239147257217 40.078 > 69 70 Ca 0.85663858452689 0.44073257424329 0.25239147257217 40.078 > 69 71 Ca 0.35663858452689 0.94073257424329 0.25239147257217 40.078 > 69 72 Ca 0.85663858452689 0.94073257424329 0.25239147257217 40.078 > 69 73 Ca 0.35663858452689 0.30926742575671 0.75239147257217 40.078 > 73 74 Ca 0.85663858452689 0.30926742575671 0.75239147257217 40.078 > 73 75 Ca 0.35663858452689 0.80926742575671 0.75239147257217 40.078 > 73 76 Ca 0.85663858452689 0.80926742575671 0.75239147257217 40.078 > 73 77 Ca 0.14336141547311 0.05926742575671 0.74760852742783 40.078 > 77 78 Ca 0.64336141547311 0.05926742575671 0.74760852742783 40.078 > 77 79 Ca 0.14336141547311 0.55926742575671 0.74760852742783 40.078 > 77 80 Ca 0.64336141547311 0.55926742575671 0.74760852742783 40.078 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7832904 0.0000000 -0.0174617 0.0000000 5.7500509 0.0000000 -0.0174613 0.0000000 5.9381551 -------------------------- Born effective charges -------------------------- 1 P 2.3000147 0.3514464 -0.1838952 0.3956783 1.9726168 0.4817562 -0.1514633 0.2939835 2.0398941 2 P 2.3000147 -0.3514464 -0.1838952 -0.3956783 1.9726168 -0.4817562 -0.1514633 -0.2939835 2.0398941 3 P 2.3000147 0.3514464 -0.1838952 0.3956783 1.9726168 0.4817562 -0.1514633 0.2939835 2.0398941 4 P 2.3000147 -0.3514464 -0.1838952 -0.3956783 1.9726168 -0.4817562 -0.1514633 -0.2939835 2.0398941 5 S -1.5162815 0.4667792 0.2861732 0.4230917 -1.9328672 -0.1789946 0.2129869 -0.1742235 -1.2539351 6 S -1.5162815 -0.4667792 0.2861732 -0.4230917 -1.9328672 0.1789946 0.2129869 0.1742235 -1.2539351 7 S -1.5162815 0.4667792 0.2861732 0.4230917 -1.9328672 -0.1789946 0.2129869 -0.1742235 -1.2539351 8 S -1.5162815 -0.4667792 0.2861732 -0.4230917 -1.9328672 0.1789946 0.2129869 0.1742235 -1.2539351 9 S -1.5144853 -0.0756247 -0.2212854 -0.1727526 -1.3489593 0.2543049 -0.3014899 0.4273295 -1.7403486 10 S -1.5144853 0.0756247 -0.2212854 0.1727526 -1.3489593 -0.2543049 -0.3014899 -0.4273295 -1.7403486 11 S -1.5144853 -0.0756247 -0.2212854 -0.1727526 -1.3489593 0.2543049 -0.3014899 0.4273295 -1.7403486 12 S -1.5144853 0.0756247 -0.2212854 0.1727526 -1.3489593 -0.2543049 -0.3014899 -0.4273295 -1.7403486 13 S -1.8420335 0.0163086 0.2165911 -0.0956564 -1.1728639 0.0464377 0.1353076 -0.1784976 -1.5579952 14 S -1.8420335 -0.0163086 0.2165911 0.0956564 -1.1728639 -0.0464377 0.1353076 0.1784976 -1.5579952 15 S -1.8420335 0.0163086 0.2165911 -0.0956564 -1.1728639 0.0464377 0.1353076 -0.1784976 -1.5579952 16 S -1.8420335 -0.0163086 0.2165911 0.0956564 -1.1728639 -0.0464377 0.1353076 0.1784976 -1.5579952 17 Ca 2.5727856 -0.0212297 -0.0975836 0.2163799 2.4820736 -0.1678839 0.1046588 -0.5079750 2.5123848 18 Ca 2.5727856 0.0212297 -0.0975836 -0.2163799 2.4820736 0.1678839 0.1046588 0.5079750 2.5123848 19 Ca 2.5727856 -0.0212297 -0.0975836 0.2163799 2.4820736 -0.1678839 0.1046588 -0.5079750 2.5123848 20 Ca 2.5727856 0.0212297 -0.0975836 -0.2163799 2.4820736 0.1678839 0.1046588 0.5079750 2.5123848 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:34:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:34:17]------------------------- Compiled with OpenMP support (max 48 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 6.482701030134504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.217064550000000 0.000000000000000 c -6.144032122160118 0.000000000000000 9.036666761811100 Atomic positions (fractional): 1 P 0.63652236862885 0.38996748794791 0.06716823407999 30.974 2 P 0.36347763137116 0.88996748794791 0.43283176592001 30.974 3 P 0.36347763137116 0.61003251205209 0.93283176592001 30.974 4 P 0.63652236862885 0.11003251205209 0.56716823407999 30.974 5 S 0.41345758877540 0.30960423468681 0.56473038126848 32.065 6 S 0.58654241122460 0.80960423468681 0.93526961873152 32.065 7 S 0.58654241122460 0.69039576531319 0.43526961873152 32.065 8 S 0.41345758877540 0.19039576531319 0.06473038126848 32.065 9 S 0.88683516108798 0.99307861543501 0.76530597230952 32.065 10 S 0.11316483891202 0.49307861543501 0.73469402769048 32.065 11 S 0.11316483891202 0.00692138456499 0.23469402769048 32.065 12 S 0.88683516108798 0.50692138456499 0.26530597230952 32.065 13 S 0.77934222284665 0.19629534761534 0.45256567211272 32.065 14 S 0.22065777715335 0.69629534761534 0.04743432788728 32.065 15 S 0.22065777715335 0.80370465238466 0.54743432788728 32.065 16 S 0.77934222284665 0.30370465238466 0.95256567211272 32.065 17 Ca 0.28672283094622 0.38146514848658 0.24760852742783 40.078 18 Ca 0.71327716905378 0.88146514848658 0.25239147257217 40.078 19 Ca 0.71327716905378 0.61853485151342 0.75239147257217 40.078 20 Ca 0.28672283094622 0.11853485151342 0.74760852742783 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.965402060269009 0.000000000000000 0.000000000000000 b 0.000000000000000 14.434129100000000 0.000000000000000 c -6.144032122160118 0.000000000000000 9.036666761811100 Atomic positions (fractional): 1 P 0.31826118431442 0.19498374397395 0.06716823407999 30.974 > 1 2 P 0.81826118431442 0.19498374397395 0.06716823407999 30.974 > 1 3 P 0.31826118431442 0.69498374397395 0.06716823407999 30.974 > 1 4 P 0.81826118431442 0.69498374397395 0.06716823407999 30.974 > 1 5 P 0.18173881568558 0.44498374397395 0.43283176592001 30.974 > 5 6 P 0.68173881568558 0.44498374397395 0.43283176592001 30.974 > 5 7 P 0.18173881568558 0.94498374397395 0.43283176592001 30.974 > 5 8 P 0.68173881568558 0.94498374397395 0.43283176592001 30.974 > 5 9 P 0.18173881568558 0.30501625602605 0.93283176592001 30.974 > 9 10 P 0.68173881568558 0.30501625602605 0.93283176592001 30.974 > 9 11 P 0.18173881568558 0.80501625602605 0.93283176592001 30.974 > 9 12 P 0.68173881568558 0.80501625602605 0.93283176592001 30.974 > 9 13 P 0.31826118431442 0.05501625602605 0.56716823407999 30.974 > 13 14 P 0.81826118431442 0.05501625602605 0.56716823407999 30.974 > 13 15 P 0.31826118431442 0.55501625602605 0.56716823407999 30.974 > 13 16 P 0.81826118431442 0.55501625602605 0.56716823407999 30.974 > 13 17 S 0.20672879438770 0.15480211734340 0.56473038126848 32.065 > 17 18 S 0.70672879438770 0.15480211734340 0.56473038126848 32.065 > 17 19 S 0.20672879438770 0.65480211734340 0.56473038126848 32.065 > 17 20 S 0.70672879438770 0.65480211734340 0.56473038126848 32.065 > 17 21 S 0.29327120561230 0.40480211734340 0.93526961873152 32.065 > 21 22 S 0.79327120561230 0.40480211734340 0.93526961873152 32.065 > 21 23 S 0.29327120561230 0.90480211734340 0.93526961873152 32.065 > 21 24 S 0.79327120561230 0.90480211734340 0.93526961873152 32.065 > 21 25 S 0.29327120561230 0.34519788265660 0.43526961873152 32.065 > 25 26 S 0.79327120561230 0.34519788265660 0.43526961873152 32.065 > 25 27 S 0.29327120561230 0.84519788265660 0.43526961873152 32.065 > 25 28 S 0.79327120561230 0.84519788265660 0.43526961873152 32.065 > 25 29 S 0.20672879438770 0.09519788265660 0.06473038126848 32.065 > 29 30 S 0.70672879438770 0.09519788265660 0.06473038126848 32.065 > 29 31 S 0.20672879438770 0.59519788265660 0.06473038126848 32.065 > 29 32 S 0.70672879438770 0.59519788265660 0.06473038126848 32.065 > 29 33 S 0.44341758054399 0.49653930771750 0.76530597230952 32.065 > 33 34 S 0.94341758054399 0.49653930771750 0.76530597230952 32.065 > 33 35 S 0.44341758054399 0.99653930771750 0.76530597230952 32.065 > 33 36 S 0.94341758054399 0.99653930771750 0.76530597230952 32.065 > 33 37 S 0.05658241945601 0.24653930771750 0.73469402769048 32.065 > 37 38 S 0.55658241945601 0.24653930771750 0.73469402769048 32.065 > 37 39 S 0.05658241945601 0.74653930771750 0.73469402769048 32.065 > 37 40 S 0.55658241945601 0.74653930771750 0.73469402769048 32.065 > 37 41 S 0.05658241945601 0.00346069228250 0.23469402769048 32.065 > 41 42 S 0.55658241945601 0.00346069228250 0.23469402769048 32.065 > 41 43 S 0.05658241945601 0.50346069228250 0.23469402769048 32.065 > 41 44 S 0.55658241945601 0.50346069228250 0.23469402769048 32.065 > 41 45 S 0.44341758054399 0.25346069228250 0.26530597230952 32.065 > 45 46 S 0.94341758054399 0.25346069228250 0.26530597230952 32.065 > 45 47 S 0.44341758054399 0.75346069228250 0.26530597230952 32.065 > 45 48 S 0.94341758054399 0.75346069228250 0.26530597230952 32.065 > 45 49 S 0.38967111142333 0.09814767380767 0.45256567211272 32.065 > 49 50 S 0.88967111142333 0.09814767380767 0.45256567211272 32.065 > 49 51 S 0.38967111142333 0.59814767380767 0.45256567211272 32.065 > 49 52 S 0.88967111142333 0.59814767380767 0.45256567211272 32.065 > 49 53 S 0.11032888857667 0.34814767380767 0.04743432788728 32.065 > 53 54 S 0.61032888857667 0.34814767380767 0.04743432788728 32.065 > 53 55 S 0.11032888857667 0.84814767380767 0.04743432788728 32.065 > 53 56 S 0.61032888857667 0.84814767380767 0.04743432788728 32.065 > 53 57 S 0.11032888857667 0.40185232619233 0.54743432788728 32.065 > 57 58 S 0.61032888857667 0.40185232619233 0.54743432788728 32.065 > 57 59 S 0.11032888857667 0.90185232619233 0.54743432788728 32.065 > 57 60 S 0.61032888857667 0.90185232619233 0.54743432788728 32.065 > 57 61 S 0.38967111142333 0.15185232619233 0.95256567211272 32.065 > 61 62 S 0.88967111142333 0.15185232619233 0.95256567211272 32.065 > 61 63 S 0.38967111142333 0.65185232619233 0.95256567211272 32.065 > 61 64 S 0.88967111142333 0.65185232619233 0.95256567211272 32.065 > 61 65 Ca 0.14336141547311 0.19073257424329 0.24760852742783 40.078 > 65 66 Ca 0.64336141547311 0.19073257424329 0.24760852742783 40.078 > 65 67 Ca 0.14336141547311 0.69073257424329 0.24760852742783 40.078 > 65 68 Ca 0.64336141547311 0.69073257424329 0.24760852742783 40.078 > 65 69 Ca 0.35663858452689 0.44073257424329 0.25239147257217 40.078 > 69 70 Ca 0.85663858452689 0.44073257424329 0.25239147257217 40.078 > 69 71 Ca 0.35663858452689 0.94073257424329 0.25239147257217 40.078 > 69 72 Ca 0.85663858452689 0.94073257424329 0.25239147257217 40.078 > 69 73 Ca 0.35663858452689 0.30926742575671 0.75239147257217 40.078 > 73 74 Ca 0.85663858452689 0.30926742575671 0.75239147257217 40.078 > 73 75 Ca 0.35663858452689 0.80926742575671 0.75239147257217 40.078 > 73 76 Ca 0.85663858452689 0.80926742575671 0.75239147257217 40.078 > 73 77 Ca 0.14336141547311 0.05926742575671 0.74760852742783 40.078 > 77 78 Ca 0.64336141547311 0.05926742575671 0.74760852742783 40.078 > 77 79 Ca 0.14336141547311 0.55926742575671 0.74760852742783 40.078 > 77 80 Ca 0.64336141547311 0.55926742575671 0.74760852742783 40.078 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7832904 0.0000000 -0.0174617 0.0000000 5.7500509 0.0000000 -0.0174613 0.0000000 5.9381551 -------------------------- Born effective charges -------------------------- 1 P 2.3000147 0.3514464 -0.1838952 0.3956783 1.9726168 0.4817562 -0.1514633 0.2939835 2.0398941 2 P 2.3000147 -0.3514464 -0.1838952 -0.3956783 1.9726168 -0.4817562 -0.1514633 -0.2939835 2.0398941 3 P 2.3000147 0.3514464 -0.1838952 0.3956783 1.9726168 0.4817562 -0.1514633 0.2939835 2.0398941 4 P 2.3000147 -0.3514464 -0.1838952 -0.3956783 1.9726168 -0.4817562 -0.1514633 -0.2939835 2.0398941 5 S -1.5162815 0.4667792 0.2861732 0.4230917 -1.9328672 -0.1789946 0.2129869 -0.1742235 -1.2539351 6 S -1.5162815 -0.4667792 0.2861732 -0.4230917 -1.9328672 0.1789946 0.2129869 0.1742235 -1.2539351 7 S -1.5162815 0.4667792 0.2861732 0.4230917 -1.9328672 -0.1789946 0.2129869 -0.1742235 -1.2539351 8 S -1.5162815 -0.4667792 0.2861732 -0.4230917 -1.9328672 0.1789946 0.2129869 0.1742235 -1.2539351 9 S -1.5144853 -0.0756247 -0.2212854 -0.1727526 -1.3489593 0.2543049 -0.3014899 0.4273295 -1.7403486 10 S -1.5144853 0.0756247 -0.2212854 0.1727526 -1.3489593 -0.2543049 -0.3014899 -0.4273295 -1.7403486 11 S -1.5144853 -0.0756247 -0.2212854 -0.1727526 -1.3489593 0.2543049 -0.3014899 0.4273295 -1.7403486 12 S -1.5144853 0.0756247 -0.2212854 0.1727526 -1.3489593 -0.2543049 -0.3014899 -0.4273295 -1.7403486 13 S -1.8420335 0.0163086 0.2165911 -0.0956564 -1.1728639 0.0464377 0.1353076 -0.1784976 -1.5579952 14 S -1.8420335 -0.0163086 0.2165911 0.0956564 -1.1728639 -0.0464377 0.1353076 0.1784976 -1.5579952 15 S -1.8420335 0.0163086 0.2165911 -0.0956564 -1.1728639 0.0464377 0.1353076 -0.1784976 -1.5579952 16 S -1.8420335 -0.0163086 0.2165911 0.0956564 -1.1728639 -0.0464377 0.1353076 0.1784976 -1.5579952 17 Ca 2.5727856 -0.0212297 -0.0975836 0.2163799 2.4820736 -0.1678839 0.1046588 -0.5079750 2.5123848 18 Ca 2.5727856 0.0212297 -0.0975836 -0.2163799 2.4820736 0.1678839 0.1046588 0.5079750 2.5123848 19 Ca 2.5727856 -0.0212297 -0.0975836 0.2163799 2.4820736 -0.1678839 0.1046588 -0.5079750 2.5123848 20 Ca 2.5727856 0.0212297 -0.0975836 -0.2163799 2.4820736 0.1678839 0.1046588 0.5079750 2.5123848 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 6 ] 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: 0.55, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 11.241 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 13.037 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.920 ( 0.000 0.000 0.000) 0.000 17.003 ( 0.000 0.000 0.000) 0.000 17.162 ( 0.000 0.000 0.000) 0.000 17.365 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 17.797 ( 0.000 0.000 0.000) 0.000 17.850 ( 0.000 0.000 0.000) 0.000 17.882 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 23.703 0.000 6.159) 24.490 0.578 ( 18.207 0.000 22.053) 28.598 1.045 ( 37.991 0.000 30.643) 48.808 2.295 ( 2.698 0.000 -13.987) 14.245 2.538 ( 1.965 0.000 8.775) 8.992 2.711 ( 1.744 0.000 -14.054) 14.162 2.845 ( -4.336 0.000 -0.440) 4.359 2.994 ( -1.544 0.000 1.456) 2.122 3.112 ( -1.058 0.000 1.470) 1.811 3.386 ( -5.229 0.000 -1.152) 5.354 3.494 ( -0.265 0.000 -2.294) 2.309 3.643 ( 2.697 0.000 -1.014) 2.881 3.725 ( -9.575 0.000 -0.070) 9.576 3.957 ( -8.872 0.000 1.233) 8.957 4.073 ( -3.451 0.000 1.000) 3.593 4.144 ( -11.187 0.000 1.475) 11.284 4.203 ( 6.690 0.000 -2.035) 6.993 4.364 ( -7.567 0.000 2.860) 8.090 4.401 ( 4.870 0.000 0.275) 4.878 4.535 ( -4.291 0.000 -5.103) 6.667 4.652 ( -9.240 0.000 20.916) 22.866 4.725 ( 1.812 0.000 2.745) 3.289 4.790 ( 0.400 0.000 -3.152) 3.177 4.965 ( -3.319 0.000 -4.847) 5.875 5.341 ( 2.097 0.000 -8.641) 8.892 5.431 ( -0.139 0.000 7.195) 7.196 5.459 ( -4.154 0.000 5.347) 6.771 5.604 ( 7.963 0.000 -9.588) 12.463 5.734 ( 2.625 0.000 -1.860) 3.217 5.787 ( 1.169 0.000 2.075) 2.382 5.889 ( 1.794 0.000 7.522) 7.733 5.925 ( 4.483 0.000 -1.301) 4.668 6.329 ( 3.213 0.000 4.391) 5.441 6.563 ( -3.896 0.000 -1.364) 4.128 6.641 ( 1.960 0.000 -1.773) 2.643 6.654 ( 1.702 0.000 -1.847) 2.512 6.848 ( 5.186 0.000 4.717) 7.010 7.082 ( 11.539 0.000 -10.305) 15.470 7.218 ( -0.325 0.000 -1.165) 1.209 7.515 ( -2.297 0.000 0.993) 2.503 7.643 ( -0.256 0.000 3.506) 3.515 7.691 ( 1.763 0.000 1.015) 2.034 8.003 ( -1.280 0.000 -1.071) 1.669 8.085 ( -2.856 0.000 -1.769) 3.359 8.541 ( -2.534 0.000 -2.585) 3.620 8.695 ( -0.750 0.000 -0.491) 0.897 11.237 ( -0.648 0.000 0.317) 0.722 11.293 ( -0.521 0.000 0.829) 0.979 12.975 ( -0.324 0.000 0.328) 0.461 13.125 ( -4.675 0.000 4.137) 6.242 16.430 ( 0.146 0.000 -0.723) 0.738 16.439 ( 1.752 0.000 0.758) 1.909 16.920 ( 0.620 0.000 -0.812) 1.022 17.170 ( 0.760 0.000 0.278) 0.809 17.270 ( 17.717 0.000 -24.547) 30.273 17.392 ( 2.838 0.000 -0.363) 2.862 17.436 ( 0.943 0.000 0.078) 0.946 17.771 ( 0.918 0.000 -5.452) 5.528 17.844 ( -4.225 0.000 5.477) 6.917 18.104 ( -9.597 0.000 12.338) 15.631 ======================= Grid point 2 (3/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 23.454 0.000 7.007) 24.478 1.126 ( 16.856 0.000 19.816) 26.016 1.969 ( 30.168 0.000 24.380) 38.788 2.156 ( 2.400 0.000 -17.649) 17.812 2.548 ( -4.810 0.000 -8.464) 9.735 2.673 ( 2.268 0.000 7.709) 8.036 2.757 ( 2.636 0.000 -7.717) 8.154 2.956 ( -4.334 0.000 1.098) 4.471 3.140 ( -0.828 0.000 4.015) 4.099 3.294 ( -8.803 0.000 6.582) 10.992 3.447 ( -2.028 0.000 -2.709) 3.384 3.551 ( -6.525 0.000 -3.436) 7.374 3.632 ( -3.410 0.000 -0.032) 3.410 3.829 ( -12.718 0.000 -4.810) 13.597 3.837 ( -2.526 0.000 -3.835) 4.592 4.176 ( 1.403 0.000 5.320) 5.502 4.249 ( -8.754 0.000 3.140) 9.301 4.282 ( -4.331 0.000 0.541) 4.364 4.397 ( 2.440 0.000 -5.425) 5.949 4.461 ( 1.083 0.000 0.918) 1.420 4.659 ( -8.566 0.000 6.633) 10.834 4.752 ( 0.081 0.000 -0.767) 0.772 4.798 ( 3.919 0.000 -1.089) 4.068 4.891 ( 0.358 0.000 -2.023) 2.055 5.281 ( 1.936 0.000 -8.331) 8.553 5.401 ( -5.731 0.000 0.746) 5.779 5.522 ( 4.240 0.000 -0.344) 4.254 5.622 ( 0.962 0.000 -2.657) 2.825 5.767 ( 5.358 0.000 -1.482) 5.559 5.849 ( 1.876 0.000 2.800) 3.371 5.958 ( 2.136 0.000 -3.216) 3.861 6.021 ( 3.306 0.000 6.280) 7.097 6.455 ( 3.398 0.000 5.757) 6.685 6.490 ( -2.974 0.000 -1.114) 3.176 6.689 ( 5.023 0.000 -0.903) 5.103 6.694 ( 4.611 0.000 0.585) 4.648 6.970 ( 2.411 0.000 3.924) 4.606 7.164 ( 7.393 0.000 -5.071) 8.965 7.207 ( 2.026 0.000 -2.243) 3.023 7.491 ( -0.907 0.000 -0.166) 0.922 7.685 ( 0.332 0.000 3.710) 3.725 7.748 ( 2.546 0.000 2.017) 3.248 7.953 ( -2.604 0.000 -1.748) 3.136 7.998 ( -3.874 0.000 -2.372) 4.542 8.444 ( -3.765 0.000 -4.185) 5.629 8.672 ( -2.011 0.000 0.799) 2.164 11.227 ( -1.025 0.000 0.562) 1.169 11.295 ( -0.742 0.000 1.366) 1.555 12.971 ( -0.632 0.000 0.458) 0.781 13.082 ( -3.331 0.000 0.595) 3.384 16.421 ( 0.137 0.000 -1.251) 1.259 16.484 ( 2.102 0.000 0.871) 2.275 16.921 ( 0.989 0.000 -1.507) 1.802 17.195 ( 1.974 0.000 -0.106) 1.977 17.298 ( 8.475 0.000 -9.197) 12.506 17.425 ( 1.192 0.000 -1.089) 1.615 17.461 ( 1.311 0.000 0.773) 1.522 17.715 ( 0.029 0.000 -5.045) 5.045 17.849 ( -2.797 0.000 6.456) 7.036 18.075 ( -5.902 0.000 5.658) 8.176 ======================= Grid point 3 (4/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 21.680 0.000 8.010) 23.112 1.583 ( 12.483 0.000 12.162) 17.428 1.990 ( 1.435 0.000 -13.007) 13.086 2.344 ( -0.209 0.000 -9.237) 9.240 2.537 ( 2.891 0.000 10.752) 11.134 2.787 ( 0.948 0.000 6.242) 6.314 2.839 ( 14.566 0.000 -6.198) 15.830 2.912 ( -2.514 0.000 3.120) 4.007 3.131 ( -8.896 0.000 6.706) 11.140 3.198 ( -11.370 0.000 6.389) 13.042 3.364 ( -1.371 0.000 -0.631) 1.509 3.467 ( 1.425 0.000 -3.434) 3.718 3.569 ( -5.630 0.000 5.861) 8.127 3.633 ( -2.582 0.000 -5.460) 6.040 3.789 ( 1.538 0.000 -4.194) 4.467 4.055 ( -9.577 0.000 -8.599) 12.871 4.144 ( -5.937 0.000 2.470) 6.430 4.276 ( 3.585 0.000 2.394) 4.311 4.445 ( -2.856 0.000 1.656) 3.302 4.515 ( 5.994 0.000 1.813) 6.262 4.564 ( -6.394 0.000 0.607) 6.423 4.759 ( 0.914 0.000 -0.001) 0.914 4.859 ( 4.275 0.000 -0.300) 4.286 4.901 ( 0.990 0.000 0.384) 1.062 5.195 ( -2.662 0.000 -5.633) 6.230 5.321 ( -1.746 0.000 -2.259) 2.855 5.532 ( -0.835 0.000 -1.604) 1.808 5.583 ( -1.232 0.000 -3.189) 3.418 5.866 ( 5.279 0.000 0.611) 5.315 5.891 ( -0.554 0.000 1.508) 1.606 5.946 ( 1.706 0.000 -2.988) 3.441 6.148 ( 4.553 0.000 3.836) 5.954 6.438 ( -1.714 0.000 -0.688) 1.847 6.552 ( 2.724 0.000 1.840) 3.287 6.783 ( 4.416 0.000 0.425) 4.437 6.813 ( 6.298 0.000 4.432) 7.701 7.005 ( -1.789 0.000 1.844) 2.569 7.189 ( 2.141 0.000 -5.143) 5.570 7.247 ( 4.492 0.000 -1.475) 4.728 7.481 ( -0.129 0.000 -0.110) 0.170 7.740 ( 1.106 0.000 3.019) 3.215 7.803 ( 0.130 0.000 1.757) 1.762 7.881 ( -2.930 0.000 -1.879) 3.480 7.927 ( -0.872 0.000 -1.107) 1.409 8.332 ( -3.169 0.000 -3.910) 5.032 8.649 ( -1.855 0.000 1.124) 2.169 11.216 ( -0.962 0.000 0.565) 1.116 11.299 ( -0.582 0.000 1.316) 1.439 12.964 ( -0.715 0.000 0.337) 0.790 13.032 ( -2.361 0.000 -0.458) 2.405 16.408 ( 0.062 0.000 -1.232) 1.233 16.523 ( 1.300 0.000 0.525) 1.402 16.918 ( 0.795 0.000 -1.539) 1.733 17.231 ( 2.957 0.000 -1.062) 3.142 17.340 ( 5.100 0.000 -4.058) 6.517 17.396 ( -2.927 0.000 -0.829) 3.042 17.498 ( 1.255 0.000 1.638) 2.063 17.667 ( -0.046 0.000 -2.869) 2.869 17.900 ( 0.240 0.000 5.236) 5.241 18.038 ( -4.058 0.000 2.780) 4.919 ======================= Grid point 4 (5/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.096 0.000 -4.101) 4.245 1.823 ( 10.516 0.000 5.094) 11.684 2.021 ( 4.263 0.000 3.927) 5.796 2.302 ( 6.553 0.000 -2.758) 7.110 2.544 ( -8.453 0.000 -0.494) 8.467 2.826 ( -0.172 0.000 0.590) 0.615 2.842 ( 1.469 0.000 -7.502) 7.644 2.953 ( 0.011 0.000 4.597) 4.597 3.037 ( -7.322 0.000 4.902) 8.812 3.096 ( -4.394 0.000 1.130) 4.537 3.451 ( 2.602 0.000 1.359) 2.936 3.507 ( 3.567 0.000 3.491) 4.991 3.567 ( -0.086 0.000 0.460) 0.468 3.629 ( 2.616 0.000 3.873) 4.674 3.678 ( -5.217 0.000 -10.120) 11.386 3.910 ( -0.212 0.000 -0.810) 0.837 4.095 ( -2.104 0.000 0.992) 2.326 4.361 ( 4.940 0.000 0.138) 4.942 4.401 ( -1.978 0.000 -0.254) 1.995 4.461 ( -5.734 0.000 -0.446) 5.752 4.613 ( 2.009 0.000 1.834) 2.720 4.768 ( -0.453 0.000 0.863) 0.975 4.919 ( 0.516 0.000 0.219) 0.561 4.942 ( 5.624 0.000 -0.618) 5.657 5.078 ( -5.042 0.000 -1.807) 5.356 5.288 ( 0.230 0.000 -1.574) 1.590 5.501 ( -2.299 0.000 2.079) 3.100 5.519 ( -0.044 0.000 -4.438) 4.438 5.877 ( -0.758 0.000 -0.324) 0.824 5.934 ( 1.746 0.000 0.419) 1.795 5.951 ( 0.739 0.000 -0.548) 0.920 6.247 ( 2.547 0.000 1.372) 2.893 6.415 ( -0.440 0.000 -0.175) 0.474 6.597 ( 1.330 0.000 0.038) 1.330 6.847 ( 2.613 0.000 -0.158) 2.618 6.971 ( 3.962 0.000 5.766) 6.995 6.980 ( -1.930 0.000 0.564) 2.011 7.127 ( -1.371 0.000 -5.271) 5.447 7.296 ( 2.012 0.000 -0.486) 2.070 7.481 ( 0.177 0.000 -0.109) 0.208 7.768 ( -0.789 0.000 0.994) 1.269 7.790 ( -1.396 0.000 0.263) 1.420 7.835 ( -0.137 0.000 -0.662) 0.676 7.940 ( 1.160 0.000 0.289) 1.196 8.260 ( -1.228 0.000 -1.613) 2.027 8.636 ( -0.740 0.000 0.528) 0.909 11.209 ( -0.401 0.000 0.241) 0.468 11.304 ( -0.208 0.000 0.554) 0.592 12.957 ( -0.330 0.000 0.109) 0.347 12.998 ( -0.878 0.000 -0.307) 0.930 16.397 ( 0.016 0.000 -0.517) 0.517 16.541 ( 0.389 0.000 0.158) 0.420 16.914 ( 0.276 0.000 -0.646) 0.702 17.272 ( 3.698 0.000 -1.565) 4.015 17.329 ( -4.223 0.000 0.665) 4.275 17.369 ( 1.780 0.000 -1.295) 2.201 17.533 ( 0.656 0.000 0.966) 1.168 17.646 ( 0.078 0.000 -0.873) 0.877 17.954 ( 0.485 0.000 2.028) 2.085 18.008 ( -1.574 0.000 0.807) 1.769 ======================= Grid point 9 (6/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 28.174 0.000) 28.174 0.652 ( 0.000 32.564 0.000) 32.564 0.931 ( 0.000 45.410 0.000) 45.410 2.417 ( 0.000 2.007 0.000) 2.007 2.476 ( 0.000 4.680 0.000) 4.680 2.754 ( 0.000 2.018 0.000) 2.018 2.815 ( 0.000 -5.606 0.000) 5.606 2.899 ( 0.000 -8.791 0.000) 8.791 3.124 ( 0.000 -0.452 0.000) 0.452 3.447 ( 0.000 -0.271 0.000) 0.271 3.505 ( 0.000 -1.081 0.000) 1.081 3.618 ( 0.000 0.771 0.000) 0.771 3.788 ( 0.000 -12.500 0.000) 12.500 3.896 ( 0.000 -13.166 0.000) 13.166 3.982 ( 0.000 5.924 0.000) 5.924 4.068 ( 0.000 -9.106 0.000) 9.106 4.213 ( 0.000 -4.544 0.000) 4.544 4.295 ( 0.000 1.260 0.000) 1.260 4.331 ( 0.000 -1.985 0.000) 1.985 4.512 ( 0.000 5.062 0.000) 5.062 4.746 ( 0.000 5.140 0.000) 5.140 4.777 ( 0.000 2.944 0.000) 2.944 4.924 ( 0.000 0.827 0.000) 0.827 4.950 ( 0.000 -2.124 0.000) 2.124 5.104 ( 0.000 3.162 0.000) 3.162 5.389 ( 0.000 -1.885 0.000) 1.885 5.540 ( 0.000 0.208 0.000) 0.208 5.639 ( 0.000 -1.711 0.000) 1.711 5.763 ( 0.000 2.525 0.000) 2.525 5.851 ( 0.000 -3.146 0.000) 3.146 5.861 ( 0.000 1.651 0.000) 1.651 5.910 ( 0.000 8.441 0.000) 8.441 6.316 ( 0.000 3.501 0.000) 3.501 6.574 ( 0.000 -3.918 0.000) 3.918 6.644 ( 0.000 0.234 0.000) 0.234 6.697 ( 0.000 -1.266 0.000) 1.266 6.734 ( 0.000 3.344 0.000) 3.344 6.921 ( 0.000 -1.550 0.000) 1.550 7.223 ( 0.000 -1.429 0.000) 1.429 7.477 ( 0.000 0.224 0.000) 0.224 7.642 ( 0.000 1.813 0.000) 1.813 7.662 ( 0.000 -0.907 0.000) 0.907 8.002 ( 0.000 -1.803 0.000) 1.803 8.084 ( 0.000 -3.272 0.000) 3.272 8.276 ( 0.000 4.178 0.000) 4.178 9.148 ( 0.000 -5.478 0.000) 5.478 11.244 ( 0.000 0.373 0.000) 0.373 11.295 ( 0.000 0.166 0.000) 0.166 13.041 ( 0.000 0.378 0.000) 0.378 13.143 ( 0.000 -1.301 0.000) 1.301 16.409 ( 0.000 -0.798 0.000) 0.798 16.419 ( 0.000 -1.303 0.000) 1.303 16.931 ( 0.000 1.115 0.000) 1.115 17.006 ( 0.000 0.303 0.000) 0.303 17.189 ( 0.000 2.481 0.000) 2.481 17.426 ( 0.000 -0.203 0.000) 0.203 17.463 ( 0.000 1.106 0.000) 1.106 17.785 ( 0.000 -4.024 0.000) 4.024 17.943 ( 0.000 3.662 0.000) 3.662 18.114 ( 0.000 0.124 0.000) 0.124 ======================= Grid point 10 (7/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 13.171 17.737 11.413) 24.867 0.801 ( 15.758 25.039 1.932) 29.648 1.409 ( 25.276 29.221 24.283) 45.633 2.333 ( 2.430 3.606 -13.426) 14.113 2.570 ( 1.307 2.743 8.768) 9.279 2.710 ( 2.553 0.327 -12.385) 12.649 2.784 ( -5.662 -5.824 1.864) 8.334 2.912 ( 0.318 -7.383 1.599) 7.561 3.101 ( 0.272 -0.070 -1.721) 1.744 3.404 ( -5.249 0.881 -0.348) 5.333 3.480 ( -0.034 -1.712 -3.040) 3.490 3.615 ( -3.738 -2.331 -0.879) 4.492 3.716 ( -8.184 -4.576 -0.334) 9.382 3.820 ( -3.708 -11.020 4.233) 12.373 4.019 ( -4.771 -9.594 1.636) 10.839 4.040 ( -2.234 1.401 -0.466) 2.678 4.145 ( -4.348 -6.222 4.509) 8.829 4.349 ( 1.887 -1.473 2.194) 3.247 4.372 ( -1.756 -10.589 6.051) 12.322 4.470 ( -4.348 4.841 -0.014) 6.507 4.592 ( -6.173 4.208 -5.697) 9.395 4.831 ( -1.871 2.815 -0.981) 3.519 4.888 ( 4.302 6.604 4.164) 8.914 5.026 ( 0.795 2.566 -5.996) 6.570 5.243 ( 8.288 -3.678 3.444) 9.699 5.364 ( 1.057 -1.320 -4.128) 4.461 5.530 ( -2.975 1.743 5.460) 6.458 5.713 ( 4.289 2.833 -9.336) 10.658 5.758 ( 3.929 1.277 2.173) 4.667 5.821 ( -0.434 2.106 0.561) 2.222 5.930 ( 1.978 2.533 2.901) 4.329 5.953 ( 4.902 4.078 1.845) 6.638 6.345 ( 1.931 1.266 2.109) 3.127 6.551 ( -2.467 -2.487 -0.292) 3.515 6.606 ( 1.318 -2.002 -1.016) 2.603 6.646 ( -1.325 2.122 -2.345) 3.429 6.846 ( 5.524 0.109 4.898) 7.384 7.020 ( 9.614 -3.559 -3.808) 10.936 7.215 ( 0.947 -0.721 -2.159) 2.465 7.492 ( 0.056 -1.121 0.361) 1.179 7.643 ( -0.339 0.330 1.595) 1.663 7.700 ( 1.473 0.137 2.517) 2.919 7.984 ( -1.197 -1.833 -1.230) 2.512 8.049 ( -2.720 -3.266 -1.774) 4.606 8.369 ( 3.659 -2.292 3.923) 5.834 8.922 ( -10.591 4.506 -8.575) 14.353 11.245 ( -0.630 0.558 0.582) 1.023 11.296 ( -0.403 0.271 0.766) 0.907 13.005 ( -1.396 1.700 -0.902) 2.378 13.128 ( -3.375 -0.280 2.363) 4.129 16.417 ( 0.297 -1.167 -0.431) 1.279 16.428 ( 1.571 -0.949 0.522) 1.908 16.928 ( 0.445 0.951 -0.590) 1.204 17.120 ( 8.370 -4.444 -4.045) 10.304 17.220 ( 5.543 1.548 -1.899) 6.060 17.438 ( 0.132 0.893 0.457) 1.012 17.456 ( 3.126 1.715 -3.536) 5.021 17.761 ( -0.042 -2.585 -3.815) 4.609 17.889 ( -4.876 4.348 1.900) 6.803 18.097 ( -5.831 -0.387 6.530) 8.763 ======================= Grid point 11 (8/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 16.509 14.154 9.901) 23.894 1.206 ( 18.634 9.712 13.232) 24.832 2.098 ( 18.442 10.007 6.587) 21.992 2.222 ( 7.591 7.554 -3.170) 11.168 2.572 ( -2.700 1.710 -8.114) 8.721 2.685 ( 0.362 -3.731 -2.168) 4.330 2.716 ( 1.124 0.969 4.389) 4.633 2.919 ( -0.629 -4.168 -0.569) 4.254 3.106 ( 0.043 -1.453 1.362) 1.992 3.294 ( -8.761 -2.123 4.418) 10.039 3.439 ( -1.706 -4.780 -4.637) 6.875 3.453 ( -10.004 -3.378 0.532) 10.572 3.609 ( -3.389 -2.044 -1.229) 4.144 3.740 ( -10.454 -5.597 -1.164) 11.915 3.917 ( 0.415 2.969 -0.518) 3.042 4.081 ( 0.310 -5.500 4.554) 7.147 4.176 ( -1.457 -6.825 4.309) 8.202 4.271 ( -10.478 -2.354 -1.100) 10.795 4.364 ( -2.469 -8.735 1.143) 9.149 4.432 ( -1.683 -3.328 1.506) 4.022 4.492 ( -0.815 1.577 -1.409) 2.266 4.796 ( 1.302 3.462 -3.652) 5.198 4.954 ( -0.826 5.800 -4.430) 7.345 4.984 ( 2.685 8.728 1.825) 9.312 5.318 ( 1.881 1.142 -4.169) 4.714 5.363 ( 1.474 -1.137 -3.350) 3.832 5.538 ( 0.046 0.861 1.647) 1.859 5.703 ( 2.475 5.364 -3.108) 6.676 5.802 ( 2.312 3.891 -1.937) 4.923 5.850 ( 1.331 -0.409 1.588) 2.112 6.020 ( 3.757 0.379 4.737) 6.058 6.047 ( 2.945 6.909 0.411) 7.522 6.426 ( 2.684 -2.582 3.631) 5.201 6.505 ( -2.167 0.400 -0.216) 2.215 6.647 ( 4.231 -2.903 -1.118) 5.252 6.664 ( 4.399 -1.259 1.170) 4.723 6.978 ( 2.793 0.770 4.049) 4.979 7.118 ( 5.648 -2.820 -2.435) 6.766 7.221 ( 4.113 0.119 -3.753) 5.569 7.489 ( -0.113 -0.393 -0.136) 0.431 7.672 ( 0.788 -0.810 2.557) 2.795 7.756 ( 1.538 0.123 2.580) 3.006 7.934 ( -2.610 -1.817 -1.654) 3.584 7.963 ( -3.840 -3.156 -2.421) 5.529 8.417 ( -0.804 -0.990 -0.366) 1.326 8.709 ( -5.816 1.591 -3.302) 6.874 11.237 ( -1.061 0.805 0.623) 1.471 11.298 ( -0.721 0.273 1.207) 1.432 12.983 ( -0.985 1.004 0.167) 1.417 13.087 ( -3.125 0.207 0.392) 3.156 16.413 ( 0.329 -0.683 -1.027) 1.276 16.470 ( 2.049 -1.281 0.774) 2.537 16.930 ( 0.878 0.965 -1.238) 1.799 17.172 ( 3.104 -2.347 -1.685) 4.241 17.301 ( 7.116 0.917 -4.688) 8.571 17.436 ( 0.116 1.576 -0.544) 1.671 17.492 ( 2.620 1.689 -0.167) 3.122 17.707 ( -0.253 -0.882 -4.377) 4.472 17.857 ( -3.555 1.199 5.295) 6.489 18.069 ( -5.163 -0.561 4.868) 7.118 ======================= Grid point 12 (9/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 15.777 8.386 9.705) 20.333 1.656 ( 15.459 6.810 11.032) 20.175 2.005 ( 1.570 2.527 -13.598) 13.920 2.401 ( -1.697 4.261 -8.302) 9.484 2.580 ( 0.424 2.909 6.734) 7.348 2.751 ( 12.444 -6.659 -1.601) 14.205 2.808 ( -0.248 0.791 4.649) 4.722 2.905 ( 0.692 -0.920 0.500) 1.255 3.102 ( -7.649 -0.428 6.696) 10.174 3.190 ( -7.872 -2.951 0.123) 8.408 3.292 ( -4.482 -8.464 -1.633) 9.716 3.353 ( -4.420 -5.375 0.873) 7.014 3.584 ( -1.034 -3.301 -5.181) 6.230 3.616 ( -0.406 4.490 6.611) 8.002 3.928 ( 0.822 8.903 -2.157) 9.198 4.050 ( -8.437 -1.599 -3.146) 9.146 4.079 ( -2.746 -5.944 -2.014) 6.850 4.223 ( 1.875 -5.650 3.574) 6.943 4.376 ( -1.504 -8.993 4.326) 10.092 4.418 ( -1.453 -2.869 -0.056) 3.217 4.467 ( -1.609 -4.646 1.785) 5.231 4.794 ( 1.979 2.919 -2.804) 4.505 4.918 ( 2.683 5.057 -3.145) 6.531 5.038 ( 1.170 9.748 1.800) 9.982 5.272 ( -1.671 -3.346 -3.687) 5.252 5.295 ( -1.918 7.393 -4.853) 9.050 5.546 ( 0.794 -0.773 -3.314) 3.495 5.685 ( -1.568 11.353 -0.451) 11.469 5.845 ( 2.881 -1.749 -0.256) 3.380 5.879 ( 1.076 -0.957 0.591) 1.557 6.082 ( 1.511 9.729 0.148) 9.846 6.146 ( 4.833 0.258 3.108) 5.752 6.453 ( -0.743 1.211 -0.503) 1.507 6.519 ( 2.198 -3.129 1.417) 4.078 6.722 ( 3.871 -4.835 0.254) 6.199 6.790 ( 6.078 -1.575 4.499) 7.724 7.014 ( -1.680 1.032 1.577) 2.524 7.163 ( 2.808 -1.718 -3.158) 4.562 7.259 ( 4.432 0.430 -2.697) 5.206 7.491 ( 0.457 0.494 0.032) 0.674 7.721 ( 1.125 -1.436 2.469) 3.070 7.802 ( -0.329 -0.482 1.859) 1.948 7.862 ( -3.019 -1.817 -1.565) 3.856 7.889 ( -1.024 -3.382 -1.416) 3.806 8.352 ( -2.804 1.830 -3.387) 4.762 8.634 ( -2.276 -1.528 0.871) 2.876 11.225 ( -0.998 0.785 0.470) 1.354 11.300 ( -0.643 0.039 1.148) 1.316 12.970 ( -0.809 0.594 0.243) 1.033 13.037 ( -2.331 0.395 -0.472) 2.411 16.406 ( 0.225 -0.154 -1.034) 1.069 16.507 ( 1.300 -1.456 0.427) 1.998 16.928 ( 0.708 1.041 -1.335) 1.835 17.204 ( 2.724 -2.502 -1.357) 3.940 17.338 ( 2.320 0.284 -3.347) 4.082 17.427 ( 0.064 2.870 -0.702) 2.956 17.538 ( 1.783 2.767 1.716) 3.713 17.660 ( -0.132 -0.157 -2.936) 2.943 17.887 ( -0.244 -1.078 4.664) 4.793 18.036 ( -3.939 -0.275 2.951) 4.930 ======================= Grid point 13 (10/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 2.035 4.113 -0.552) 4.622 1.922 ( 7.696 8.688 1.572) 11.713 2.022 ( 5.084 0.834 3.193) 6.061 2.353 ( 5.370 4.194 -1.551) 6.988 2.580 ( -5.830 2.670 -0.034) 6.412 2.753 ( -4.322 -4.649 -1.592) 6.544 2.855 ( 6.308 -2.589 -5.549) 8.792 2.945 ( 0.491 -0.664 3.227) 3.331 3.018 ( -10.002 -0.793 8.599) 13.214 3.055 ( -2.940 -3.537 -3.974) 6.078 3.297 ( 3.138 -10.219 -1.464) 10.790 3.346 ( -2.151 -7.818 5.372) 9.727 3.522 ( 0.101 -3.533 -4.323) 5.584 3.708 ( -0.161 5.518 3.223) 6.393 3.830 ( -1.238 4.453 -3.097) 5.563 4.022 ( 2.077 9.146 0.327) 9.384 4.030 ( -1.259 -5.507 -0.221) 5.654 4.275 ( 0.678 -9.897 0.992) 9.970 4.373 ( -2.640 -0.727 1.477) 3.111 4.388 ( -0.207 -3.900 -0.202) 3.911 4.494 ( 0.780 -7.685 1.476) 7.864 4.785 ( -0.311 0.686 -0.425) 0.864 4.956 ( 3.061 4.295 -1.271) 5.425 5.074 ( 1.407 9.794 1.079) 9.954 5.182 ( -3.937 1.496 -1.182) 4.375 5.232 ( -0.051 3.078 -3.125) 4.386 5.504 ( -0.788 0.200 -1.934) 2.098 5.665 ( -0.386 12.600 -0.160) 12.607 5.850 ( -0.389 -2.104 -0.309) 2.162 5.917 ( 1.338 -1.657 0.292) 2.150 6.105 ( 0.603 12.112 0.289) 12.130 6.235 ( 2.245 -1.220 0.900) 2.709 6.445 ( 0.040 2.246 -0.033) 2.247 6.560 ( 1.266 -3.590 0.092) 3.808 6.773 ( 1.775 -5.823 -0.061) 6.088 6.928 ( 2.122 -2.412 3.761) 4.946 7.005 ( 0.300 1.225 1.357) 1.853 7.129 ( -0.912 0.052 -3.983) 4.086 7.299 ( 1.944 0.100 -0.667) 2.057 7.500 ( 0.400 1.069 -0.043) 1.142 7.751 ( -0.076 -1.476 0.991) 1.780 7.777 ( -2.040 -1.295 0.120) 2.420 7.817 ( -0.445 -1.779 -0.701) 1.963 7.901 ( 1.129 -3.542 0.311) 3.731 8.283 ( -1.240 2.213 -1.570) 2.983 8.622 ( -0.664 -1.543 0.680) 1.812 11.216 ( -0.425 0.653 0.172) 0.798 11.302 ( -0.243 -0.191 0.480) 0.571 12.962 ( -0.327 0.478 0.095) 0.587 13.004 ( -0.895 0.442 -0.312) 1.046 16.399 ( 0.081 0.190 -0.437) 0.484 16.524 ( 0.392 -1.544 0.108) 1.596 16.925 ( 0.242 1.095 -0.572) 1.259 17.233 ( 1.916 -3.341 -0.794) 3.932 17.313 ( -1.300 0.039 -0.825) 1.541 17.429 ( 0.617 4.055 -0.477) 4.130 17.586 ( 1.189 4.019 1.444) 4.433 17.632 ( -0.298 -0.651 -1.367) 1.543 17.932 ( 0.594 -1.983 1.706) 2.682 18.008 ( -1.759 -0.092 1.044) 2.047 ======================= Grid point 18 (11/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.000 26.677 0.000) 26.677 1.281 ( 0.000 30.771 0.000) 30.771 1.749 ( 0.000 34.897 0.000) 34.897 2.426 ( 0.000 -4.095 0.000) 4.095 2.588 ( 0.000 5.806 0.000) 5.806 2.654 ( 0.000 -6.928 0.000) 6.928 2.743 ( 0.000 -6.440 0.000) 6.440 2.808 ( 0.000 3.287 0.000) 3.287 3.129 ( 0.000 1.117 0.000) 1.117 3.374 ( 0.000 -13.887 0.000) 13.887 3.415 ( 0.000 -3.616 0.000) 3.616 3.542 ( 0.000 -14.781 0.000) 14.781 3.581 ( 0.000 -3.019 0.000) 3.019 3.675 ( 0.000 -1.650 0.000) 1.650 3.898 ( 0.000 -7.413 0.000) 7.413 4.071 ( 0.000 -7.142 0.000) 7.142 4.176 ( 0.000 9.479 0.000) 9.479 4.279 ( 0.000 -2.268 0.000) 2.268 4.298 ( 0.000 -0.922 0.000) 0.922 4.609 ( 0.000 2.424 0.000) 2.424 4.810 ( 0.000 1.931 0.000) 1.931 4.852 ( 0.000 4.068 0.000) 4.068 4.935 ( 0.000 0.571 0.000) 0.571 4.974 ( 0.000 4.174 0.000) 4.174 5.157 ( 0.000 2.594 0.000) 2.594 5.345 ( 0.000 -2.638 0.000) 2.638 5.523 ( 0.000 -2.169 0.000) 2.169 5.615 ( 0.000 -0.920 0.000) 0.920 5.715 ( 0.000 -5.364 0.000) 5.364 5.754 ( 0.000 -5.806 0.000) 5.806 5.980 ( 0.000 8.230 0.000) 8.230 6.096 ( 0.000 9.016 0.000) 9.016 6.363 ( 0.000 0.535 0.000) 0.535 6.466 ( 0.000 -6.590 0.000) 6.590 6.677 ( 0.000 2.868 0.000) 2.868 6.708 ( 0.000 2.642 0.000) 2.642 6.809 ( 0.000 3.660 0.000) 3.660 6.880 ( 0.000 -2.463 0.000) 2.463 7.220 ( 0.000 1.929 0.000) 1.929 7.481 ( 0.000 -0.207 0.000) 0.207 7.630 ( 0.000 -1.980 0.000) 1.980 7.672 ( 0.000 0.773 0.000) 0.773 7.956 ( 0.000 -2.593 0.000) 2.593 8.009 ( 0.000 -3.985 0.000) 3.985 8.389 ( 0.000 7.247 0.000) 7.247 8.995 ( 0.000 -9.729 0.000) 9.729 11.256 ( 0.000 0.751 0.000) 0.751 11.296 ( 0.000 -0.108 0.000) 0.108 13.051 ( 0.000 0.569 0.000) 0.569 13.112 ( 0.000 -1.657 0.000) 1.657 16.389 ( 0.000 -1.092 0.000) 1.092 16.390 ( 0.000 -1.408 0.000) 1.408 16.959 ( 0.000 1.535 0.000) 1.535 17.012 ( 0.000 0.112 0.000) 0.112 17.251 ( 0.000 3.612 0.000) 3.612 17.415 ( 0.000 -1.004 0.000) 1.004 17.496 ( 0.000 2.289 0.000) 2.289 17.704 ( 0.000 -4.142 0.000) 4.142 18.013 ( 0.000 3.300 0.000) 3.300 18.114 ( 0.000 -0.174 0.000) 0.174 ======================= Grid point 19 (12/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 6.393 24.022 2.736) 25.008 1.346 ( 8.665 28.405 -0.345) 29.699 1.990 ( 13.690 24.634 13.639) 31.309 2.408 ( 3.026 2.059 -10.352) 10.980 2.556 ( -0.531 -6.276 -1.460) 6.465 2.661 ( -4.794 -0.588 5.794) 7.543 2.762 ( 2.986 1.719 -6.807) 7.629 2.780 ( 0.939 -4.101 2.540) 4.915 3.098 ( 1.710 0.253 -6.897) 7.110 3.359 ( -6.008 -8.282 3.940) 10.964 3.409 ( 0.270 -4.766 -2.972) 5.624 3.478 ( -7.217 -12.053 -0.680) 14.065 3.577 ( -0.152 -3.864 -0.653) 3.922 3.698 ( -1.568 -1.006 6.675) 6.930 3.830 ( -7.145 -7.688 3.537) 11.075 4.013 ( -5.447 -6.537 3.762) 9.304 4.141 ( -3.736 4.524 0.048) 5.868 4.199 ( -8.900 -5.111 4.047) 11.032 4.345 ( 2.704 1.150 -1.336) 3.228 4.573 ( -4.301 4.701 -2.688) 6.916 4.681 ( -4.515 4.325 -5.567) 8.372 4.873 ( 0.227 1.094 1.588) 1.942 4.969 ( 5.124 -0.643 -2.146) 5.592 5.075 ( 6.044 5.385 -3.075) 8.659 5.234 ( 5.439 1.372 2.901) 6.316 5.344 ( 2.279 -0.938 0.425) 2.501 5.530 ( -3.703 -1.577 3.658) 5.439 5.676 ( 8.969 -4.194 -5.078) 11.128 5.750 ( 3.783 -3.286 0.566) 5.043 5.804 ( 3.564 -2.820 1.343) 4.739 6.018 ( 2.356 6.937 3.207) 7.997 6.086 ( 1.083 7.240 -1.796) 7.538 6.349 ( 0.157 -0.993 -1.656) 1.938 6.458 ( -1.598 -6.088 1.039) 6.380 6.634 ( 0.084 4.299 -0.056) 4.300 6.728 ( -2.713 4.549 -0.536) 5.324 6.859 ( 5.540 1.258 4.088) 6.999 6.963 ( 7.912 -2.302 -1.507) 8.376 7.219 ( 0.858 2.043 -1.272) 2.555 7.478 ( -0.030 -0.707 -0.650) 0.961 7.640 ( 0.391 -0.923 0.711) 1.229 7.690 ( 0.865 -0.897 1.915) 2.284 7.937 ( -1.359 -2.637 -1.074) 3.155 7.975 ( -2.692 -3.812 -1.508) 4.904 8.408 ( 0.514 4.960 1.859) 5.322 8.885 ( -6.908 -6.284 -5.874) 11.032 11.258 ( -0.469 0.787 0.803) 1.218 11.300 ( -0.240 -0.043 0.752) 0.790 13.031 ( -1.266 1.130 -0.533) 1.778 13.109 ( -1.518 -1.434 1.093) 2.357 16.393 ( 0.496 -1.118 -0.129) 1.230 16.405 ( 1.455 -1.230 0.272) 1.925 16.957 ( 0.351 1.783 -0.416) 1.864 17.062 ( 4.901 -1.930 -1.185) 5.398 17.274 ( 2.997 3.362 -0.269) 4.511 17.438 ( 2.385 -0.924 0.252) 2.571 17.495 ( 0.764 2.495 -1.356) 2.941 17.695 ( -0.231 -3.636 -1.088) 3.803 17.974 ( -4.244 3.911 0.279) 5.778 18.090 ( -3.821 -0.397 2.481) 4.573 ======================= Grid point 20 (13/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 11.372 15.850 10.690) 22.245 1.557 ( 12.855 22.135 3.540) 25.841 2.257 ( 0.536 6.664 -13.227) 14.821 2.390 ( 12.795 -1.369 4.318) 13.573 2.543 ( 2.367 0.311 -4.791) 5.353 2.604 ( -6.496 -2.701 4.003) 8.094 2.763 ( 3.615 1.583 -2.194) 4.515 2.867 ( 2.130 0.517 4.612) 5.107 3.058 ( 3.125 -3.327 -5.521) 7.163 3.235 ( -11.848 -3.766 4.462) 13.209 3.279 ( -5.711 -5.796 -3.293) 8.778 3.424 ( -6.030 -3.851 0.461) 7.170 3.559 ( -0.161 -2.860 -1.350) 3.167 3.671 ( -4.270 -0.897 3.313) 5.478 3.844 ( -0.845 -6.159 7.509) 9.749 4.003 ( -1.955 -5.564 3.403) 6.809 4.086 ( -6.292 -3.319 2.583) 7.568 4.148 ( -0.831 -6.426 5.592) 8.559 4.275 ( -7.589 3.213 -1.941) 8.467 4.457 ( -3.779 3.658 -1.916) 5.598 4.559 ( -2.957 3.293 -5.780) 7.280 4.878 ( 0.588 3.165 -1.822) 3.699 4.976 ( 2.461 -2.264 -5.580) 6.505 5.155 ( 4.081 6.766 0.649) 7.928 5.331 ( 2.840 3.611 -1.910) 4.975 5.397 ( 4.369 2.239 -3.674) 6.132 5.517 ( 0.920 -2.957 1.973) 3.672 5.738 ( 4.796 -1.656 -4.574) 6.832 5.831 ( 1.384 -1.558 2.992) 3.646 5.872 ( 3.118 0.732 1.175) 3.411 6.063 ( 2.061 4.562 -1.246) 5.159 6.168 ( 4.494 4.937 4.547) 8.078 6.360 ( 1.909 -3.501 1.080) 4.132 6.454 ( -0.223 -4.886 1.527) 5.124 6.664 ( 2.038 3.808 -0.779) 4.389 6.696 ( 1.579 4.307 -0.332) 4.599 6.998 ( 3.857 1.124 3.949) 5.633 7.070 ( 5.467 -2.045 -1.000) 5.922 7.229 ( 3.345 1.766 -2.776) 4.692 7.470 ( 0.189 -1.547 -0.470) 1.628 7.660 ( 0.848 -0.422 1.134) 1.477 7.734 ( 1.233 -2.312 2.070) 3.339 7.887 ( -2.879 -2.688 -1.233) 4.127 7.894 ( -3.679 -3.390 -2.236) 5.479 8.430 ( -0.507 2.242 0.971) 2.495 8.693 ( -6.632 -3.080 -4.574) 8.625 11.255 ( -0.940 1.011 0.768) 1.580 11.302 ( -0.710 -0.029 0.946) 1.183 13.006 ( -1.286 1.291 -0.020) 1.822 13.082 ( -2.336 -0.734 0.198) 2.457 16.400 ( 0.762 -0.519 -0.553) 1.074 16.440 ( 1.866 -1.588 0.457) 2.492 16.960 ( 0.784 1.995 -0.940) 2.341 17.116 ( 3.238 -2.996 -1.582) 4.687 17.337 ( 4.784 2.534 -1.831) 5.714 17.485 ( 0.560 2.907 0.397) 2.987 17.500 ( 3.311 -0.728 -1.133) 3.574 17.676 ( 0.365 -2.216 -1.881) 2.930 17.905 ( -4.851 3.457 2.582) 6.492 18.054 ( -4.427 -0.974 3.593) 5.784 ======================= Grid point 21 (14/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 8.514 11.329 11.429) 18.206 1.836 ( 12.690 10.684 4.701) 17.242 2.114 ( 2.456 8.342 -10.627) 13.732 2.439 ( -2.715 -1.861 -6.328) 7.133 2.513 ( 3.141 -10.044 -0.970) 10.568 2.687 ( 3.761 0.373 3.290) 5.011 2.783 ( 1.335 -2.029 -2.108) 3.216 2.935 ( -0.316 3.279 3.520) 4.821 3.083 ( 0.886 -7.573 1.555) 7.782 3.121 ( -1.973 -1.922 -6.233) 6.814 3.138 ( -10.972 0.706 5.473) 12.282 3.289 ( -6.699 -3.256 0.778) 7.489 3.523 ( -0.764 -2.210 -3.755) 4.423 3.704 ( -0.119 1.169 4.619) 4.766 3.882 ( -2.845 -5.795 3.813) 7.498 3.990 ( -5.246 -5.365 -1.758) 7.707 4.032 ( -0.551 -7.148 3.875) 8.150 4.161 ( -0.310 7.493 0.307) 7.505 4.221 ( 0.724 -6.514 2.668) 7.077 4.411 ( -0.326 1.934 1.810) 2.669 4.461 ( -3.158 2.889 -1.625) 4.578 4.832 ( -2.502 -1.301 -2.991) 4.111 4.984 ( 5.238 2.476 -4.321) 7.228 5.183 ( -3.173 1.814 0.905) 3.766 5.298 ( 1.251 8.786 -3.057) 9.386 5.417 ( 3.997 3.840 -6.940) 8.881 5.566 ( 1.619 2.595 0.004) 3.058 5.764 ( 1.406 -2.528 -0.257) 2.904 5.861 ( 1.273 -1.099 -0.808) 1.866 5.923 ( 0.293 6.684 1.795) 6.927 6.101 ( 3.126 -1.765 0.474) 3.621 6.278 ( 3.779 6.624 1.989) 7.881 6.419 ( 1.707 -4.687 2.477) 5.569 6.471 ( -0.450 -1.984 1.223) 2.374 6.686 ( 3.249 2.710 -1.659) 4.544 6.780 ( 4.915 0.707 3.065) 5.835 7.045 ( -1.380 1.886 1.384) 2.716 7.134 ( 2.963 -1.191 -1.147) 3.393 7.265 ( 4.202 0.887 -2.744) 5.097 7.478 ( 0.899 -2.106 -0.077) 2.291 7.695 ( 1.065 -1.122 1.528) 2.175 7.773 ( 0.528 -2.425 1.239) 2.774 7.808 ( -3.139 -3.205 -1.031) 4.603 7.826 ( -2.155 -2.552 -1.475) 3.651 8.397 ( -2.300 2.539 -2.151) 4.045 8.588 ( -2.796 -3.075 0.348) 4.171 11.244 ( -0.988 1.115 0.355) 1.532 11.298 ( -0.778 -0.275 0.787) 1.140 12.987 ( -0.993 1.056 0.078) 1.452 13.041 ( -2.036 -0.137 -0.404) 2.080 16.405 ( 0.591 0.143 -0.627) 0.874 16.472 ( 1.263 -1.897 0.184) 2.286 16.960 ( 0.610 2.153 -1.022) 2.460 17.144 ( 2.062 -3.385 -1.205) 4.143 17.361 ( 1.025 2.027 -2.775) 3.587 17.494 ( 1.342 3.137 -1.042) 3.568 17.552 ( 2.308 -0.908 0.764) 2.595 17.677 ( 1.818 0.885 -0.997) 2.255 17.880 ( -2.366 1.047 3.454) 4.316 18.023 ( -3.697 -1.077 3.024) 4.896 ======================= Grid point 22 (15/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.432 5.463 0.334) 5.490 2.060 ( 7.411 3.931 1.858) 8.592 2.114 ( 0.346 7.249 0.431) 7.270 2.425 ( 6.265 3.419 0.015) 7.137 2.563 ( 2.990 -6.435 0.328) 7.103 2.689 ( -7.589 -0.242 -0.169) 7.595 2.764 ( 2.614 -3.523 -2.854) 5.234 2.937 ( -1.455 -0.537 1.458) 2.128 2.997 ( -4.153 -0.560 -2.136) 4.704 3.035 ( -4.524 0.787 2.012) 5.014 3.138 ( 2.059 -4.948 -0.063) 5.359 3.265 ( -0.209 -1.406 2.576) 2.942 3.451 ( -1.741 -2.657 -3.263) 4.554 3.712 ( -1.029 -9.606 -0.223) 9.663 3.852 ( -3.402 4.979 1.628) 6.246 3.917 ( 0.331 -5.575 -1.857) 5.886 4.057 ( -0.798 -10.324 2.137) 10.573 4.226 ( 3.319 4.633 0.907) 5.771 4.250 ( 0.924 -2.714 0.287) 2.881 4.413 ( -1.977 4.112 1.399) 4.773 4.463 ( 1.338 2.165 2.071) 3.281 4.757 ( -1.877 -4.131 -1.904) 4.920 5.029 ( 4.386 2.314 -2.752) 5.672 5.108 ( -4.567 -1.160 0.613) 4.752 5.311 ( 1.288 11.785 -0.382) 11.861 5.395 ( 1.161 5.842 -3.318) 6.818 5.569 ( -0.296 7.460 -0.243) 7.470 5.771 ( 0.091 -2.500 -0.269) 2.516 5.869 ( 0.642 -2.856 -0.377) 2.951 5.928 ( -0.474 9.103 0.073) 9.115 6.168 ( 2.180 -5.218 1.406) 5.827 6.332 ( 1.284 7.604 -0.342) 7.720 6.459 ( -0.469 -1.673 2.185) 2.792 6.473 ( 0.865 -3.503 -0.725) 3.680 6.721 ( 1.664 2.150 -0.400) 2.748 6.894 ( 2.808 -0.987 2.690) 4.011 7.032 ( -0.467 1.616 0.417) 1.733 7.128 ( -0.560 -0.095 -1.932) 2.014 7.298 ( 1.778 0.239 -0.865) 1.991 7.491 ( 0.591 -2.307 -0.161) 2.387 7.720 ( 0.119 -1.526 1.019) 1.839 7.746 ( -1.685 -1.471 -0.318) 2.259 7.774 ( -0.711 -2.187 -0.596) 2.376 7.821 ( 0.833 -4.080 0.311) 4.176 8.339 ( -1.222 3.315 -1.211) 3.735 8.572 ( -0.613 -3.393 0.760) 3.531 11.233 ( -0.444 1.081 0.069) 1.171 11.295 ( -0.322 -0.560 0.309) 0.716 12.975 ( -0.370 0.857 0.036) 0.934 13.011 ( -0.827 0.182 -0.270) 0.889 16.406 ( 0.222 0.554 -0.275) 0.657 16.487 ( 0.395 -2.023 0.005) 2.061 16.958 ( 0.210 2.281 -0.433) 2.331 17.160 ( 0.898 -3.851 -0.460) 3.981 17.336 ( -0.466 2.202 -1.091) 2.501 17.497 ( 0.378 1.501 -0.747) 1.718 17.592 ( 1.225 0.059 0.347) 1.275 17.699 ( 0.826 4.016 0.058) 4.101 17.892 ( -0.107 -1.386 1.376) 1.956 18.000 ( -1.740 -0.885 1.225) 2.304 ======================= Grid point 27 (16/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.000 23.710 0.000) 23.710 1.859 ( 0.000 27.088 0.000) 27.088 2.009 ( 0.000 -13.153 0.000) 13.153 2.300 ( 0.000 -13.221 0.000) 13.221 2.574 ( 0.000 6.778 0.000) 6.778 2.669 ( 0.000 0.964 0.000) 0.964 2.783 ( 0.000 8.617 0.000) 8.617 2.862 ( 0.000 1.228 0.000) 1.228 3.108 ( 0.000 -4.586 0.000) 4.586 3.209 ( 0.000 2.335 0.000) 2.335 3.223 ( 0.000 -14.138 0.000) 14.138 3.311 ( 0.000 -6.769 0.000) 6.769 3.576 ( 0.000 1.480 0.000) 1.480 3.636 ( 0.000 -3.869 0.000) 3.869 3.834 ( 0.000 1.825 0.000) 1.825 3.927 ( 0.000 -6.573 0.000) 6.573 4.253 ( 0.000 -0.370 0.000) 0.370 4.259 ( 0.000 -0.780 0.000) 0.780 4.383 ( 0.000 9.336 0.000) 9.336 4.554 ( 0.000 -6.984 0.000) 6.984 4.869 ( 0.000 3.150 0.000) 3.150 4.901 ( 0.000 0.207 0.000) 0.207 4.984 ( 0.000 4.160 0.000) 4.160 5.037 ( 0.000 0.499 0.000) 0.499 5.215 ( 0.000 3.288 0.000) 3.288 5.283 ( 0.000 -3.508 0.000) 3.508 5.478 ( 0.000 -0.257 0.000) 0.257 5.551 ( 0.000 -5.993 0.000) 5.993 5.648 ( 0.000 -0.123 0.000) 0.123 5.670 ( 0.000 -2.345 0.000) 2.345 6.150 ( 0.000 8.692 0.000) 8.692 6.245 ( 0.000 5.904 0.000) 5.904 6.320 ( 0.000 -8.072 0.000) 8.072 6.336 ( 0.000 -3.098 0.000) 3.098 6.739 ( 0.000 3.069 0.000) 3.069 6.770 ( 0.000 1.620 0.000) 1.620 6.837 ( 0.000 -0.847 0.000) 0.847 6.849 ( 0.000 0.042 0.000) 0.042 7.309 ( 0.000 6.438 0.000) 6.438 7.434 ( 0.000 -5.076 0.000) 5.076 7.620 ( 0.000 1.502 0.000) 1.502 7.662 ( 0.000 -1.787 0.000) 1.787 7.919 ( 0.000 -0.565 0.000) 0.565 7.940 ( 0.000 -2.554 0.000) 2.554 8.562 ( 0.000 10.137 0.000) 10.137 8.780 ( 0.000 -11.428 0.000) 11.428 11.273 ( 0.000 0.913 0.000) 0.913 11.289 ( 0.000 -0.638 0.000) 0.638 13.064 ( 0.000 0.765 0.000) 0.765 13.083 ( 0.000 -1.226 0.000) 1.226 16.370 ( 0.000 -0.492 0.000) 0.492 16.371 ( 0.000 -0.585 0.000) 0.585 16.988 ( 0.000 1.289 0.000) 1.289 17.007 ( 0.000 -0.621 0.000) 0.621 17.323 ( 0.000 3.451 0.000) 3.451 17.382 ( 0.000 -2.373 0.000) 2.373 17.552 ( 0.000 3.301 0.000) 3.301 17.624 ( 0.000 -3.877 0.000) 3.877 18.069 ( 0.000 2.313 0.000) 2.313 18.103 ( 0.000 -1.074 0.000) 1.074 ======================= Grid point 28 (17/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 3.393 22.865 0.186) 23.116 1.886 ( 3.145 23.935 0.661) 24.150 2.051 ( 6.227 -14.089 -2.445) 15.596 2.334 ( 4.151 -15.239 -2.744) 16.030 2.585 ( 1.429 7.419 0.327) 7.562 2.656 ( -4.166 0.721 -3.744) 5.647 2.768 ( 2.315 5.828 1.540) 6.458 2.832 ( 1.844 1.750 -6.858) 7.314 3.129 ( 0.435 -0.053 -1.560) 1.620 3.178 ( -6.380 -8.963 5.471) 12.287 3.231 ( 1.090 -1.289 0.969) 1.947 3.339 ( 0.251 -6.192 3.031) 6.899 3.564 ( -2.204 1.344 0.066) 2.582 3.634 ( -3.202 -5.276 1.581) 6.371 3.791 ( -4.166 3.333 5.295) 7.516 3.889 ( -3.193 -5.894 4.738) 8.209 4.138 ( -11.043 -0.091 1.191) 11.108 4.164 ( -10.527 -1.938 1.556) 10.816 4.453 ( 5.212 8.289 -2.029) 10.000 4.595 ( 2.919 -4.077 -3.258) 5.980 4.763 ( -6.332 4.403 -4.545) 8.952 4.842 ( -2.521 -3.344 -2.259) 4.758 5.011 ( 2.551 5.546 -0.997) 6.186 5.120 ( 4.028 -2.913 -0.349) 4.983 5.271 ( 5.296 2.116 3.019) 6.453 5.314 ( 3.848 -2.108 3.881) 5.858 5.514 ( 1.491 1.804 -1.798) 2.951 5.588 ( 7.890 -4.449 -5.016) 10.354 5.700 ( 4.125 -0.298 1.696) 4.470 5.738 ( 4.746 -3.446 3.785) 6.980 6.164 ( 0.533 7.429 2.362) 7.814 6.215 ( -0.485 5.684 -3.756) 6.830 6.300 ( 0.611 -4.399 -2.167) 4.942 6.331 ( -0.842 -6.097 0.789) 6.206 6.728 ( -0.323 4.154 0.855) 4.253 6.775 ( -1.490 -0.235 1.090) 1.861 6.892 ( 5.476 1.900 2.169) 6.189 6.927 ( 6.428 -1.572 0.073) 6.618 7.310 ( 0.371 6.497 -0.450) 6.523 7.432 ( -0.127 -4.673 -0.417) 4.693 7.630 ( 0.971 0.810 0.293) 1.298 7.664 ( 0.293 -1.869 0.135) 1.896 7.897 ( -1.848 -0.870 -0.887) 2.227 7.912 ( -2.388 -2.245 -1.145) 3.472 8.543 ( -1.749 8.295 -0.505) 8.492 8.722 ( -4.010 -9.306 -3.088) 10.593 11.276 ( -0.339 0.960 0.814) 1.304 11.293 ( -0.229 -0.663 0.780) 1.049 13.053 ( -0.984 1.167 -0.032) 1.526 13.079 ( -0.901 -1.443 0.465) 1.763 16.378 ( 0.896 -0.233 0.038) 0.926 16.384 ( 1.246 -0.772 0.151) 1.474 16.994 ( 0.950 1.854 -0.411) 2.123 17.028 ( 2.315 -1.638 -0.532) 2.885 17.343 ( 2.498 3.416 -0.196) 4.236 17.403 ( 2.518 -2.524 -0.098) 3.567 17.554 ( 0.452 3.320 -0.518) 3.390 17.623 ( 0.179 -3.602 -0.456) 3.636 18.039 ( -3.666 2.588 0.537) 4.519 18.076 ( -3.462 -1.205 1.116) 3.832 ======================= Grid point 29 (18/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 7.482 18.406 4.229) 20.314 1.973 ( 3.281 14.487 3.161) 15.186 2.158 ( 9.186 -10.946 -2.185) 14.456 2.327 ( 0.656 -6.592 -6.747) 9.456 2.500 ( -3.991 2.057 -6.094) 7.569 2.620 ( 3.196 -3.104 -2.542) 5.130 2.785 ( 3.038 1.407 -6.425) 7.245 2.840 ( -0.365 -3.521 4.429) 5.670 3.081 ( -3.687 4.904 2.318) 6.559 3.167 ( -0.611 -1.502 0.415) 1.674 3.229 ( -4.286 0.209 1.921) 4.701 3.322 ( -4.419 -5.750 -0.862) 7.303 3.533 ( -0.689 0.791 -0.095) 1.053 3.599 ( -1.175 -5.503 2.061) 5.993 3.858 ( -0.186 6.452 9.536) 11.515 3.945 ( -4.151 -0.130 3.495) 5.428 3.984 ( -8.111 -4.602 4.749) 10.465 4.028 ( -3.892 -6.663 5.871) 9.696 4.412 ( -6.101 7.671 -3.692) 10.474 4.511 ( -5.188 -0.943 -4.212) 6.749 4.632 ( -1.663 6.038 -4.566) 7.750 4.791 ( 0.385 -8.614 -3.977) 9.495 5.044 ( 2.760 6.935 -1.290) 7.574 5.174 ( 0.921 -4.576 1.421) 4.880 5.406 ( 8.260 2.120 -1.984) 8.755 5.454 ( 5.817 -2.558 -2.254) 6.743 5.497 ( 3.405 8.126 -0.958) 8.863 5.654 ( 5.394 -6.646 -3.368) 9.199 5.806 ( 2.688 0.796 3.736) 4.671 5.852 ( 3.609 -2.437 2.245) 4.899 6.169 ( 0.457 5.655 -2.900) 6.372 6.245 ( 3.004 1.520 5.281) 6.263 6.298 ( 1.802 -1.751 -1.922) 3.163 6.355 ( 1.501 -4.684 3.091) 5.809 6.743 ( 1.302 3.240 -0.219) 3.498 6.764 ( 0.576 1.368 -0.940) 1.757 7.018 ( 4.824 0.903 2.674) 5.589 7.038 ( 5.195 -1.226 0.666) 5.379 7.311 ( 1.025 5.977 -1.177) 6.177 7.419 ( -0.264 -4.031 -0.839) 4.126 7.656 ( 1.476 0.220 0.239) 1.511 7.681 ( 1.422 -2.381 0.357) 2.796 7.842 ( -3.522 -1.422 -0.956) 3.916 7.843 ( -3.112 -1.519 -1.420) 3.743 8.500 ( -2.333 4.671 -0.448) 5.241 8.604 ( -4.731 -5.391 -2.843) 7.715 11.276 ( -0.797 1.068 0.812) 1.561 11.294 ( -0.726 -0.705 0.827) 1.307 13.033 ( -1.371 1.407 0.026) 1.965 13.060 ( -1.627 -1.333 0.117) 2.107 16.397 ( 1.245 0.295 -0.162) 1.289 16.412 ( 1.619 -1.165 0.132) 1.999 17.005 ( 1.141 2.547 -0.866) 2.923 17.058 ( 2.068 -2.801 -1.032) 3.631 17.395 ( 3.724 3.183 -1.147) 5.031 17.457 ( 3.552 -2.827 -0.653) 4.586 17.556 ( 0.815 3.574 -0.445) 3.693 17.623 ( 0.897 -3.091 -0.563) 3.268 17.975 ( -4.804 3.247 1.958) 6.120 18.027 ( -4.417 -1.917 2.568) 5.457 ======================= Grid point 30 (19/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 6.009 10.873 6.577) 14.057 2.019 ( 0.270 6.201 -0.764) 6.253 2.234 ( -2.011 -1.704 -4.523) 5.235 2.292 ( 7.038 -10.506 0.428) 12.653 2.443 ( 5.473 9.246 -3.045) 11.168 2.645 ( 4.058 -6.411 -4.024) 8.588 2.780 ( 0.237 2.058 -0.317) 2.095 2.878 ( -1.984 -7.891 6.210) 10.236 3.060 ( -2.490 4.401 1.946) 5.419 3.127 ( -1.055 0.014 -5.041) 5.150 3.151 ( -6.776 1.823 2.569) 7.473 3.228 ( -1.511 -3.212 -3.485) 4.974 3.513 ( -1.734 1.415 -0.901) 2.412 3.594 ( -2.234 -6.981 -0.368) 7.339 3.862 ( -6.918 -0.997 4.766) 8.460 3.884 ( -3.887 -3.585 4.047) 6.659 3.997 ( 0.028 4.538 2.575) 5.217 4.108 ( 0.407 -5.506 2.095) 5.905 4.308 ( -0.210 6.560 0.951) 6.632 4.408 ( -0.673 -2.955 0.540) 3.079 4.579 ( -1.631 7.999 -1.579) 8.315 4.734 ( -2.031 -7.122 -3.512) 8.196 5.064 ( 1.516 5.102 -1.744) 5.601 5.159 ( -3.343 -3.713 0.013) 4.996 5.453 ( 5.413 3.766 -7.011) 9.625 5.476 ( 6.007 2.592 -6.461) 9.195 5.621 ( 4.686 3.509 3.105) 6.626 5.720 ( 3.030 -3.394 1.339) 4.743 5.840 ( -0.941 1.502 0.440) 1.826 5.925 ( 2.347 -4.576 1.939) 5.496 6.152 ( 0.279 6.423 -1.774) 6.670 6.291 ( 1.117 -6.437 -0.839) 6.587 6.383 ( 3.121 2.844 5.009) 6.551 6.431 ( 1.558 -1.943 3.612) 4.387 6.764 ( 2.889 3.369 -1.533) 4.695 6.796 ( 3.482 0.083 0.541) 3.524 7.081 ( 0.279 1.702 0.629) 1.836 7.111 ( 2.004 -1.287 0.550) 2.444 7.321 ( 2.086 4.610 -1.724) 5.346 7.414 ( 0.792 -4.144 -0.770) 4.289 7.683 ( 1.264 0.195 0.238) 1.301 7.714 ( 1.521 -2.874 0.385) 3.274 7.770 ( -2.915 -0.515 -0.703) 3.042 7.783 ( -2.579 -1.642 -0.489) 3.096 8.452 ( -2.344 3.093 -0.964) 3.999 8.519 ( -2.743 -3.623 -0.223) 4.550 11.267 ( -0.931 1.152 0.353) 1.523 11.288 ( -0.878 -0.830 0.489) 1.303 13.010 ( -1.209 1.195 -0.074) 1.701 13.031 ( -1.561 -0.872 -0.237) 1.804 16.414 ( 0.948 0.814 -0.293) 1.283 16.437 ( 1.167 -1.524 -0.059) 1.921 17.011 ( 0.778 2.981 -0.849) 3.196 17.075 ( 1.306 -3.410 -0.896) 3.759 17.415 ( 0.904 3.216 -2.430) 4.131 17.480 ( 1.009 -3.138 -2.150) 3.936 17.592 ( 2.878 3.752 0.861) 4.806 17.658 ( 3.150 -2.596 0.503) 4.113 17.930 ( -3.574 3.361 2.629) 5.566 17.990 ( -3.570 -2.381 2.786) 5.116 ======================= Grid point 31 (20/112) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -1.578 4.926 -0.901) 5.250 2.063 ( -0.092 -4.869 -0.902) 4.953 2.232 ( 2.566 7.632 2.160) 8.336 2.403 ( 3.389 -8.769 1.264) 9.486 2.557 ( 7.721 8.407 -0.981) 11.456 2.666 ( 2.190 -2.807 -2.355) 4.268 2.764 ( -2.972 3.402 2.047) 4.960 2.878 ( -4.873 -5.795 3.656) 8.408 3.036 ( -4.947 1.107 5.497) 7.478 3.048 ( 1.288 0.210 -6.788) 6.912 3.099 ( -0.447 4.075 -0.275) 4.109 3.228 ( 3.946 -4.530 -1.259) 6.138 3.447 ( -3.531 1.863 -1.507) 4.268 3.519 ( -3.094 -6.816 -1.519) 7.638 3.826 ( -1.823 -1.598 1.520) 2.861 3.881 ( -1.213 -6.584 2.049) 7.002 3.974 ( -1.247 6.010 -0.621) 6.169 4.097 ( -0.250 -6.516 -1.092) 6.612 4.402 ( 4.666 6.394 3.057) 8.485 4.480 ( 2.605 -0.890 3.334) 4.324 4.527 ( -2.486 6.088 -0.482) 6.593 4.648 ( -2.990 -5.974 -2.901) 7.283 5.065 ( 1.510 1.657 -1.689) 2.807 5.095 ( -3.088 -1.147 -0.177) 3.299 5.472 ( 3.162 4.144 -3.060) 6.045 5.501 ( 2.003 4.186 -1.434) 4.857 5.705 ( 1.981 1.037 1.337) 2.606 5.756 ( 0.385 1.851 0.079) 1.893 5.813 ( -1.345 2.166 -0.462) 2.591 5.978 ( 1.327 -7.934 0.984) 8.104 6.135 ( -0.260 7.293 -0.729) 7.334 6.301 ( 0.562 -7.770 -0.236) 7.794 6.459 ( 0.833 1.631 2.154) 2.827 6.471 ( 0.162 0.528 0.808) 0.978 6.805 ( 2.209 4.556 -0.210) 5.068 6.871 ( 2.725 -1.973 1.093) 3.537 7.071 ( -0.810 2.370 -0.155) 2.509 7.115 ( -0.736 -1.613 -0.395) 1.817 7.336 ( 1.110 3.721 -0.819) 3.969 7.421 ( 0.649 -4.274 -0.493) 4.351 7.699 ( 0.191 -0.116 0.298) 0.372 7.721 ( -0.824 -1.572 0.056) 1.776 7.744 ( -0.150 -0.596 -0.109) 0.625 7.755 ( -0.050 -1.970 -0.000) 1.971 8.411 ( -1.043 3.940 -0.451) 4.100 8.494 ( -0.772 -4.292 0.349) 4.374 11.257 ( -0.428 1.225 0.055) 1.298 11.279 ( -0.390 -1.010 0.145) 1.092 12.993 ( -0.480 0.913 -0.056) 1.033 13.008 ( -0.651 -0.485 -0.167) 0.828 16.422 ( 0.342 1.085 -0.150) 1.148 16.450 ( 0.392 -1.670 -0.077) 1.717 17.013 ( 0.278 3.249 -0.331) 3.278 17.084 ( 0.491 -3.776 -0.324) 3.821 17.394 ( -0.195 3.478 -1.110) 3.656 17.465 ( -0.030 -3.364 -1.052) 3.525 17.645 ( 1.694 3.939 0.397) 4.307 17.714 ( 1.901 -2.360 0.334) 3.048 17.911 ( -1.374 2.955 1.201) 3.473 17.968 ( -1.558 -2.359 1.217) 3.078 ======================= Grid point 63 (21/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 4.471 0.000 29.821) 30.155 0.617 ( -0.187 0.000 32.937) 32.937 0.905 ( -6.641 0.000 48.041) 48.497 2.193 ( -1.864 0.000 -12.982) 13.115 2.547 ( 2.641 0.000 -14.850) 15.083 2.600 ( -1.470 0.000 10.099) 10.205 2.960 ( 4.691 0.000 -3.677) 5.960 2.976 ( -7.911 0.000 6.068) 9.970 3.130 ( -0.091 0.000 -0.045) 0.101 3.424 ( 1.614 0.000 -7.001) 7.184 3.433 ( -2.618 0.000 -1.715) 3.130 3.692 ( -5.468 0.000 5.705) 7.902 3.802 ( -2.708 0.000 -6.006) 6.588 3.912 ( 17.690 0.000 -7.684) 19.287 4.115 ( 1.086 0.000 4.247) 4.384 4.204 ( -11.261 0.000 1.548) 11.367 4.281 ( -3.043 0.000 -2.451) 3.907 4.347 ( 1.191 0.000 1.839) 2.191 4.388 ( 4.200 0.000 0.641) 4.249 4.527 ( 0.099 0.000 -8.395) 8.396 4.645 ( 5.554 0.000 -1.180) 5.678 4.843 ( 1.872 0.000 -6.237) 6.511 4.884 ( -6.810 0.000 5.401) 8.692 5.035 ( 6.906 0.000 0.106) 6.907 5.136 ( 18.307 0.000 0.536) 18.315 5.271 ( -0.966 0.000 -6.578) 6.648 5.573 ( -1.934 0.000 7.978) 8.210 5.678 ( -0.626 0.000 0.848) 1.054 5.717 ( -8.798 0.000 2.186) 9.065 5.790 ( 1.310 0.000 1.828) 2.249 5.852 ( -0.091 0.000 -2.714) 2.716 6.056 ( -7.206 0.000 -1.521) 7.365 6.289 ( 2.907 0.000 2.047) 3.555 6.589 ( 2.286 0.000 -1.791) 2.904 6.632 ( -5.826 0.000 -2.856) 6.489 6.645 ( -1.401 0.000 -0.871) 1.650 6.807 ( 3.705 0.000 5.690) 6.790 6.991 ( -14.475 0.000 -0.108) 14.475 7.251 ( -2.564 0.000 2.315) 3.454 7.546 ( -0.668 0.000 -4.166) 4.219 7.685 ( -0.123 0.000 1.712) 1.717 7.708 ( -3.874 0.000 4.656) 6.057 7.995 ( 1.248 0.000 -2.599) 2.883 8.097 ( -0.207 0.000 -2.673) 2.681 8.414 ( 23.957 0.000 1.583) 24.010 8.569 ( -2.151 0.000 -1.122) 2.426 11.252 ( -0.511 0.000 1.120) 1.231 11.297 ( 0.436 0.000 0.366) 0.569 12.983 ( -0.140 0.000 0.805) 0.817 13.136 ( 5.893 0.000 -1.691) 6.131 16.420 ( 0.821 0.000 0.211) 0.847 16.433 ( -0.773 0.000 -0.017) 0.773 16.936 ( -1.085 0.000 1.757) 2.065 17.062 ( -14.763 0.000 2.246) 14.933 17.147 ( 1.520 0.000 -1.665) 2.255 17.344 ( 1.395 0.000 -2.254) 2.650 17.441 ( -0.340 0.000 1.399) 1.440 17.707 ( 1.877 0.000 -5.671) 5.973 17.945 ( -2.542 0.000 6.161) 6.665 18.275 ( -0.877 0.000 -1.797) 2.000 ======================= Grid point 64 (22/112) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.420 0.000 29.097) 29.100 1.069 ( 8.645 0.000 28.064) 29.365 1.660 ( 25.255 0.000 32.934) 41.503 2.005 ( 0.365 0.000 -17.218) 17.222 2.412 ( 4.483 0.000 -17.794) 18.350 2.706 ( 0.508 0.000 9.295) 9.309 2.853 ( -10.871 0.000 1.287) 10.947 2.994 ( 1.760 0.000 -1.434) 2.270 3.153 ( 1.636 0.000 1.931) 2.530 3.349 ( -0.620 0.000 -4.493) 4.535 3.395 ( 3.280 0.000 -6.218) 7.030 3.659 ( -4.278 0.000 -7.747) 8.849 3.695 ( -3.090 0.000 5.541) 6.344 3.952 ( -14.347 0.000 -1.179) 14.396 4.048 ( -12.728 0.000 -1.931) 12.874 4.127 ( 15.263 0.000 -4.348) 15.871 4.216 ( -1.393 0.000 4.518) 4.728 4.381 ( -3.464 0.000 -0.320) 3.479 4.388 ( -2.752 0.000 -5.595) 6.235 4.453 ( 1.843 0.000 1.381) 2.303 4.720 ( 1.597 0.000 -1.722) 2.348 4.775 ( -2.911 0.000 -4.725) 5.550 4.801 ( -3.907 0.000 1.699) 4.260 4.982 ( -5.556 0.000 5.693) 7.954 5.195 ( 1.144 0.000 -6.667) 6.765 5.449 ( 11.240 0.000 -4.792) 12.219 5.556 ( -4.293 0.000 4.091) 5.930 5.559 ( -8.796 0.000 5.404) 10.323 5.698 ( 0.315 0.000 -1.863) 1.889 5.826 ( 2.452 0.000 1.626) 2.942 5.888 ( 3.982 0.000 -2.041) 4.475 6.016 ( 1.310 0.000 4.388) 4.580 6.422 ( 5.574 0.000 5.596) 7.898 6.520 ( -2.919 0.000 -3.411) 4.489 6.615 ( 1.283 0.000 -2.080) 2.444 6.628 ( 3.548 0.000 0.290) 3.560 6.945 ( 4.594 0.000 5.324) 7.032 6.996 ( 6.742 0.000 -1.756) 6.967 7.218 ( -3.690 0.000 1.281) 3.906 7.492 ( -0.594 0.000 -2.371) 2.444 7.725 ( 1.749 0.000 2.702) 3.218 7.731 ( -1.520 0.000 5.045) 5.269 7.970 ( -0.655 0.000 -2.362) 2.452 8.033 ( -2.422 0.000 -3.712) 4.432 8.485 ( -4.120 0.000 -3.388) 5.334 8.635 ( 6.606 0.000 -2.874) 7.204 11.251 ( -1.056 0.000 1.097) 1.523 11.308 ( 0.089 0.000 0.678) 0.683 12.988 ( -0.628 0.000 1.061) 1.233 13.126 ( -1.481 0.000 -2.396) 2.817 16.418 ( -0.543 0.000 -0.604) 0.812 16.452 ( 2.095 0.000 0.639) 2.190 16.921 ( -1.629 0.000 1.287) 2.076 17.101 ( 7.364 0.000 -0.290) 7.370 17.155 ( 1.880 0.000 -1.852) 2.639 17.371 ( 3.840 0.000 -1.776) 4.231 17.459 ( 0.213 0.000 2.000) 2.011 17.666 ( 1.143 0.000 -5.354) 5.475 17.956 ( -4.105 0.000 6.077) 7.334 18.200 ( -5.011 0.000 0.751) 5.067 ======================= Grid point 65 (23/112) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 8.977 0.000 23.272) 24.943 1.499 ( 8.535 0.000 15.686) 17.857 1.838 ( 4.037 0.000 -12.980) 13.594 2.162 ( 8.566 0.000 -12.781) 15.386 2.506 ( 19.444 0.000 10.399) 22.050 2.701 ( -8.679 0.000 3.742) 9.451 2.817 ( 0.496 0.000 6.627) 6.646 2.982 ( -2.148 0.000 2.340) 3.177 3.201 ( 2.131 0.000 0.231) 2.144 3.339 ( 7.433 0.000 -10.085) 12.529 3.377 ( 0.306 0.000 -2.040) 2.062 3.468 ( -12.752 0.000 1.241) 12.812 3.693 ( -4.244 0.000 5.223) 6.730 3.768 ( -3.072 0.000 -2.604) 4.027 3.787 ( -15.192 0.000 1.200) 15.239 4.175 ( -9.583 0.000 -8.563) 12.852 4.239 ( -1.361 0.000 1.486) 2.015 4.307 ( -5.122 0.000 2.403) 5.658 4.342 ( 11.597 0.000 -1.847) 11.744 4.467 ( -2.350 0.000 -1.842) 2.986 4.638 ( -4.794 0.000 -4.788) 6.775 4.661 ( 3.620 0.000 -5.146) 6.292 4.876 ( 2.422 0.000 5.757) 6.245 4.973 ( -5.214 0.000 7.050) 8.769 5.143 ( 0.997 0.000 -5.794) 5.880 5.449 ( -9.418 0.000 4.462) 10.421 5.494 ( 3.034 0.000 -3.204) 4.413 5.581 ( -0.172 0.000 -0.689) 0.710 5.747 ( 7.538 0.000 -0.576) 7.560 5.879 ( 1.517 0.000 -1.990) 2.502 5.910 ( 1.571 0.000 0.412) 1.624 6.101 ( 3.263 0.000 2.066) 3.862 6.444 ( -0.981 0.000 -3.810) 3.934 6.519 ( 1.566 0.000 0.799) 1.758 6.711 ( 4.447 0.000 0.985) 4.555 6.717 ( 8.463 0.000 4.298) 9.492 7.065 ( -0.018 0.000 5.926) 5.926 7.075 ( 6.004 0.000 -4.859) 7.724 7.178 ( 0.416 0.000 -0.709) 0.822 7.467 ( 0.548 0.000 -2.125) 2.194 7.764 ( -0.726 0.000 4.169) 4.231 7.799 ( 2.218 0.000 3.451) 4.102 7.920 ( -2.583 0.000 -1.573) 3.024 7.946 ( -2.548 0.000 -3.060) 3.982 8.367 ( -3.992 0.000 -3.959) 5.623 8.666 ( 0.623 0.000 -0.853) 1.057 11.242 ( -1.349 0.000 0.897) 1.620 11.314 ( -0.269 0.000 0.520) 0.586 12.984 ( -1.108 0.000 0.897) 1.426 13.066 ( -2.180 0.000 -1.943) 2.920 16.403 ( -0.276 0.000 -0.682) 0.736 16.496 ( 2.075 0.000 0.376) 2.109 16.914 ( -0.769 0.000 0.966) 1.234 17.170 ( 2.751 0.000 -2.439) 3.676 17.218 ( 6.500 0.000 -0.434) 6.515 17.406 ( 1.423 0.000 -0.869) 1.667 17.493 ( 0.727 0.000 2.321) 2.433 17.631 ( 1.309 0.000 -4.000) 4.208 17.961 ( -2.962 0.000 5.449) 6.202 18.126 ( -4.487 0.000 0.274) 4.496 ======================= Grid point 66 (24/112) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 6.668 0.000 -9.613) 11.699 1.699 ( 11.315 0.000 18.775) 21.922 1.966 ( 5.890 0.000 9.351) 11.051 2.096 ( 9.247 0.000 -16.657) 19.052 2.638 ( -0.286 0.000 0.406) 0.496 2.759 ( -3.199 0.000 -1.572) 3.565 2.847 ( -1.190 0.000 1.371) 1.815 3.014 ( -2.171 0.000 6.364) 6.725 3.194 ( -5.443 0.000 -10.481) 11.810 3.266 ( 1.206 0.000 4.521) 4.680 3.375 ( 0.844 0.000 1.642) 1.846 3.443 ( 4.019 0.000 3.998) 5.669 3.574 ( -9.862 0.000 1.405) 9.962 3.729 ( -4.452 0.000 -1.972) 4.869 3.730 ( -2.314 0.000 10.131) 10.392 3.914 ( -4.641 0.000 -5.473) 7.176 4.182 ( -5.038 0.000 0.789) 5.100 4.299 ( 1.196 0.000 0.377) 1.254 4.358 ( 0.752 0.000 -8.988) 9.020 4.524 ( -3.378 0.000 -2.852) 4.421 4.524 ( 8.624 0.000 -1.930) 8.838 4.692 ( 4.946 0.000 -4.930) 6.984 4.964 ( -2.223 0.000 8.625) 8.907 4.965 ( -3.802 0.000 5.044) 6.316 5.103 ( 0.858 0.000 -2.996) 3.117 5.366 ( -7.013 0.000 6.144) 9.324 5.474 ( 0.284 0.000 -4.475) 4.484 5.566 ( -1.532 0.000 1.554) 2.183 5.849 ( 0.895 0.000 -4.303) 4.395 5.869 ( 5.930 0.000 -0.264) 5.936 5.947 ( 0.832 0.000 1.245) 1.498 6.176 ( 4.631 0.000 -0.766) 4.694 6.401 ( 0.666 0.000 -3.143) 3.213 6.558 ( 2.834 0.000 -0.277) 2.848 6.785 ( 3.654 0.000 -0.098) 3.655 6.920 ( 6.872 0.000 6.056) 9.160 7.059 ( -4.837 0.000 3.683) 6.079 7.075 ( 2.323 0.000 -6.936) 7.315 7.239 ( 4.252 0.000 0.784) 4.323 7.459 ( 1.308 0.000 -1.990) 2.382 7.803 ( -0.123 0.000 3.209) 3.212 7.841 ( -2.806 0.000 2.064) 3.483 7.850 ( -3.306 0.000 -1.228) 3.527 7.909 ( 2.041 0.000 -0.491) 2.099 8.278 ( -2.086 0.000 -1.822) 2.769 8.653 ( -0.907 0.000 -0.596) 1.085 11.227 ( -1.302 0.000 0.480) 1.388 11.310 ( -0.345 0.000 -0.237) 0.419 12.972 ( -1.150 0.000 0.466) 1.240 13.014 ( -1.457 0.000 -1.265) 1.930 16.396 ( -0.011 0.000 -0.011) 0.015 16.527 ( 1.270 0.000 -0.078) 1.272 16.918 ( -0.469 0.000 1.508) 1.579 17.194 ( 3.619 0.000 -2.540) 4.421 17.313 ( 4.263 0.000 0.989) 4.376 17.393 ( -2.356 0.000 0.449) 2.398 17.530 ( 0.562 0.000 1.555) 1.654 17.621 ( 1.635 0.000 -2.075) 2.642 17.976 ( -1.369 0.000 2.740) 3.063 18.053 ( -3.402 0.000 -0.951) 3.532 ======================= Grid point 67 (25/112) ======================= q-point: ( 0.44 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 8.560 0.000 0.905) 8.608 1.923 ( -0.657 0.000 2.278) 2.371 2.053 ( -2.802 0.000 -0.778) 2.908 2.233 ( 14.885 0.000 -1.007) 14.919 2.540 ( -10.082 0.000 -1.465) 10.188 2.691 ( 7.118 0.000 -4.188) 8.259 2.843 ( -1.653 0.000 0.908) 1.886 2.941 ( -3.215 0.000 -7.420) 8.086 3.078 ( -1.904 0.000 -0.693) 2.026 3.243 ( -13.270 0.000 12.873) 18.488 3.421 ( 6.294 0.000 -8.838) 10.850 3.483 ( -2.627 0.000 1.050) 2.829 3.548 ( -3.618 0.000 -3.981) 5.379 3.645 ( 6.242 0.000 10.364) 12.098 3.776 ( -6.476 0.000 6.070) 8.877 3.907 ( 0.690 0.000 0.837) 1.085 4.120 ( -3.704 0.000 1.592) 4.032 4.284 ( 4.996 0.000 -10.732) 11.838 4.349 ( 5.510 0.000 -1.403) 5.686 4.442 ( -4.193 0.000 -0.718) 4.254 4.587 ( 2.673 0.000 -4.195) 4.974 4.696 ( 4.356 0.000 -7.655) 8.808 4.961 ( -2.642 0.000 3.681) 4.532 5.034 ( 0.241 0.000 7.863) 7.867 5.081 ( -4.355 0.000 2.752) 5.152 5.360 ( -3.676 0.000 8.056) 8.855 5.435 ( 1.768 0.000 -3.334) 3.773 5.575 ( -1.530 0.000 4.545) 4.795 5.831 ( 2.421 0.000 -3.346) 4.130 5.928 ( 1.833 0.000 -1.078) 2.126 5.970 ( 0.167 0.000 1.490) 1.499 6.224 ( 2.921 0.000 -3.398) 4.481 6.389 ( 1.596 0.000 -2.408) 2.889 6.595 ( 1.433 0.000 -0.686) 1.588 6.838 ( 2.660 0.000 -0.606) 2.728 6.980 ( -1.495 0.000 -5.546) 5.744 7.019 ( -4.294 0.000 3.261) 5.392 7.102 ( 4.829 0.000 3.369) 5.888 7.303 ( 1.641 0.000 1.263) 2.071 7.464 ( 1.518 0.000 -1.557) 2.175 7.784 ( -2.726 0.000 0.524) 2.776 7.803 ( -2.347 0.000 0.932) 2.525 7.835 ( 0.468 0.000 0.777) 0.907 7.941 ( 0.751 0.000 -0.112) 0.759 8.261 ( 0.063 0.000 1.795) 1.796 8.627 ( -0.507 0.000 -1.474) 1.559 11.211 ( -0.747 0.000 0.010) 0.747 11.297 ( -0.133 0.000 -1.251) 1.258 12.960 ( -0.615 0.000 0.187) 0.643 12.991 ( -0.058 0.000 -0.465) 0.469 16.402 ( 0.079 0.000 1.036) 1.039 16.538 ( 0.450 0.000 -0.454) 0.639 16.933 ( -0.594 0.000 2.629) 2.696 17.238 ( 4.530 0.000 -1.982) 4.944 17.351 ( -3.526 0.000 1.634) 3.886 17.386 ( 1.471 0.000 3.084) 3.417 17.538 ( -0.555 0.000 -0.476) 0.731 17.636 ( 1.513 0.000 -0.118) 1.517 17.960 ( -1.599 0.000 -1.430) 2.145 17.994 ( -1.115 0.000 -2.272) 2.531 ======================= Grid point 68 (26/112) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -12.055 0.000 -2.831) 12.383 1.797 ( -18.693 0.000 2.655) 18.881 2.011 ( 7.139 0.000 6.418) 9.600 2.266 ( 5.503 0.000 -6.092) 8.209 2.567 ( -0.096 0.000 -0.403) 0.414 2.754 ( -1.142 0.000 -8.821) 8.895 2.837 ( 14.370 0.000 -0.728) 14.388 2.874 ( 0.162 0.000 -1.369) 1.379 3.050 ( 1.270 0.000 -3.215) 3.457 3.155 ( -12.475 0.000 6.655) 14.140 3.372 ( -0.148 0.000 -3.586) 3.589 3.472 ( -0.166 0.000 -0.840) 0.857 3.493 ( -0.830 0.000 0.952) 1.264 3.699 ( -5.070 0.000 4.667) 6.891 3.867 ( -3.195 0.000 6.230) 7.001 3.942 ( 9.534 0.000 5.000) 10.765 4.093 ( -0.931 0.000 1.044) 1.399 4.295 ( 9.342 0.000 -9.659) 13.438 4.346 ( -5.523 0.000 -1.564) 5.741 4.433 ( 6.338 0.000 -3.308) 7.149 4.536 ( -0.763 0.000 -5.967) 6.016 4.688 ( 4.670 0.000 -6.518) 8.018 4.957 ( -2.851 0.000 3.796) 4.747 5.018 ( -7.671 0.000 5.074) 9.197 5.150 ( 3.321 0.000 6.010) 6.866 5.405 ( -3.623 0.000 9.461) 10.131 5.476 ( 4.978 0.000 -0.352) 4.991 5.611 ( -0.933 0.000 4.526) 4.621 5.848 ( 2.686 0.000 -2.154) 3.443 5.912 ( -1.390 0.000 -1.889) 2.345 5.990 ( -0.647 0.000 2.658) 2.736 6.181 ( -2.097 0.000 -5.049) 5.468 6.398 ( 2.264 0.000 -1.600) 2.772 6.570 ( -1.374 0.000 -3.948) 4.181 6.841 ( -1.831 0.000 -0.623) 1.934 6.875 ( -3.907 0.000 -3.431) 5.199 7.002 ( -1.642 0.000 2.624) 3.095 7.205 ( 2.985 0.000 2.565) 3.936 7.318 ( -2.038 0.000 1.769) 2.698 7.466 ( 0.753 0.000 -1.636) 1.800 7.757 ( -1.734 0.000 -0.024) 1.734 7.794 ( -0.053 0.000 0.494) 0.497 7.856 ( 1.202 0.000 1.529) 1.945 7.930 ( -0.700 0.000 -0.754) 1.029 8.315 ( 1.943 0.000 4.259) 4.681 8.607 ( 1.102 0.000 -2.617) 2.840 11.204 ( 0.091 0.000 -0.171) 0.193 11.280 ( 0.351 0.000 -1.870) 1.903 12.957 ( 0.028 0.000 0.094) 0.098 13.000 ( 1.407 0.000 -0.252) 1.429 16.420 ( -0.088 0.000 1.772) 1.774 16.532 ( -0.322 0.000 -0.824) 0.885 16.955 ( -1.260 0.000 3.604) 3.818 17.267 ( 0.060 0.000 -2.324) 2.324 17.350 ( 1.749 0.000 2.899) 3.386 17.432 ( -1.997 0.000 5.038) 5.420 17.508 ( -0.891 0.000 -1.111) 1.424 17.670 ( 1.309 0.000 1.772) 2.202 17.889 ( -2.109 0.000 -4.797) 5.240 17.963 ( 1.658 0.000 -4.026) 4.354 ======================= Grid point 69 (27/112) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -20.841 0.000 -9.756) 23.012 1.426 ( -27.719 0.000 5.604) 28.280 2.266 ( -15.186 0.000 -15.768) 21.892 2.277 ( 3.104 0.000 15.937) 16.236 2.427 ( 5.964 0.000 -0.330) 5.974 2.661 ( -0.039 0.000 -5.499) 5.499 2.881 ( 2.422 0.000 -1.097) 2.659 2.946 ( -7.292 0.000 3.761) 8.205 3.050 ( 8.342 0.000 -9.378) 12.551 3.081 ( 3.702 0.000 2.090) 4.251 3.403 ( 1.786 0.000 1.758) 2.507 3.514 ( 7.399 0.000 1.538) 7.558 3.517 ( 1.180 0.000 2.033) 2.350 3.764 ( 2.633 0.000 8.289) 8.698 3.851 ( -0.994 0.000 2.101) 2.324 4.124 ( 3.371 0.000 0.971) 3.508 4.175 ( 7.855 0.000 2.861) 8.360 4.208 ( -5.876 0.000 -4.912) 7.659 4.343 ( 6.846 0.000 -6.185) 9.226 4.460 ( 0.540 0.000 -4.792) 4.822 4.483 ( 6.010 0.000 -6.588) 8.917 4.697 ( 3.320 0.000 -4.254) 5.396 4.953 ( -7.418 0.000 6.482) 9.851 4.958 ( -2.891 0.000 5.089) 5.853 5.275 ( 4.259 0.000 3.590) 5.570 5.445 ( -4.298 0.000 8.958) 9.935 5.563 ( 3.383 0.000 1.443) 3.678 5.626 ( -1.651 0.000 0.921) 1.891 5.847 ( -3.331 0.000 -1.521) 3.662 5.850 ( -0.023 0.000 -2.073) 2.073 6.009 ( -1.304 0.000 3.155) 3.414 6.050 ( -4.881 0.000 -6.029) 7.757 6.433 ( 3.376 0.000 -0.617) 3.432 6.467 ( -2.759 0.000 -6.640) 7.190 6.774 ( -4.708 0.000 -0.277) 4.716 6.779 ( -4.827 0.000 0.029) 4.827 6.998 ( -2.238 0.000 0.912) 2.417 7.259 ( -0.201 0.000 2.330) 2.338 7.284 ( -4.126 0.000 2.316) 4.731 7.457 ( 1.427 0.000 -2.597) 2.963 7.709 ( -3.428 0.000 0.055) 3.429 7.779 ( -2.034 0.000 -0.836) 2.199 7.917 ( 2.843 0.000 1.993) 3.472 7.944 ( 3.126 0.000 0.665) 3.196 8.415 ( 3.079 0.000 4.814) 5.714 8.605 ( 2.891 0.000 -3.904) 4.858 11.211 ( 0.664 0.000 0.058) 0.667 11.269 ( 0.910 0.000 -1.729) 1.954 12.961 ( 0.347 0.000 0.039) 0.349 13.026 ( 2.330 0.000 -1.118) 2.585 16.437 ( -0.421 0.000 1.843) 1.890 16.507 ( -1.238 0.000 -1.228) 1.744 16.967 ( -2.261 0.000 3.394) 4.078 17.220 ( -1.528 0.000 -2.363) 2.813 17.427 ( 2.030 0.000 2.373) 3.123 17.429 ( -2.106 0.000 1.930) 2.856 17.516 ( -2.388 0.000 7.335) 7.714 17.721 ( 1.903 0.000 1.739) 2.578 17.798 ( -1.152 0.000 -4.427) 4.574 17.947 ( 3.590 0.000 -6.908) 7.785 ======================= Grid point 70 (28/112) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -24.219 0.000 -5.297) 24.791 1.007 ( -29.498 0.000 6.088) 30.120 1.581 ( -38.452 0.000 -10.484) 39.856 2.423 ( -1.339 0.000 7.540) 7.658 2.577 ( -7.153 0.000 0.336) 7.160 2.610 ( 11.788 0.000 -2.376) 12.025 2.917 ( 4.145 0.000 -3.768) 5.602 2.935 ( -3.389 0.000 9.537) 10.121 3.102 ( -1.461 0.000 0.720) 1.629 3.187 ( 16.899 0.000 -4.081) 17.385 3.457 ( 2.863 0.000 -0.098) 2.865 3.575 ( 4.550 0.000 -0.212) 4.555 3.679 ( 4.910 0.000 3.308) 5.920 3.886 ( 1.806 0.000 1.391) 2.280 3.957 ( 7.540 0.000 9.186) 11.884 4.055 ( -2.243 0.000 -6.941) 7.294 4.219 ( 1.015 0.000 -4.305) 4.423 4.220 ( 5.468 0.000 0.255) 5.474 4.401 ( 4.437 0.000 -3.271) 5.512 4.471 ( 3.266 0.000 -9.540) 10.084 4.479 ( 4.974 0.000 -0.422) 4.992 4.689 ( 1.113 0.000 -4.114) 4.262 4.920 ( -6.492 0.000 8.184) 10.446 4.984 ( -0.889 0.000 5.088) 5.165 5.363 ( 2.871 0.000 0.330) 2.890 5.468 ( -3.869 0.000 7.156) 8.135 5.520 ( -8.603 0.000 -1.728) 8.775 5.641 ( 3.146 0.000 -0.092) 3.147 5.786 ( -2.178 0.000 -0.295) 2.198 5.802 ( -2.121 0.000 -2.129) 3.005 5.909 ( -3.580 0.000 -3.863) 5.267 6.001 ( -3.219 0.000 1.385) 3.504 6.344 ( -2.672 0.000 -5.608) 6.212 6.498 ( 4.172 0.000 0.275) 4.181 6.698 ( -3.807 0.000 1.248) 4.007 6.714 ( -3.618 0.000 1.234) 3.822 6.926 ( -6.061 0.000 -1.071) 6.155 7.254 ( -2.508 0.000 2.761) 3.730 7.263 ( -2.995 0.000 4.921) 5.760 7.456 ( 2.595 0.000 -4.161) 4.904 7.662 ( -3.006 0.000 1.969) 3.593 7.726 ( -2.720 0.000 -0.309) 2.738 7.981 ( 2.113 0.000 1.266) 2.464 8.027 ( 4.641 0.000 0.661) 4.688 8.518 ( 2.659 0.000 3.744) 4.593 8.598 ( 3.420 0.000 -8.176) 8.862 11.226 ( 0.668 0.000 0.525) 0.849 11.271 ( 1.168 0.000 -0.964) 1.515 12.968 ( 0.346 0.000 0.101) 0.360 13.043 ( 2.098 0.000 -2.938) 3.611 16.446 ( -0.759 0.000 1.383) 1.578 16.464 ( -1.797 0.000 -1.350) 2.248 16.957 ( -2.484 0.000 2.219) 3.331 17.172 ( -0.542 0.000 -2.563) 2.619 17.428 ( -0.243 0.000 0.981) 1.010 17.439 ( -2.376 0.000 0.053) 2.377 17.611 ( -2.870 0.000 18.800) 19.018 17.730 ( 3.670 0.000 -6.093) 7.113 17.816 ( 0.700 0.000 5.757) 5.799 17.907 ( 3.652 0.000 -11.959) 12.504 ======================= Grid point 71 (29/112) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -22.214 0.000 15.793) 27.256 0.491 ( -29.918 0.000 -3.908) 30.172 0.941 ( -41.753 0.000 28.783) 50.712 2.373 ( -3.277 0.000 -9.374) 9.930 2.526 ( -4.774 0.000 11.090) 12.074 2.681 ( 5.529 0.000 -13.893) 14.953 2.935 ( 4.264 0.000 -4.971) 6.549 3.016 ( -3.455 0.000 10.128) 10.701 3.112 ( 1.349 0.000 0.627) 1.488 3.412 ( 6.981 0.000 1.393) 7.118 3.477 ( 0.626 0.000 -2.569) 2.645 3.692 ( 12.848 0.000 -3.739) 13.381 3.721 ( -3.421 0.000 6.252) 7.127 3.899 ( 0.870 0.000 -4.775) 4.854 4.040 ( 4.254 0.000 1.217) 4.425 4.197 ( 6.514 0.000 7.638) 10.039 4.212 ( 2.042 0.000 0.139) 2.046 4.229 ( 2.331 0.000 -2.914) 3.732 4.402 ( -2.347 0.000 -0.237) 2.359 4.462 ( 5.734 0.000 2.872) 6.413 4.562 ( 5.289 0.000 -1.768) 5.577 4.629 ( -0.479 0.000 -6.551) 6.569 4.911 ( -5.931 0.000 7.877) 9.860 5.021 ( -0.068 0.000 -0.396) 0.401 5.278 ( -11.644 0.000 -7.894) 14.068 5.359 ( -0.718 0.000 -4.458) 4.516 5.500 ( -1.465 0.000 7.362) 7.506 5.671 ( -0.001 0.000 -1.099) 1.099 5.760 ( 0.192 0.000 -0.866) 0.887 5.790 ( -1.543 0.000 2.558) 2.987 5.913 ( 7.244 0.000 7.436) 10.381 5.931 ( -5.122 0.000 -0.311) 5.132 6.267 ( -0.353 0.000 -2.052) 2.082 6.563 ( 3.449 0.000 -1.311) 3.690 6.677 ( -2.273 0.000 0.597) 2.350 6.702 ( 0.495 0.000 4.825) 4.851 6.783 ( -7.596 0.000 -2.374) 7.958 7.255 ( -1.523 0.000 2.689) 3.090 7.335 ( 1.718 0.000 1.964) 2.610 7.440 ( 4.484 0.000 -0.714) 4.541 7.666 ( -1.490 0.000 6.946) 7.104 7.688 ( -1.862 0.000 0.770) 2.016 8.015 ( 0.775 0.000 0.293) 0.829 8.094 ( 2.817 0.000 -0.797) 2.928 8.424 ( -8.179 0.000 -23.313) 24.706 8.579 ( 0.619 0.000 1.541) 1.661 11.243 ( 0.174 0.000 0.938) 0.954 11.285 ( 0.922 0.000 -0.043) 0.923 12.975 ( 0.176 0.000 0.386) 0.424 13.029 ( 0.586 0.000 -0.759) 0.959 16.424 ( -0.999 0.000 -0.755) 1.252 16.444 ( -0.895 0.000 0.702) 1.137 16.940 ( -1.841 0.000 1.507) 2.379 17.147 ( 0.876 0.000 -2.167) 2.338 17.379 ( -2.260 0.000 -1.875) 2.937 17.434 ( -0.338 0.000 0.795) 0.864 17.653 ( -9.612 0.000 -25.423) 27.180 17.728 ( 3.309 0.000 -5.418) 6.349 17.895 ( -0.185 0.000 6.254) 6.257 17.986 ( 12.087 0.000 26.194) 28.848 ======================= Grid point 72 (30/112) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 3.306 17.887 16.154) 24.328 0.834 ( -5.316 19.740 21.750) 29.849 1.374 ( -0.594 32.993 33.326) 46.899 2.232 ( -1.370 3.523 -12.740) 13.289 2.558 ( 2.560 0.896 -14.789) 15.035 2.631 ( -1.238 2.618 9.364) 9.801 2.872 ( 1.206 -7.980 -0.620) 8.094 2.949 ( -4.672 -4.414 5.348) 8.361 3.076 ( -0.567 -2.552 -4.028) 4.802 3.370 ( 3.360 -2.420 -5.255) 6.690 3.499 ( -3.509 3.195 -2.216) 5.238 3.675 ( -2.451 -3.625 0.396) 4.393 3.757 ( 0.592 -4.767 -0.056) 4.804 3.927 ( 5.788 -7.263 2.399) 9.592 4.003 ( 0.456 0.495 2.049) 2.157 4.144 ( -5.968 -9.160 3.232) 11.401 4.196 ( 0.676 -1.127 -2.302) 2.651 4.228 ( 2.894 -5.754 -0.563) 6.466 4.469 ( 0.318 -2.468 -2.161) 3.296 4.576 ( -5.654 -0.354 7.694) 9.554 4.627 ( 3.112 4.837 -4.950) 7.588 4.786 ( 2.998 0.841 0.781) 3.211 4.853 ( 6.311 0.442 -5.938) 8.677 5.026 ( -4.451 -3.844 3.871) 7.041 5.120 ( 6.534 3.989 1.108) 7.735 5.318 ( 2.323 0.175 -6.162) 6.588 5.522 ( -3.154 -2.603 1.656) 4.412 5.693 ( 2.447 -1.017 4.022) 4.817 5.745 ( -3.998 3.082 -0.872) 5.123 5.838 ( 5.710 0.739 -0.077) 5.758 5.872 ( -4.872 4.555 1.313) 6.798 5.999 ( -3.575 -1.124 3.006) 4.804 6.323 ( 1.638 2.449 1.006) 3.113 6.558 ( 1.759 -3.018 -1.214) 3.698 6.613 ( -3.730 -0.793 -2.062) 4.335 6.668 ( -0.963 2.752 -2.639) 3.933 6.804 ( 3.551 -0.019 5.825) 6.822 6.952 ( -7.044 -2.426 1.766) 7.657 7.233 ( -2.306 -1.265 1.507) 3.031 7.465 ( 2.321 -2.225 -1.590) 3.587 7.678 ( -1.607 0.058 2.811) 3.239 7.711 ( 0.105 -0.440 4.541) 4.564 7.976 ( 0.650 -1.685 -2.508) 3.090 8.064 ( -0.595 -2.948 -2.101) 3.669 8.326 ( 4.249 1.502 4.535) 6.394 8.903 ( 2.054 7.712 -16.613) 18.431 11.258 ( -0.249 0.465 1.210) 1.320 11.299 ( 0.493 0.202 0.404) 0.669 13.017 ( -0.633 1.769 -0.911) 2.088 13.133 ( 3.654 -0.651 -1.357) 3.952 16.409 ( 0.788 -0.947 0.126) 1.238 16.423 ( -0.884 -1.098 0.140) 1.417 16.948 ( -1.272 1.153 1.803) 2.490 17.041 ( -6.219 -0.709 2.996) 6.939 17.173 ( 1.097 2.393 -1.628) 3.095 17.387 ( 1.502 1.570 -4.414) 4.920 17.449 ( -0.749 1.208 0.977) 1.725 17.704 ( 2.058 -0.986 -5.709) 6.148 17.975 ( -1.977 2.577 4.193) 5.304 18.201 ( -0.751 -3.935 3.075) 5.050 ======================= Grid point 73 (31/112) ======================= q-point: ( 0.11 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 2.669 15.060 22.589) 27.280 1.089 ( 11.038 6.251 24.480) 27.572 1.882 ( 13.937 17.422 18.816) 29.186 2.074 ( 3.393 7.143 -9.575) 12.419 2.417 ( 4.432 0.160 -18.280) 18.810 2.733 ( 0.733 2.059 8.486) 8.763 2.823 ( -9.039 -3.189 2.915) 10.018 2.927 ( 0.118 -5.836 -1.025) 5.926 3.070 ( 3.199 -6.226 -0.597) 7.026 3.361 ( 0.701 0.238 -5.440) 5.490 3.404 ( -0.130 1.469 -4.659) 4.887 3.606 ( -4.376 -4.337 -1.527) 6.347 3.729 ( -8.450 -1.282 3.155) 9.110 3.887 ( -7.134 -5.888 2.457) 9.571 3.999 ( -9.515 -2.213 -1.339) 9.861 4.098 ( 2.769 -1.852 4.218) 5.374 4.205 ( 1.511 -4.331 1.839) 4.942 4.265 ( 5.244 -1.724 -6.270) 8.354 4.422 ( -2.272 -3.247 -3.848) 5.523 4.497 ( -6.914 3.448 -2.014) 7.984 4.553 ( -4.993 -8.565 4.693) 10.969 4.781 ( -0.761 4.966 -3.470) 6.106 4.920 ( 1.077 2.703 -3.678) 4.690 4.988 ( -0.466 0.905 4.566) 4.678 5.245 ( 1.215 2.785 -6.849) 7.492 5.292 ( 3.883 -5.732 0.682) 6.957 5.567 ( 7.054 1.705 -0.146) 7.258 5.666 ( -7.078 1.256 3.236) 7.884 5.760 ( 1.683 4.471 -1.248) 4.938 5.834 ( 0.631 0.845 0.219) 1.077 5.967 ( 5.622 5.246 1.042) 7.760 6.005 ( 1.969 0.457 2.368) 3.113 6.400 ( 3.493 -2.139 3.936) 5.681 6.523 ( -1.405 -0.795 -2.535) 3.005 6.596 ( 0.729 -0.370 -1.026) 1.312 6.612 ( 1.330 0.662 -0.370) 1.531 6.946 ( 4.733 0.040 5.252) 7.070 6.979 ( 6.320 -1.573 -1.209) 6.624 7.206 ( -2.821 -0.604 1.126) 3.097 7.470 ( 1.189 -1.522 -2.104) 2.856 7.692 ( -0.564 -1.127 3.153) 3.396 7.765 ( 0.194 0.506 4.070) 4.106 7.952 ( -0.603 -1.753 -2.085) 2.790 8.002 ( -2.704 -2.782 -3.215) 5.039 8.428 ( 0.501 -1.411 2.349) 2.786 8.734 ( -1.573 4.062 -9.362) 10.326 11.261 ( -0.983 0.753 1.018) 1.603 11.311 ( 0.052 0.222 0.658) 0.696 13.002 ( -0.953 1.206 0.523) 1.623 13.124 ( -1.205 -0.332 -2.030) 2.384 16.409 ( -0.453 -0.826 -0.409) 1.027 16.439 ( 1.959 -1.179 0.564) 2.355 16.935 ( -1.727 1.298 1.442) 2.598 17.084 ( 4.535 -1.143 0.530) 4.707 17.189 ( 3.331 2.750 -1.894) 4.716 17.397 ( 3.851 1.939 -2.906) 5.199 17.461 ( 0.415 0.313 1.762) 1.837 17.666 ( 1.057 -0.274 -5.055) 5.171 17.969 ( -4.614 1.410 5.227) 7.114 18.175 ( -3.897 -1.952 1.613) 4.648 ======================= Grid point 74 (32/112) ======================= q-point: ( 0.22 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 8.503 12.719 19.974) 25.160 1.547 ( 9.832 4.162 18.986) 21.782 1.842 ( 3.831 2.877 -17.125) 17.782 2.255 ( 6.400 6.213 -15.233) 17.652 2.500 ( 15.778 -1.235 5.649) 16.804 2.716 ( -8.080 1.920 7.967) 11.508 2.835 ( 0.625 0.285 5.238) 5.283 2.922 ( -0.209 -4.378 1.812) 4.743 3.130 ( 2.831 -5.488 0.647) 6.209 3.297 ( 0.621 -5.074 -10.904) 12.043 3.345 ( -2.408 -1.050 0.083) 2.628 3.480 ( -9.181 -0.404 2.782) 9.602 3.656 ( -5.925 -3.057 5.960) 8.942 3.729 ( -10.021 -1.214 0.642) 10.115 3.907 ( -1.013 8.030 -0.695) 8.123 4.127 ( -4.534 -5.560 -1.268) 7.285 4.191 ( -6.497 -2.176 -3.653) 7.765 4.258 ( -4.135 -5.407 2.099) 7.123 4.320 ( 5.840 -2.732 -1.879) 6.715 4.437 ( -1.242 -2.171 -0.805) 2.627 4.532 ( -2.268 -6.861 1.138) 7.315 4.710 ( 0.771 5.547 -5.451) 7.815 4.889 ( -0.807 1.522 0.551) 1.809 5.049 ( 1.224 5.590 3.131) 6.523 5.209 ( 3.200 4.150 -6.435) 8.299 5.321 ( -0.428 -5.186 -0.576) 5.235 5.570 ( -5.490 1.982 1.569) 6.044 5.688 ( 3.252 6.016 0.475) 6.855 5.766 ( 3.198 4.102 -1.290) 5.358 5.857 ( 1.596 -1.327 -1.106) 2.352 6.044 ( 3.040 10.269 -0.126) 10.710 6.086 ( 3.968 -1.695 1.999) 4.755 6.442 ( 0.502 -0.625 -2.608) 2.729 6.501 ( 0.104 -1.114 -0.067) 1.121 6.652 ( 5.144 -4.517 1.704) 7.055 6.707 ( 6.497 -0.569 3.553) 7.427 7.056 ( 3.755 -1.288 -2.850) 4.887 7.069 ( 2.376 0.156 3.845) 4.523 7.180 ( 0.996 0.287 -0.624) 1.210 7.468 ( 1.384 -0.120 -1.777) 2.256 7.731 ( 0.412 -2.094 3.499) 4.098 7.814 ( 0.584 -0.000 3.375) 3.426 7.904 ( -2.457 -1.754 -1.661) 3.446 7.914 ( -3.106 -2.592 -2.390) 4.698 8.385 ( -3.558 1.696 -2.835) 4.855 8.661 ( -0.511 -0.751 -1.480) 1.737 11.250 ( -1.365 0.729 0.734) 1.713 11.315 ( -0.341 0.062 0.430) 0.552 12.991 ( -1.241 0.669 0.690) 1.569 13.070 ( -2.097 0.281 -1.814) 2.787 16.398 ( -0.078 -0.361 -0.549) 0.661 16.480 ( 1.999 -1.453 0.310) 2.491 16.927 ( -0.897 1.318 1.127) 1.952 17.144 ( 2.954 -1.866 -0.993) 3.632 17.248 ( 5.182 2.335 -1.386) 5.850 17.421 ( 1.138 1.484 -1.008) 2.125 17.508 ( 2.598 0.765 1.465) 3.079 17.631 ( 0.888 0.187 -3.552) 3.666 17.953 ( -3.695 -0.343 4.593) 5.905 18.122 ( -4.044 -0.453 1.008) 4.193 ======================= Grid point 75 (33/112) ======================= q-point: ( 0.33 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 5.129 6.583 -6.966) 10.870 1.800 ( 10.737 9.445 14.151) 20.118 1.923 ( 8.404 -1.113 4.258) 9.486 2.205 ( 6.873 7.211 -9.751) 13.940 2.617 ( 2.762 -3.138 -1.520) 4.448 2.743 ( -2.619 -1.510 1.621) 3.431 2.854 ( -4.339 0.480 1.056) 4.491 2.959 ( -0.423 -4.702 2.629) 5.404 3.117 ( -4.654 -6.381 -7.817) 11.112 3.183 ( 1.760 -5.565 1.502) 6.027 3.337 ( -4.803 -2.237 5.909) 7.936 3.434 ( -2.579 -2.171 5.390) 6.357 3.518 ( -6.621 -4.119 0.180) 7.800 3.742 ( -3.121 2.399 3.340) 5.162 3.845 ( -2.730 7.088 -3.490) 8.359 3.975 ( 0.324 3.436 -2.086) 4.033 4.096 ( -3.994 -5.668 1.176) 7.033 4.273 ( 0.187 -4.083 1.859) 4.490 4.358 ( 0.187 -1.849 -3.717) 4.156 4.406 ( 1.350 -5.507 -2.718) 6.288 4.499 ( -1.938 -4.333 0.518) 4.775 4.712 ( 5.133 3.620 -5.315) 8.228 4.907 ( 0.657 0.048 2.855) 2.930 5.101 ( -0.405 6.942 4.232) 8.140 5.191 ( 1.993 6.955 -3.805) 8.174 5.279 ( -4.477 -5.166 2.163) 7.170 5.513 ( -2.178 2.231 -0.020) 3.118 5.693 ( -1.469 10.711 1.218) 10.880 5.823 ( 2.286 -1.699 -2.612) 3.865 5.873 ( 3.216 -0.537 -0.631) 3.321 6.086 ( 1.870 11.605 -0.066) 11.755 6.170 ( 4.366 -0.963 -0.198) 4.476 6.420 ( 1.359 1.649 -2.901) 3.603 6.525 ( 2.512 -2.919 -0.103) 3.852 6.728 ( 2.932 -4.614 0.286) 5.474 6.889 ( 6.508 -2.753 5.472) 8.937 7.031 ( -1.565 -0.704 -2.524) 3.052 7.101 ( 0.087 1.166 -0.609) 1.318 7.241 ( 4.268 0.066 0.536) 4.302 7.476 ( 1.639 0.959 -1.424) 2.373 7.774 ( -0.148 -2.027 2.818) 3.475 7.830 ( -2.308 -1.977 -0.787) 3.139 7.842 ( -4.162 -1.033 0.597) 4.330 7.875 ( 1.853 -2.779 0.642) 3.402 8.300 ( -2.124 2.199 -1.953) 3.628 8.643 ( -1.188 -1.182 0.066) 1.677 11.233 ( -1.285 0.573 0.326) 1.444 11.309 ( -0.410 -0.138 -0.261) 0.505 12.976 ( -1.143 0.447 0.395) 1.289 13.020 ( -1.495 0.470 -1.213) 1.982 16.396 ( 0.150 0.026 -0.002) 0.153 16.510 ( 1.265 -1.580 -0.107) 2.027 16.930 ( -0.596 1.275 1.593) 2.125 17.179 ( 2.993 -1.533 -1.299) 3.605 17.310 ( 2.177 0.163 0.344) 2.210 17.419 ( -0.006 2.332 -0.149) 2.336 17.569 ( 2.201 2.028 1.418) 3.312 17.615 ( 0.855 0.525 -2.065) 2.296 17.947 ( -1.494 -2.128 1.533) 3.019 18.062 ( -3.608 0.422 0.134) 3.635 ======================= Grid point 76 (34/112) ======================= q-point: ( 0.44 0.14 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 6.392 4.588 -0.453) 7.881 1.969 ( 2.986 3.741 -1.215) 4.938 2.078 ( -2.995 3.484 3.862) 6.002 2.304 ( 11.558 5.707 -1.640) 12.994 2.583 ( -9.403 3.786 -1.043) 10.190 2.670 ( 5.303 -2.143 -3.580) 6.747 2.820 ( 0.216 -2.373 0.234) 2.394 2.908 ( -0.558 -3.756 -5.889) 7.007 3.030 ( -3.122 -4.366 0.199) 5.371 3.177 ( -5.742 -5.890 4.295) 9.280 3.316 ( -4.156 -4.633 4.201) 7.509 3.398 ( -4.948 -5.788 2.091) 7.896 3.547 ( -0.046 -5.140 6.486) 8.276 3.643 ( 3.334 5.520 -6.172) 8.926 3.849 ( -1.860 0.079 1.899) 2.660 4.010 ( 2.730 4.138 -0.386) 4.972 4.076 ( -2.425 0.433 3.096) 3.956 4.259 ( -1.684 -3.034 -3.308) 4.794 4.320 ( 3.258 -2.659 -4.177) 5.927 4.392 ( -1.237 -4.334 -0.597) 4.546 4.473 ( 0.219 -6.378 -3.127) 7.107 4.721 ( 4.104 2.043 -6.174) 7.691 4.965 ( 1.257 1.568 2.899) 3.527 5.136 ( -2.222 7.312 4.752) 8.999 5.180 ( -0.510 7.192 0.507) 7.228 5.263 ( -1.356 -3.641 5.134) 6.438 5.508 ( -0.035 2.695 2.875) 3.941 5.691 ( -1.601 11.202 2.859) 11.672 5.817 ( 1.992 -1.316 -2.741) 3.635 5.912 ( 1.421 -1.599 -0.810) 2.287 6.102 ( 0.698 10.780 -0.742) 10.828 6.218 ( 2.442 -0.369 -2.446) 3.476 6.420 ( 1.813 2.203 -2.253) 3.635 6.561 ( 1.203 -3.219 -0.478) 3.470 6.770 ( 1.764 -5.265 -0.173) 5.555 6.945 ( -2.204 -2.698 -3.493) 4.933 7.015 ( -0.202 0.023 1.339) 1.354 7.115 ( 2.371 0.839 2.376) 3.460 7.305 ( 1.821 0.082 1.291) 2.234 7.488 ( 1.312 1.464 -1.141) 2.273 7.770 ( -1.967 -1.367 0.668) 2.487 7.787 ( -2.748 -1.489 0.791) 3.224 7.814 ( 0.423 -2.131 0.582) 2.249 7.905 ( 0.373 -3.236 0.203) 3.264 8.280 ( 0.258 1.933 1.337) 2.364 8.618 ( -0.962 -1.119 -1.069) 1.823 11.217 ( -0.650 0.573 -0.013) 0.867 11.296 ( -0.143 -0.151 -1.131) 1.150 12.964 ( -0.580 0.447 0.175) 0.753 12.996 ( -0.087 0.462 -0.450) 0.651 16.404 ( 0.126 0.128 0.895) 0.913 16.522 ( 0.483 -1.536 -0.392) 1.657 16.944 ( -0.706 1.129 2.595) 2.916 17.221 ( 3.034 -1.894 -0.659) 3.637 17.325 ( -1.374 -0.632 2.013) 2.517 17.433 ( 0.806 3.140 1.114) 3.428 17.593 ( -0.605 4.186 -1.237) 4.406 17.622 ( 1.739 -0.752 0.765) 2.043 17.928 ( -0.496 -2.517 -2.163) 3.356 18.003 ( -2.169 0.373 -1.559) 2.697 ======================= Grid point 77 (35/112) ======================= q-point: (-0.44 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -10.941 1.288 -2.451) 11.286 1.908 ( -15.502 6.036 -2.165) 16.776 2.051 ( 4.414 5.078 8.315) 10.696 2.319 ( 5.008 4.382 -4.788) 8.198 2.596 ( 0.002 2.027 0.478) 2.082 2.748 ( 3.549 -1.909 -2.866) 4.945 2.815 ( 6.141 0.063 -4.527) 7.629 2.881 ( 4.542 -0.430 -4.073) 6.116 2.979 ( -3.567 -7.105 2.141) 8.233 3.126 ( -2.370 -2.041 -1.831) 3.624 3.312 ( -2.360 -3.373 5.688) 7.022 3.359 ( -4.079 -7.509 5.300) 10.055 3.546 ( 1.011 3.201 -3.889) 5.137 3.671 ( -3.744 -2.020 3.112) 5.271 3.898 ( 6.739 -3.187 3.054) 8.056 3.999 ( -2.720 8.720 -1.116) 9.202 4.091 ( -0.038 -3.048 4.590) 5.510 4.213 ( 2.797 -7.635 -6.221) 10.238 4.299 ( -1.781 -3.702 -3.963) 5.708 4.371 ( 2.418 -2.782 -3.364) 4.990 4.444 ( 1.107 -5.775 -2.492) 6.386 4.734 ( 5.571 3.176 -5.340) 8.345 4.997 ( -1.704 3.434 3.282) 5.046 5.097 ( -5.124 7.041 2.699) 9.116 5.246 ( 2.711 5.240 4.538) 7.443 5.328 ( 0.528 -0.998 5.431) 5.547 5.574 ( 1.152 2.088 5.917) 6.379 5.698 ( -1.948 11.466 3.334) 12.098 5.832 ( 2.353 -1.801 -1.716) 3.424 5.901 ( -1.073 -0.970 -1.344) 1.974 6.098 ( -0.355 8.015 -0.551) 8.042 6.183 ( -1.954 0.909 -4.324) 4.831 6.427 ( 1.718 2.096 -1.598) 3.147 6.538 ( -1.378 -3.280 -3.192) 4.780 6.773 ( -1.601 -5.101 0.060) 5.346 6.847 ( -3.748 -1.846 -3.738) 5.606 7.010 ( -1.291 0.659 1.887) 2.380 7.187 ( 1.791 -1.401 1.565) 2.760 7.331 ( -1.429 0.718 2.585) 3.040 7.486 ( 0.230 1.293 -1.542) 2.025 7.742 ( -2.108 -1.385 0.069) 2.524 7.783 ( 0.792 -1.099 0.637) 1.497 7.836 ( 1.197 -1.974 1.288) 2.643 7.894 ( -0.783 -3.250 -0.377) 3.364 8.335 ( 2.107 1.754 3.874) 4.746 8.592 ( 0.795 -1.528 -2.504) 3.039 11.212 ( 0.178 0.751 -0.122) 0.781 11.281 ( 0.398 0.066 -1.672) 1.720 12.962 ( 0.076 0.509 0.114) 0.527 13.005 ( 1.424 0.456 -0.233) 1.513 16.418 ( -0.159 -0.109 1.528) 1.540 16.517 ( -0.314 -1.388 -0.700) 1.586 16.963 ( -1.307 0.907 3.452) 3.800 17.242 ( -0.445 -2.418 -0.455) 2.500 17.351 ( 1.596 0.578 3.147) 3.575 17.456 ( -1.147 2.316 2.941) 3.915 17.551 ( -1.364 3.061 -2.205) 4.011 17.666 ( 1.257 0.178 2.417) 2.730 17.871 ( -1.469 -1.721 -4.721) 5.236 17.963 ( 1.312 -0.061 -3.805) 4.025 ======================= Grid point 78 (36/112) ======================= q-point: (-0.33 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -19.480 4.797 -6.511) 21.092 1.552 ( -23.441 10.403 1.517) 25.691 2.256 ( 5.395 -0.294 10.043) 11.404 2.373 ( -10.166 8.998 -10.096) 16.918 2.510 ( 1.046 6.025 1.942) 6.416 2.696 ( 0.933 2.899 -5.020) 5.871 2.769 ( -3.372 -8.187 0.671) 8.880 2.953 ( -1.425 -4.091 2.342) 4.925 3.006 ( 6.667 0.994 -3.006) 7.380 3.121 ( 7.241 0.745 -5.297) 9.002 3.339 ( 2.112 -5.753 3.414) 7.015 3.434 ( 1.227 -5.018 7.398) 9.023 3.539 ( 3.752 1.390 -1.542) 4.288 3.671 ( 0.245 -4.991 3.561) 6.135 3.958 ( -1.766 5.954 1.715) 6.442 4.038 ( 3.223 -8.721 -1.074) 9.360 4.144 ( -0.578 -3.226 -2.089) 3.887 4.166 ( 1.920 -4.590 0.852) 5.048 4.249 ( 5.281 -8.788 -7.398) 12.644 4.377 ( 2.806 -2.982 -2.698) 4.903 4.473 ( 3.288 1.146 0.455) 3.511 4.775 ( 5.026 4.919 -4.237) 8.211 4.999 ( -3.226 4.100 5.152) 7.333 5.052 ( -3.710 7.467 2.692) 8.762 5.340 ( 2.986 4.518 1.990) 5.770 5.378 ( -1.059 -2.440 3.437) 4.346 5.627 ( -5.106 -0.035 4.411) 6.747 5.718 ( 1.326 10.081 3.601) 10.787 5.838 ( 0.015 -1.600 -1.326) 2.078 5.862 ( -1.741 2.018 -0.466) 2.706 6.059 ( -4.106 1.171 -4.121) 5.934 6.081 ( -1.986 5.928 -1.527) 6.435 6.439 ( -0.306 -0.484 -2.493) 2.558 6.461 ( 0.568 -0.463 -3.533) 3.608 6.722 ( -4.048 -3.467 0.002) 5.329 6.745 ( -4.916 -2.307 -0.272) 5.438 7.004 ( -2.038 0.654 0.519) 2.203 7.194 ( -2.166 -3.436 0.568) 4.101 7.326 ( -3.345 1.292 3.852) 5.262 7.468 ( 0.786 0.642 -2.488) 2.687 7.697 ( -2.954 -0.955 0.110) 3.106 7.775 ( -1.799 -0.495 -0.967) 2.102 7.894 ( 3.166 -2.306 1.885) 4.347 7.914 ( 2.889 -2.702 1.080) 4.100 8.410 ( 0.985 -0.083 2.280) 2.485 8.613 ( 5.311 0.202 -1.210) 5.451 11.219 ( 0.652 0.760 -0.085) 1.005 11.274 ( 0.956 0.377 -1.509) 1.826 12.969 ( 0.565 0.718 0.123) 0.922 13.032 ( 2.377 0.499 -1.022) 2.635 16.431 ( -0.561 -0.561 1.602) 1.788 16.493 ( -1.259 -1.238 -1.082) 2.070 16.973 ( -2.227 0.770 3.285) 4.042 17.211 ( -1.486 -1.080 -1.134) 2.159 17.421 ( 0.190 0.372 3.897) 3.919 17.456 ( -3.059 0.962 3.193) 4.525 17.518 ( -0.591 1.014 0.597) 1.317 17.714 ( 0.832 -0.730 1.083) 1.549 17.798 ( 0.111 0.382 -2.910) 2.937 17.953 ( 3.787 0.325 -5.738) 6.882 ======================= Grid point 79 (37/112) ======================= q-point: (-0.22 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -19.634 11.690 -1.678) 22.912 1.177 ( -23.597 15.541 3.373) 28.455 1.810 ( -31.629 20.131 -9.406) 38.654 2.446 ( 1.690 0.956 10.408) 10.588 2.532 ( 0.594 0.863 -7.276) 7.351 2.687 ( -0.270 1.615 0.052) 1.638 2.795 ( 1.844 -5.987 3.276) 7.069 2.956 ( -3.386 -4.465 5.029) 7.529 3.086 ( 3.279 2.448 -1.276) 4.287 3.214 ( 13.842 0.297 -3.666) 14.322 3.454 ( 4.669 -0.225 1.809) 5.013 3.517 ( 2.894 -4.954 2.880) 6.420 3.646 ( 5.474 -3.460 1.809) 6.723 3.749 ( 5.266 -10.393 -0.178) 11.653 3.938 ( -2.412 -7.521 0.404) 7.909 4.008 ( 2.200 1.310 -0.788) 2.678 4.094 ( -0.897 -7.237 -3.880) 8.261 4.251 ( 2.921 -9.446 -4.177) 10.733 4.307 ( 8.292 -1.065 0.683) 8.388 4.408 ( 2.974 1.180 -1.276) 3.445 4.549 ( 4.157 4.691 1.306) 6.402 4.789 ( 2.185 5.737 -4.747) 7.760 4.986 ( -5.443 5.558 4.591) 9.033 5.054 ( -0.237 4.918 3.327) 5.943 5.346 ( -2.228 -3.088 -3.331) 5.059 5.387 ( -1.500 -0.250 0.889) 1.762 5.534 ( -6.468 -0.826 1.724) 6.745 5.782 ( -0.516 2.690 -0.549) 2.793 5.802 ( -3.092 4.487 -2.304) 5.916 5.828 ( 0.775 2.613 2.749) 3.871 5.961 ( -3.016 5.463 0.241) 6.244 6.021 ( -3.719 2.276 -1.478) 4.604 6.359 ( -1.851 0.937 -3.340) 3.932 6.495 ( 3.469 -1.301 -1.018) 3.842 6.652 ( -3.535 -2.780 0.437) 4.519 6.688 ( -3.215 -1.117 2.581) 4.272 6.927 ( -6.211 0.194 -1.604) 6.418 7.155 ( -3.500 -4.759 1.775) 6.168 7.304 ( -4.717 0.033 4.560) 6.561 7.459 ( 1.920 0.270 -3.457) 3.963 7.659 ( -2.250 -0.101 1.556) 2.737 7.725 ( -2.495 -0.295 -0.690) 2.606 7.961 ( 2.194 -1.973 1.092) 3.146 7.996 ( 4.388 -2.969 1.052) 5.401 8.395 ( -2.139 -3.312 -2.683) 4.769 8.752 ( 10.358 5.334 0.454) 11.659 11.231 ( 0.708 0.463 0.137) 0.857 11.278 ( 1.038 0.502 -0.835) 1.424 12.986 ( 1.209 1.300 0.497) 1.844 13.054 ( 2.448 0.825 -2.690) 3.729 16.434 ( -0.946 -1.086 1.122) 1.826 16.452 ( -1.733 -0.976 -1.046) 2.247 16.964 ( -2.465 0.850 2.336) 3.501 17.175 ( -0.699 -0.103 -1.665) 1.809 17.401 ( -7.495 -3.644 3.554) 9.060 17.442 ( -0.391 1.234 0.321) 1.333 17.539 ( -2.803 -2.821 4.915) 6.322 17.715 ( 3.784 -1.945 -4.657) 6.308 17.836 ( 2.209 2.760 3.387) 4.896 17.967 ( 4.854 3.077 -3.499) 6.728 ======================= Grid point 80 (38/112) ======================= q-point: (-0.11 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -13.024 20.923 12.135) 27.471 0.795 ( -18.104 24.880 -4.966) 31.168 1.297 ( -28.025 30.197 19.082) 45.402 2.401 ( -2.879 2.263 -9.668) 10.338 2.553 ( -2.231 3.230 9.845) 10.599 2.663 ( 2.314 -0.907 -9.105) 9.438 2.846 ( 2.650 -7.599 -1.164) 8.131 2.966 ( -5.181 -5.881 7.833) 11.081 3.103 ( 1.545 1.442 -1.680) 2.700 3.377 ( 4.920 -2.852 -3.583) 6.721 3.519 ( 1.027 2.742 1.621) 3.347 3.644 ( 8.348 -3.083 -0.449) 8.910 3.720 ( 3.416 -4.551 1.667) 5.929 3.792 ( 1.046 -9.727 2.621) 10.128 3.980 ( 3.027 -7.460 -2.006) 8.297 4.069 ( 3.103 -5.111 1.233) 6.105 4.103 ( 7.313 -2.672 3.289) 8.452 4.246 ( 0.386 -4.094 -0.133) 4.115 4.396 ( 1.710 -3.102 2.027) 4.082 4.467 ( 4.466 6.122 -0.716) 7.612 4.649 ( 6.331 4.750 0.742) 7.950 4.724 ( -0.554 6.429 -8.049) 10.316 4.939 ( -6.176 2.692 3.656) 7.665 5.079 ( 0.561 3.982 -1.255) 4.212 5.167 ( -10.546 -5.992 -3.434) 12.606 5.352 ( 0.198 -0.264 -4.102) 4.115 5.521 ( -0.854 -1.112 5.033) 5.224 5.688 ( -3.170 -1.344 -3.562) 4.954 5.763 ( 0.973 4.927 -1.293) 5.186 5.863 ( -2.538 -0.005 -2.185) 3.349 5.944 ( -4.792 4.237 1.597) 6.592 5.967 ( -0.479 3.412 7.529) 8.280 6.312 ( -0.119 3.606 -1.482) 3.900 6.536 ( 2.835 -3.247 -1.635) 4.610 6.631 ( -0.120 -1.861 1.256) 2.248 6.701 ( 0.273 0.207 3.698) 3.714 6.781 ( -7.059 0.367 -2.024) 7.352 7.105 ( -7.981 -8.265 3.890) 12.130 7.271 ( -4.437 -2.135 2.330) 5.447 7.445 ( 1.913 0.828 -3.398) 3.986 7.663 ( -0.951 0.537 3.788) 3.942 7.684 ( -1.935 -0.553 0.973) 2.235 7.990 ( 0.812 -2.108 -0.924) 2.440 8.064 ( 2.384 -3.156 -0.235) 3.962 8.300 ( -3.184 1.200 -2.670) 4.325 8.928 ( 12.805 7.610 -8.143) 16.976 11.245 ( 0.273 0.275 0.790) 0.880 11.287 ( 0.739 0.242 -0.177) 0.797 13.031 ( 1.725 0.545 1.148) 2.142 13.054 ( 3.559 3.168 -3.312) 5.802 16.413 ( -0.917 -1.003 -0.591) 1.481 16.433 ( -0.933 -1.065 0.724) 1.591 16.950 ( -1.799 1.037 1.759) 2.721 17.149 ( -0.896 -1.019 -1.192) 1.806 17.266 ( -12.045 -6.229 1.411) 13.634 17.433 ( -1.038 -0.384 -0.595) 1.256 17.487 ( -3.878 -1.457 -2.381) 4.778 17.724 ( 3.525 -2.148 -5.760) 7.087 17.928 ( 2.863 2.783 2.889) 4.929 18.077 ( 5.796 2.583 7.082) 9.509 ======================= Grid point 81 (39/112) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -1.421 25.905 1.178) 25.971 1.294 ( 0.293 25.388 8.871) 26.895 1.995 ( -0.744 25.380 19.867) 32.240 2.307 ( -0.233 2.880 -10.836) 11.215 2.518 ( 1.154 -5.989 -8.578) 10.525 2.674 ( 1.378 1.063 -5.571) 5.836 2.760 ( -0.610 -0.210 6.348) 6.381 2.804 ( -1.789 -9.028 2.266) 9.479 3.060 ( -2.770 1.082 -5.243) 6.027 3.339 ( 4.344 -0.953 -1.004) 4.559 3.442 ( -2.331 -9.825 1.382) 10.192 3.591 ( -1.042 -3.096 0.827) 3.369 3.618 ( -5.016 -12.759 3.809) 14.229 3.750 ( 0.308 0.086 8.250) 8.257 3.940 ( 0.491 -8.906 3.505) 9.584 4.052 ( 5.343 -5.807 -1.921) 8.122 4.194 ( -3.891 5.428 1.181) 6.783 4.228 ( 5.703 3.697 -2.079) 7.107 4.364 ( -3.808 -4.923 2.837) 6.840 4.602 ( -4.623 0.007 -0.675) 4.672 4.706 ( 1.037 3.983 -6.295) 7.522 4.858 ( 2.936 1.824 -1.790) 3.893 4.898 ( 3.760 5.540 -5.735) 8.816 4.972 ( -0.508 -1.616 1.912) 2.554 5.183 ( 2.889 2.563 1.847) 4.281 5.309 ( -0.650 -0.484 -3.460) 3.554 5.486 ( 3.635 -1.708 -1.218) 4.197 5.656 ( 0.319 -1.632 2.868) 3.315 5.740 ( -5.356 -8.033 2.181) 9.898 5.751 ( 1.480 -2.945 -1.285) 3.538 6.000 ( 2.255 7.468 2.136) 8.088 6.096 ( -3.086 7.590 -0.117) 8.195 6.337 ( -0.187 -1.378 -1.648) 2.156 6.476 ( -0.019 -5.187 0.402) 5.203 6.651 ( -1.879 4.678 -1.185) 5.179 6.742 ( 2.901 4.220 -0.181) 5.124 6.818 ( 2.537 1.448 3.134) 4.284 6.905 ( -4.556 -2.392 1.902) 5.486 7.232 ( -1.615 1.803 1.350) 2.772 7.456 ( 1.080 0.235 -2.225) 2.484 7.649 ( -0.231 -2.484 2.007) 3.202 7.707 ( -0.645 -0.555 3.109) 3.223 7.934 ( 0.459 -2.216 -2.023) 3.035 7.994 ( -0.636 -3.757 -1.478) 4.087 8.406 ( 1.291 5.854 1.729) 6.239 8.893 ( -0.243 -5.926 -9.444) 11.152 11.269 ( -0.053 0.663 1.264) 1.428 11.302 ( 0.485 -0.017 0.527) 0.716 13.042 ( -0.382 1.011 -0.481) 1.183 13.110 ( 1.674 -1.459 -0.484) 2.273 16.387 ( 0.528 -1.170 0.020) 1.284 16.396 ( -0.549 -1.385 0.284) 1.517 16.977 ( -1.496 1.586 1.901) 2.893 17.035 ( -2.651 -0.163 2.428) 3.599 17.233 ( 1.230 3.425 -1.923) 4.116 17.389 ( 1.820 -0.916 -3.059) 3.676 17.489 ( -0.478 2.570 -0.030) 2.615 17.666 ( 1.546 -2.641 -3.411) 4.583 18.032 ( -1.019 2.934 2.300) 3.865 18.151 ( -0.875 -1.610 2.422) 3.038 ======================= Grid point 82 (40/112) ======================= q-point: ( 0.11 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 9.601 15.874 12.472) 22.354 1.464 ( 4.455 22.646 12.605) 26.298 2.154 ( 0.334 9.244 -14.218) 16.962 2.248 ( 6.034 1.880 7.765) 10.012 2.415 ( 5.024 2.669 -13.678) 14.814 2.690 ( 2.989 -6.404 -0.018) 7.067 2.758 ( -5.769 -4.091 5.122) 8.732 2.861 ( 1.537 -0.086 4.344) 4.609 2.995 ( 0.968 2.182 -0.307) 2.407 3.336 ( -3.147 -3.320 -4.295) 6.275 3.445 ( -3.069 -0.090 2.345) 3.863 3.483 ( -5.196 -5.035 0.583) 7.259 3.588 ( -4.250 -9.378 3.063) 10.742 3.793 ( -5.826 -4.084 3.232) 7.814 3.937 ( -3.270 -3.730 7.190) 8.735 4.069 ( -2.239 -5.912 2.611) 6.840 4.151 ( -1.674 4.815 -0.305) 5.107 4.269 ( -6.758 -5.637 1.690) 8.961 4.315 ( 3.924 1.527 -1.821) 4.587 4.525 ( -3.556 1.953 -2.216) 4.623 4.556 ( -6.385 3.773 -5.833) 9.435 4.870 ( 0.656 -0.068 -2.456) 2.543 4.908 ( 0.220 -0.539 -2.837) 2.896 5.033 ( 7.180 3.872 -1.345) 8.267 5.225 ( 3.597 0.867 -4.270) 5.650 5.344 ( 3.836 4.238 0.398) 5.730 5.578 ( 3.801 -0.989 -0.544) 3.965 5.597 ( -1.470 -6.794 0.725) 6.989 5.793 ( 4.298 -0.873 -2.353) 4.977 5.810 ( 5.231 -4.010 3.736) 7.576 6.042 ( -0.901 6.164 -0.540) 6.253 6.108 ( 4.842 5.795 2.923) 8.097 6.341 ( 1.212 -3.473 1.634) 4.025 6.458 ( -0.359 -4.992 -1.050) 5.114 6.641 ( 0.600 4.798 0.353) 4.848 6.705 ( -2.728 6.662 -1.573) 7.369 6.940 ( 6.351 -1.211 1.413) 6.618 6.949 ( 5.195 -0.511 2.373) 5.734 7.221 ( -1.893 2.641 1.562) 3.605 7.449 ( 1.164 -0.770 -2.138) 2.554 7.668 ( -0.410 -1.561 2.052) 2.610 7.740 ( 0.280 -2.808 2.933) 4.070 7.910 ( -0.999 -2.180 -1.530) 2.844 7.940 ( -2.905 -3.136 -2.122) 4.772 8.447 ( -0.020 2.818 2.283) 3.626 8.739 ( -3.542 -3.083 -8.614) 9.811 11.277 ( -0.766 0.847 1.056) 1.556 11.314 ( -0.029 -0.006 0.650) 0.651 13.027 ( -1.079 1.275 0.142) 1.676 13.108 ( -0.726 -1.250 -1.084) 1.807 16.390 ( 0.053 -0.914 -0.135) 0.925 16.411 ( 1.646 -1.450 0.319) 2.217 16.968 ( -1.604 1.906 1.630) 2.976 17.063 ( 1.914 -1.063 1.294) 2.543 17.251 ( 3.620 3.361 -2.015) 5.335 17.413 ( 4.780 -0.763 -3.073) 5.734 17.486 ( -0.284 2.433 0.776) 2.569 17.647 ( 0.987 -1.709 -3.301) 3.846 18.012 ( -4.627 2.687 3.253) 6.262 18.139 ( -2.883 -1.603 1.979) 3.847 ======================= Grid point 83 (41/112) ======================= q-point: ( 0.22 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 11.369 7.682 14.135) 19.700 1.721 ( 6.222 18.007 14.084) 23.692 1.983 ( 2.090 10.350 -15.416) 18.685 2.289 ( 8.782 -4.484 -14.548) 17.575 2.454 ( 3.141 -3.320 -0.755) 4.632 2.720 ( 0.876 -7.597 -1.239) 7.747 2.753 ( -2.041 -1.002 7.210) 7.560 2.922 ( 1.945 1.663 1.423) 2.928 3.068 ( 0.716 0.756 5.378) 5.478 3.185 ( -6.577 -4.404 -4.660) 9.185 3.356 ( -6.486 0.710 4.508) 7.931 3.431 ( -5.810 -3.721 0.040) 6.900 3.547 ( -5.760 -5.421 1.325) 8.020 3.741 ( -1.474 -1.585 3.437) 4.061 3.967 ( -3.516 -1.272 5.584) 6.721 4.078 ( -1.700 -4.553 4.492) 6.618 4.105 ( -4.829 -2.849 -0.803) 5.664 4.161 ( -4.060 -0.225 -4.826) 6.310 4.262 ( -4.075 -0.932 -0.803) 4.257 4.449 ( -2.110 3.170 0.610) 3.856 4.472 ( -0.335 -0.043 -1.527) 1.563 4.826 ( -0.699 2.788 -3.688) 4.676 4.882 ( 2.119 -0.367 -3.027) 3.713 5.151 ( 6.982 4.704 -1.155) 8.498 5.257 ( 7.239 2.555 -7.334) 10.617 5.329 ( -4.558 2.890 0.248) 5.403 5.551 ( 0.165 -2.563 0.863) 2.710 5.710 ( 5.198 -1.554 0.431) 5.443 5.819 ( 2.443 -0.187 -2.709) 3.652 5.925 ( 2.170 3.433 3.186) 5.162 6.045 ( 2.735 -0.282 -0.814) 2.867 6.211 ( 4.302 5.949 0.369) 7.351 6.397 ( 2.316 -3.553 1.279) 4.430 6.477 ( 1.021 -2.900 1.478) 3.411 6.630 ( 1.352 4.090 -1.339) 4.511 6.725 ( 3.447 2.567 2.465) 4.955 7.030 ( 4.907 -0.981 -2.863) 5.765 7.072 ( 3.647 -0.113 3.182) 4.841 7.208 ( -0.289 3.157 0.508) 3.211 7.453 ( 1.570 -1.536 -1.167) 2.487 7.692 ( 0.604 -1.926 2.027) 2.861 7.776 ( 0.353 -3.792 2.053) 4.326 7.850 ( -3.197 -2.499 -2.158) 4.596 7.873 ( -3.076 -2.018 -0.126) 3.681 8.429 ( -2.884 2.601 -1.291) 4.092 8.627 ( -1.817 -2.771 -1.904) 3.822 11.268 ( -1.283 0.975 0.509) 1.690 11.314 ( -0.542 -0.201 0.262) 0.635 13.009 ( -1.378 1.076 0.308) 1.775 13.070 ( -1.771 -0.402 -1.302) 2.235 16.392 ( 0.456 -0.215 -0.331) 0.603 16.445 ( 1.814 -1.865 0.106) 2.604 16.963 ( -0.973 2.207 1.387) 2.782 17.105 ( 1.797 -2.131 0.351) 2.810 17.300 ( 4.034 2.895 -1.792) 5.279 17.453 ( 2.908 0.765 -2.501) 3.911 17.510 ( 2.222 0.380 0.943) 2.444 17.634 ( 1.721 -0.346 -2.133) 2.762 17.966 ( -4.764 1.852 3.099) 5.977 18.106 ( -3.573 -1.216 1.800) 4.182 ======================= Grid point 84 (42/112) ======================= q-point: ( 0.33 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 1.912 8.089 -5.305) 9.861 1.941 ( 7.911 4.141 3.837) 9.719 2.051 ( 8.933 13.246 8.095) 17.910 2.299 ( 6.344 1.202 -6.046) 8.845 2.498 ( 5.671 -7.664 -0.343) 9.540 2.694 ( -2.568 -4.401 0.295) 5.103 2.814 ( -0.029 -2.400 2.677) 3.595 2.911 ( -2.768 -0.436 -4.215) 5.061 3.036 ( -5.333 -0.363 -1.982) 5.701 3.112 ( 0.439 -1.841 0.635) 1.996 3.299 ( -10.053 -2.111 9.252) 13.824 3.353 ( -5.187 -6.311 4.967) 9.561 3.459 ( -2.326 -0.035 -2.834) 3.666 3.743 ( -2.142 -6.337 0.144) 6.691 3.886 ( -5.772 0.620 -7.386) 9.394 3.972 ( -4.764 -0.666 3.654) 6.041 4.112 ( -1.775 -9.883 2.441) 10.334 4.149 ( 4.939 6.935 0.892) 8.561 4.236 ( 0.695 -5.241 -0.783) 5.344 4.426 ( -0.601 4.430 -2.574) 5.159 4.474 ( -0.857 0.483 3.281) 3.425 4.761 ( -1.528 -1.841 -3.620) 4.339 4.925 ( 4.817 3.576 -1.036) 6.088 5.202 ( -2.325 1.361 0.359) 2.718 5.279 ( 0.694 4.845 0.759) 4.953 5.304 ( 6.187 4.501 -3.499) 8.413 5.578 ( 0.562 4.635 1.153) 4.809 5.749 ( 1.214 -1.686 -1.920) 2.829 5.838 ( 2.327 -1.935 -0.993) 3.185 5.947 ( -1.025 9.174 0.617) 9.252 6.115 ( 4.161 -5.095 0.770) 6.623 6.275 ( 4.108 4.762 -1.223) 6.407 6.443 ( 1.572 0.241 -2.020) 2.571 6.475 ( -0.143 -0.903 0.926) 1.301 6.683 ( 2.888 1.630 1.369) 3.588 6.843 ( 5.298 -1.397 3.097) 6.294 7.034 ( 0.509 0.754 -3.094) 3.225 7.123 ( -0.085 0.901 0.831) 1.229 7.246 ( 3.374 1.150 0.603) 3.615 7.470 ( 1.463 -1.842 -0.538) 2.413 7.729 ( 0.820 -2.814 1.734) 3.405 7.777 ( -2.466 -1.927 -0.823) 3.236 7.799 ( -0.664 -3.384 0.076) 3.449 7.824 ( -2.364 -2.255 1.380) 3.547 8.358 ( -2.169 3.489 -1.702) 4.447 8.600 ( -1.633 -3.205 0.835) 3.693 11.248 ( -1.187 0.954 0.050) 1.524 11.304 ( -0.583 -0.473 -0.301) 0.809 12.989 ( -1.144 0.838 0.185) 1.431 13.027 ( -1.441 0.126 -0.962) 1.737 16.398 ( 0.547 0.303 -0.029) 0.626 16.472 ( 1.254 -2.054 -0.175) 2.413 16.967 ( -0.746 2.357 1.761) 3.036 17.137 ( 1.567 -2.587 0.437) 3.056 17.331 ( 0.994 1.958 -0.366) 2.226 17.466 ( 1.885 1.495 -1.563) 2.869 17.560 ( 2.438 -0.592 0.044) 2.510 17.663 ( 3.060 1.810 -0.806) 3.646 17.923 ( -2.992 0.402 0.903) 3.151 18.059 ( -3.700 -0.884 0.812) 3.890 ======================= Grid point 85 (43/112) ======================= q-point: ( 0.44 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 2.886 5.413 -1.847) 6.407 2.054 ( 6.459 4.295 -1.348) 7.873 2.165 ( -5.045 3.477 1.846) 6.399 2.414 ( 9.180 5.469 0.033) 10.686 2.585 ( 0.412 -5.141 1.798) 5.462 2.662 ( -3.005 0.864 -1.615) 3.519 2.769 ( -0.705 -1.155 -0.572) 1.469 2.826 ( 1.682 -1.289 -4.008) 4.533 2.944 ( -3.527 -3.986 -2.000) 5.686 3.102 ( -0.636 -1.301 -1.354) 1.983 3.261 ( -8.059 -1.979 11.351) 14.060 3.327 ( -5.333 -1.578 3.280) 6.457 3.446 ( 1.742 -3.689 3.555) 5.411 3.713 ( -0.102 -9.749 0.268) 9.753 3.761 ( 1.247 3.953 -7.238) 8.341 3.955 ( -1.483 -3.128 1.943) 3.970 4.085 ( -3.394 -11.163 0.617) 11.684 4.233 ( 1.817 2.733 -2.477) 4.112 4.255 ( 1.708 -0.377 2.866) 3.357 4.357 ( -0.654 4.222 -6.668) 7.919 4.478 ( -1.478 3.017 -0.694) 3.430 4.717 ( 1.637 -3.632 -2.727) 4.828 5.006 ( 4.200 2.806 1.476) 5.263 5.152 ( -4.035 -1.850 2.660) 5.175 5.319 ( 1.119 9.845 1.134) 9.973 5.387 ( 3.969 6.371 2.550) 7.928 5.590 ( -1.251 7.513 2.470) 8.007 5.750 ( 1.772 -2.730 -1.797) 3.718 5.861 ( 1.369 -3.521 -0.536) 3.816 5.938 ( -0.917 9.498 1.326) 9.634 6.160 ( 1.431 -4.417 -2.177) 5.128 6.322 ( 2.064 6.802 -0.748) 7.148 6.418 ( 1.208 -2.094 -3.597) 4.334 6.493 ( -0.217 -2.796 -0.107) 2.806 6.735 ( 0.884 3.088 1.583) 3.581 6.905 ( -0.139 -1.201 -1.965) 2.307 7.023 ( 0.781 0.952 -0.237) 1.253 7.126 ( 0.399 0.110 1.032) 1.112 7.306 ( 1.710 0.355 1.685) 2.427 7.488 ( 0.950 -1.796 -0.134) 2.036 7.740 ( -0.718 -2.145 -0.392) 2.295 7.745 ( -2.227 -1.749 1.462) 3.187 7.771 ( -0.203 -1.645 0.445) 1.716 7.829 ( -0.146 -4.176 0.439) 4.202 8.333 ( 0.187 3.287 0.553) 3.338 8.576 ( -1.501 -3.209 -0.413) 3.567 11.233 ( -0.457 0.989 -0.092) 1.094 11.290 ( -0.167 -0.495 -0.850) 0.998 12.977 ( -0.495 0.775 0.124) 0.928 13.005 ( -0.159 0.285 -0.370) 0.493 16.409 ( 0.265 0.441 0.552) 0.755 16.485 ( 0.548 -2.004 -0.261) 2.094 16.978 ( -0.891 2.307 2.525) 3.534 17.167 ( 0.758 -3.241 1.070) 3.496 17.341 ( -0.047 2.039 1.607) 2.596 17.487 ( 1.618 1.314 -0.154) 2.090 17.590 ( 1.092 -0.194 -0.529) 1.228 17.694 ( 1.287 3.514 -0.667) 3.802 17.884 ( -0.854 -1.131 -2.119) 2.549 18.000 ( -2.583 -0.753 -1.191) 2.943 ======================= Grid point 86 (44/112) ======================= q-point: (-0.44 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -5.478 6.909 -3.380) 9.443 2.001 ( -8.745 4.224 -3.323) 10.265 2.188 ( 3.045 5.527 6.840) 9.306 2.395 ( -1.646 3.683 -3.174) 5.133 2.576 ( -3.657 -6.133 1.591) 7.316 2.693 ( 5.548 -1.292 1.065) 5.795 2.831 ( -4.567 -3.881 0.436) 6.009 2.841 ( 12.087 -1.358 -7.139) 14.103 2.872 ( 2.690 0.645 -2.618) 3.809 3.082 ( 0.995 -2.064 -2.915) 3.708 3.276 ( -6.676 0.348 6.513) 9.333 3.287 ( -4.141 -0.064 11.090) 11.838 3.533 ( 1.081 -3.861 5.061) 6.457 3.687 ( -1.413 0.497 -4.166) 4.427 3.790 ( 6.394 -4.599 -1.380) 7.996 3.957 ( 0.571 -7.115 -0.529) 7.157 4.021 ( -2.851 -9.756 -0.964) 10.210 4.180 ( -4.391 7.053 -4.295) 9.353 4.221 ( -0.509 -3.931 -3.035) 4.992 4.369 ( 4.637 4.073 -2.739) 6.752 4.426 ( -0.598 1.438 -0.059) 1.558 4.760 ( 5.917 -1.554 -2.067) 6.458 5.067 ( -0.906 2.886 2.008) 3.630 5.148 ( 0.118 -1.707 2.970) 3.427 5.345 ( -0.643 10.220 3.468) 10.811 5.471 ( 0.859 7.927 2.900) 8.485 5.608 ( -1.276 3.208 4.507) 5.677 5.763 ( 1.318 -3.438 -0.744) 3.756 5.874 ( 0.157 -2.069 0.238) 2.089 5.936 ( -1.803 8.418 1.175) 8.689 6.130 ( -0.945 -2.185 -1.954) 3.080 6.298 ( -1.348 6.840 -4.525) 8.312 6.414 ( 1.315 -4.619 -1.910) 5.169 6.460 ( -1.162 -3.270 -2.683) 4.386 6.745 ( -1.876 3.403 1.743) 4.259 6.836 ( -3.441 0.926 -2.780) 4.520 7.027 ( -0.113 1.196 0.520) 1.309 7.156 ( 0.809 -1.771 0.246) 1.963 7.339 ( -1.378 0.481 3.347) 3.652 7.489 ( -0.576 -1.341 -0.581) 1.571 7.713 ( -1.918 -1.319 0.214) 2.338 7.754 ( 2.042 -1.626 0.664) 2.693 7.786 ( 0.094 -2.700 0.497) 2.747 7.821 ( -0.315 -3.646 0.413) 3.682 8.376 ( 2.139 2.258 2.654) 4.089 8.547 ( 0.459 -2.944 -1.974) 3.574 11.231 ( 0.314 1.087 -0.109) 1.137 11.280 ( 0.485 -0.204 -1.203) 1.313 12.976 ( 0.233 0.893 0.129) 0.932 13.012 ( 1.284 0.175 -0.173) 1.307 16.418 ( -0.275 0.171 0.955) 1.008 16.483 ( -0.283 -1.826 -0.413) 1.894 16.993 ( -1.384 2.083 3.180) 4.046 17.181 ( -0.919 -3.493 1.382) 3.867 17.379 ( 0.941 2.202 3.497) 4.238 17.511 ( 0.271 2.271 0.795) 2.422 17.575 ( -1.310 -0.058 -1.526) 2.012 17.699 ( -0.055 2.042 0.214) 2.054 17.839 ( -0.122 -0.589 -3.830) 3.877 17.956 ( 0.894 -0.752 -3.408) 3.603 ======================= Grid point 87 (45/112) ======================= q-point: (-0.33 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -13.515 12.840 -5.802) 19.524 1.796 ( -14.221 13.282 0.324) 19.462 2.294 ( 4.001 4.304 5.653) 8.154 2.485 ( 6.885 -2.515 1.721) 7.529 2.549 ( -4.187 -10.997 0.891) 11.801 2.630 ( -8.849 6.344 -1.164) 10.951 2.794 ( 1.418 4.299 -2.267) 5.063 2.865 ( -0.422 -4.174 -1.883) 4.599 2.998 ( 10.973 -2.211 -4.227) 11.965 3.098 ( 4.269 -1.702 -0.941) 4.691 3.274 ( -1.427 0.696 7.278) 7.449 3.362 ( -1.062 -1.784 8.453) 8.704 3.586 ( -2.077 -3.429 1.756) 4.377 3.600 ( 1.313 4.225 -4.335) 6.194 3.820 ( -1.286 -10.905 -3.085) 11.405 3.963 ( 1.713 -10.487 -1.974) 10.808 3.986 ( 1.246 -4.339 -2.600) 5.210 4.113 ( -0.616 -5.905 -7.811) 9.811 4.178 ( 3.808 6.207 2.715) 7.772 4.404 ( 3.781 4.767 0.313) 6.092 4.513 ( 5.343 1.956 3.182) 6.519 4.843 ( 5.595 0.695 -1.873) 5.941 5.053 ( -2.804 1.086 2.822) 4.124 5.173 ( -0.255 2.621 -0.092) 2.635 5.385 ( -1.027 6.598 4.698) 8.165 5.464 ( -2.304 5.773 -1.420) 6.376 5.607 ( -6.113 -1.595 2.882) 6.944 5.785 ( 1.259 -2.654 0.922) 3.079 5.846 ( -2.745 0.384 -1.015) 2.952 5.911 ( -2.104 1.667 1.290) 2.978 6.107 ( -1.587 3.917 1.437) 4.464 6.192 ( -2.825 4.516 -6.161) 8.144 6.385 ( -1.671 -3.446 -1.618) 4.158 6.425 ( 1.166 -4.046 -3.108) 5.233 6.717 ( -3.233 3.133 0.698) 4.556 6.753 ( -3.835 3.435 0.676) 5.193 7.024 ( -1.368 1.306 -0.578) 1.978 7.136 ( -2.466 -2.527 -0.683) 3.596 7.335 ( -4.323 0.233 4.135) 5.986 7.466 ( -0.092 -1.074 -1.478) 1.829 7.681 ( -1.910 -0.470 0.145) 1.973 7.754 ( -1.922 -1.768 -0.740) 2.714 7.831 ( 3.979 -3.369 1.561) 5.442 7.856 ( 2.426 -3.011 1.404) 4.114 8.421 ( 0.087 1.263 0.051) 1.267 8.593 ( 6.600 -2.288 1.073) 7.067 11.237 ( 0.596 1.043 -0.326) 1.245 11.279 ( 0.979 0.103 -1.101) 1.477 12.987 ( 0.875 1.088 0.129) 1.402 13.038 ( 2.134 -0.037 -0.734) 2.257 16.420 ( -0.844 -0.392 0.978) 1.350 16.464 ( -1.222 -1.571 -0.704) 2.112 17.000 ( -2.132 1.957 3.148) 4.276 17.172 ( -1.809 -2.832 1.247) 3.584 17.426 ( -2.446 0.701 3.883) 4.643 17.499 ( -1.580 3.206 -0.381) 3.595 17.535 ( -0.804 -0.117 -0.947) 1.247 17.688 ( -0.779 -1.961 -1.187) 2.421 17.828 ( 2.730 2.658 -0.571) 3.853 17.953 ( 3.888 -0.370 -4.072) 5.642 ======================= Grid point 88 (46/112) ======================= q-point: (-0.22 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -10.949 19.806 0.229) 22.632 1.555 ( -14.078 21.115 0.905) 25.394 2.234 ( -19.039 18.000 -6.123) 26.906 2.465 ( 5.702 1.703 4.654) 7.555 2.537 ( -1.342 -9.490 -1.181) 9.657 2.602 ( -0.575 2.595 1.887) 3.260 2.779 ( -0.510 -2.392 -2.580) 3.555 2.858 ( -2.683 -1.021 4.850) 5.636 3.142 ( 7.147 0.329 -3.197) 7.836 3.166 ( 6.899 -3.986 2.204) 8.267 3.389 ( 2.381 -6.091 7.506) 9.955 3.443 ( 1.999 -3.565 2.781) 4.943 3.567 ( 2.857 -2.939 -0.758) 4.168 3.616 ( 2.666 -0.755 -3.762) 4.673 3.739 ( -1.670 -10.035 -1.063) 10.229 3.945 ( -0.623 -5.912 -3.390) 6.844 4.032 ( 6.111 -4.684 -2.693) 8.157 4.047 ( 5.577 -6.630 -3.425) 9.316 4.335 ( 4.892 4.870 4.291) 8.128 4.495 ( 5.525 6.056 1.805) 8.394 4.638 ( 4.860 3.573 2.100) 6.387 4.880 ( 0.900 2.748 -2.154) 3.606 5.043 ( -2.328 -0.848 1.624) 2.963 5.141 ( -1.899 3.404 -0.888) 3.998 5.331 ( -5.427 1.705 -6.046) 8.301 5.402 ( -6.879 0.953 3.337) 7.705 5.505 ( -2.752 -0.553 -1.190) 3.049 5.755 ( -2.217 -2.482 -4.241) 5.392 5.819 ( -0.442 -2.106 -1.297) 2.512 5.891 ( -5.770 -0.691 6.781) 8.931 6.046 ( -3.481 4.151 -4.436) 7.002 6.131 ( -1.745 6.926 3.193) 7.823 6.361 ( -0.139 -0.414 0.441) 0.621 6.416 ( 1.656 -5.801 -2.211) 6.425 6.661 ( -2.897 3.719 0.258) 4.721 6.728 ( -1.498 4.212 1.897) 4.856 6.939 ( -5.953 1.145 -2.377) 6.512 7.080 ( -4.053 -3.097 0.496) 5.125 7.293 ( -5.155 0.066 3.534) 6.250 7.461 ( 1.336 -0.359 -1.572) 2.094 7.656 ( -1.492 -0.333 0.670) 1.669 7.709 ( -2.112 -1.162 -0.350) 2.436 7.908 ( 2.512 -3.075 0.721) 4.036 7.926 ( 3.935 -3.618 1.175) 5.473 8.401 ( -0.308 3.187 -1.928) 3.737 8.762 ( 9.430 -3.602 2.068) 10.304 11.244 ( 0.632 0.831 -0.264) 1.077 11.285 ( 0.817 0.106 -0.734) 1.104 13.010 ( 1.477 1.111 0.349) 1.881 13.062 ( 2.226 -0.130 -1.708) 2.809 16.411 ( -1.249 -1.029 0.543) 1.707 16.430 ( -1.586 -1.229 -0.568) 2.086 16.993 ( -2.474 1.982 2.518) 4.048 17.149 ( -2.704 -2.505 1.230) 3.886 17.358 ( -6.658 0.211 0.536) 6.683 17.465 ( -1.559 0.277 -1.443) 2.142 17.524 ( -1.240 0.924 0.842) 1.761 17.670 ( 1.665 -2.442 -2.654) 3.972 17.902 ( 4.339 3.469 1.607) 5.783 18.002 ( 4.967 0.639 -0.551) 5.038 ======================= Grid point 89 (47/112) ======================= q-point: (-0.11 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -7.005 23.602 7.058) 25.612 1.329 ( -8.648 27.460 -5.510) 29.312 1.927 ( -14.660 29.252 10.194) 34.271 2.434 ( -2.727 -1.425 -6.517) 7.207 2.558 ( 2.897 -6.386 -4.670) 8.425 2.663 ( 0.412 4.663 8.393) 9.610 2.738 ( -0.911 -3.339 -2.018) 4.007 2.840 ( -2.734 -4.228 -0.316) 5.045 3.144 ( -1.206 1.571 -1.654) 2.581 3.297 ( 4.349 -5.899 -2.687) 7.806 3.453 ( -0.706 -9.856 0.537) 9.896 3.537 ( 3.032 -12.804 5.179) 14.141 3.604 ( 3.012 0.792 0.988) 3.268 3.658 ( -0.065 -1.227 6.396) 6.513 3.808 ( 7.600 -7.722 0.958) 10.877 3.946 ( 7.266 -6.581 -2.701) 10.169 4.130 ( 8.064 -2.168 -2.679) 8.770 4.177 ( 7.127 0.987 2.952) 7.777 4.367 ( -3.466 1.858 1.072) 4.076 4.612 ( 3.418 6.861 1.167) 7.754 4.738 ( 5.729 3.652 0.697) 6.829 4.812 ( -3.164 2.458 -4.654) 6.141 4.986 ( -4.703 0.901 -0.298) 4.798 5.079 ( -6.494 -2.255 -6.577) 9.514 5.152 ( -0.537 3.469 -1.857) 3.971 5.353 ( -2.815 -0.482 1.800) 3.376 5.475 ( 0.481 -2.078 -1.634) 2.687 5.661 ( -2.763 -0.788 -2.706) 3.947 5.771 ( -2.140 -4.645 -1.477) 5.323 5.842 ( -8.412 -4.758 5.016) 10.889 5.976 ( -0.533 6.009 -0.816) 6.087 6.135 ( -2.590 8.600 2.581) 9.345 6.363 ( -0.297 0.682 -0.918) 1.182 6.442 ( 2.556 -5.541 0.348) 6.112 6.653 ( 1.113 3.534 1.578) 4.027 6.726 ( -0.768 2.277 -0.239) 2.415 6.812 ( -4.475 2.566 -0.938) 5.243 6.999 ( -7.201 -3.604 2.238) 8.358 7.253 ( -3.087 0.970 1.817) 3.711 7.462 ( 1.191 0.416 -2.074) 2.428 7.642 ( -1.064 -2.013 0.825) 2.422 7.690 ( -1.113 0.335 2.016) 2.327 7.939 ( 1.348 -2.725 -1.075) 3.224 7.990 ( 2.193 -3.908 -0.005) 4.481 8.383 ( 0.398 6.385 -0.694) 6.435 8.912 ( 7.102 -6.411 -3.249) 10.104 11.254 ( 0.399 0.659 0.567) 0.957 11.290 ( 0.548 -0.011 -0.181) 0.577 13.041 ( 1.165 0.543 0.264) 1.312 13.078 ( 2.432 -0.134 -1.578) 2.902 16.391 ( -0.829 -1.063 -0.311) 1.383 16.407 ( -1.108 -1.415 0.398) 1.841 16.980 ( -1.922 1.861 2.032) 3.360 17.096 ( -5.818 -2.586 2.057) 6.690 17.262 ( -2.849 2.748 -1.415) 4.203 17.418 ( -1.162 -1.196 -2.183) 2.747 17.504 ( -1.045 2.012 -0.349) 2.294 17.672 ( 2.095 -2.928 -3.071) 4.732 17.990 ( 3.206 3.185 1.451) 4.746 18.096 ( 3.238 -0.051 3.140) 4.511 ======================= Grid point 90 (48/112) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -1.827 22.422 -0.434) 22.501 1.788 ( 4.953 20.814 -2.339) 21.522 2.065 ( -5.606 -11.343 3.283) 13.072 2.266 ( 0.780 -14.204 -4.122) 14.811 2.531 ( 2.910 6.849 -3.685) 8.304 2.628 ( 0.405 -2.925 -13.112) 13.441 2.762 ( 0.798 5.319 4.757) 7.181 2.812 ( -3.035 2.220 -1.065) 3.908 3.111 ( 0.711 3.210 1.464) 3.599 3.241 ( -0.409 -8.973 4.695) 10.136 3.342 ( -4.557 -2.880 7.889) 9.555 3.367 ( -0.175 -1.851 4.935) 5.273 3.622 ( -2.953 1.117 3.220) 4.509 3.694 ( -1.348 -5.675 5.540) 8.044 3.851 ( 2.381 1.084 2.088) 3.347 3.929 ( 3.473 -5.758 0.138) 6.726 4.237 ( 2.306 1.835 -0.712) 3.031 4.286 ( -1.558 -3.128 1.624) 3.854 4.383 ( -1.360 8.555 0.437) 8.673 4.536 ( -2.339 -6.249 -1.536) 6.847 4.808 ( -0.883 5.105 -5.724) 7.720 4.868 ( -0.960 -0.891 -3.649) 3.877 4.958 ( 1.896 1.492 -2.471) 3.454 4.983 ( 7.389 0.578 -5.169) 9.036 5.234 ( 1.397 2.753 1.562) 3.460 5.287 ( -0.475 -2.170 0.171) 2.228 5.471 ( 2.095 1.465 -0.306) 2.575 5.564 ( -4.882 -7.620 1.437) 9.163 5.651 ( 0.916 0.998 0.881) 1.616 5.692 ( 1.519 -2.966 0.863) 3.442 6.149 ( 1.929 7.371 0.185) 7.621 6.233 ( -2.569 5.967 -0.982) 6.570 6.277 ( -0.314 -4.461 -2.257) 5.009 6.358 ( -1.739 -6.350 0.573) 6.609 6.757 ( -0.543 4.826 1.595) 5.112 6.807 ( 2.472 1.345 2.913) 4.050 6.837 ( 2.673 0.147 0.447) 2.714 6.863 ( -3.898 -1.504 1.190) 4.344 7.313 ( -0.517 5.958 0.604) 6.011 7.426 ( 0.231 -4.186 -0.685) 4.248 7.625 ( -0.048 1.075 0.573) 1.219 7.674 ( -0.737 -2.719 1.008) 2.992 7.906 ( 0.026 -0.228 -1.165) 1.187 7.930 ( -0.458 -2.464 -1.019) 2.705 8.549 ( 0.296 8.541 -1.209) 8.631 8.732 ( -0.291 -9.399 -4.750) 10.535 11.284 ( 0.143 0.757 1.056) 1.307 11.297 ( 0.349 -0.492 0.762) 0.972 13.061 ( 0.056 0.942 -0.175) 0.960 13.082 ( 0.681 -1.252 -0.142) 1.433 16.370 ( 0.194 -0.374 0.066) 0.426 16.374 ( -0.092 -0.736 0.171) 0.761 17.007 ( -1.652 1.339 2.002) 2.921 17.027 ( -1.859 -0.722 2.137) 2.923 17.301 ( 1.404 3.279 -2.340) 4.266 17.357 ( 1.625 -2.301 -2.684) 3.891 17.545 ( 0.098 3.081 -0.462) 3.117 17.608 ( 0.766 -3.118 -1.507) 3.547 18.085 ( -0.624 2.311 1.565) 2.860 18.122 ( -0.688 -1.527 1.610) 2.323 ======================= Grid point 91 (49/112) ======================= q-point: ( 0.11 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.751 19.391 2.837) 20.424 1.907 ( 7.989 18.862 2.398) 20.624 2.042 ( 0.812 -13.896 0.232) 13.922 2.248 ( 2.873 -5.909 -6.192) 9.028 2.465 ( 0.421 0.509 -12.950) 12.967 2.538 ( 2.774 -5.509 -6.074) 8.657 2.743 ( -1.860 4.014 0.483) 4.450 2.846 ( 1.403 -3.625 3.129) 4.990 3.145 ( -1.409 7.928 4.423) 9.187 3.228 ( -4.830 -4.359 2.748) 7.063 3.375 ( -5.707 -2.793 9.233) 11.208 3.412 ( -2.089 -2.201 4.031) 5.046 3.567 ( -3.905 3.440 -0.505) 5.228 3.672 ( -5.740 -6.877 1.803) 9.137 3.908 ( 0.150 0.932 6.586) 6.653 3.970 ( 1.697 -4.478 3.271) 5.799 4.174 ( -7.949 -0.115 2.862) 8.449 4.200 ( -9.323 -2.064 2.024) 9.761 4.422 ( 2.737 7.439 -1.273) 8.028 4.535 ( 0.935 -2.589 -2.910) 4.006 4.651 ( -6.142 5.599 -6.581) 10.601 4.770 ( -3.220 -6.230 -4.275) 8.213 4.981 ( 3.547 5.572 -2.735) 7.149 5.072 ( 9.012 -1.677 -4.360) 10.151 5.277 ( 4.077 4.266 -2.412) 6.375 5.393 ( 6.419 -4.570 3.080) 8.460 5.462 ( -3.551 0.528 -1.793) 4.013 5.538 ( 4.744 -3.739 -0.086) 6.041 5.744 ( 6.126 -0.199 1.959) 6.435 5.774 ( 5.854 -1.951 -0.104) 6.171 6.163 ( -1.771 5.622 -1.754) 6.150 6.220 ( 3.348 5.659 3.247) 7.333 6.265 ( 0.467 -4.213 -0.672) 4.292 6.345 ( 0.757 -6.255 0.329) 6.309 6.746 ( -1.308 4.636 0.762) 4.877 6.791 ( -3.361 0.791 0.601) 3.505 6.930 ( 6.750 0.592 0.274) 6.781 6.943 ( 5.654 -0.394 2.586) 6.230 7.313 ( -0.823 6.099 1.000) 6.235 7.417 ( -0.149 -3.325 -1.029) 3.484 7.640 ( 0.713 -0.327 0.802) 1.122 7.674 ( -0.096 -3.225 0.584) 3.279 7.878 ( -1.859 -0.671 -0.833) 2.145 7.889 ( -2.547 -1.713 -1.010) 3.231 8.528 ( -1.256 5.195 -0.778) 5.401 8.642 ( -2.628 -5.906 -4.886) 8.103 11.294 ( -0.499 0.861 0.969) 1.389 11.308 ( -0.217 -0.549 0.776) 0.975 13.053 ( -0.862 1.313 -0.038) 1.571 13.080 ( -0.627 -1.458 -0.371) 1.630 16.379 ( 0.724 -0.119 0.003) 0.734 16.387 ( 1.253 -0.905 0.115) 1.549 17.006 ( -0.990 1.842 1.697) 2.693 17.038 ( 0.140 -1.440 1.610) 2.164 17.318 ( 3.737 3.288 -2.326) 5.494 17.377 ( 4.210 -2.552 -2.638) 5.586 17.544 ( 0.230 3.099 -0.322) 3.124 17.602 ( 0.707 -2.693 -1.469) 3.148 18.065 ( -3.714 2.517 2.050) 4.933 18.108 ( -2.946 -1.759 1.831) 3.889 ======================= Grid point 92 (50/112) ======================= q-point: ( 0.22 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 9.228 11.900 5.203) 15.932 2.047 ( -1.014 9.191 3.297) 9.817 2.116 ( 11.264 -6.700 -3.005) 13.446 2.199 ( 2.834 7.084 -5.899) 9.644 2.358 ( 0.572 -2.805 -6.037) 6.682 2.526 ( 5.076 -11.635 -5.316) 13.762 2.771 ( 1.186 3.984 4.213) 5.918 2.890 ( 1.951 -6.064 0.477) 6.388 3.128 ( -6.030 4.375 3.431) 8.202 3.164 ( -4.945 1.236 -0.730) 5.149 3.335 ( -8.428 -2.132 6.206) 10.682 3.346 ( -9.247 -3.715 3.833) 10.677 3.529 ( -0.423 2.902 -0.458) 2.968 3.628 ( -1.491 -6.993 0.750) 7.189 3.981 ( -2.412 0.728 1.911) 3.162 4.004 ( -1.315 -1.535 1.096) 2.299 4.062 ( -9.500 0.941 6.346) 11.463 4.129 ( -1.860 -3.669 3.193) 5.207 4.347 ( -4.931 6.440 -3.378) 8.786 4.446 ( -3.957 -3.020 -2.524) 5.581 4.561 ( 0.870 7.193 -1.817) 7.470 4.716 ( 0.113 -8.051 -3.008) 8.596 5.020 ( 3.554 9.425 -1.469) 10.179 5.180 ( 6.094 -4.183 -1.472) 7.537 5.296 ( 5.402 1.806 -7.360) 9.307 5.341 ( -1.161 -1.957 -4.750) 5.267 5.559 ( 5.583 4.312 3.389) 7.826 5.657 ( 6.036 -3.973 1.785) 7.443 5.823 ( 2.704 1.194 -1.831) 3.477 5.878 ( 4.943 -4.054 1.068) 6.482 6.131 ( 0.240 6.593 -1.302) 6.725 6.258 ( 0.850 -4.097 -1.830) 4.567 6.346 ( 4.880 1.798 4.165) 6.663 6.411 ( 3.521 -3.465 3.091) 5.827 6.730 ( -0.127 4.283 -0.667) 4.336 6.770 ( 0.164 0.570 1.304) 1.433 7.032 ( 5.044 1.205 -1.211) 5.325 7.060 ( 4.616 -1.147 1.325) 4.937 7.305 ( -0.883 5.960 0.551) 6.051 7.405 ( -0.030 -3.562 -0.521) 3.600 7.662 ( 1.096 -0.594 0.315) 1.285 7.692 ( 1.250 -3.669 0.690) 3.937 7.821 ( -3.378 -0.340 -0.572) 3.443 7.835 ( -3.167 -1.543 0.215) 3.530 8.487 ( -2.429 3.325 -0.967) 4.230 8.559 ( -2.230 -3.780 -1.511) 4.642 11.287 ( -1.074 1.002 0.337) 1.507 11.305 ( -0.807 -0.711 0.222) 1.099 13.032 ( -1.378 1.216 -0.105) 1.841 13.055 ( -1.456 -1.042 -0.635) 1.900 16.394 ( 1.080 0.489 -0.201) 1.202 16.412 ( 1.540 -1.371 -0.089) 2.063 17.011 ( -0.568 2.511 1.466) 2.963 17.060 ( 0.420 -2.399 1.167) 2.700 17.361 ( 3.652 3.224 -2.105) 5.307 17.423 ( 3.962 -2.859 -2.512) 5.494 17.553 ( 1.463 3.022 -0.092) 3.358 17.608 ( 2.080 -2.263 -1.018) 3.238 18.018 ( -4.430 3.005 2.171) 5.777 18.072 ( -3.734 -2.242 1.975) 4.783 ======================= Grid point 93 (51/112) ======================= q-point: ( 0.33 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.278 5.636 -4.337) 7.117 2.023 ( 3.138 1.711 -1.253) 3.788 2.223 ( 0.926 2.011 3.431) 4.083 2.295 ( 10.452 -2.351 0.088) 10.713 2.417 ( 7.621 4.883 2.184) 9.311 2.570 ( 3.712 -7.359 -1.453) 8.370 2.845 ( -0.147 5.040 4.017) 6.447 2.929 ( 2.597 0.838 -2.495) 3.698 3.025 ( -7.729 -2.308 -1.842) 8.274 3.060 ( -2.385 -3.644 -1.517) 4.611 3.245 ( -5.929 -1.047 4.459) 7.492 3.267 ( -8.200 -2.228 6.676) 10.806 3.502 ( -2.785 3.255 -0.468) 4.309 3.588 ( -4.032 -6.392 -0.033) 7.558 3.886 ( -4.957 -0.185 -3.477) 6.058 3.934 ( -3.348 -4.981 -0.018) 6.001 4.027 ( -4.441 3.386 2.078) 5.959 4.112 ( -1.699 -4.663 1.060) 5.075 4.330 ( 4.074 7.530 0.289) 8.566 4.443 ( 2.625 -3.273 0.943) 4.300 4.547 ( -1.112 5.916 -0.977) 6.098 4.664 ( -2.123 -5.954 -3.019) 7.006 5.048 ( 0.451 7.276 0.461) 7.304 5.172 ( -4.721 -4.397 1.237) 6.569 5.340 ( 8.254 2.788 -4.126) 9.640 5.380 ( 9.416 0.505 -3.764) 10.153 5.670 ( 3.294 4.018 1.685) 5.462 5.738 ( 2.248 -1.301 -0.152) 2.602 5.820 ( 0.052 3.216 -1.752) 3.662 5.958 ( 2.651 -8.219 1.734) 8.808 6.126 ( 0.382 7.727 -1.196) 7.829 6.262 ( 2.301 -4.902 -1.991) 5.770 6.445 ( 2.540 1.169 1.084) 2.999 6.475 ( 0.173 -0.976 1.161) 1.526 6.761 ( 3.096 4.503 1.421) 5.646 6.823 ( 3.329 -1.564 1.919) 4.148 7.066 ( 1.311 2.511 -1.894) 3.407 7.115 ( 1.008 -1.846 -0.290) 2.124 7.310 ( 0.963 4.919 0.520) 5.039 7.407 ( 0.550 -4.300 0.129) 4.337 7.687 ( 1.449 -0.446 0.141) 1.523 7.722 ( 1.182 -3.554 0.492) 3.778 7.766 ( -2.679 0.385 0.407) 2.737 7.786 ( -3.041 -1.541 0.674) 3.475 8.435 ( -2.084 4.199 -0.712) 4.741 8.522 ( -1.912 -4.419 0.451) 4.836 11.269 ( -1.008 1.104 -0.159) 1.504 11.290 ( -0.798 -0.910 -0.279) 1.242 13.007 ( -1.170 0.926 -0.133) 1.498 13.023 ( -1.278 -0.551 -0.542) 1.493 16.410 ( 0.957 0.889 -0.121) 1.312 16.434 ( 1.191 -1.613 -0.195) 2.015 17.020 ( -0.529 2.971 1.790) 3.508 17.081 ( 0.259 -3.031 1.420) 3.357 17.382 ( 1.101 3.078 -0.894) 3.389 17.444 ( 1.623 -2.879 -1.507) 3.632 17.594 ( 3.336 3.195 -0.584) 4.656 17.653 ( 4.110 -2.306 -1.033) 4.825 17.966 ( -3.817 3.233 0.926) 5.087 18.026 ( -3.679 -2.460 0.945) 4.526 ======================= Grid point 94 (52/112) ======================= q-point: ( 0.44 0.43 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 1.163 4.922 -1.389) 5.245 2.041 ( 2.244 -5.302 -1.167) 5.875 2.269 ( -1.315 8.217 1.274) 8.418 2.441 ( 1.643 -7.952 2.386) 8.463 2.542 ( 4.607 5.395 0.558) 7.116 2.627 ( 4.130 -3.126 -0.566) 5.211 2.799 ( -1.515 3.406 -6.031) 7.090 2.862 ( -5.006 -1.630 -3.285) 6.205 2.910 ( -1.076 5.373 -1.899) 5.800 3.052 ( -0.283 -5.898 0.721) 5.949 3.235 ( -5.032 0.859 9.820) 11.068 3.288 ( 0.819 -2.826 5.109) 5.895 3.450 ( -2.395 2.774 2.266) 4.309 3.528 ( -2.625 -6.441 2.327) 7.334 3.796 ( -0.244 0.856 -4.251) 4.343 3.881 ( -1.672 -7.554 -2.023) 7.997 3.992 ( -2.403 5.085 2.023) 5.977 4.113 ( -0.842 -6.421 1.996) 6.777 4.408 ( 5.232 6.571 -2.063) 8.649 4.442 ( -1.277 3.311 -5.909) 6.893 4.525 ( -1.463 1.514 -0.694) 2.217 4.602 ( 1.050 -6.461 -1.519) 6.720 5.072 ( 0.793 3.200 2.435) 4.099 5.122 ( -3.103 -1.854 2.405) 4.341 5.456 ( 6.180 4.298 1.406) 7.658 5.491 ( 4.415 3.136 0.701) 5.461 5.701 ( 0.978 -0.380 -1.787) 2.073 5.759 ( 0.828 -1.803 -0.134) 1.989 5.801 ( -0.523 7.436 -0.222) 7.457 5.996 ( -0.459 -8.602 0.758) 8.648 6.124 ( 0.955 7.476 -0.341) 7.544 6.280 ( 2.011 -7.059 -1.766) 7.549 6.452 ( -0.306 2.162 -2.572) 3.374 6.470 ( -0.419 -0.114 -1.102) 1.185 6.826 ( 0.918 4.400 2.151) 4.983 6.885 ( 0.951 -1.522 0.269) 1.814 7.058 ( 0.430 2.549 -0.859) 2.724 7.109 ( -0.120 -1.996 -0.410) 2.041 7.343 ( 1.102 3.551 1.535) 4.023 7.425 ( 0.738 -4.103 0.862) 4.257 7.705 ( 0.003 -0.293 0.216) 0.364 7.726 ( -1.258 -1.269 0.561) 1.873 7.747 ( -0.512 -0.680 0.466) 0.971 7.758 ( -0.467 -2.119 0.278) 2.188 8.408 ( -0.483 4.225 0.085) 4.254 8.496 ( -1.274 -4.525 -0.091) 4.702 11.255 ( -0.301 1.134 -0.261) 1.202 11.276 ( -0.211 -0.926 -0.532) 1.088 12.993 ( -0.381 0.779 -0.004) 0.867 13.004 ( -0.260 -0.332 -0.199) 0.466 16.422 ( 0.444 0.972 0.184) 1.085 16.448 ( 0.556 -1.605 -0.086) 1.701 17.033 ( -0.867 3.164 2.351) 4.036 17.100 ( -0.396 -3.492 1.920) 4.004 17.396 ( 0.589 3.259 1.258) 3.543 17.461 ( 1.142 -3.013 0.619) 3.280 17.632 ( 2.092 3.554 -1.606) 4.426 17.699 ( 2.592 -2.538 -1.931) 4.110 17.911 ( -2.244 3.174 -1.163) 4.058 17.970 ( -2.476 -2.369 -1.068) 3.589 ======================= Grid point 95 (53/112) ======================= q-point: (-0.44 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 1.210 6.842 -0.801) 6.994 2.058 ( -1.708 -1.352 -1.746) 2.792 2.225 ( -0.203 3.809 1.884) 4.255 2.393 ( -5.854 -10.559 -0.311) 12.077 2.535 ( -4.291 9.183 -2.867) 10.534 2.672 ( 2.414 -3.071 -0.590) 3.950 2.776 ( 3.201 -1.235 -2.562) 4.282 2.792 ( 1.675 -2.359 -2.726) 3.975 2.939 ( 5.887 5.138 -1.354) 7.930 3.040 ( -0.259 -3.611 -0.013) 3.621 3.289 ( -5.227 1.533 12.720) 13.837 3.316 ( -4.206 0.422 6.755) 7.969 3.490 ( 1.550 0.918 3.003) 3.502 3.570 ( 1.596 -6.798 3.135) 7.655 3.769 ( 2.093 -0.424 -3.756) 4.321 3.830 ( -0.521 -6.310 -3.028) 7.018 3.977 ( -0.346 5.673 -1.618) 5.909 4.105 ( -1.048 -6.132 -2.346) 6.649 4.320 ( -3.202 5.842 -4.141) 7.844 4.414 ( -1.877 -3.032 -1.929) 4.055 4.512 ( 5.246 8.732 -1.841) 10.352 4.671 ( 6.091 -6.787 -0.664) 9.144 5.105 ( -1.497 1.560 2.163) 3.058 5.131 ( 0.913 -0.749 2.819) 3.056 5.539 ( -0.702 6.863 3.334) 7.662 5.561 ( 0.855 3.259 5.179) 6.179 5.673 ( -2.160 -0.515 -1.769) 2.839 5.762 ( -1.976 -0.662 1.478) 2.555 5.800 ( 2.010 2.387 -2.096) 3.760 5.958 ( -3.101 -6.291 -1.458) 7.164 6.153 ( 1.420 5.807 1.523) 6.169 6.288 ( 1.070 -6.970 -1.410) 7.191 6.393 ( -1.666 2.794 -4.734) 5.745 6.425 ( -1.153 -0.945 -3.959) 4.230 6.830 ( -2.833 3.454 1.900) 4.854 6.860 ( -3.164 0.418 0.456) 3.224 7.064 ( 0.964 2.467 -0.688) 2.736 7.115 ( 0.757 -2.429 -0.691) 2.636 7.371 ( -1.126 2.960 2.755) 4.198 7.439 ( -0.914 -3.333 1.176) 3.651 7.697 ( -0.794 0.029 0.123) 0.804 7.719 ( 0.584 -1.868 -0.225) 1.970 7.750 ( -0.267 -0.575 0.533) 0.829 7.763 ( 0.601 -1.926 0.939) 2.225 8.424 ( 1.583 2.657 0.857) 3.209 8.483 ( 0.800 -3.299 -0.829) 3.495 11.253 ( 0.420 1.061 -0.296) 1.179 11.271 ( 0.498 -0.709 -0.690) 1.107 12.995 ( 0.515 0.924 0.067) 1.060 13.009 ( 0.912 -0.490 -0.060) 1.037 16.427 ( -0.309 0.800 0.369) 0.933 16.450 ( -0.282 -1.469 -0.071) 1.497 17.044 ( -1.408 3.037 2.831) 4.384 17.110 ( -1.275 -3.546 2.286) 4.407 17.434 ( 0.624 3.158 3.067) 4.446 17.496 ( 0.715 -2.796 2.124) 3.583 17.618 ( -0.997 3.654 -2.345) 4.454 17.687 ( -0.807 -2.842 -2.533) 3.892 17.873 ( 0.711 3.170 -2.458) 4.074 17.929 ( 0.724 -2.135 -2.895) 3.670 ======================= Grid point 96 (54/112) ======================= q-point: (-0.33 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -7.166 14.887 -4.355) 17.087 2.011 ( -2.399 4.612 -1.172) 5.329 2.291 ( -2.868 -7.609 2.282) 8.446 2.360 ( 1.615 -8.537 6.786) 11.025 2.455 ( 1.065 9.582 -1.621) 9.777 2.667 ( -0.701 -7.545 -1.827) 7.795 2.788 ( 1.134 1.268 -1.263) 2.119 2.832 ( 2.945 -1.513 1.014) 3.463 3.013 ( 2.825 3.632 -1.673) 4.896 3.071 ( 4.753 -1.679 -1.526) 5.266 3.319 ( -5.868 2.676 10.296) 12.149 3.353 ( -3.942 -0.290 9.625) 10.405 3.534 ( 0.111 -0.554 1.065) 1.206 3.594 ( -0.870 -5.950 0.265) 6.019 3.754 ( 2.656 4.087 -7.104) 8.615 3.817 ( 4.004 -3.852 -2.767) 6.207 3.909 ( -0.747 -0.701 -5.419) 5.515 3.992 ( -3.214 -6.327 -9.305) 11.703 4.328 ( 5.211 7.755 3.037) 9.825 4.448 ( 4.485 -3.180 3.848) 6.711 4.597 ( 5.227 8.205 0.113) 9.729 4.768 ( 5.268 -7.581 -0.105) 9.232 5.094 ( -2.088 3.426 1.214) 4.192 5.163 ( 0.177 -2.759 0.292) 2.780 5.529 ( -4.597 4.059 -1.422) 6.295 5.575 ( -7.589 0.205 -1.328) 7.707 5.596 ( -3.630 6.794 6.702) 10.210 5.749 ( -2.338 -4.063 4.594) 6.564 5.790 ( 0.381 -0.043 -4.366) 4.382 5.880 ( -2.624 -4.741 -2.767) 6.084 6.196 ( 0.173 4.718 2.976) 5.581 6.252 ( -2.086 0.857 -4.974) 5.461 6.330 ( -0.432 -1.890 0.150) 1.945 6.350 ( -1.199 -2.706 -4.707) 5.560 6.792 ( -3.456 3.397 1.402) 5.045 6.818 ( -3.539 1.310 2.309) 4.425 7.056 ( -1.209 1.797 -1.576) 2.678 7.092 ( -2.075 -1.951 -1.485) 3.212 7.364 ( -3.051 2.900 2.438) 4.864 7.427 ( -0.885 -2.788 0.417) 2.955 7.682 ( -1.337 0.610 0.110) 1.474 7.710 ( -1.681 -2.198 0.096) 2.769 7.787 ( 3.354 -0.799 1.105) 3.620 7.802 ( 2.435 -2.122 1.216) 3.451 8.462 ( 2.020 2.902 0.010) 3.536 8.531 ( 4.885 -3.700 0.921) 6.197 11.258 ( 0.656 1.017 -0.529) 1.321 11.275 ( 0.843 -0.578 -0.770) 1.280 13.010 ( 1.158 1.143 -0.057) 1.628 13.030 ( 1.593 -0.789 -0.373) 1.816 16.419 ( -1.056 0.394 0.302) 1.167 16.436 ( -1.159 -1.192 -0.243) 1.680 17.048 ( -2.099 2.821 2.944) 4.586 17.109 ( -2.087 -3.251 2.466) 4.584 17.458 ( -2.393 2.326 1.602) 3.702 17.506 ( -2.018 -2.189 -0.120) 2.980 17.572 ( -0.849 3.569 -0.718) 3.738 17.638 ( -1.033 -3.018 -1.644) 3.588 17.888 ( 3.689 2.973 -1.250) 4.900 17.934 ( 3.851 -1.610 -2.668) 4.954 ======================= Grid point 97 (55/112) ======================= q-point: (-0.22 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -5.152 19.724 -0.405) 20.390 1.925 ( -4.024 9.442 -2.782) 10.635 2.223 ( -8.106 -5.393 4.781) 10.847 2.430 ( -3.803 -14.240 4.051) 15.286 2.526 ( 6.124 7.378 -2.884) 10.013 2.637 ( -0.237 0.706 -0.744) 1.053 2.794 ( -0.206 5.403 1.326) 5.567 2.887 ( 0.522 0.954 1.210) 1.627 3.040 ( 4.358 -2.615 -1.202) 5.223 3.117 ( 2.195 -5.440 -1.043) 5.958 3.324 ( -5.457 0.693 6.945) 8.860 3.369 ( -3.854 -3.071 3.349) 5.958 3.545 ( 2.054 0.332 1.856) 2.789 3.588 ( -0.043 -4.536 2.216) 5.048 3.693 ( 1.732 6.527 -7.017) 9.739 3.829 ( -1.125 -6.418 -7.339) 9.814 3.925 ( 10.602 -1.952 -1.283) 10.857 3.956 ( 10.063 -4.390 -2.652) 11.294 4.484 ( 4.615 8.460 4.063) 10.459 4.589 ( 5.183 0.307 3.905) 6.497 4.695 ( 5.088 4.493 1.655) 6.987 4.832 ( 1.774 -7.084 -0.099) 7.304 5.061 ( -2.714 3.622 0.154) 4.528 5.140 ( -1.542 -3.171 -2.101) 4.105 5.364 ( -7.863 1.053 -6.405) 10.196 5.384 ( -8.643 -1.582 -2.576) 9.156 5.601 ( -4.631 8.788 3.541) 10.546 5.721 ( -2.652 -0.361 -2.190) 3.459 5.759 ( -1.997 -3.322 0.493) 3.907 5.790 ( -6.156 -7.564 0.186) 9.755 6.155 ( -1.115 6.314 -3.589) 7.348 6.250 ( -0.240 3.585 5.244) 6.356 6.293 ( 0.214 -4.489 -3.234) 5.537 6.343 ( -0.512 -2.657 2.384) 3.607 6.750 ( -2.870 3.974 0.855) 4.976 6.786 ( -2.542 0.702 0.993) 2.818 6.973 ( -5.161 2.225 -1.871) 5.923 7.023 ( -4.456 -2.752 -0.540) 5.265 7.338 ( -2.239 4.375 1.404) 5.112 7.427 ( 0.407 -3.470 -0.076) 3.494 7.654 ( -1.827 0.680 -0.033) 1.950 7.683 ( -1.560 -1.642 0.584) 2.339 7.859 ( 3.060 -1.287 0.670) 3.386 7.868 ( 3.452 -1.999 1.006) 4.114 8.502 ( 2.793 6.609 -0.328) 7.183 8.646 ( 6.145 -7.315 1.253) 9.635 11.263 ( 0.589 0.991 -0.474) 1.246 11.280 ( 0.657 -0.626 -0.632) 1.106 13.031 ( 1.435 1.072 -0.135) 1.797 13.051 ( 1.635 -0.884 -0.796) 2.022 16.400 ( -1.433 -0.080 0.078) 1.438 16.408 ( -1.537 -0.859 -0.269) 1.781 17.039 ( -2.759 2.563 2.575) 4.562 17.093 ( -3.247 -2.861 2.373) 4.935 17.392 ( -3.858 2.558 -1.463) 4.854 17.442 ( -2.782 -2.185 -2.037) 4.082 17.565 ( -0.504 2.680 0.154) 2.731 17.619 ( 0.275 -2.690 -1.139) 2.934 17.963 ( 4.858 2.524 0.623) 5.510 17.998 ( 4.911 -0.978 0.127) 5.009 ======================= Grid point 98 (56/112) ======================= q-point: (-0.11 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -3.438 20.987 2.641) 21.430 1.820 ( -1.518 17.298 -6.442) 18.521 2.140 ( -8.588 -6.823 5.495) 12.268 2.340 ( -5.341 -12.266 -1.839) 13.504 2.536 ( 2.290 7.566 -4.797) 9.247 2.659 ( 1.082 0.459 2.080) 2.390 2.796 ( -1.005 3.885 -4.267) 5.857 2.856 ( -1.573 5.781 -0.930) 6.063 3.086 ( 1.702 -5.744 -0.343) 6.001 3.172 ( 2.277 -7.937 2.814) 8.723 3.322 ( -3.464 -2.562 6.710) 7.975 3.345 ( -2.468 -3.372 3.491) 5.445 3.608 ( -1.680 0.157 5.202) 5.469 3.646 ( 0.451 -3.046 3.707) 4.819 3.727 ( 9.223 2.100 -1.445) 9.569 3.819 ( 7.342 -6.015 -2.404) 9.791 4.110 ( 12.054 1.080 -1.770) 12.231 4.156 ( 12.394 -2.765 0.309) 12.702 4.489 ( -7.538 8.767 1.682) 11.684 4.648 ( -6.057 -5.110 2.414) 8.284 4.798 ( 5.776 3.397 -1.399) 6.845 4.837 ( 3.612 -0.013 -2.195) 4.227 5.000 ( -2.632 2.062 -2.638) 4.259 5.052 ( -2.658 -2.062 -7.678) 8.383 5.217 ( -0.844 3.305 -1.163) 3.604 5.295 ( -1.465 -4.485 1.280) 4.888 5.510 ( -5.379 5.588 -1.136) 7.839 5.648 ( -4.736 -5.490 -3.766) 8.170 5.672 ( -3.979 -0.595 2.443) 4.707 5.721 ( -5.662 -4.689 2.689) 7.828 6.130 ( 1.115 8.351 -1.375) 8.536 6.265 ( -0.590 1.781 -0.661) 1.989 6.302 ( -0.113 -3.466 1.056) 3.625 6.361 ( -0.802 -3.007 2.599) 4.055 6.728 ( -0.133 3.261 0.841) 3.370 6.763 ( -0.144 0.217 0.267) 0.373 6.870 ( -4.719 3.388 -0.295) 5.817 6.937 ( -5.652 -3.083 1.130) 6.537 7.321 ( -1.168 5.454 0.582) 5.608 7.429 ( 0.275 -4.278 -0.597) 4.328 7.629 ( -0.965 1.388 0.205) 1.703 7.674 ( -0.808 -2.081 1.079) 2.480 7.902 ( 1.738 -0.528 -0.527) 1.892 7.923 ( 1.969 -2.499 -0.028) 3.181 8.541 ( 2.103 9.318 -0.758) 9.582 8.738 ( 3.957 -10.125 -1.464) 10.968 11.270 ( 0.442 0.844 0.287) 0.995 11.285 ( 0.462 -0.567 0.002) 0.732 13.053 ( 1.103 0.653 -0.101) 1.286 13.067 ( 1.345 -0.746 -0.648) 1.669 16.377 ( -0.952 -0.233 -0.117) 0.987 16.383 ( -1.092 -0.835 0.063) 1.376 17.018 ( -2.595 1.920 2.159) 3.883 17.055 ( -3.910 -1.821 2.200) 4.842 17.325 ( -1.260 3.267 -2.076) 4.071 17.382 ( -1.033 -2.415 -2.332) 3.512 17.554 ( -0.360 2.826 -0.536) 2.898 17.612 ( 0.661 -3.042 -1.473) 3.444 18.046 ( 3.058 2.426 1.235) 4.094 18.083 ( 2.917 -1.239 1.789) 3.639 ======================= Grid point 126 (57/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 5.306 0.000 25.943) 26.480 1.200 ( -0.455 0.000 29.532) 29.535 1.745 ( -8.637 0.000 41.409) 42.300 1.924 ( -3.734 0.000 -15.933) 16.365 2.228 ( 1.992 0.000 -18.752) 18.858 2.770 ( 1.288 0.000 4.570) 4.748 2.859 ( 5.957 0.000 -5.061) 7.817 3.033 ( -5.749 0.000 0.138) 5.750 3.136 ( 0.047 0.000 -0.530) 0.532 3.325 ( -1.489 0.000 -1.573) 2.166 3.356 ( -5.194 0.000 -8.680) 10.115 3.529 ( 9.304 0.000 -15.095) 17.732 3.813 ( -5.533 0.000 6.846) 8.802 3.896 ( 7.843 0.000 1.530) 7.991 4.174 ( 1.432 0.000 1.263) 1.909 4.224 ( -12.804 0.000 0.598) 12.818 4.240 ( -0.217 0.000 -1.149) 1.170 4.342 ( 1.779 0.000 -7.140) 7.358 4.398 ( 4.872 0.000 -0.405) 4.888 4.402 ( -1.396 0.000 0.839) 1.629 4.635 ( 5.447 0.000 0.314) 5.456 4.732 ( 0.831 0.000 -5.196) 5.262 4.975 ( -9.180 0.000 4.427) 10.191 5.053 ( 6.505 0.000 1.947) 6.790 5.115 ( 12.515 0.000 -2.612) 12.785 5.174 ( -4.748 0.000 -4.196) 6.336 5.695 ( 0.963 0.000 4.822) 4.917 5.701 ( -1.309 0.000 1.352) 1.882 5.748 ( -7.857 0.000 1.070) 7.929 5.783 ( 4.341 0.000 -3.119) 5.345 5.848 ( -4.699 0.000 3.379) 5.788 6.009 ( 2.209 0.000 -3.609) 4.232 6.356 ( 5.013 0.000 5.167) 7.199 6.559 ( -2.071 0.000 -3.228) 3.835 6.580 ( -0.830 0.000 -1.125) 1.398 6.622 ( -2.599 0.000 -1.539) 3.020 6.902 ( 3.488 0.000 4.264) 5.509 6.985 ( -5.811 0.000 -0.691) 5.852 7.311 ( -3.767 0.000 3.950) 5.458 7.469 ( 1.650 0.000 -4.231) 4.542 7.732 ( -0.272 0.000 3.335) 3.346 7.791 ( -1.703 0.000 3.818) 4.181 7.937 ( 1.768 0.000 -2.927) 3.419 8.029 ( -0.374 0.000 -4.468) 4.483 8.452 ( 11.149 0.000 2.368) 11.397 8.539 ( -4.304 0.000 -2.002) 4.747 11.277 ( -0.878 0.000 1.381) 1.637 11.302 ( 0.803 0.000 0.110) 0.811 13.006 ( -0.373 0.000 1.725) 1.764 13.094 ( 2.226 0.000 -2.619) 3.437 16.424 ( 1.437 0.000 0.286) 1.465 16.432 ( -1.383 0.000 -0.095) 1.387 16.981 ( -2.017 0.000 3.037) 3.646 17.103 ( 2.446 0.000 -2.945) 3.829 17.120 ( -7.754 0.000 3.972) 8.713 17.285 ( 3.175 0.000 -4.051) 5.147 17.478 ( -0.543 0.000 2.582) 2.639 17.611 ( 1.188 0.000 -4.686) 4.834 18.055 ( -2.386 0.000 5.673) 6.154 18.227 ( 0.910 0.000 -3.405) 3.524 ======================= Grid point 127 (58/112) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.744 0.000 25.570) 25.581 1.485 ( 1.493 0.000 3.781) 4.065 1.740 ( 1.327 0.000 1.157) 1.761 1.949 ( 3.680 0.000 -16.575) 16.978 2.301 ( 12.028 0.000 19.537) 22.942 2.834 ( 6.131 0.000 -6.324) 8.808 2.917 ( 5.731 0.000 -1.832) 6.017 2.922 ( -9.989 0.000 7.175) 12.299 3.122 ( 2.793 0.000 -5.610) 6.267 3.176 ( -1.686 0.000 -9.417) 9.566 3.350 ( 2.413 0.000 1.985) 3.125 3.524 ( 4.417 0.000 -4.676) 6.432 3.797 ( -4.417 0.000 3.916) 5.903 3.942 ( -14.824 0.000 0.222) 14.825 4.051 ( -11.933 0.000 3.718) 12.499 4.073 ( 8.795 0.000 -2.550) 9.157 4.278 ( -0.688 0.000 -4.581) 4.632 4.278 ( -1.694 0.000 1.655) 2.368 4.365 ( -1.388 0.000 -0.617) 1.519 4.501 ( 3.899 0.000 2.020) 4.391 4.663 ( -9.161 0.000 -4.639) 10.268 4.674 ( -1.759 0.000 -5.143) 5.435 4.834 ( 0.551 0.000 2.255) 2.321 5.059 ( -0.048 0.000 2.615) 2.615 5.110 ( 0.215 0.000 -2.308) 2.318 5.373 ( 11.047 0.000 -3.441) 11.570 5.619 ( -5.628 0.000 2.472) 6.147 5.653 ( -9.266 0.000 4.393) 10.255 5.677 ( -1.165 0.000 -0.157) 1.175 5.831 ( 3.044 0.000 -0.171) 3.049 5.880 ( 2.163 0.000 0.745) 2.287 6.044 ( 4.474 0.000 -1.067) 4.599 6.436 ( -2.354 0.000 -5.512) 5.994 6.513 ( 1.569 0.000 2.639) 3.070 6.600 ( 5.860 0.000 1.801) 6.131 6.645 ( 4.079 0.000 1.326) 4.289 6.964 ( 2.924 0.000 -2.247) 3.688 7.028 ( 5.770 0.000 3.653) 6.829 7.269 ( -6.600 0.000 4.154) 7.799 7.441 ( 0.532 0.000 -3.135) 3.179 7.786 ( 1.683 0.000 3.695) 4.060 7.801 ( -0.766 0.000 1.355) 1.557 7.938 ( -0.223 0.000 0.144) 0.266 7.957 ( -1.452 0.000 -4.168) 4.414 8.418 ( -5.151 0.000 -3.955) 6.494 8.605 ( 5.554 0.000 -0.594) 5.586 11.272 ( -1.276 0.000 0.968) 1.602 11.313 ( 0.453 0.000 -0.233) 0.509 13.013 ( -1.201 0.000 1.592) 1.994 13.071 ( -0.412 0.000 -3.053) 3.081 16.409 ( -0.902 0.000 -0.319) 0.957 16.461 ( 2.153 0.000 0.290) 2.173 16.964 ( -3.332 0.000 3.128) 4.570 17.106 ( 2.359 0.000 -3.324) 4.075 17.145 ( 2.542 0.000 4.049) 4.780 17.332 ( 5.826 0.000 -2.246) 6.244 17.505 ( -0.059 0.000 2.961) 2.962 17.579 ( 1.299 0.000 -4.145) 4.343 18.062 ( -4.064 0.000 5.285) 6.667 18.177 ( -2.033 0.000 -2.801) 3.461 ======================= Grid point 128 (59/112) ======================= q-point: ( 0.22 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 7.176 0.000 -18.242) 19.603 1.705 ( 7.074 0.000 15.007) 16.591 1.815 ( 5.577 0.000 -13.448) 14.559 1.977 ( 3.404 0.000 17.174) 17.508 2.591 ( 3.873 0.000 1.576) 4.181 2.828 ( 8.161 0.000 -13.765) 16.003 2.916 ( -8.491 0.000 12.721) 15.294 2.985 ( 4.962 0.000 -6.577) 8.239 3.109 ( -0.384 0.000 2.339) 2.370 3.114 ( 7.749 0.000 -7.405) 10.718 3.421 ( 0.524 0.000 4.776) 4.804 3.543 ( -4.210 0.000 3.441) 5.437 3.749 ( -3.503 0.000 -0.156) 3.507 3.762 ( -3.754 0.000 3.252) 4.967 3.916 ( -13.063 0.000 11.008) 17.083 4.037 ( -9.820 0.000 -6.345) 11.691 4.226 ( -2.537 0.000 -2.602) 3.634 4.292 ( 4.166 0.000 -3.428) 5.395 4.336 ( -2.855 0.000 1.261) 3.121 4.381 ( -2.509 0.000 -6.101) 6.596 4.573 ( -4.004 0.000 -1.800) 4.390 4.585 ( 4.406 0.000 -3.774) 5.802 4.989 ( 7.251 0.000 5.776) 9.270 5.076 ( -3.342 0.000 3.785) 5.049 5.083 ( -1.810 0.000 0.095) 1.812 5.426 ( 2.481 0.000 -3.419) 4.224 5.557 ( -8.868 0.000 6.653) 11.086 5.588 ( -1.147 0.000 0.893) 1.454 5.744 ( 7.210 0.000 0.249) 7.214 5.820 ( -1.026 0.000 -3.168) 3.330 5.927 ( 2.089 0.000 0.410) 2.129 6.100 ( 3.715 0.000 -1.742) 4.103 6.359 ( 0.573 0.000 -5.056) 5.089 6.515 ( 1.200 0.000 -0.516) 1.306 6.725 ( 3.610 0.000 0.522) 3.647 6.812 ( 9.887 0.000 4.990) 11.075 6.976 ( 3.314 0.000 -5.916) 6.781 7.168 ( 4.150 0.000 4.325) 5.994 7.194 ( -6.206 0.000 3.261) 7.011 7.419 ( 1.156 0.000 -2.900) 3.122 7.804 ( 0.711 0.000 -0.506) 0.873 7.863 ( 2.665 0.000 1.729) 3.177 7.899 ( -1.837 0.000 -0.270) 1.857 7.921 ( -3.588 0.000 2.257) 4.239 8.303 ( -2.683 0.000 -2.875) 3.932 8.647 ( 1.072 0.000 -1.159) 1.579 11.256 ( -1.557 0.000 0.545) 1.650 11.310 ( -0.040 0.000 -0.943) 0.944 13.001 ( -1.700 0.000 0.794) 1.876 13.026 ( -1.087 0.000 -2.125) 2.387 16.398 ( -0.219 0.000 0.234) 0.320 16.498 ( 1.923 0.000 -0.198) 1.933 16.955 ( -2.057 0.000 3.294) 3.884 17.115 ( 3.305 0.000 -3.280) 4.656 17.252 ( 4.217 0.000 3.586) 5.535 17.400 ( 2.463 0.000 0.448) 2.504 17.538 ( -0.055 0.000 2.433) 2.434 17.567 ( 2.395 0.000 -2.973) 3.818 18.043 ( -4.029 0.000 3.224) 5.160 18.099 ( -3.059 0.000 -2.950) 4.250 ======================= Grid point 129 (60/112) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 16.678 0.000 -6.708) 17.977 1.752 ( 13.887 0.000 -18.293) 22.967 2.087 ( 7.510 0.000 20.495) 21.827 2.133 ( -3.493 0.000 7.601) 8.365 2.597 ( -0.497 0.000 -2.891) 2.933 2.776 ( -13.891 0.000 2.199) 14.064 2.810 ( 7.870 0.000 -15.696) 17.559 2.925 ( -2.067 0.000 -3.056) 3.689 3.141 ( -4.069 0.000 4.270) 5.898 3.197 ( 8.949 0.000 -8.736) 12.507 3.465 ( -1.563 0.000 5.056) 5.292 3.522 ( 0.518 0.000 1.177) 1.286 3.675 ( -13.932 0.000 8.074) 16.103 3.715 ( -5.729 0.000 1.681) 5.971 3.868 ( 3.154 0.000 -0.619) 3.214 3.911 ( -4.585 0.000 8.504) 9.661 4.166 ( -0.310 0.000 -1.429) 1.463 4.186 ( -2.669 0.000 -7.981) 8.415 4.304 ( -1.608 0.000 0.457) 1.672 4.450 ( 8.582 0.000 -5.530) 10.209 4.507 ( -3.680 0.000 1.163) 3.859 4.577 ( 2.565 0.000 -7.786) 8.198 5.049 ( -4.074 0.000 3.559) 5.410 5.066 ( 0.279 0.000 1.003) 1.041 5.165 ( 0.485 0.000 10.303) 10.315 5.401 ( -0.080 0.000 -2.938) 2.939 5.507 ( -6.654 0.000 7.977) 10.388 5.610 ( 0.680 0.000 2.519) 2.609 5.774 ( 1.080 0.000 -3.308) 3.480 5.857 ( 5.446 0.000 -1.012) 5.540 5.958 ( 1.618 0.000 -0.048) 1.619 6.136 ( 3.757 0.000 -2.868) 4.727 6.334 ( 2.242 0.000 -3.619) 4.257 6.547 ( 2.788 0.000 -1.261) 3.059 6.784 ( 3.130 0.000 -0.035) 3.130 6.939 ( 1.452 0.000 -6.818) 6.970 7.016 ( 7.668 0.000 3.290) 8.344 7.133 ( -5.654 0.000 4.210) 7.049 7.274 ( 2.927 0.000 2.780) 4.037 7.415 ( 2.174 0.000 -2.553) 3.353 7.808 ( 0.670 0.000 -1.514) 1.655 7.847 ( -1.470 0.000 -1.517) 2.112 7.877 ( -4.371 0.000 2.976) 5.288 7.931 ( 0.324 0.000 2.430) 2.452 8.275 ( -0.058 0.000 1.958) 1.959 8.628 ( -0.797 0.000 -2.062) 2.210 11.233 ( -1.545 0.000 0.133) 1.551 11.291 ( -0.294 0.000 -1.742) 1.766 12.979 ( -1.387 0.000 0.282) 1.416 12.992 ( -0.574 0.000 -1.075) 1.218 16.408 ( 0.247 0.000 1.300) 1.324 16.519 ( 1.225 0.000 -0.707) 1.415 16.970 ( -1.166 0.000 4.045) 4.210 17.145 ( 4.365 0.000 -2.739) 5.153 17.366 ( 3.592 0.000 4.379) 5.664 17.412 ( -2.072 0.000 1.532) 2.576 17.550 ( -0.954 0.000 0.574) 1.114 17.595 ( 2.990 0.000 -0.304) 3.005 17.992 ( -3.383 0.000 -1.238) 3.602 18.009 ( -2.682 0.000 -3.620) 4.505 ======================= Grid point 130 (61/112) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 18.375 0.000 7.230) 19.747 1.839 ( 13.888 0.000 -8.497) 16.281 2.024 ( -12.321 0.000 -1.358) 12.396 2.313 ( -12.247 0.000 6.309) 13.777 2.516 ( 3.805 0.000 0.319) 3.818 2.687 ( 2.289 0.000 1.955) 3.011 2.694 ( 1.150 0.000 -13.882) 13.930 2.893 ( -2.249 0.000 1.150) 2.526 3.078 ( -4.745 0.000 -0.195) 4.749 3.185 ( 4.023 0.000 -11.770) 12.439 3.493 ( -2.707 0.000 5.270) 5.924 3.504 ( 0.315 0.000 -1.282) 1.321 3.552 ( -11.488 0.000 10.414) 15.505 3.817 ( 7.326 0.000 5.825) 9.359 3.847 ( -8.477 0.000 2.714) 8.901 3.964 ( 0.321 0.000 6.345) 6.353 4.056 ( 5.071 0.000 -13.144) 14.088 4.160 ( -3.385 0.000 3.072) 4.571 4.313 ( 3.753 0.000 -2.595) 4.563 4.447 ( -5.644 0.000 1.188) 5.768 4.484 ( 1.669 0.000 -6.584) 6.792 4.522 ( 6.735 0.000 -10.174) 12.202 5.031 ( -2.726 0.000 3.463) 4.407 5.100 ( 0.395 0.000 1.371) 1.427 5.230 ( -4.968 0.000 9.646) 10.850 5.396 ( 2.950 0.000 -1.248) 3.203 5.530 ( -3.003 0.000 9.197) 9.675 5.651 ( 0.001 0.000 3.162) 3.162 5.786 ( 2.807 0.000 -0.971) 2.970 5.896 ( 1.484 0.000 -2.275) 2.716 5.993 ( 1.789 0.000 1.137) 2.120 6.149 ( 1.716 0.000 -4.069) 4.416 6.345 ( 2.523 0.000 -1.678) 3.030 6.544 ( 0.538 0.000 -5.103) 5.132 6.831 ( 2.070 0.000 -0.046) 2.071 6.888 ( -0.043 0.000 -3.501) 3.501 7.090 ( -5.052 0.000 4.232) 6.590 7.143 ( 4.914 0.000 0.496) 4.938 7.337 ( 1.014 0.000 2.258) 2.475 7.430 ( 2.147 0.000 -1.941) 2.894 7.789 ( -1.355 0.000 0.235) 1.376 7.812 ( -1.175 0.000 -0.194) 1.191 7.860 ( -0.834 0.000 1.630) 1.831 7.936 ( -0.794 0.000 -0.494) 0.935 8.326 ( 0.609 0.000 5.099) 5.135 8.582 ( -0.569 0.000 -3.359) 3.407 11.211 ( -0.908 0.000 0.094) 0.913 11.264 ( -0.085 0.000 -2.125) 2.127 12.964 ( -0.728 0.000 0.338) 0.803 12.982 ( 0.412 0.000 -0.556) 0.692 16.433 ( 0.173 0.000 2.092) 2.099 16.523 ( 0.497 0.000 -1.148) 1.251 17.005 ( -1.117 0.000 4.974) 5.098 17.194 ( 4.591 0.000 -2.989) 5.478 17.387 ( -2.403 0.000 2.119) 3.203 17.476 ( 1.915 0.000 6.272) 6.558 17.516 ( -1.914 0.000 -1.798) 2.625 17.652 ( 2.093 0.000 2.195) 3.033 17.899 ( -2.890 0.000 -5.124) 5.883 17.929 ( -0.999 0.000 -4.520) 4.629 ======================= Grid point 131 (62/112) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -20.945 0.000 -2.331) 21.075 1.896 ( -17.267 0.000 6.315) 18.386 2.129 ( 8.033 0.000 -7.636) 11.083 2.214 ( 16.657 0.000 13.049) 21.159 2.484 ( -6.166 0.000 -6.396) 8.884 2.581 ( 1.874 0.000 -8.355) 8.563 2.861 ( -1.133 0.000 -1.490) 1.872 2.883 ( 10.249 0.000 3.679) 10.889 2.981 ( -4.078 0.000 -3.233) 5.204 3.097 ( -0.024 0.000 -5.163) 5.163 3.465 ( -5.422 0.000 1.894) 5.744 3.521 ( 0.397 0.000 1.533) 1.583 3.543 ( -5.843 0.000 12.870) 14.134 3.790 ( -1.136 0.000 4.934) 5.063 3.870 ( -0.507 0.000 -2.922) 2.965 4.045 ( 9.266 0.000 -3.485) 9.900 4.142 ( -2.677 0.000 4.514) 5.248 4.154 ( 8.595 0.000 1.298) 8.692 4.285 ( -4.418 0.000 -5.458) 7.022 4.382 ( 0.440 0.000 -0.858) 0.964 4.398 ( 0.910 0.000 -8.616) 8.664 4.568 ( 7.664 0.000 -5.743) 9.577 5.035 ( -2.175 0.000 4.099) 4.640 5.082 ( -3.480 0.000 1.585) 3.824 5.275 ( -0.948 0.000 6.460) 6.529 5.463 ( 6.101 0.000 -1.919) 6.396 5.578 ( -3.741 0.000 8.055) 8.882 5.674 ( -1.244 0.000 1.978) 2.337 5.826 ( 1.715 0.000 0.092) 1.718 5.864 ( -1.025 0.000 -3.309) 3.464 6.038 ( 0.486 0.000 2.547) 2.593 6.086 ( -3.012 0.000 -4.678) 5.564 6.380 ( 2.510 0.000 0.410) 2.543 6.457 ( -1.565 0.000 -7.111) 7.281 6.835 ( -1.939 0.000 0.191) 1.948 6.844 ( -2.669 0.000 -0.630) 2.742 7.062 ( -3.612 0.000 3.533) 5.052 7.216 ( 4.517 0.000 -1.313) 4.704 7.355 ( -2.034 0.000 2.125) 2.942 7.427 ( 0.355 0.000 -2.380) 2.406 7.769 ( -2.392 0.000 1.255) 2.701 7.801 ( -0.715 0.000 0.067) 0.718 7.888 ( 1.843 0.000 1.852) 2.613 7.913 ( 0.266 0.000 -1.094) 1.126 8.408 ( 1.678 0.000 5.443) 5.696 8.539 ( 1.103 0.000 -4.797) 4.922 11.207 ( -0.029 0.000 0.558) 0.559 11.244 ( 0.555 0.000 -1.798) 1.882 12.961 ( -0.199 0.000 0.400) 0.447 12.989 ( 1.238 0.000 -0.818) 1.483 16.458 ( -0.281 0.000 2.190) 2.208 16.509 ( -0.260 0.000 -1.604) 1.625 17.037 ( -2.349 0.000 4.946) 5.475 17.202 ( 1.192 0.000 -4.554) 4.708 17.412 ( 1.434 0.000 3.444) 3.730 17.456 ( -1.715 0.000 -1.691) 2.408 17.585 ( 0.961 0.000 8.282) 8.337 17.702 ( 0.561 0.000 -0.105) 0.571 17.798 ( -1.294 0.000 -3.076) 3.338 17.867 ( 0.642 0.000 -6.024) 6.058 ======================= Grid point 132 (63/112) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -24.010 0.000 2.486) 24.139 1.505 ( -27.145 0.000 -2.066) 27.224 2.114 ( -21.106 0.000 4.551) 21.591 2.372 ( 10.641 0.000 -4.563) 11.578 2.463 ( -1.247 0.000 1.518) 1.965 2.688 ( 6.072 0.000 9.566) 11.330 2.813 ( 7.224 0.000 -10.048) 12.375 2.904 ( 1.081 0.000 -1.730) 2.040 2.970 ( 1.760 0.000 -0.309) 1.787 3.152 ( 1.882 0.000 3.434) 3.916 3.431 ( 0.828 0.000 2.579) 2.709 3.540 ( 0.691 0.000 0.361) 0.779 3.611 ( -0.225 0.000 7.018) 7.022 3.864 ( 2.210 0.000 -0.789) 2.347 3.913 ( 6.247 0.000 5.782) 8.512 4.103 ( -6.310 0.000 -5.280) 8.227 4.135 ( 6.883 0.000 -5.303) 8.689 4.193 ( -0.339 0.000 6.582) 6.591 4.265 ( 4.883 0.000 -4.094) 6.372 4.365 ( 5.349 0.000 -4.031) 6.698 4.386 ( 1.576 0.000 -2.586) 3.028 4.621 ( 4.412 0.000 -3.954) 5.925 5.044 ( -2.207 0.000 3.541) 4.173 5.052 ( -3.244 0.000 3.741) 4.952 5.333 ( 1.343 0.000 2.455) 2.799 5.529 ( 5.354 0.000 -5.925) 7.986 5.587 ( -4.319 0.000 5.500) 6.992 5.643 ( -3.687 0.000 0.959) 3.810 5.798 ( -1.482 0.000 -3.776) 4.056 5.827 ( -1.663 0.000 -0.278) 1.686 5.965 ( -4.829 0.000 -2.370) 5.380 6.055 ( -1.754 0.000 1.890) 2.579 6.348 ( -2.252 0.000 -5.385) 5.837 6.442 ( 2.794 0.000 2.088) 3.488 6.782 ( -4.453 0.000 1.355) 4.655 6.784 ( -3.749 0.000 0.195) 3.754 7.026 ( -5.046 0.000 1.779) 5.350 7.268 ( 3.373 0.000 -1.510) 3.696 7.327 ( -3.585 0.000 2.308) 4.264 7.396 ( 0.375 0.000 -3.651) 3.670 7.741 ( -3.298 0.000 3.047) 4.490 7.772 ( -2.400 0.000 0.075) 2.401 7.947 ( 4.352 0.000 -0.507) 4.381 7.950 ( 2.518 0.000 1.436) 2.899 8.500 ( 1.893 0.000 -7.337) 7.577 8.503 ( 2.287 0.000 4.542) 5.086 11.222 ( 0.475 0.000 1.215) 1.305 11.243 ( 1.250 0.000 -0.935) 1.561 12.965 ( 0.126 0.000 0.406) 0.426 13.000 ( 1.420 0.000 -1.327) 1.943 16.471 ( -0.840 0.000 1.787) 1.975 16.477 ( -1.031 0.000 -1.899) 2.160 17.032 ( -3.798 0.000 3.492) 5.160 17.152 ( 0.020 0.000 -4.685) 4.685 17.433 ( 0.084 0.000 0.037) 0.092 17.469 ( -0.289 0.000 1.666) 1.691 17.644 ( 1.022 0.000 -6.476) 6.556 17.707 ( 1.314 0.000 7.780) 7.890 17.808 ( 1.069 0.000 -4.752) 4.871 17.832 ( 1.509 0.000 4.879) 5.107 ======================= Grid point 133 (64/112) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -28.327 0.000 -3.561) 28.550 0.974 ( -21.952 0.000 15.229) 26.718 1.788 ( -34.061 0.000 26.322) 43.046 2.377 ( -4.040 0.000 -8.119) 9.069 2.479 ( 8.405 0.000 -10.281) 13.280 2.680 ( -2.880 0.000 2.490) 3.807 2.845 ( -0.788 0.000 -0.227) 0.820 3.020 ( 3.656 0.000 -0.242) 3.664 3.149 ( 20.478 0.000 -1.058) 20.505 3.182 ( -2.791 0.000 5.483) 6.152 3.489 ( -1.579 0.000 3.455) 3.798 3.555 ( 1.964 0.000 -1.852) 2.699 3.719 ( 7.135 0.000 1.166) 7.229 3.885 ( 0.117 0.000 -1.603) 1.607 3.956 ( 2.683 0.000 -3.073) 4.079 4.140 ( 4.550 0.000 8.652) 9.775 4.160 ( 2.550 0.000 -1.478) 2.948 4.231 ( -1.861 0.000 0.480) 1.922 4.307 ( 8.626 0.000 -7.179) 11.223 4.402 ( 2.206 0.000 2.601) 3.411 4.431 ( 6.297 0.000 -3.683) 7.295 4.615 ( -0.001 0.000 -3.674) 3.674 5.039 ( -1.520 0.000 0.995) 1.817 5.051 ( -3.604 0.000 5.338) 6.441 5.362 ( -0.370 0.000 0.133) 0.393 5.392 ( -7.706 0.000 -10.812) 13.277 5.570 ( -2.853 0.000 3.351) 4.401 5.669 ( 1.409 0.000 1.768) 2.261 5.767 ( 3.783 0.000 -0.283) 3.794 5.773 ( -2.816 0.000 -1.080) 3.016 5.899 ( -2.179 0.000 1.254) 2.514 6.021 ( -4.313 0.000 1.275) 4.497 6.266 ( -1.559 0.000 -2.305) 2.783 6.505 ( 2.308 0.000 0.298) 2.327 6.728 ( -3.137 0.000 0.382) 3.160 6.750 ( -2.409 0.000 4.481) 5.088 6.916 ( -8.451 0.000 -0.542) 8.468 7.307 ( -2.190 0.000 2.976) 3.695 7.309 ( 2.902 0.000 -0.176) 2.908 7.354 ( 1.548 0.000 -6.244) 6.433 7.736 ( -2.546 0.000 1.339) 2.876 7.742 ( -2.137 0.000 5.358) 5.768 7.996 ( 1.637 0.000 0.032) 1.637 8.020 ( 4.743 0.000 -1.433) 4.954 8.397 ( -2.318 0.000 -10.902) 11.146 8.579 ( 1.192 0.000 2.803) 3.046 11.247 ( 0.345 0.000 1.671) 1.706 11.262 ( 1.522 0.000 -0.112) 1.526 12.975 ( 0.272 0.000 0.655) 0.709 13.009 ( 1.225 0.000 -0.473) 1.313 16.436 ( -1.140 0.000 -1.529) 1.907 16.470 ( -1.319 0.000 1.189) 1.775 17.002 ( -3.547 0.000 2.634) 4.418 17.108 ( 1.039 0.000 -4.129) 4.258 17.413 ( -3.578 0.000 -3.088) 4.726 17.444 ( 0.051 0.000 0.955) 0.956 17.635 ( 3.505 0.000 -3.869) 5.220 17.642 ( -3.770 0.000 -11.330) 11.940 17.924 ( 1.542 0.000 5.812) 6.013 17.951 ( 6.758 0.000 11.646) 13.465 ======================= Grid point 134 (65/112) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -6.747 0.000 23.342) 24.298 0.942 ( -11.235 0.000 28.452) 30.590 1.613 ( -29.766 0.000 39.436) 49.409 2.168 ( -4.617 0.000 -13.336) 14.113 2.406 ( 2.074 0.000 -15.819) 15.954 2.704 ( -0.943 0.000 5.924) 5.998 2.835 ( 2.430 0.000 -3.214) 4.029 3.074 ( 3.179 0.000 -1.559) 3.541 3.150 ( -4.902 0.000 1.622) 5.163 3.412 ( 10.314 0.000 -2.836) 10.697 3.431 ( -6.061 0.000 -1.089) 6.158 3.551 ( 6.075 0.000 -11.420) 12.935 3.828 ( -1.355 0.000 -1.744) 2.208 3.831 ( -2.660 0.000 6.092) 6.647 4.039 ( 7.827 0.000 -1.650) 7.999 4.228 ( 4.390 0.000 1.622) 4.680 4.258 ( 2.558 0.000 1.489) 2.960 4.325 ( 6.425 0.000 6.924) 9.446 4.364 ( 5.741 0.000 -5.439) 7.908 4.459 ( 0.303 0.000 -6.753) 6.760 4.557 ( 15.248 0.000 4.005) 15.766 4.565 ( 0.569 0.000 -0.230) 0.613 4.966 ( -5.799 0.000 -4.332) 7.238 5.032 ( -5.509 0.000 4.752) 7.275 5.165 ( -4.386 0.000 -4.507) 6.289 5.305 ( -5.322 0.000 -1.039) 5.422 5.603 ( 2.043 0.000 3.743) 4.264 5.681 ( 0.020 0.000 1.518) 1.518 5.741 ( 1.718 0.000 -1.808) 2.494 5.830 ( -3.064 0.000 1.771) 3.539 5.940 ( -7.072 0.000 1.927) 7.330 5.958 ( 8.708 0.000 -1.759) 8.883 6.263 ( 1.688 0.000 1.833) 2.492 6.533 ( 2.416 0.000 -1.385) 2.785 6.680 ( -2.867 0.000 -0.239) 2.877 6.737 ( -8.125 0.000 -2.473) 8.493 6.809 ( 0.122 0.000 5.639) 5.640 7.197 ( -8.625 0.000 -7.647) 11.527 7.313 ( -1.884 0.000 3.495) 3.970 7.433 ( 8.717 0.000 -3.121) 9.259 7.718 ( -1.954 0.000 2.443) 3.129 7.779 ( -1.136 0.000 3.894) 4.057 7.976 ( -1.806 0.000 -4.210) 4.580 8.057 ( 2.398 0.000 -3.091) 3.912 8.265 ( 0.753 0.000 2.410) 2.525 8.598 ( -1.417 0.000 0.527) 1.511 11.268 ( -0.247 0.000 1.700) 1.718 11.286 ( 1.076 0.000 0.066) 1.078 12.990 ( 0.153 0.000 1.218) 1.227 13.050 ( 3.333 0.000 0.634) 3.392 16.413 ( -0.040 0.000 -0.500) 0.502 16.455 ( -1.528 0.000 0.525) 1.616 16.980 ( -2.483 0.000 2.787) 3.732 17.095 ( 2.429 0.000 -3.337) 4.128 17.321 ( -1.432 0.000 -4.217) 4.453 17.347 ( -13.769 0.000 -6.986) 15.439 17.466 ( -1.503 0.000 1.934) 2.449 17.637 ( 2.107 0.000 -4.321) 4.808 18.008 ( 0.019 0.000 5.836) 5.836 18.180 ( 7.967 0.000 1.056) 8.037 ======================= Grid point 135 (66/112) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 6.725 3.677 27.545) 28.592 1.278 ( -5.185 9.561 24.807) 27.087 1.911 ( -4.619 9.194 -0.455) 10.300 2.041 ( -2.887 13.979 12.833) 19.194 2.234 ( 0.935 0.669 -17.556) 17.593 2.758 ( 4.706 -3.290 -1.340) 5.897 2.847 ( 0.819 -0.120 2.421) 2.559 3.008 ( -5.160 -2.908 0.130) 5.924 3.033 ( 0.564 -7.232 0.906) 7.311 3.292 ( -0.132 -0.975 -4.174) 4.288 3.416 ( -4.108 4.200 -6.089) 8.461 3.539 ( 6.170 0.077 -9.887) 11.654 3.852 ( -3.471 3.846 6.874) 8.607 3.975 ( 6.431 2.654 1.837) 7.196 4.046 ( 0.489 -10.020 2.761) 10.405 4.150 ( -2.120 -5.140 -2.302) 6.018 4.164 ( -4.196 -5.915 0.333) 7.260 4.268 ( -4.135 -6.231 3.679) 8.334 4.375 ( 2.538 -1.480 -7.444) 8.003 4.459 ( 3.825 5.344 -7.005) 9.606 4.684 ( -5.166 2.096 0.213) 5.579 4.754 ( 4.549 2.972 -3.333) 6.374 4.879 ( 2.324 -6.366 7.427) 10.054 5.060 ( 0.601 -3.161 -0.024) 3.218 5.128 ( 6.975 4.239 -0.003) 8.162 5.211 ( -2.367 1.520 -5.172) 5.887 5.592 ( -5.053 -5.710 4.511) 8.859 5.710 ( 0.232 -0.702 -2.271) 2.388 5.765 ( 1.366 -0.628 3.319) 3.644 5.848 ( 1.980 3.018 0.449) 3.637 5.905 ( -2.265 6.246 1.957) 6.927 5.994 ( -0.354 -0.038 -2.570) 2.595 6.367 ( 3.274 0.419 3.991) 5.179 6.536 ( -0.772 -2.545 -2.136) 3.411 6.575 ( -1.260 0.108 -1.233) 1.766 6.622 ( -2.070 1.784 -2.252) 3.541 6.900 ( 3.442 -0.262 4.111) 5.368 6.967 ( -5.011 -1.489 -0.010) 5.228 7.283 ( -2.940 -1.770 3.715) 5.057 7.422 ( 2.358 -2.372 -2.956) 4.464 7.735 ( -1.836 -0.296 3.331) 3.815 7.792 ( -0.053 -0.712 3.466) 3.539 7.925 ( 1.557 -1.161 -2.336) 3.038 8.009 ( -0.903 -1.957 -3.700) 4.282 8.419 ( 4.051 0.189 5.285) 6.662 8.666 ( -0.133 6.063 -9.574) 11.333 11.283 ( -0.678 0.516 1.306) 1.560 11.306 ( 0.797 0.295 0.167) 0.866 13.020 ( -0.484 1.168 1.134) 1.698 13.097 ( 2.040 0.049 -2.382) 3.137 16.413 ( 1.237 -1.027 0.283) 1.633 16.423 ( -1.199 -0.959 -0.130) 1.541 16.995 ( -2.147 1.250 3.094) 3.968 17.096 ( -2.118 -0.371 1.247) 2.486 17.143 ( -1.634 1.955 0.082) 2.549 17.301 ( 3.298 1.084 -4.904) 6.008 17.482 ( -0.894 0.615 2.474) 2.701 17.610 ( 1.514 -0.177 -4.492) 4.743 18.064 ( -1.871 0.866 4.953) 5.365 18.205 ( 0.367 -1.777 -1.905) 2.631 ======================= Grid point 136 (67/112) ======================= q-point: ( 0.11 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.045 9.143 21.575) 23.432 1.549 ( 5.797 4.369 18.912) 20.258 1.693 ( -0.590 0.676 -13.491) 13.520 2.021 ( 6.378 3.106 -20.025) 21.244 2.369 ( 6.075 5.948 16.709) 18.748 2.810 ( 6.683 -4.108 -7.270) 10.695 2.901 ( -1.363 -0.778 2.955) 3.345 2.926 ( -4.612 -0.073 8.138) 9.354 3.087 ( 1.555 -2.567 2.576) 3.955 3.173 ( 0.509 0.799 -13.084) 13.118 3.332 ( -0.203 0.718 -2.392) 2.506 3.568 ( 4.285 1.812 -1.657) 4.938 3.810 ( -9.772 -1.935 3.828) 10.672 3.910 ( -10.215 -2.387 0.166) 10.492 4.018 ( -8.086 -0.225 4.397) 9.207 4.113 ( 6.642 3.305 -4.686) 8.775 4.179 ( -0.754 -7.734 0.861) 7.818 4.266 ( -0.634 -4.466 3.300) 5.589 4.323 ( 0.676 -2.500 -5.683) 6.245 4.479 ( 0.232 -1.126 -0.768) 1.383 4.598 ( -5.824 -3.637 1.574) 7.044 4.698 ( -5.527 3.895 -5.454) 8.687 4.903 ( 1.497 3.431 0.878) 3.844 5.048 ( -0.190 -1.220 1.521) 1.959 5.122 ( 0.839 -1.138 -4.594) 4.807 5.302 ( 4.681 -1.545 0.083) 4.931 5.596 ( 3.030 -0.342 2.406) 3.884 5.718 ( -7.692 -0.789 1.721) 7.922 5.735 ( 1.667 2.728 -0.755) 3.284 5.829 ( -0.063 3.416 -0.575) 3.464 5.981 ( 4.451 7.645 0.509) 8.861 6.019 ( 4.685 -1.437 -0.379) 4.915 6.426 ( -1.699 -1.219 -3.471) 4.052 6.505 ( 1.267 -0.843 1.504) 2.140 6.580 ( 2.938 -1.199 0.956) 3.314 6.631 ( 4.158 0.138 1.658) 4.479 6.955 ( 2.922 -0.938 -1.823) 3.570 7.023 ( 5.686 -0.585 3.094) 6.500 7.252 ( -5.455 -0.827 3.310) 6.434 7.424 ( 1.996 -1.162 -2.642) 3.509 7.753 ( -0.516 -1.874 3.276) 3.809 7.824 ( 0.699 -0.048 1.330) 1.503 7.923 ( -1.179 -1.561 -1.160) 2.274 7.941 ( -1.392 -1.303 -1.858) 2.662 8.439 ( -4.749 1.928 -1.899) 5.466 8.620 ( 3.744 0.793 -2.199) 4.414 11.278 ( -1.235 0.600 0.803) 1.591 11.316 ( 0.330 0.195 -0.242) 0.454 13.020 ( -1.326 0.682 1.309) 1.984 13.077 ( -0.399 0.347 -2.747) 2.797 16.402 ( -0.706 -0.656 -0.301) 1.010 16.447 ( 1.992 -1.299 0.272) 2.394 16.979 ( -3.253 1.393 3.142) 4.732 17.102 ( 1.345 -0.215 -0.670) 1.518 17.168 ( 3.173 2.033 1.413) 4.024 17.342 ( 6.098 0.725 -3.015) 6.841 17.501 ( -0.281 -0.140 2.479) 2.499 17.586 ( 1.442 0.516 -3.624) 3.934 18.059 ( -4.633 -0.044 4.106) 6.191 18.171 ( -1.520 -0.538 -1.464) 2.178 ======================= Grid point 137 (68/112) ======================= q-point: ( 0.22 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 7.354 8.664 -17.795) 21.114 1.772 ( 8.063 3.648 -5.928) 10.652 1.804 ( 3.460 4.121 16.464) 17.321 2.064 ( 6.612 5.585 7.891) 11.712 2.554 ( 2.799 -3.495 1.988) 4.899 2.815 ( 3.093 -1.862 -6.282) 7.245 2.909 ( 0.447 -3.809 2.974) 4.852 2.986 ( -3.252 1.096 2.041) 3.993 3.057 ( -0.436 -1.476 -4.844) 5.083 3.108 ( 4.246 -0.487 -3.947) 5.817 3.366 ( 1.713 -2.853 3.231) 4.638 3.551 ( -7.124 -2.115 3.831) 8.360 3.726 ( -8.904 -4.300 1.547) 10.008 3.776 ( 1.786 2.881 1.178) 3.589 3.934 ( -11.660 2.483 4.402) 12.709 4.052 ( -6.289 1.841 -3.179) 7.283 4.143 ( -1.986 -7.242 -3.126) 8.134 4.288 ( 0.776 -3.385 -0.335) 3.489 4.301 ( 0.777 -1.067 0.708) 1.498 4.387 ( -3.023 -2.597 -3.738) 5.464 4.543 ( -3.147 -1.968 0.908) 3.821 4.613 ( 2.450 6.622 -4.468) 8.356 4.965 ( -1.418 -3.514 6.171) 7.242 5.070 ( 4.939 3.169 -1.019) 5.956 5.138 ( 1.952 0.708 -0.622) 2.168 5.329 ( -0.275 -2.382 1.224) 2.692 5.595 ( -5.666 -1.000 1.062) 5.850 5.694 ( 2.433 5.030 -0.075) 5.588 5.760 ( 2.234 4.401 0.228) 4.941 5.824 ( 1.268 0.465 -1.562) 2.065 6.041 ( 2.807 9.596 -0.383) 10.006 6.101 ( 4.159 -0.330 -0.044) 4.172 6.371 ( 1.091 1.167 -4.246) 4.537 6.492 ( 0.430 -1.632 -0.638) 1.804 6.680 ( 3.305 -3.727 0.979) 5.077 6.786 ( 8.856 -2.020 4.323) 10.060 6.970 ( 2.980 -0.402 -5.255) 6.054 7.147 ( 2.154 -1.691 3.467) 4.418 7.197 ( -2.283 0.801 2.311) 3.345 7.432 ( 1.981 0.729 -1.892) 2.835 7.782 ( 0.511 -2.081 1.092) 2.405 7.845 ( 0.856 -1.788 -1.483) 2.476 7.867 ( -1.766 -2.371 0.277) 2.969 7.924 ( -3.081 -0.659 2.956) 4.320 8.328 ( -3.077 2.464 -2.892) 4.889 8.653 ( 0.325 0.091 0.446) 0.559 11.261 ( -1.561 0.430 0.339) 1.654 11.310 ( -0.135 -0.000 -0.919) 0.929 13.005 ( -1.728 0.385 0.676) 1.895 13.033 ( -1.176 0.624 -1.913) 2.331 16.395 ( -0.008 -0.308 0.177) 0.355 16.481 ( 1.827 -1.520 -0.176) 2.383 16.970 ( -2.112 1.453 3.316) 4.191 17.118 ( 2.761 0.177 -2.234) 3.556 17.260 ( 3.925 0.872 2.793) 4.896 17.406 ( 2.737 0.531 -0.249) 2.799 17.533 ( 1.962 -0.713 0.740) 2.215 17.581 ( 1.479 1.363 -1.612) 2.577 18.008 ( -4.423 -1.862 0.830) 4.870 18.121 ( -3.123 0.981 -0.575) 3.324 ======================= Grid point 138 (69/112) ======================= q-point: ( 0.33 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 14.415 8.337 -5.907) 17.669 1.777 ( 12.456 2.723 -14.661) 19.430 2.140 ( 7.743 5.043 17.990) 20.224 2.192 ( -2.718 4.846 4.400) 7.087 2.588 ( 1.378 -1.332 -1.169) 2.245 2.773 ( -5.349 -1.030 -2.134) 5.851 2.837 ( -3.926 2.416 -7.846) 9.100 2.888 ( -2.255 -2.999 -1.503) 4.043 3.063 ( -0.752 -6.632 2.473) 7.118 3.153 ( 4.275 -3.337 -4.890) 7.302 3.402 ( -0.274 -3.684 2.592) 4.513 3.531 ( -0.464 -0.887 3.228) 3.379 3.605 ( -10.143 -5.720 6.058) 13.126 3.690 ( -10.157 -1.128 -1.728) 10.364 3.855 ( 4.550 -1.051 -1.368) 4.866 3.979 ( -3.655 1.995 1.900) 4.577 4.124 ( 0.108 -1.163 2.361) 2.634 4.247 ( -2.374 4.734 -5.423) 7.580 4.312 ( -1.066 -2.076 1.253) 2.649 4.348 ( 3.146 -8.139 -3.540) 9.417 4.489 ( -2.794 -2.016 -2.291) 4.138 4.614 ( 2.248 5.997 -3.943) 7.521 5.000 ( -1.591 -3.218 5.899) 6.905 5.153 ( 2.792 5.424 -0.575) 6.127 5.175 ( 1.875 2.218 3.647) 4.662 5.334 ( -2.329 -3.004 3.181) 4.957 5.552 ( -1.935 1.991 3.991) 4.862 5.722 ( 0.913 5.850 1.309) 6.064 5.772 ( 0.709 3.072 -1.541) 3.509 5.863 ( 3.282 -0.185 -0.586) 3.339 6.068 ( 1.922 8.662 -1.625) 9.020 6.151 ( 2.920 2.071 -1.710) 3.967 6.362 ( 2.567 2.143 -2.900) 4.426 6.517 ( 2.642 -2.663 -1.117) 3.915 6.731 ( 2.463 -3.867 -0.003) 4.585 6.918 ( 1.835 -2.550 -5.662) 6.475 6.987 ( 5.563 -1.314 2.937) 6.427 7.136 ( -2.972 0.236 2.401) 3.828 7.271 ( 3.146 0.105 2.641) 4.109 7.447 ( 2.074 1.958 -1.556) 3.249 7.794 ( 0.673 -1.620 -1.253) 2.156 7.810 ( -1.227 -2.582 -0.822) 2.975 7.860 ( -3.018 -2.131 2.033) 4.217 7.913 ( -1.461 -1.883 2.374) 3.364 8.289 ( -0.199 1.564 0.935) 1.833 8.637 ( -1.887 0.314 -0.626) 2.013 11.236 ( -1.418 0.342 -0.000) 1.459 11.291 ( -0.339 -0.009 -1.556) 1.593 12.983 ( -1.325 0.355 0.264) 1.397 12.999 ( -0.740 0.623 -0.965) 1.366 16.406 ( 0.387 -0.139 1.122) 1.195 16.503 ( 1.224 -1.531 -0.611) 2.054 16.984 ( -1.315 1.323 4.019) 4.431 17.150 ( 3.869 0.277 -2.009) 4.368 17.350 ( 1.360 -0.799 3.638) 3.965 17.429 ( 0.227 1.247 1.567) 2.015 17.579 ( 1.970 -0.728 -1.362) 2.503 17.593 ( 1.493 2.755 0.871) 3.253 17.935 ( -2.577 -2.909 -2.770) 4.772 18.046 ( -3.880 1.286 -1.943) 4.526 ======================= Grid point 139 (70/112) ======================= q-point: ( 0.44 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 10.758 0.632 0.570) 10.791 1.919 ( 16.517 6.460 -0.749) 17.751 2.067 ( -10.386 3.180 -4.101) 11.610 2.369 ( -8.973 5.018 6.273) 12.043 2.556 ( 2.438 3.810 -0.115) 4.525 2.659 ( 1.624 -2.398 0.258) 2.908 2.723 ( 0.718 2.069 -8.340) 8.622 2.870 ( -2.221 -1.912 0.576) 2.987 3.029 ( -2.536 -4.813 -0.547) 5.467 3.122 ( 0.195 -6.328 -6.725) 9.236 3.425 ( -2.390 -4.195 3.809) 6.150 3.511 ( -3.318 1.850 0.041) 3.800 3.527 ( -5.268 -1.653 6.782) 8.745 3.709 ( 3.522 -7.277 7.129) 10.778 3.861 ( -3.035 -2.799 0.288) 4.139 3.995 ( 7.735 -0.781 -3.790) 8.649 4.076 ( -5.432 4.969 -3.398) 8.109 4.188 ( -0.791 0.828 0.583) 1.285 4.293 ( -0.340 -5.875 -0.796) 5.939 4.374 ( -2.327 -4.467 -2.276) 5.527 4.392 ( 1.272 -2.395 -3.977) 4.813 4.597 ( 3.339 5.151 -5.998) 8.582 5.043 ( -1.028 0.718 4.657) 4.823 5.180 ( -1.029 5.079 -0.058) 5.183 5.238 ( 1.276 3.063 4.900) 5.918 5.343 ( -0.105 -1.637 2.761) 3.211 5.615 ( 0.118 3.544 7.940) 8.696 5.760 ( -0.621 8.341 4.061) 9.298 5.776 ( 1.800 1.021 -1.039) 2.316 5.889 ( 1.150 -0.761 -1.599) 2.111 6.080 ( 1.571 6.409 -1.438) 6.753 6.158 ( 1.175 1.993 -3.697) 4.361 6.379 ( 2.331 2.350 -1.808) 3.772 6.518 ( 0.557 -2.723 -4.348) 5.161 6.771 ( 1.714 -4.278 0.361) 4.622 6.862 ( -0.717 -1.898 -3.873) 4.372 7.068 ( -1.669 -1.582 3.439) 4.137 7.144 ( 2.519 -0.198 0.211) 2.536 7.343 ( 1.618 0.578 2.604) 3.120 7.462 ( 1.430 2.094 -1.634) 3.017 7.774 ( -0.661 -1.550 0.094) 1.688 7.797 ( -1.430 -1.234 0.146) 1.894 7.837 ( -0.904 -2.241 1.624) 2.911 7.906 ( -1.126 -2.853 -0.255) 3.077 8.332 ( 1.409 0.783 4.172) 4.472 8.583 ( -1.856 -0.304 -2.731) 3.316 11.217 ( -0.698 0.553 0.088) 0.895 11.266 ( -0.121 0.180 -1.881) 1.893 12.969 ( -0.690 0.446 0.359) 0.896 12.987 ( 0.346 0.508 -0.532) 0.812 16.430 ( 0.202 -0.252 1.824) 1.852 16.509 ( 0.535 -1.347 -0.994) 1.757 17.015 ( -1.286 0.990 4.852) 5.116 17.196 ( 3.845 -0.078 -2.384) 4.525 17.376 ( -1.435 -0.310 3.165) 3.489 17.485 ( 1.065 0.735 4.727) 4.901 17.554 ( -0.973 2.564 -2.780) 3.906 17.652 ( 2.233 0.419 2.360) 3.275 17.859 ( -1.196 -2.636 -4.970) 5.752 17.950 ( -2.693 0.910 -4.149) 5.029 ======================= Grid point 140 (71/112) ======================= q-point: (-0.44 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -18.467 1.700 -0.752) 18.560 1.913 ( -9.330 1.328 2.386) 9.721 2.160 ( -0.582 4.473 -3.358) 5.623 2.290 ( 16.285 5.172 7.535) 18.674 2.561 ( -3.151 6.707 -3.317) 8.119 2.630 ( 0.426 4.575 -6.231) 7.742 2.816 ( -1.980 -4.370 -1.211) 4.948 2.856 ( 9.910 -3.340 2.681) 10.796 2.971 ( -2.468 -1.629 -2.284) 3.736 3.037 ( -0.123 -4.911 -4.289) 6.522 3.403 ( -4.447 -4.542 3.301) 7.162 3.492 ( 1.340 0.446 -0.846) 1.646 3.554 ( -5.932 -1.045 12.999) 14.326 3.735 ( -5.547 -2.496 2.642) 6.631 3.898 ( 6.132 -2.848 -3.894) 7.802 4.011 ( 5.540 -1.155 -1.111) 5.767 4.088 ( 2.637 -1.968 -0.479) 3.325 4.174 ( -1.619 -4.477 3.327) 5.808 4.217 ( -5.655 -4.614 -6.324) 9.657 4.302 ( 3.198 -4.353 -2.884) 6.123 4.421 ( 0.990 2.324 0.235) 2.537 4.619 ( 7.966 4.794 -6.479) 11.332 5.072 ( -1.831 2.409 4.442) 5.375 5.137 ( -3.280 4.325 0.873) 5.498 5.317 ( 1.351 5.080 2.746) 5.930 5.379 ( 2.025 -3.162 0.013) 3.755 5.706 ( -0.504 3.001 6.554) 7.226 5.766 ( -2.932 9.742 2.687) 10.523 5.812 ( 1.635 -1.475 0.484) 2.254 5.875 ( -0.290 2.577 -1.481) 2.987 6.083 ( -0.193 2.985 -0.782) 3.092 6.099 ( -2.236 2.514 -3.834) 5.101 6.401 ( 2.063 1.332 -0.619) 2.532 6.446 ( -1.260 -1.517 -5.659) 5.992 6.780 ( -1.964 -3.795 0.728) 4.334 6.806 ( -2.360 -2.651 -1.106) 3.718 7.059 ( -2.984 -0.270 3.082) 4.299 7.186 ( 2.548 -2.271 -1.492) 3.725 7.382 ( -0.803 1.724 2.697) 3.300 7.447 ( -0.229 1.452 -2.571) 2.962 7.754 ( -2.726 -1.365 1.164) 3.264 7.792 ( -0.100 -0.836 0.201) 0.866 7.863 ( 1.542 -2.586 1.535) 3.380 7.886 ( 0.573 -2.467 -0.564) 2.595 8.416 ( 1.098 0.680 4.412) 4.597 8.531 ( 1.733 -0.826 -3.861) 4.312 11.215 ( -0.029 0.718 0.464) 0.856 11.249 ( 0.618 0.418 -1.606) 1.771 12.967 ( -0.131 0.531 0.419) 0.689 12.995 ( 1.285 0.500 -0.812) 1.601 16.451 ( -0.336 -0.582 1.921) 2.035 16.497 ( -0.263 -1.120 -1.418) 1.827 17.043 ( -2.392 0.696 4.873) 5.473 17.201 ( 0.980 -0.219 -3.839) 3.968 17.419 ( 1.453 1.196 3.916) 4.345 17.491 ( -1.035 2.618 -2.219) 3.584 17.561 ( -0.818 -1.800 5.934) 6.255 17.703 ( 0.616 -0.311 -1.157) 1.348 17.790 ( -0.263 -0.364 -1.112) 1.199 17.874 ( 0.597 0.563 -5.416) 5.478 ======================= Grid point 141 (72/112) ======================= q-point: (-0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -21.053 6.237 3.009) 22.163 1.597 ( -23.823 8.691 -0.836) 25.373 2.199 ( -6.284 5.249 -0.494) 8.203 2.396 ( -3.162 5.973 1.221) 6.868 2.521 ( -1.747 4.740 -1.048) 5.159 2.701 ( 4.712 -1.792 3.245) 5.995 2.760 ( 7.121 -3.465 -1.711) 8.102 2.924 ( 1.955 2.755 -1.930) 3.890 2.990 ( 3.936 -0.147 -0.343) 3.953 3.077 ( 3.495 -5.737 0.778) 6.763 3.408 ( 2.511 -2.099 3.387) 4.710 3.520 ( 1.138 -1.453 0.885) 2.046 3.598 ( -3.079 -1.238 7.643) 8.332 3.701 ( 0.906 -9.352 -0.363) 9.402 3.935 ( 3.391 -4.350 -4.990) 7.438 4.053 ( -5.326 -2.774 3.109) 6.762 4.079 ( 2.135 -5.113 -5.826) 8.039 4.179 ( 4.513 -5.706 4.642) 8.630 4.209 ( 1.752 -2.556 2.023) 3.700 4.334 ( 3.953 -0.254 -2.518) 4.693 4.450 ( 4.967 5.855 -2.973) 8.234 4.685 ( 6.014 5.508 -4.661) 9.393 5.080 ( -2.127 1.677 2.895) 3.965 5.107 ( -2.893 4.731 2.742) 6.186 5.324 ( -0.146 0.230 -3.180) 3.192 5.409 ( 1.087 -1.957 -0.178) 2.245 5.674 ( -6.829 0.036 0.869) 6.884 5.772 ( 0.384 2.214 -1.120) 2.510 5.828 ( -2.092 2.511 -1.574) 3.628 5.833 ( -0.347 7.145 0.156) 7.155 6.017 ( -2.859 5.086 0.454) 5.852 6.070 ( -2.029 2.072 0.856) 3.024 6.364 ( -1.656 0.821 -3.731) 4.163 6.440 ( 2.326 -0.890 0.601) 2.562 6.724 ( -4.153 -3.211 0.274) 5.257 6.763 ( -3.296 -1.867 1.923) 4.248 7.023 ( -4.942 -0.301 1.092) 5.070 7.192 ( -0.052 -4.232 -0.724) 4.294 7.385 ( -1.976 2.486 2.353) 3.952 7.407 ( 0.239 0.849 -3.853) 3.952 7.723 ( -2.946 -1.518 2.358) 4.068 7.767 ( -2.368 -0.514 0.106) 2.426 7.922 ( 4.078 -2.388 -0.253) 4.732 7.927 ( 2.798 -2.307 1.413) 3.892 8.410 ( -1.744 -2.697 -2.621) 4.145 8.604 ( 7.088 3.467 0.459) 7.904 11.224 ( 0.387 0.310 0.633) 0.804 11.253 ( 1.225 0.714 -0.570) 1.528 12.974 ( 0.480 0.760 0.438) 1.000 13.007 ( 1.556 0.640 -1.373) 2.171 16.460 ( -0.999 -1.046 1.146) 1.846 16.468 ( -0.985 -0.846 -1.242) 1.796 17.039 ( -3.698 0.834 3.670) 5.276 17.159 ( 0.136 0.574 -4.206) 4.247 17.448 ( -0.124 1.336 -0.361) 1.389 17.491 ( -1.315 1.818 1.187) 2.539 17.593 ( -0.309 -5.760 1.606) 5.988 17.652 ( -0.746 -1.634 -2.561) 3.128 17.815 ( 1.448 1.035 -0.674) 1.903 17.888 ( 4.117 2.853 3.013) 5.845 ======================= Grid point 142 (73/112) ======================= q-point: (-0.22 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -16.852 12.373 11.895) 24.054 1.144 ( -23.698 15.375 -1.951) 28.316 1.946 ( -28.086 14.718 20.695) 37.864 2.381 ( -1.509 0.009 -9.263) 9.385 2.502 ( 4.628 3.694 -5.007) 7.754 2.676 ( 0.310 -2.466 -1.619) 2.966 2.830 ( -3.832 -1.102 3.517) 5.317 3.047 ( 3.206 2.218 -2.649) 4.714 3.071 ( 0.079 -7.485 4.865) 8.928 3.163 ( 15.692 -0.462 -2.595) 15.912 3.484 ( 0.100 -0.766 -0.176) 0.792 3.553 ( 1.570 -0.519 1.850) 2.481 3.672 ( 7.011 -3.613 1.620) 8.052 3.761 ( 4.407 -11.482 1.888) 12.443 3.906 ( 2.114 -4.379 -1.735) 5.163 4.045 ( 0.272 -7.537 -0.283) 7.547 4.091 ( -1.305 -3.513 5.172) 6.387 4.214 ( 2.378 -6.333 0.825) 6.815 4.347 ( 5.085 1.251 2.501) 5.804 4.374 ( 4.537 3.693 -2.603) 6.403 4.529 ( 7.960 6.151 -2.618) 10.395 4.682 ( 0.057 6.520 -5.738) 8.686 5.063 ( -3.753 1.029 1.377) 4.128 5.090 ( -2.015 3.185 2.044) 4.288 5.235 ( -3.694 -6.678 -7.110) 10.430 5.387 ( -3.249 0.926 -1.146) 3.567 5.586 ( -3.171 -2.912 2.712) 5.088 5.709 ( -2.331 -0.977 -3.501) 4.318 5.759 ( -1.932 5.643 -1.232) 6.091 5.856 ( 1.136 3.077 -1.561) 3.633 6.002 ( -1.548 8.984 2.266) 9.394 6.046 ( -3.470 2.634 3.499) 5.588 6.307 ( -0.960 3.289 -1.840) 3.889 6.481 ( 2.004 -2.665 -0.321) 3.350 6.670 ( -2.854 -3.251 1.210) 4.491 6.748 ( -2.252 -0.504 4.116) 4.719 6.906 ( -8.154 -0.631 -0.960) 8.235 7.184 ( -1.006 -5.702 1.257) 5.925 7.347 ( -2.451 -0.447 -2.631) 3.624 7.390 ( 0.968 2.416 -0.910) 2.757 7.718 ( -1.892 -1.898 3.956) 4.779 7.732 ( -2.459 -0.237 1.569) 2.927 7.963 ( 1.711 -2.691 -1.238) 3.421 8.003 ( 4.122 -2.366 -0.286) 4.762 8.330 ( -2.594 -1.202 -3.606) 4.602 8.722 ( 7.221 6.680 -2.864) 10.245 11.244 ( 0.684 -0.029 1.230) 1.408 11.270 ( 1.031 0.543 0.058) 1.167 12.997 ( 1.680 1.543 0.541) 2.344 13.015 ( 1.097 0.670 -0.999) 1.628 16.427 ( -1.238 -0.857 -1.282) 1.977 16.458 ( -1.260 -1.135 1.020) 1.979 17.013 ( -3.525 1.159 2.863) 4.686 17.120 ( 1.040 1.090 -3.903) 4.184 17.406 ( -4.770 -0.963 -2.422) 5.436 17.451 ( -1.180 -0.089 0.281) 1.216 17.553 ( -5.176 -5.524 -3.858) 8.496 17.629 ( 2.950 -0.625 -3.547) 4.656 17.890 ( 4.179 0.598 4.463) 6.143 18.028 ( 5.164 2.815 6.189) 8.537 ======================= Grid point 143 (74/112) ======================= q-point: (-0.11 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -11.400 14.788 14.953) 23.921 1.109 ( -8.492 13.764 22.500) 27.709 1.825 ( -20.837 19.041 31.949) 42.632 2.197 ( -3.839 2.733 -12.281) 13.155 2.431 ( 0.507 2.501 -14.617) 14.838 2.699 ( 1.788 -1.957 1.397) 2.997 2.819 ( -0.566 -1.279 1.870) 2.335 3.033 ( -1.264 -8.372 -0.828) 8.507 3.074 ( -0.612 -0.906 -1.102) 1.553 3.308 ( 2.296 -4.416 -2.328) 5.495 3.520 ( 9.651 0.139 -8.273) 12.712 3.549 ( -3.082 2.418 -1.721) 4.279 3.802 ( 1.959 -2.628 5.168) 6.120 3.866 ( 2.030 0.088 3.831) 4.336 3.947 ( 5.087 -6.863 -0.963) 8.596 4.085 ( 3.761 -9.503 1.070) 10.276 4.195 ( 3.836 -3.709 4.467) 6.960 4.294 ( 1.907 -4.800 1.627) 5.415 4.404 ( 1.819 -1.125 -2.870) 3.579 4.470 ( 9.486 1.642 1.294) 9.714 4.581 ( 2.014 7.875 -5.294) 9.701 4.651 ( 7.217 5.176 -0.546) 8.898 4.919 ( -11.047 -2.229 -2.933) 11.644 5.064 ( -2.878 -0.402 -0.556) 2.959 5.131 ( -0.414 -1.659 -1.038) 2.001 5.303 ( -4.150 1.184 -1.201) 4.479 5.602 ( -1.490 -4.321 2.459) 5.190 5.680 ( 1.357 -1.618 2.477) 3.255 5.761 ( 2.660 5.555 1.008) 6.241 5.804 ( -3.629 -1.533 -2.921) 4.904 5.973 ( -4.679 6.974 1.443) 8.521 6.038 ( -1.133 1.789 -0.098) 2.120 6.302 ( 1.331 3.161 0.794) 3.520 6.509 ( 2.477 -2.080 -0.856) 3.346 6.644 ( -1.719 -2.001 0.043) 2.638 6.721 ( -6.570 -1.178 -1.980) 6.963 6.813 ( -0.630 0.525 5.079) 5.145 7.127 ( -8.431 -5.652 -1.685) 10.289 7.280 ( -1.159 -1.454 0.580) 1.948 7.407 ( 2.242 -0.364 -1.405) 2.671 7.726 ( -1.388 -0.203 3.043) 3.350 7.749 ( -0.719 -1.537 4.574) 4.878 7.946 ( 0.078 -2.170 -3.448) 4.075 8.040 ( 1.681 -2.399 -2.326) 3.741 8.299 ( 1.658 3.290 2.530) 4.469 8.753 ( 3.480 7.976 -8.206) 11.961 11.270 ( 0.094 0.181 1.689) 1.702 11.288 ( 0.939 0.231 0.156) 0.979 13.015 ( 0.362 1.643 -0.090) 1.685 13.056 ( 3.575 0.566 0.177) 3.624 16.403 ( -0.144 -0.822 -0.398) 0.924 16.444 ( -1.376 -1.158 0.419) 1.847 16.994 ( -2.467 1.329 2.921) 4.048 17.106 ( 1.925 0.919 -3.084) 3.750 17.267 ( -10.169 -3.091 -0.302) 10.632 17.357 ( -2.993 0.113 -5.893) 6.611 17.477 ( -1.422 1.085 1.611) 2.407 17.630 ( 2.267 -0.742 -4.219) 4.846 18.005 ( 2.057 0.381 4.827) 5.261 18.172 ( 4.546 -0.763 1.659) 4.899 ======================= Grid point 144 (75/112) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 2.256 14.440 16.847) 22.303 1.541 ( -1.538 15.621 15.654) 22.168 2.066 ( -2.767 7.333 -15.328) 17.215 2.205 ( 1.894 -2.086 -21.927) 22.107 2.337 ( -3.539 7.354 14.951) 17.033 2.616 ( 4.543 -9.089 -2.705) 10.515 2.860 ( -1.730 -0.979 4.026) 4.490 2.888 ( -1.273 -3.855 5.346) 6.713 3.017 ( -1.073 4.780 2.534) 5.515 3.315 ( 0.672 3.174 -3.050) 4.453 3.456 ( 2.417 -3.160 0.433) 4.002 3.548 ( -4.511 3.136 -3.613) 6.575 3.730 ( -4.955 -14.319 7.152) 16.755 3.903 ( -3.875 -0.564 6.666) 7.731 3.982 ( 4.395 -9.148 -0.958) 10.194 4.010 ( 8.980 -3.572 -1.744) 9.821 4.136 ( 2.633 2.655 -3.248) 4.953 4.278 ( -5.600 6.313 4.125) 9.394 4.347 ( -1.401 -0.941 -3.795) 4.153 4.533 ( -0.735 1.377 -5.882) 6.085 4.685 ( -8.219 -1.390 1.562) 8.481 4.806 ( 6.195 1.158 -0.619) 6.332 4.827 ( 5.366 1.774 -2.205) 6.066 4.978 ( 2.765 -4.709 -1.688) 5.715 5.201 ( 0.458 3.096 0.175) 3.134 5.246 ( -0.112 2.392 -2.783) 3.671 5.516 ( -0.324 -2.413 4.079) 4.750 5.695 ( -0.025 -1.141 -3.581) 3.759 5.707 ( 4.523 -3.504 1.969) 6.051 5.768 ( -5.046 -8.396 0.212) 9.798 6.046 ( 3.808 6.770 2.295) 8.099 6.088 ( -3.776 6.767 -0.656) 7.777 6.338 ( 0.849 -3.121 2.124) 3.870 6.462 ( -1.745 -4.779 -2.126) 5.514 6.642 ( 0.225 6.595 0.362) 6.609 6.708 ( 0.381 6.192 -2.516) 6.694 6.891 ( 2.963 -0.555 3.377) 4.527 6.933 ( -4.032 -2.006 0.885) 4.589 7.275 ( -1.570 1.354 3.372) 3.959 7.409 ( 1.082 0.623 -2.944) 3.198 7.696 ( -0.595 -3.412 2.870) 4.498 7.758 ( -0.590 -2.800 1.584) 3.271 7.900 ( 1.104 -1.068 -0.938) 1.799 7.959 ( -0.998 -2.807 -2.238) 3.727 8.455 ( 1.778 2.996 3.771) 5.134 8.706 ( -0.757 -1.704 -9.785) 9.961 11.294 ( -0.345 0.581 1.237) 1.409 11.311 ( 0.703 0.190 0.346) 0.806 13.043 ( -0.396 1.003 0.587) 1.228 13.091 ( 1.416 -0.608 -1.461) 2.124 16.389 ( 0.693 -1.213 0.244) 1.418 16.398 ( -0.612 -1.349 -0.073) 1.483 17.025 ( -2.385 1.713 3.224) 4.361 17.091 ( -2.720 -0.259 2.882) 3.971 17.191 ( 0.866 2.735 -1.920) 3.452 17.310 ( 3.321 -0.311 -5.069) 6.068 17.506 ( -0.916 1.687 1.693) 2.560 17.601 ( 1.557 -0.772 -3.332) 3.758 18.088 ( -1.063 1.486 3.366) 3.830 18.172 ( -0.316 -1.450 -0.299) 1.514 ======================= Grid point 145 (76/112) ======================= q-point: ( 0.11 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 5.959 4.499 18.673) 20.110 1.741 ( 3.562 14.460 15.938) 21.813 1.837 ( 2.098 10.876 -17.326) 20.564 2.039 ( 6.162 -0.514 -18.357) 19.371 2.434 ( -0.148 -1.475 5.628) 5.820 2.651 ( 4.074 -10.694 -3.920) 12.097 2.860 ( -3.270 -4.232 4.548) 7.021 2.913 ( 0.763 -0.346 2.693) 2.820 3.129 ( -0.031 6.746 11.551) 13.377 3.215 ( -2.288 2.747 -9.448) 10.102 3.402 ( -3.656 5.875 -4.657) 8.341 3.526 ( -1.648 -4.794 3.121) 5.953 3.694 ( -7.102 -9.531 6.791) 13.689 3.829 ( -6.926 -4.804 0.801) 8.467 4.023 ( 3.223 -4.847 -3.851) 6.979 4.095 ( 1.350 -2.541 1.221) 3.125 4.127 ( -2.106 3.039 1.890) 4.152 4.206 ( -2.531 1.888 -6.280) 7.029 4.325 ( -1.571 1.995 3.035) 3.957 4.467 ( -3.370 0.550 -2.317) 4.127 4.563 ( -7.883 -0.107 4.283) 8.972 4.802 ( 0.864 5.125 -5.606) 7.644 4.871 ( -0.393 -5.869 0.443) 5.899 5.016 ( 5.961 -1.749 -2.637) 6.749 5.127 ( 0.865 3.169 -3.329) 4.677 5.360 ( 3.849 5.232 0.806) 6.544 5.580 ( -0.414 -2.089 -0.031) 2.130 5.617 ( 1.218 -7.153 1.205) 7.355 5.739 ( 3.855 -0.805 -2.949) 4.920 5.868 ( 6.951 -3.925 2.563) 8.384 6.026 ( -1.775 5.314 -1.046) 5.699 6.142 ( 4.338 6.550 0.901) 7.908 6.378 ( -0.309 -3.639 -0.400) 3.674 6.448 ( 3.382 -4.361 1.835) 5.816 6.631 ( -1.883 5.850 -1.227) 6.267 6.696 ( 1.535 6.302 0.827) 6.538 6.930 ( 3.343 -1.401 -1.056) 3.775 7.006 ( 5.497 -1.049 2.096) 5.976 7.266 ( -3.761 2.521 2.606) 5.224 7.408 ( 2.367 -0.412 -1.891) 3.058 7.708 ( -0.994 -2.791 1.938) 3.540 7.777 ( 1.071 -4.495 0.723) 4.677 7.889 ( -2.602 -1.482 -1.294) 3.262 7.912 ( -1.276 -1.608 0.176) 2.060 8.480 ( -3.637 2.029 0.075) 4.166 8.614 ( 1.319 -1.495 -2.996) 3.599 11.292 ( -1.085 0.734 0.548) 1.420 11.319 ( 0.037 0.059 -0.211) 0.223 13.036 ( -1.334 0.850 0.730) 1.743 13.078 ( -0.416 -0.232 -1.832) 1.893 16.387 ( -0.138 -0.759 -0.214) 0.800 16.416 ( 1.628 -1.662 0.141) 2.331 17.014 ( -2.948 1.993 3.192) 4.780 17.097 ( -0.166 -0.438 1.565) 1.634 17.216 ( 3.895 2.672 -0.908) 4.810 17.345 ( 6.331 -0.650 -3.902) 7.465 17.511 ( -0.750 1.207 1.665) 2.189 17.590 ( 1.544 -0.189 -2.678) 3.097 18.070 ( -4.676 1.139 2.405) 5.380 18.156 ( -1.244 -0.967 0.132) 1.581 ======================= Grid point 146 (77/112) ======================= q-point: ( 0.22 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 7.831 10.571 -13.369) 18.756 1.853 ( 3.338 6.820 -5.884) 9.606 1.985 ( 6.357 10.550 12.699) 17.691 2.135 ( 10.981 1.967 8.434) 13.985 2.453 ( -0.496 -6.623 0.921) 6.705 2.699 ( 4.650 -9.478 -1.027) 10.607 2.840 ( -3.131 -1.285 0.334) 3.401 2.969 ( -2.001 -2.998 5.062) 6.214 3.064 ( -0.575 1.222 -8.390) 8.498 3.160 ( -6.091 4.710 2.600) 8.127 3.368 ( 2.381 3.301 -1.141) 4.227 3.470 ( -6.478 -4.936 3.659) 8.928 3.607 ( -10.974 -6.284 3.733) 13.186 3.770 ( -0.830 -5.982 -0.629) 6.072 3.994 ( -11.607 1.310 -5.680) 12.988 4.024 ( 3.585 -1.939 -6.277) 7.484 4.090 ( -3.275 -1.316 0.094) 3.531 4.162 ( 2.674 -4.330 1.485) 5.301 4.252 ( -6.336 0.049 2.914) 6.974 4.419 ( -1.043 3.649 -0.451) 3.822 4.541 ( -3.504 0.799 4.886) 6.066 4.765 ( 0.185 6.088 -2.749) 6.682 4.875 ( 0.844 -3.576 2.114) 4.239 5.126 ( 8.210 1.424 -1.474) 8.462 5.151 ( 5.994 2.423 -3.206) 7.216 5.356 ( -4.454 1.547 2.206) 5.205 5.556 ( 1.907 -0.729 -0.039) 2.042 5.701 ( 3.191 -1.791 -2.329) 4.338 5.779 ( 3.716 -1.357 -0.890) 4.055 5.957 ( 0.169 8.258 0.025) 8.260 6.046 ( 4.986 -5.126 1.249) 7.259 6.203 ( 2.875 4.971 -0.701) 5.785 6.383 ( 3.062 -0.677 -1.875) 3.654 6.492 ( -1.290 1.110 -0.554) 1.790 6.641 ( 3.328 1.517 2.170) 4.253 6.771 ( 4.657 1.277 2.145) 5.284 6.967 ( 3.584 0.212 -3.700) 5.156 7.113 ( 3.525 -1.900 1.292) 4.207 7.235 ( -1.583 3.212 2.048) 4.126 7.435 ( 2.091 -0.555 -0.658) 2.262 7.719 ( 0.725 -3.944 0.333) 4.024 7.799 ( 0.414 -4.063 0.453) 4.109 7.821 ( -2.876 -0.900 -0.554) 3.064 7.891 ( -3.077 -2.259 1.877) 4.254 8.391 ( -3.176 3.666 -2.250) 5.347 8.631 ( -0.768 -2.529 2.096) 3.373 11.272 ( -1.473 0.695 -0.045) 1.630 11.309 ( -0.412 -0.212 -0.833) 0.953 13.015 ( -1.664 0.665 0.339) 1.824 13.043 ( -1.265 0.254 -1.352) 1.868 16.389 ( 0.510 -0.197 0.052) 0.549 16.445 ( 1.652 -1.989 -0.181) 2.592 17.008 ( -2.054 2.309 3.350) 4.557 17.116 ( 1.272 -0.537 0.195) 1.395 17.287 ( 3.810 1.847 0.850) 4.318 17.409 ( 4.424 -0.654 -2.047) 4.918 17.524 ( 1.040 0.335 0.528) 1.214 17.601 ( 2.694 0.225 -1.518) 3.100 18.000 ( -5.018 1.117 0.256) 5.147 18.123 ( -3.097 -0.755 0.197) 3.194 ======================= Grid point 147 (78/112) ======================= q-point: ( 0.33 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 8.012 10.521 -4.385) 13.932 1.864 ( 11.165 5.830 -8.747) 15.335 2.257 ( 4.336 5.221 11.674) 13.503 2.271 ( 0.459 2.654 0.220) 2.702 2.537 ( 5.172 -2.760 3.987) 7.090 2.724 ( -3.560 -4.304 1.766) 5.858 2.776 ( -1.005 -5.132 -2.892) 5.975 2.925 ( -7.190 2.946 2.688) 8.221 2.964 ( -2.993 -1.463 -5.367) 6.317 3.109 ( -1.180 -0.913 -1.265) 1.956 3.369 ( 0.729 0.914 -1.217) 1.688 3.452 ( -1.260 -7.957 4.762) 9.358 3.490 ( -7.922 -2.897 6.345) 10.555 3.733 ( -7.400 3.647 -4.991) 9.642 3.743 ( -0.373 -8.634 -2.273) 8.936 3.983 ( -0.289 0.084 -4.257) 4.268 4.079 ( 2.386 -9.130 -2.652) 9.802 4.195 ( -0.460 -3.787 -2.497) 4.560 4.252 ( 0.886 1.460 5.745) 5.994 4.367 ( -3.908 5.806 -1.833) 7.235 4.516 ( -3.374 2.442 0.506) 4.195 4.711 ( -3.225 0.710 -1.467) 3.613 4.959 ( 3.702 1.698 4.107) 5.784 5.187 ( 1.825 0.600 -0.795) 2.080 5.276 ( 6.348 5.341 0.172) 8.298 5.343 ( 0.656 1.033 4.978) 5.126 5.609 ( 1.755 5.228 2.107) 5.903 5.702 ( 1.840 -2.157 -2.600) 3.847 5.822 ( 2.383 -3.292 -0.958) 4.176 5.956 ( 0.206 8.692 0.702) 8.723 6.118 ( 1.691 -2.936 -0.362) 3.407 6.257 ( 4.399 3.076 -0.735) 5.418 6.385 ( -0.005 1.741 -3.197) 3.640 6.473 ( 1.191 -1.168 -1.752) 2.419 6.718 ( 2.379 3.453 1.817) 4.570 6.863 ( 3.416 -1.834 -1.487) 4.153 6.987 ( 3.194 1.142 -0.570) 3.439 7.135 ( -0.515 -0.638 0.012) 0.820 7.282 ( 2.242 1.262 3.107) 4.034 7.461 ( 1.773 -0.803 -0.487) 2.006 7.731 ( 0.993 -3.678 -1.104) 3.967 7.778 ( -0.751 -1.173 -0.024) 1.393 7.810 ( -2.014 -2.599 1.732) 3.716 7.855 ( -2.905 -3.528 1.558) 4.829 8.341 ( -0.931 3.663 -0.035) 3.780 8.616 ( -2.995 -2.720 0.897) 4.144 11.246 ( -1.144 0.708 -0.241) 1.367 11.289 ( -0.462 -0.293 -1.179) 1.300 12.993 ( -1.200 0.631 0.172) 1.367 13.011 ( -0.957 0.453 -0.696) 1.267 16.404 ( 0.720 0.040 0.701) 1.006 16.466 ( 1.249 -1.986 -0.416) 2.383 17.021 ( -1.492 2.348 3.902) 4.792 17.147 ( 2.107 -0.741 0.122) 2.237 17.350 ( 1.039 0.953 2.475) 2.848 17.449 ( 2.389 0.286 0.030) 2.406 17.557 ( 2.175 -0.472 -0.264) 2.241 17.641 ( 3.578 0.835 -1.601) 4.008 17.911 ( -3.913 0.917 -2.053) 4.513 18.052 ( -4.115 -0.653 -1.564) 4.451 ======================= Grid point 148 (79/112) ======================= q-point: ( 0.44 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 5.643 4.710 -1.844) 7.578 2.054 ( 13.793 4.593 0.819) 14.561 2.122 ( -9.331 3.979 -4.081) 10.934 2.470 ( 0.004 4.007 4.993) 6.402 2.605 ( 0.099 -1.911 -0.960) 2.141 2.640 ( -1.274 2.940 -0.498) 3.242 2.704 ( -2.305 -5.244 -1.330) 5.880 2.850 ( -2.371 -0.802 -0.460) 2.545 2.903 ( -2.244 -5.286 0.243) 5.748 3.043 ( -0.080 0.622 -5.322) 5.359 3.383 ( -2.874 -0.002 4.962) 5.734 3.478 ( -5.012 -1.724 9.991) 11.310 3.560 ( 2.893 -5.984 7.491) 10.015 3.621 ( 3.081 5.801 -7.014) 9.610 3.732 ( -0.997 -8.957 1.541) 9.144 3.936 ( 0.592 -3.739 -4.631) 5.981 4.076 ( -0.973 -11.224 -1.922) 11.429 4.159 ( 2.691 -0.675 -4.819) 5.561 4.241 ( -5.618 6.598 -3.382) 9.303 4.315 ( -0.537 0.188 0.412) 0.702 4.456 ( -2.272 3.824 0.609) 4.490 4.656 ( 1.161 -0.664 -3.333) 3.591 5.067 ( 2.545 2.302 3.956) 5.237 5.183 ( -1.418 -1.943 0.598) 2.479 5.353 ( 2.238 8.284 2.703) 8.996 5.454 ( 2.847 7.745 3.120) 8.822 5.657 ( -0.222 3.087 4.581) 5.528 5.720 ( 2.473 -3.273 -1.031) 4.230 5.852 ( 2.503 -3.328 -0.105) 4.165 5.984 ( -0.763 8.898 3.477) 9.584 6.113 ( 0.415 -1.975 -2.343) 3.092 6.281 ( -0.106 7.165 -3.722) 8.075 6.362 ( 2.191 -4.547 -2.233) 5.519 6.451 ( -0.137 -3.078 -4.098) 5.127 6.766 ( 0.858 4.589 1.467) 4.894 6.851 ( -0.490 1.147 -2.835) 3.097 7.042 ( 0.648 -0.779 1.902) 2.155 7.131 ( 0.869 -1.176 -0.652) 1.601 7.355 ( 1.675 0.719 3.279) 3.751 7.481 ( 1.048 -0.457 -0.734) 1.358 7.733 ( 0.843 -2.327 -0.278) 2.491 7.769 ( -3.673 -1.574 1.053) 4.133 7.788 ( 0.447 -2.057 1.168) 2.407 7.833 ( -1.191 -4.171 -0.046) 4.338 8.360 ( 1.537 2.071 2.361) 3.496 8.557 ( -3.060 -2.476 -1.666) 4.274 11.232 ( -0.353 0.868 0.018) 0.938 11.268 ( -0.144 -0.040 -1.333) 1.341 12.981 ( -0.559 0.699 0.336) 0.956 12.998 ( 0.163 0.427 -0.417) 0.618 16.425 ( 0.302 -0.101 1.180) 1.222 16.477 ( 0.618 -1.740 -0.632) 1.951 17.045 ( -1.517 2.035 4.473) 5.143 17.181 ( 1.551 -1.438 -0.222) 2.127 17.391 ( 0.294 1.768 3.592) 4.014 17.501 ( 1.801 0.524 2.043) 2.774 17.574 ( 0.298 0.047 -1.293) 1.328 17.674 ( 2.584 0.547 -1.587) 3.082 17.828 ( -1.843 0.464 -3.082) 3.621 17.955 ( -3.175 -0.429 -3.606) 4.824 ======================= Grid point 149 (80/112) ======================= q-point: (-0.44 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -12.403 6.901 -0.605) 14.206 1.952 ( -1.079 2.825 -1.525) 3.387 2.292 ( -5.882 7.519 -1.887) 9.731 2.352 ( 10.864 0.311 4.298) 11.687 2.611 ( -3.755 -7.017 1.670) 8.132 2.717 ( 3.315 0.807 0.916) 3.532 2.744 ( -1.194 -0.331 -4.860) 5.016 2.776 ( 9.279 -1.920 -0.708) 9.502 2.881 ( -2.785 -2.409 0.822) 3.773 3.014 ( 3.052 1.770 -4.063) 5.381 3.376 ( -4.408 2.641 6.090) 7.968 3.509 ( -4.955 -0.756 7.204) 8.776 3.569 ( -0.265 4.617 -0.696) 4.676 3.671 ( -5.284 -4.700 5.106) 8.723 3.775 ( 5.399 -7.146 -1.949) 9.166 3.904 ( 3.015 -8.458 -3.588) 9.670 4.009 ( -3.710 -7.811 -0.404) 8.657 4.094 ( -2.865 -4.241 -5.724) 7.679 4.175 ( -1.047 3.968 0.550) 4.140 4.307 ( 5.749 5.239 -3.296) 8.448 4.476 ( 0.126 1.287 4.090) 4.290 4.690 ( 8.046 0.868 -5.042) 9.535 5.109 ( -2.113 1.399 2.257) 3.394 5.178 ( 0.530 -0.240 0.248) 0.633 5.418 ( 0.277 7.909 3.490) 8.649 5.476 ( -0.343 9.090 -1.530) 9.224 5.692 ( -1.826 -2.109 2.709) 3.888 5.751 ( 2.082 -3.534 -0.729) 4.166 5.913 ( -1.798 0.793 3.606) 4.106 5.951 ( -2.517 3.230 0.367) 4.111 6.126 ( 1.084 3.083 2.173) 3.924 6.195 ( -2.544 4.907 -5.745) 7.972 6.378 ( 1.852 -4.066 -1.818) 4.823 6.388 ( -0.811 -3.456 -4.195) 5.496 6.773 ( -2.176 3.616 1.232) 4.397 6.806 ( -1.804 3.337 -0.597) 3.840 7.053 ( -1.628 -0.354 1.960) 2.572 7.139 ( 1.059 -2.410 -1.770) 3.172 7.405 ( -0.781 0.688 3.379) 3.536 7.464 ( -1.019 0.078 -2.061) 2.301 7.723 ( -2.696 -1.566 0.695) 3.195 7.769 ( 2.077 -1.501 0.767) 2.675 7.794 ( -0.661 -3.669 0.611) 3.778 7.830 ( 1.427 -2.911 0.241) 3.251 8.428 ( 0.400 0.499 2.331) 2.418 8.505 ( 2.489 -1.804 -2.075) 3.709 11.232 ( 0.008 0.916 0.222) 0.943 11.257 ( 0.666 0.304 -1.159) 1.370 12.980 ( 0.049 0.810 0.354) 0.885 13.004 ( 1.210 0.346 -0.670) 1.426 16.439 ( -0.424 -0.522 1.235) 1.406 16.471 ( -0.249 -1.421 -0.956) 1.731 17.067 ( -2.296 1.703 4.524) 5.352 17.187 ( 0.223 -1.283 -1.310) 1.847 17.456 ( 1.441 2.146 4.387) 5.092 17.531 ( -0.566 0.962 -2.254) 2.515 17.541 ( -2.075 0.305 2.013) 2.908 17.677 ( 0.402 -2.174 -3.998) 4.568 17.802 ( 0.896 1.630 1.492) 2.385 17.882 ( 0.693 0.067 -4.261) 4.317 ======================= Grid point 150 (81/112) ======================= q-point: (-0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -13.685 12.546 2.350) 18.714 1.813 ( -14.823 11.929 -0.020) 19.027 2.271 ( 6.726 4.030 -3.688) 8.665 2.539 ( -2.684 -11.178 -0.491) 11.506 2.596 ( -9.557 8.181 -2.113) 12.757 2.615 ( 2.851 2.606 7.539) 8.471 2.748 ( 2.887 1.679 -1.462) 3.646 2.870 ( 3.130 -8.607 0.996) 9.212 2.968 ( 6.966 -0.063 0.954) 7.032 3.052 ( 7.681 2.202 -3.621) 8.772 3.406 ( -0.325 3.210 6.920) 7.635 3.498 ( -2.350 -0.848 2.683) 3.666 3.532 ( -1.952 -3.485 -1.598) 4.302 3.608 ( -4.153 -1.524 0.309) 4.435 3.787 ( -0.621 -7.241 0.118) 7.269 3.934 ( 3.732 -9.855 -5.570) 11.920 3.972 ( -2.005 -6.131 2.860) 7.056 3.980 ( -2.474 -8.373 -1.246) 8.819 4.270 ( 5.968 5.400 6.308) 10.225 4.399 ( 6.786 6.402 -1.288) 9.418 4.545 ( 5.055 2.746 -0.327) 5.762 4.780 ( 7.539 2.198 -4.151) 8.882 5.079 ( -2.209 -0.624 -0.234) 2.307 5.178 ( -1.658 1.497 0.393) 2.268 5.371 ( -4.280 4.608 -4.170) 7.546 5.479 ( -0.102 7.825 1.008) 7.891 5.625 ( -8.545 -4.006 0.093) 9.438 5.750 ( -0.625 -2.264 -3.457) 4.180 5.814 ( -1.840 -2.088 -2.124) 3.501 6.003 ( -2.293 3.753 4.930) 6.606 6.074 ( -2.859 1.662 -3.237) 4.627 6.179 ( -0.697 6.545 4.030) 7.718 6.348 ( 0.786 -2.194 -1.814) 2.953 6.385 ( 0.745 -3.757 -0.674) 3.889 6.726 ( -3.810 3.806 0.779) 5.442 6.780 ( -2.388 3.795 1.669) 4.784 7.019 ( -4.209 0.006 -0.359) 4.224 7.123 ( -1.081 -2.920 -0.385) 3.138 7.394 ( -3.667 -0.646 1.062) 3.872 7.430 ( 0.215 0.823 -1.270) 1.529 7.694 ( -1.938 -1.262 0.884) 2.476 7.750 ( -2.389 -1.165 0.456) 2.697 7.859 ( 4.261 -3.554 1.096) 5.656 7.869 ( 2.581 -3.182 -0.014) 4.097 8.398 ( -1.094 1.324 -2.159) 2.759 8.619 ( 8.032 -1.895 1.212) 8.341 11.235 ( 0.293 0.757 0.137) 0.823 11.264 ( 1.063 0.335 -0.417) 1.190 12.991 ( 0.812 0.896 0.276) 1.241 13.019 ( 1.639 0.379 -1.129) 2.026 16.437 ( -1.209 -1.059 0.575) 1.707 16.448 ( -0.976 -1.106 -0.734) 1.648 17.067 ( -3.311 1.844 3.726) 5.314 17.166 ( -0.107 -0.142 -2.131) 2.138 17.474 ( -0.897 0.803 -2.372) 2.660 17.484 ( -6.196 -3.024 1.627) 7.084 17.537 ( 0.449 1.487 1.165) 1.941 17.627 ( 0.314 -1.194 -3.618) 3.823 17.847 ( 2.792 2.126 0.181) 3.514 17.923 ( 4.861 0.705 2.673) 5.593 ======================= Grid point 151 (82/112) ======================= q-point: (-0.22 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -9.085 17.099 9.241) 21.455 1.512 ( -15.807 20.202 -4.376) 26.022 2.269 ( -10.774 13.957 8.373) 19.518 2.421 ( -3.969 5.480 -6.921) 9.679 2.485 ( 0.877 -9.014 -2.009) 9.277 2.693 ( 0.397 8.396 0.884) 8.451 2.767 ( -1.888 -6.565 2.519) 7.281 2.886 ( -2.339 -9.361 -1.539) 9.771 3.103 ( 4.626 1.673 -0.367) 4.933 3.170 ( 10.089 0.705 -1.224) 10.187 3.441 ( -0.624 -4.987 -4.648) 6.845 3.520 ( 5.156 -4.311 3.905) 7.773 3.544 ( 1.410 -4.401 3.915) 6.057 3.631 ( 5.146 -0.699 4.556) 6.909 3.797 ( -1.974 -5.765 4.922) 7.833 3.894 ( 0.520 -6.255 -1.404) 6.432 4.010 ( 3.305 -6.775 1.800) 7.750 4.036 ( 6.272 -7.462 1.228) 9.824 4.410 ( 1.695 5.599 2.579) 6.393 4.508 ( 7.284 7.595 -0.867) 10.559 4.632 ( 7.034 4.039 -2.259) 8.420 4.813 ( 0.697 4.742 -4.236) 6.397 5.031 ( -0.573 -3.492 -3.448) 4.940 5.123 ( -4.691 0.153 -0.674) 4.742 5.199 ( -8.200 2.338 -6.252) 10.573 5.455 ( -0.464 2.588 -2.799) 3.840 5.493 ( -7.600 -3.151 4.621) 9.436 5.677 ( -1.892 -1.184 -3.905) 4.498 5.787 ( -0.912 -2.834 -1.018) 3.147 5.954 ( -2.583 6.813 -1.306) 7.402 6.033 ( -5.132 -4.593 3.486) 7.719 6.190 ( -1.726 7.546 1.696) 7.925 6.361 ( 0.026 1.856 -0.599) 1.951 6.403 ( 2.146 -4.296 1.794) 5.126 6.679 ( -2.693 4.214 1.169) 5.136 6.759 ( -2.405 1.789 1.698) 3.445 6.908 ( -6.557 1.149 -0.994) 6.730 7.097 ( -2.834 -3.570 1.292) 4.738 7.330 ( -3.867 -0.598 -0.518) 3.947 7.428 ( 0.732 1.224 -1.060) 1.777 7.674 ( -1.723 -2.295 1.206) 3.113 7.728 ( -1.506 -0.443 2.136) 2.651 7.901 ( 1.908 -3.207 -1.588) 4.056 7.937 ( 3.730 -3.651 -0.005) 5.220 8.369 ( 0.340 4.447 -1.268) 4.637 8.756 ( 7.789 -2.896 -2.542) 8.690 11.249 ( 0.735 0.507 0.820) 1.212 11.278 ( 0.765 0.145 0.033) 0.779 13.017 ( 1.731 0.653 0.339) 1.881 13.033 ( 1.604 0.694 -1.133) 2.083 16.408 ( -1.385 -0.875 -0.754) 1.804 16.430 ( -1.270 -1.501 0.520) 2.034 17.046 ( -3.435 2.100 3.050) 5.051 17.139 ( 0.122 0.469 -2.279) 2.330 17.365 ( -7.888 -2.191 0.120) 8.188 17.424 ( -1.607 -1.593 -3.159) 3.885 17.525 ( -1.571 1.247 -0.277) 2.025 17.612 ( 1.734 -0.996 -2.730) 3.384 17.930 ( 4.825 2.885 2.064) 5.989 18.052 ( 4.607 -0.076 4.192) 6.230 ======================= Grid point 152 (83/112) ======================= q-point: (-0.11 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -10.377 22.996 2.430) 25.346 1.424 ( -4.963 17.310 13.867) 22.728 2.233 ( -9.169 18.586 15.546) 25.907 2.260 ( -2.250 2.842 -9.726) 10.380 2.446 ( -2.470 -4.835 -9.809) 11.212 2.607 ( 0.999 -4.501 -8.017) 9.248 2.808 ( -0.191 -2.558 5.719) 6.268 2.854 ( -1.668 -4.006 3.498) 5.574 3.086 ( -2.271 0.630 -3.915) 4.570 3.274 ( 3.430 1.210 0.574) 3.682 3.437 ( 2.994 -6.316 -2.627) 7.467 3.605 ( 0.915 -0.248 0.699) 1.178 3.674 ( 2.505 -7.699 7.166) 10.813 3.812 ( 5.605 -3.998 5.263) 8.666 3.845 ( 4.481 -4.898 3.470) 7.491 3.923 ( 2.756 -4.914 0.830) 5.695 4.097 ( 4.536 -5.175 -0.409) 6.893 4.240 ( 12.096 -1.818 2.705) 12.528 4.387 ( -5.603 2.961 1.174) 6.446 4.584 ( 5.764 7.046 -5.018) 10.395 4.709 ( -0.831 3.752 -2.451) 4.558 4.753 ( 5.381 4.161 -2.525) 7.256 4.888 ( -11.475 -1.062 -6.054) 13.017 4.986 ( -0.280 -4.765 -2.962) 5.617 5.149 ( 2.366 2.283 -0.039) 3.289 5.373 ( -7.342 5.144 0.041) 8.965 5.484 ( 0.034 -6.731 2.302) 7.114 5.632 ( 0.809 -2.285 0.067) 2.425 5.743 ( -1.981 -2.980 -1.997) 4.098 5.892 ( -7.012 -0.399 1.463) 7.174 5.986 ( -0.539 1.724 1.094) 2.112 6.160 ( -3.350 7.381 0.113) 8.106 6.334 ( -0.721 -0.973 -1.105) 1.640 6.472 ( 1.455 -1.997 2.052) 3.212 6.653 ( -0.565 3.271 -1.600) 3.685 6.733 ( -2.030 3.131 0.148) 3.735 6.831 ( -2.000 1.221 3.074) 3.865 7.034 ( -6.679 -3.768 1.129) 7.751 7.273 ( -1.792 0.945 0.511) 2.090 7.424 ( 0.636 1.365 -1.761) 2.317 7.672 ( -0.694 -3.528 2.314) 4.276 7.744 ( -0.882 -0.835 3.246) 3.466 7.900 ( 1.374 -2.071 -2.763) 3.716 7.976 ( 1.583 -3.563 -1.374) 4.134 8.388 ( 1.887 5.603 1.290) 6.051 8.796 ( 3.556 -3.063 -7.949) 9.231 11.276 ( 0.519 0.373 1.510) 1.640 11.293 ( 0.762 0.161 0.354) 0.855 13.038 ( 0.598 0.796 -0.130) 1.004 13.064 ( 2.705 0.048 -0.399) 2.734 16.385 ( -0.420 -0.856 -0.223) 0.979 16.414 ( -1.192 -1.688 0.278) 2.085 17.028 ( -2.615 1.995 3.028) 4.471 17.116 ( -1.168 -0.211 -0.477) 1.279 17.242 ( -5.710 0.674 -0.006) 5.749 17.350 ( -0.745 -0.882 -4.869) 5.004 17.506 ( -1.040 1.819 0.891) 2.277 17.610 ( 1.877 -1.249 -3.191) 3.907 18.032 ( 3.040 2.109 2.903) 4.702 18.151 ( 2.232 -1.287 1.876) 3.187 ======================= Grid point 153 (84/112) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.362 17.085 3.139) 17.375 1.813 ( 3.090 6.061 2.385) 7.209 2.079 ( -4.340 -3.789 -3.610) 6.799 2.168 ( 0.960 -2.151 -4.916) 5.451 2.375 ( -0.056 0.826 -8.639) 8.679 2.455 ( 1.941 -6.187 -5.771) 8.680 2.813 ( -3.750 -0.039 2.178) 4.337 2.856 ( 0.066 -2.519 2.895) 3.838 3.191 ( 0.750 8.801 6.281) 10.838 3.318 ( -2.724 -5.374 2.211) 6.417 3.430 ( 1.835 3.899 4.372) 6.139 3.499 ( -2.385 -4.714 5.466) 7.602 3.661 ( -4.442 3.682 1.664) 6.005 3.767 ( -1.823 -8.262 0.907) 8.509 3.901 ( 4.416 -0.432 1.902) 4.827 3.946 ( 2.067 -3.084 2.460) 4.453 4.225 ( 3.751 4.842 -0.250) 6.129 4.308 ( -0.468 -3.344 0.085) 3.377 4.411 ( -3.010 6.450 2.595) 7.576 4.516 ( -3.390 -3.415 -0.675) 4.859 4.704 ( -2.741 3.954 -3.826) 6.147 4.791 ( 0.163 -3.343 -3.721) 5.004 4.865 ( 6.918 1.776 -6.146) 9.422 4.902 ( 4.072 -2.572 -4.091) 6.319 5.257 ( 0.876 2.513 0.843) 2.792 5.284 ( 0.415 0.482 -0.486) 0.800 5.492 ( 0.154 1.151 2.769) 3.003 5.588 ( -4.903 -7.801 0.443) 9.225 5.666 ( 1.279 -0.007 0.329) 1.321 5.684 ( 2.573 -1.279 -1.336) 3.169 6.163 ( 2.701 5.206 1.257) 5.999 6.214 ( -2.625 5.649 -1.063) 6.319 6.264 ( -0.065 -3.572 1.181) 3.763 6.350 ( -2.300 -6.364 -1.472) 6.925 6.785 ( -0.698 6.504 1.281) 6.666 6.822 ( 1.610 4.384 -0.545) 4.702 6.874 ( 3.928 -1.713 2.165) 4.801 6.885 ( -4.266 -2.762 1.065) 5.193 7.337 ( -0.383 4.442 1.979) 4.878 7.410 ( 0.003 -1.709 -1.166) 2.069 7.641 ( 0.095 -0.703 1.106) 1.314 7.684 ( -0.794 -4.029 -0.206) 4.111 7.891 ( 0.126 0.229 -0.189) 0.322 7.911 ( -0.615 -1.821 -0.851) 2.102 8.531 ( 0.514 4.615 -0.381) 4.659 8.631 ( -0.436 -5.084 -5.510) 7.509 11.305 ( 0.035 0.474 1.019) 1.124 11.311 ( 0.425 -0.178 0.661) 0.806 13.060 ( 0.022 0.799 0.136) 0.811 13.076 ( 0.663 -0.815 -0.504) 1.166 16.372 ( 0.248 -0.398 0.146) 0.491 16.376 ( -0.095 -0.742 0.021) 0.749 17.058 ( -2.557 1.446 3.334) 4.443 17.080 ( -2.666 -0.835 3.301) 4.324 17.245 ( 1.965 2.604 -3.295) 4.636 17.289 ( 2.740 -1.737 -4.355) 5.431 17.544 ( -0.149 1.984 0.319) 2.015 17.579 ( 0.846 -1.476 -1.458) 2.241 18.118 ( -0.618 1.502 1.826) 2.443 18.146 ( -0.497 -1.268 0.687) 1.525 ======================= Grid point 154 (85/112) ======================= q-point: ( 0.11 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 5.934 8.392 5.340) 11.582 1.894 ( 9.453 -4.010 -6.094) 11.941 2.064 ( 2.472 12.136 4.823) 13.291 2.114 ( 1.104 9.839 -7.338) 12.324 2.328 ( -0.092 -6.839 -0.588) 6.865 2.422 ( 2.985 -12.091 -4.606) 13.279 2.810 ( -1.534 0.604 4.951) 5.219 2.873 ( 0.338 -4.004 0.182) 4.023 3.247 ( -3.953 2.925 1.373) 5.106 3.258 ( -4.559 1.599 3.323) 5.864 3.484 ( -2.726 0.635 3.759) 4.687 3.517 ( 0.132 -0.388 0.918) 1.005 3.550 ( -10.071 2.590 3.857) 11.091 3.680 ( -5.543 -8.144 -1.079) 9.911 3.986 ( 2.999 -0.985 -0.316) 3.172 4.002 ( 1.781 -3.134 1.132) 3.779 4.210 ( -4.604 2.084 0.443) 5.073 4.229 ( -5.793 0.223 -0.786) 5.851 4.405 ( -2.949 5.481 0.687) 6.262 4.482 ( -2.798 -0.983 -2.205) 3.696 4.600 ( -5.055 4.571 2.389) 7.222 4.733 ( -2.696 -7.560 0.882) 8.074 4.891 ( 6.369 4.448 -6.186) 9.930 4.973 ( 10.666 -3.119 -6.267) 12.758 5.226 ( -0.382 6.959 -1.687) 7.171 5.405 ( 0.860 -10.273 -1.109) 10.368 5.477 ( 1.314 5.450 2.013) 5.957 5.564 ( 3.864 -2.493 2.253) 5.121 5.734 ( 5.059 0.446 -2.415) 5.623 5.772 ( 7.410 -3.859 0.244) 8.358 6.142 ( -2.320 6.129 -0.836) 6.606 6.240 ( 1.419 0.949 -0.386) 1.750 6.294 ( 2.296 -2.014 1.747) 3.519 6.359 ( 4.152 -4.495 2.026) 6.446 6.752 ( -2.321 5.258 -0.042) 5.748 6.803 ( -2.683 1.521 0.777) 3.181 6.924 ( 5.754 1.967 -0.946) 6.154 6.977 ( 5.488 -2.127 0.860) 5.948 7.341 ( -1.916 4.327 1.462) 4.953 7.399 ( 0.384 -1.133 -0.686) 1.379 7.655 ( -0.023 -1.682 0.475) 1.748 7.679 ( 0.787 -4.161 0.301) 4.245 7.872 ( -2.512 -0.173 -0.112) 2.521 7.883 ( -1.876 -1.187 0.375) 2.252 8.520 ( -1.991 2.187 -0.355) 2.979 8.570 ( -0.364 -2.654 -1.916) 3.293 11.306 ( -0.781 0.643 0.271) 1.047 11.316 ( -0.361 -0.339 -0.026) 0.496 13.053 ( -1.016 0.830 0.048) 1.313 13.068 ( -0.622 -0.716 -0.783) 1.230 16.378 ( 0.565 -0.034 -0.119) 0.579 16.388 ( 1.165 -1.034 -0.021) 1.558 17.052 ( -2.342 1.786 3.143) 4.307 17.082 ( -1.424 -1.135 2.700) 3.256 17.270 ( 4.621 2.622 -2.449) 5.850 17.317 ( 5.552 -2.038 -3.531) 6.888 17.544 ( -0.189 1.856 0.264) 1.884 17.576 ( 0.855 -1.249 -1.299) 1.994 18.100 ( -3.404 1.752 1.354) 4.061 18.133 ( -1.976 -1.443 0.810) 2.577 ======================= Grid point 155 (86/112) ======================= q-point: ( 0.22 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 7.575 7.969 -4.616) 11.925 1.959 ( 3.021 -0.179 -8.136) 8.680 2.133 ( 7.416 6.081 4.822) 10.735 2.230 ( 3.274 3.532 5.849) 7.576 2.332 ( 3.333 -0.622 3.611) 4.953 2.497 ( 5.905 -10.417 1.776) 12.105 2.846 ( -0.058 1.715 0.115) 1.720 2.898 ( 1.879 -3.344 3.213) 5.004 3.112 ( -7.111 3.346 -4.096) 8.862 3.185 ( -8.534 -2.951 1.667) 9.182 3.415 ( -8.640 0.888 3.274) 9.282 3.448 ( -6.909 0.402 3.618) 7.809 3.526 ( -1.648 0.902 1.411) 2.350 3.620 ( -0.506 -6.775 -1.854) 7.042 3.955 ( -6.282 -1.948 -3.421) 7.414 3.966 ( -1.853 -3.376 -4.314) 5.783 4.101 ( -3.572 2.218 -4.988) 6.523 4.132 ( -0.742 -1.043 -4.371) 4.555 4.343 ( -4.651 6.657 5.798) 9.978 4.444 ( -2.144 -2.526 3.603) 4.895 4.584 ( -2.731 4.699 3.281) 6.348 4.706 ( -3.658 -6.785 1.559) 7.864 4.983 ( 9.040 9.181 -2.062) 13.049 5.121 ( 12.909 -3.428 -3.716) 13.864 5.205 ( 1.684 3.599 -1.985) 4.442 5.304 ( -5.454 -5.808 -0.100) 7.968 5.606 ( 5.685 4.216 1.594) 7.255 5.666 ( 5.347 -1.756 -1.324) 5.781 5.779 ( 3.183 2.615 -2.052) 4.602 5.896 ( 5.903 -7.968 0.975) 9.964 6.112 ( -0.073 6.934 -0.903) 6.993 6.226 ( 0.190 -3.297 -1.498) 3.626 6.388 ( 4.569 2.617 0.785) 5.323 6.461 ( 2.963 -3.683 1.552) 4.975 6.732 ( 0.771 5.437 0.964) 5.575 6.799 ( 0.763 -0.560 1.457) 1.737 6.998 ( 4.595 3.246 -2.138) 6.018 7.066 ( 4.150 -2.983 -0.450) 5.130 7.320 ( -1.200 4.966 0.801) 5.172 7.404 ( 0.151 -2.886 0.393) 2.917 7.663 ( 1.117 -0.696 -0.230) 1.335 7.706 ( 1.085 -4.427 0.809) 4.629 7.821 ( -3.107 0.737 0.464) 3.227 7.848 ( -3.115 -1.872 1.019) 3.774 8.470 ( -2.458 4.323 -0.581) 5.007 8.559 ( -1.584 -4.418 1.388) 4.894 11.287 ( -1.202 0.778 -0.382) 1.482 11.301 ( -0.808 -0.580 -0.653) 1.189 13.030 ( -1.463 0.720 -0.126) 1.635 13.042 ( -1.312 -0.408 -0.693) 1.538 16.391 ( 1.063 0.480 -0.085) 1.170 16.410 ( 1.440 -1.423 -0.175) 2.032 17.055 ( -1.522 2.293 3.138) 4.174 17.095 ( -0.362 -1.574 2.200) 2.729 17.330 ( 4.249 2.382 -1.024) 4.978 17.377 ( 4.891 -2.250 -2.258) 5.838 17.550 ( 1.067 1.919 -0.169) 2.202 17.586 ( 2.280 -1.509 -1.194) 2.983 18.042 ( -4.321 2.743 0.249) 5.124 18.093 ( -3.435 -2.170 0.276) 4.072 ======================= Grid point 156 (87/112) ======================= q-point: ( 0.33 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 1.861 6.336 -3.629) 7.535 1.956 ( 6.174 1.081 -3.469) 7.164 2.280 ( 0.916 2.079 2.393) 3.299 2.336 ( 8.552 -0.037 3.937) 9.414 2.523 ( 4.392 1.237 7.958) 9.173 2.599 ( 1.845 -6.057 2.717) 6.890 2.773 ( -3.572 4.817 -6.608) 8.924 2.899 ( -5.563 -5.360 -8.333) 11.363 2.999 ( -2.777 3.843 5.559) 7.306 3.087 ( -3.327 -3.083 0.943) 4.633 3.337 ( -3.827 -1.147 5.335) 6.665 3.379 ( -5.220 -2.607 4.502) 7.370 3.494 ( -1.857 4.039 0.193) 4.450 3.588 ( -1.475 -5.542 -0.354) 5.746 3.795 ( -4.224 2.380 -4.416) 6.558 3.887 ( -1.687 -7.588 -3.538) 8.541 4.022 ( 1.018 3.502 -4.904) 6.111 4.107 ( 2.683 -4.533 -4.257) 6.773 4.358 ( -1.997 6.415 4.575) 8.128 4.438 ( -2.866 -0.047 1.286) 3.141 4.559 ( -2.974 2.480 0.778) 3.949 4.636 ( -5.037 -5.359 -0.359) 7.363 5.078 ( 1.573 7.535 2.192) 8.003 5.183 ( -1.669 -2.223 -0.315) 2.797 5.326 ( 8.141 0.542 1.797) 8.354 5.349 ( 11.806 -0.444 1.646) 11.928 5.665 ( 1.691 1.133 -1.708) 2.657 5.719 ( 3.146 -2.561 -1.590) 4.357 5.802 ( 1.153 7.517 -0.243) 7.609 5.985 ( 2.772 -9.144 0.828) 9.591 6.108 ( 0.501 7.063 -0.522) 7.100 6.228 ( 1.995 -4.381 -1.471) 5.034 6.434 ( 1.037 2.202 -1.707) 2.973 6.468 ( -0.645 -0.681 -2.170) 2.365 6.804 ( 3.434 3.870 2.632) 5.805 6.851 ( 2.906 -0.648 0.806) 3.085 7.032 ( 2.110 3.360 -1.357) 4.193 7.100 ( 1.100 -2.897 -1.200) 3.323 7.334 ( 0.904 3.886 1.893) 4.416 7.415 ( 0.717 -3.654 0.626) 3.776 7.687 ( 1.709 -0.056 -0.087) 1.712 7.729 ( 0.973 -3.528 0.172) 3.663 7.783 ( -2.616 0.153 1.277) 2.915 7.802 ( -3.482 -1.690 0.874) 3.968 8.429 ( -1.906 5.105 0.139) 5.451 8.535 ( -2.786 -5.163 0.846) 5.927 11.263 ( -0.868 0.880 -0.493) 1.331 11.279 ( -0.642 -0.698 -0.807) 1.245 13.006 ( -1.085 0.610 -0.041) 1.246 13.014 ( -1.032 -0.170 -0.359) 1.106 16.411 ( 1.058 0.633 0.233) 1.254 16.431 ( 1.236 -1.452 -0.151) 1.913 17.072 ( -1.189 2.622 3.462) 4.502 17.119 ( 0.016 -2.026 2.282) 3.051 17.383 ( 2.145 2.173 0.951) 3.199 17.428 ( 3.072 -2.096 -0.231) 3.726 17.577 ( 2.517 2.155 -1.006) 3.463 17.623 ( 3.724 -2.113 -2.071) 4.756 17.961 ( -4.245 3.381 -1.391) 5.602 18.021 ( -4.063 -2.437 -1.412) 4.943 ======================= Grid point 157 (88/112) ======================= q-point: ( 0.44 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 3.604 6.091 -0.803) 7.123 2.027 ( 3.747 -4.935 -0.521) 6.219 2.278 ( -3.978 9.739 0.064) 10.520 2.471 ( -0.328 -7.447 0.505) 7.472 2.579 ( -1.756 0.483 1.076) 2.115 2.633 ( 2.803 -0.101 -4.295) 5.129 2.642 ( -1.570 1.125 -1.301) 2.329 2.752 ( 0.335 -6.506 -5.291) 8.393 2.962 ( -4.051 7.243 3.694) 9.084 3.066 ( -1.342 -1.478 -0.480) 2.054 3.392 ( -0.140 0.426 6.875) 6.890 3.426 ( -1.358 -3.387 10.785) 11.386 3.522 ( 0.972 2.135 4.698) 5.251 3.581 ( -0.150 -4.791 2.621) 5.463 3.711 ( 0.066 3.465 -4.319) 5.537 3.825 ( -0.762 -7.792 -3.733) 8.674 3.988 ( -0.351 3.469 -3.870) 5.209 4.092 ( 1.301 -5.266 -5.623) 7.813 4.354 ( -3.288 5.473 -1.024) 6.466 4.397 ( 0.283 4.102 0.721) 4.175 4.491 ( -4.324 0.568 -1.702) 4.681 4.573 ( 1.430 -6.158 -2.113) 6.666 5.125 ( 0.895 2.735 2.560) 3.851 5.160 ( -1.556 -0.937 1.420) 2.306 5.507 ( 7.137 6.106 3.814) 10.137 5.545 ( 5.081 2.098 4.720) 7.245 5.663 ( 0.900 -1.074 -1.785) 2.269 5.743 ( 2.307 -6.506 -1.047) 6.981 5.804 ( -0.662 9.827 0.148) 9.850 5.997 ( -1.530 -8.161 -0.961) 8.359 6.133 ( 1.895 5.864 1.606) 6.368 6.249 ( 2.128 -5.828 -1.128) 6.306 6.386 ( -1.770 3.001 -4.412) 5.622 6.417 ( -1.008 -0.826 -4.386) 4.576 6.868 ( 0.408 3.653 1.949) 4.161 6.888 ( 0.468 1.409 0.269) 1.508 7.048 ( 0.805 1.633 -0.162) 1.828 7.095 ( 0.442 -2.437 -1.104) 2.712 7.385 ( 1.461 2.521 2.676) 3.956 7.445 ( 1.171 -2.940 0.998) 3.318 7.704 ( 0.270 0.013 -0.273) 0.384 7.735 ( -1.856 -2.334 0.148) 2.986 7.760 ( -0.211 -0.746 0.844) 1.146 7.767 ( -1.173 -1.529 0.757) 2.071 8.415 ( -0.105 3.397 0.649) 3.460 8.490 ( -2.205 -3.945 -0.637) 4.564 11.249 ( -0.166 0.838 -0.250) 0.890 11.263 ( -0.128 -0.497 -0.737) 0.898 12.994 ( -0.343 0.580 0.148) 0.690 13.001 ( -0.085 -0.100 -0.161) 0.207 16.429 ( 0.474 0.491 0.460) 0.823 16.446 ( 0.617 -1.255 -0.154) 1.407 17.092 ( -1.370 2.575 3.659) 4.679 17.142 ( -0.443 -2.392 2.127) 3.231 17.436 ( 1.589 2.600 2.964) 4.251 17.485 ( 2.289 -2.030 1.885) 3.593 17.596 ( 1.284 2.250 -1.954) 3.245 17.647 ( 2.459 -2.562 -3.372) 4.897 17.876 ( -2.642 3.277 -2.258) 4.777 17.931 ( -2.980 -2.069 -2.978) 4.694 ======================= Grid point 158 (89/112) ======================= q-point: (-0.44 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -4.700 8.489 -1.142) 9.770 2.015 ( 0.826 2.005 -1.882) 2.871 2.292 ( 3.623 -2.761 4.973) 6.744 2.360 ( -1.853 -6.744 -3.242) 7.709 2.509 ( -6.598 4.951 0.398) 8.258 2.651 ( -0.514 -7.366 -1.693) 7.575 2.704 ( 8.867 1.018 -2.290) 9.214 2.747 ( 3.801 -2.214 -2.848) 5.240 2.977 ( -0.029 6.718 3.391) 7.525 3.049 ( 0.150 0.048 -0.218) 0.269 3.463 ( -2.384 4.393 9.094) 10.378 3.518 ( -4.640 1.236 8.697) 9.934 3.559 ( -1.768 -3.958 5.580) 7.066 3.609 ( -0.157 -3.815 1.091) 3.972 3.705 ( 1.615 1.379 -3.358) 3.973 3.770 ( -0.203 -4.546 -3.757) 5.901 3.908 ( -2.761 0.091 -3.733) 4.644 3.990 ( -3.264 -5.757 -8.519) 10.787 4.300 ( -0.582 7.573 1.983) 7.849 4.435 ( -0.966 -4.610 3.277) 5.737 4.464 ( 7.607 8.570 -3.275) 11.918 4.629 ( 7.973 -6.671 -3.738) 11.047 5.139 ( -2.045 1.861 1.400) 3.099 5.170 ( 0.306 -0.848 1.124) 1.441 5.587 ( -2.668 6.033 0.903) 6.658 5.639 ( 1.714 5.665 1.854) 6.202 5.654 ( -0.906 -1.139 1.522) 2.106 5.735 ( 0.459 4.293 -4.562) 6.281 5.835 ( -1.586 -5.950 5.259) 8.098 5.915 ( -3.486 -6.347 -2.841) 7.778 6.200 ( 1.739 3.969 3.632) 5.654 6.259 ( -1.672 -0.122 -2.094) 2.683 6.308 ( 1.015 -0.597 -3.147) 3.360 6.338 ( -0.963 -1.878 -4.708) 5.159 6.861 ( -2.872 3.890 1.630) 5.103 6.885 ( -1.982 2.248 1.368) 3.294 7.055 ( 0.053 0.965 -0.083) 0.970 7.091 ( 0.584 -2.337 -1.628) 2.908 7.423 ( -1.246 1.347 2.407) 3.027 7.451 ( -1.330 -1.233 -0.085) 1.816 7.700 ( -1.067 -0.523 -0.001) 1.188 7.718 ( 1.263 -2.432 0.298) 2.756 7.763 ( -0.243 -0.051 0.754) 0.793 7.781 ( 0.976 -1.801 0.669) 2.156 8.439 ( 0.857 0.848 0.568) 1.332 8.466 ( 2.074 -1.829 -0.659) 2.843 11.248 ( 0.202 0.702 -0.149) 0.746 11.258 ( 0.500 -0.218 -0.637) 0.839 12.996 ( 0.380 0.699 0.085) 0.800 13.006 ( 0.841 -0.224 -0.322) 0.928 16.435 ( -0.402 0.164 0.413) 0.599 16.446 ( -0.296 -0.968 -0.336) 1.066 17.107 ( -1.857 2.262 3.562) 4.610 17.152 ( -0.954 -2.143 1.624) 2.853 17.496 ( 0.024 1.881 3.130) 3.652 17.528 ( -0.447 -1.143 0.521) 1.334 17.572 ( -0.438 2.471 -1.799) 3.087 17.626 ( 0.391 -2.804 -3.691) 4.652 17.842 ( 0.992 2.070 -0.320) 2.318 17.873 ( 0.835 -0.987 -2.620) 2.921 ======================= Grid point 159 (90/112) ======================= q-point: (-0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -6.310 13.915 -0.465) 15.286 1.980 ( -3.832 0.640 -2.087) 4.410 2.360 ( -1.730 -1.672 4.603) 5.194 2.404 ( 1.729 8.751 -3.236) 9.489 2.488 ( 3.062 -10.393 6.781) 12.782 2.604 ( 0.049 -8.965 -3.554) 9.644 2.783 ( 2.555 2.496 -0.951) 3.696 2.820 ( 6.734 0.503 -1.532) 6.924 3.010 ( 0.085 4.208 1.885) 4.612 3.069 ( 2.776 -1.185 0.042) 3.019 3.465 ( -6.120 0.782 3.623) 7.154 3.495 ( -6.657 -1.489 0.491) 6.840 3.544 ( -1.620 6.180 3.629) 7.348 3.607 ( -1.152 1.991 -6.002) 6.427 3.691 ( -0.826 -2.629 9.048) 9.458 3.763 ( 4.449 -6.933 -4.539) 9.405 3.839 ( -0.947 -4.297 -3.217) 5.451 3.856 ( -2.397 -4.773 -0.048) 5.341 4.404 ( 6.544 7.446 4.657) 10.952 4.517 ( 5.024 -1.301 3.172) 6.082 4.572 ( 8.630 6.185 -3.079) 11.055 4.728 ( 8.123 -6.790 -4.007) 11.320 5.108 ( -2.736 3.247 0.389) 4.264 5.169 ( -1.487 -2.146 0.268) 2.624 5.466 ( -8.401 4.130 -4.406) 10.346 5.539 ( -9.839 -3.789 -3.233) 11.028 5.668 ( -0.972 8.072 -2.191) 8.421 5.730 ( 0.419 1.888 2.230) 2.952 5.757 ( -2.743 -2.156 -3.794) 5.154 5.910 ( -3.302 -9.438 5.117) 11.232 6.159 ( -2.435 5.148 -3.740) 6.814 6.262 ( -0.040 -5.239 -2.371) 5.751 6.289 ( 0.679 4.637 4.280) 6.347 6.352 ( 1.313 -1.526 1.885) 2.758 6.823 ( -3.877 4.250 1.701) 5.998 6.851 ( -3.474 1.698 1.001) 3.994 7.031 ( -2.597 1.346 -1.064) 3.112 7.070 ( -1.528 -2.434 -0.501) 2.917 7.394 ( -3.024 1.127 0.365) 3.248 7.426 ( -0.762 -1.286 -0.251) 1.516 7.684 ( -1.402 0.639 0.088) 1.543 7.718 ( -1.751 -2.162 0.609) 2.848 7.806 ( 3.501 -1.151 0.805) 3.772 7.816 ( 2.735 -1.859 0.169) 3.312 8.454 ( 2.046 4.082 -0.788) 4.633 8.546 ( 5.644 -4.786 0.587) 7.423 11.251 ( 0.423 0.803 -0.136) 0.918 11.264 ( 0.745 -0.369 -0.322) 0.891 13.008 ( 1.027 0.776 -0.101) 1.291 13.019 ( 1.354 -0.321 -0.612) 1.520 16.424 ( -1.225 -0.219 0.102) 1.248 16.429 ( -1.098 -0.682 -0.373) 1.345 17.108 ( -2.593 2.196 3.051) 4.567 17.148 ( -1.380 -1.648 1.066) 2.399 17.457 ( -4.540 0.222 -1.346) 4.741 17.473 ( -2.927 -0.841 -2.808) 4.143 17.571 ( -0.043 1.732 0.088) 1.735 17.602 ( 0.411 -1.387 -1.844) 2.344 17.891 ( 3.941 2.037 0.951) 4.537 17.921 ( 4.608 -0.856 1.882) 5.050 ======================= Grid point 160 (91/112) ======================= q-point: (-0.22 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -3.610 15.402 3.202) 16.140 1.855 ( -6.160 9.482 -4.463) 12.156 2.290 ( -5.816 -4.445 0.821) 7.366 2.413 ( -1.406 -5.496 -6.628) 8.724 2.494 ( -3.276 3.221 2.146) 5.071 2.649 ( 2.119 -6.970 0.839) 7.333 2.771 ( -0.616 5.848 -5.117) 7.796 2.882 ( 0.851 3.576 1.396) 3.932 3.062 ( 1.962 -2.244 3.428) 4.543 3.141 ( 3.987 -4.412 1.707) 6.187 3.380 ( -2.394 1.651 0.222) 2.917 3.443 ( -2.974 -3.561 4.893) 6.743 3.554 ( 6.084 3.015 -2.925) 7.393 3.622 ( 4.060 -2.345 1.182) 4.835 3.717 ( -4.290 0.126 6.318) 7.638 3.790 ( -3.146 -5.324 7.002) 9.342 3.902 ( 9.281 -1.416 -1.096) 9.452 3.934 ( 10.969 -3.860 0.190) 11.630 4.550 ( 3.067 7.777 2.078) 8.614 4.638 ( 5.887 3.118 0.780) 6.707 4.674 ( 7.648 1.821 -3.909) 8.780 4.788 ( 3.246 -6.377 -3.744) 8.076 5.036 ( -5.071 3.728 -2.915) 6.936 5.104 ( -7.084 -2.293 -1.649) 7.627 5.255 ( -6.638 3.120 -4.822) 8.778 5.341 ( -4.466 -6.086 -1.983) 7.805 5.602 ( -4.622 5.708 -0.535) 7.364 5.671 ( -2.680 -0.916 -4.021) 4.918 5.740 ( -2.362 1.387 1.566) 3.155 5.872 ( -7.022 -8.992 3.578) 11.957 6.108 ( 0.041 7.481 -1.476) 7.626 6.238 ( 0.995 -4.372 -2.366) 5.070 6.349 ( -1.599 1.997 4.340) 5.038 6.389 ( 0.084 -0.779 2.981) 3.083 6.770 ( -3.708 3.519 0.666) 5.155 6.797 ( -3.070 0.916 0.438) 3.234 6.954 ( -4.782 3.330 -0.150) 5.829 7.027 ( -3.763 -3.670 0.933) 5.338 7.352 ( -1.936 2.987 -0.154) 3.563 7.419 ( 0.269 -2.528 -0.559) 2.603 7.654 ( -1.749 0.960 0.085) 1.997 7.699 ( -1.248 -2.560 1.025) 3.027 7.858 ( 2.632 -0.633 -0.771) 2.815 7.876 ( 3.303 -2.218 -0.068) 3.979 8.489 ( 2.903 7.338 -0.983) 7.952 8.643 ( 5.443 -7.568 -1.514) 9.444 11.262 ( 0.690 0.729 0.452) 1.101 11.275 ( 0.690 -0.447 0.157) 0.837 13.029 ( 1.485 0.559 -0.100) 1.589 13.037 ( 1.508 -0.196 -0.570) 1.624 16.397 ( -1.448 -0.111 -0.318) 1.486 16.405 ( -1.378 -0.907 0.026) 1.649 17.090 ( -3.208 2.218 2.628) 4.704 17.129 ( -2.179 -1.479 0.928) 2.792 17.356 ( -4.440 1.120 -1.801) 4.921 17.390 ( -2.275 -1.890 -3.314) 4.442 17.558 ( -0.619 1.728 -0.693) 1.962 17.589 ( 0.464 -1.392 -1.688) 2.236 17.989 ( 4.694 2.785 2.048) 5.830 18.034 ( 4.461 -1.675 2.930) 5.593 ======================= Grid point 161 (92/112) ======================= q-point: (-0.11 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -6.438 18.682 -2.789) 19.956 1.751 ( -0.537 13.160 3.734) 13.691 2.206 ( -5.923 -8.745 1.688) 10.696 2.253 ( -4.557 -10.730 -7.682) 13.961 2.473 ( -0.017 4.996 -2.314) 5.506 2.535 ( -1.356 -1.360 -13.912) 14.044 2.795 ( 0.440 3.542 6.230) 7.180 2.869 ( -3.227 -0.776 0.132) 3.321 3.116 ( 1.185 4.484 2.884) 5.461 3.255 ( 3.710 -6.835 5.405) 9.471 3.383 ( -0.410 3.481 2.240) 4.159 3.473 ( -3.310 -6.029 7.292) 10.024 3.652 ( 5.034 1.038 -1.477) 5.348 3.724 ( 4.796 -6.064 0.573) 7.752 3.783 ( 2.601 1.815 7.273) 7.934 3.849 ( 1.084 -3.781 7.507) 8.476 4.086 ( 11.590 3.048 -0.435) 11.992 4.168 ( 13.530 -4.550 1.128) 14.319 4.507 ( -7.749 7.991 -0.018) 11.131 4.666 ( -6.916 -6.132 -3.481) 9.877 4.721 ( 4.794 4.767 -2.924) 7.366 4.787 ( 4.270 -1.039 -2.834) 5.229 4.895 ( -2.722 1.743 -8.021) 8.648 4.928 ( -2.400 -1.578 -4.406) 5.260 5.213 ( 1.444 4.481 0.221) 4.713 5.330 ( -0.748 -7.128 2.082) 7.463 5.504 ( -5.430 6.549 0.282) 8.512 5.597 ( -1.100 -2.194 -0.986) 2.645 5.698 ( -2.841 -0.619 0.286) 2.922 5.763 ( -8.551 -7.146 1.358) 11.226 6.116 ( 1.704 7.461 -0.074) 7.653 6.234 ( 0.851 -2.700 -1.353) 3.137 6.317 ( -4.250 2.815 -0.000) 5.097 6.403 ( -2.574 -4.572 1.434) 5.439 6.742 ( 0.845 4.346 0.541) 4.461 6.791 ( 0.887 0.175 2.140) 2.323 6.875 ( -4.637 4.183 0.789) 6.295 6.962 ( -5.336 -3.878 1.346) 6.732 7.329 ( -0.708 4.547 0.427) 4.622 7.417 ( 0.262 -2.998 -0.577) 3.064 7.636 ( -0.721 0.988 0.531) 1.333 7.695 ( -0.852 -3.715 0.899) 3.916 7.883 ( 1.670 0.457 -1.188) 2.100 7.913 ( 1.566 -2.526 -0.848) 3.091 8.519 ( 2.023 7.604 -1.247) 7.966 8.677 ( 2.499 -7.800 -4.558) 9.374 11.285 ( 0.674 0.465 1.134) 1.399 11.292 ( 0.709 -0.233 0.698) 1.021 13.050 ( 1.002 0.511 -0.067) 1.127 13.059 ( 1.572 -0.389 -0.236) 1.636 16.375 ( -0.742 -0.064 -0.055) 0.747 16.385 ( -0.991 -1.055 0.102) 1.451 17.067 ( -2.969 1.852 2.871) 4.526 17.099 ( -3.081 -1.333 2.114) 3.967 17.277 ( -1.627 2.375 -2.546) 3.843 17.322 ( -0.588 -1.927 -3.933) 4.419 17.545 ( -0.232 1.969 -0.150) 1.989 17.581 ( 0.869 -1.656 -1.605) 2.465 18.078 ( 2.666 2.361 1.929) 4.050 18.120 ( 2.101 -1.844 1.755) 3.301 ======================= Grid point 189 (93/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -5.234 0.000 -13.604) 14.576 1.490 ( 5.234 0.000 13.604) 14.576 1.804 ( -0.018 0.000 -17.736) 17.736 1.804 ( 0.018 0.000 17.736) 17.736 2.467 ( 9.843 0.000 -29.772) 31.357 2.467 ( -9.843 0.000 29.772) 31.357 2.966 ( 2.026 0.000 -7.362) 7.636 2.966 ( -2.026 0.000 7.362) 7.636 3.161 ( 1.505 0.000 -6.537) 6.708 3.161 ( -1.505 0.000 6.537) 6.708 3.373 ( 4.979 0.000 -5.085) 7.117 3.373 ( -4.979 0.000 5.085) 7.117 3.904 ( -6.113 0.000 1.884) 6.397 3.904 ( 6.113 0.000 -1.884) 6.397 4.201 ( -2.799 0.000 -3.494) 4.477 4.201 ( 2.799 0.000 3.494) 4.477 4.241 ( -4.421 0.000 -0.905) 4.513 4.241 ( 4.421 0.000 0.905) 4.513 4.409 ( -5.605 0.000 -0.249) 5.610 4.409 ( 5.605 0.000 0.249) 5.610 4.661 ( -2.735 0.000 -2.525) 3.723 4.661 ( 2.735 0.000 2.525) 3.723 5.052 ( 9.332 0.000 -3.909) 10.117 5.052 ( -9.332 0.000 3.909) 10.117 5.105 ( -8.587 0.000 -3.379) 9.228 5.105 ( 8.587 0.000 3.379) 9.228 5.726 ( 2.121 0.000 -1.396) 2.540 5.726 ( -2.121 0.000 1.396) 2.540 5.755 ( -6.659 0.000 -0.393) 6.670 5.755 ( 6.659 0.000 0.393) 6.670 5.928 ( 5.780 0.000 -4.875) 7.562 5.928 ( -5.780 0.000 4.875) 7.562 6.464 ( -5.620 0.000 -6.044) 8.253 6.464 ( 5.620 0.000 6.044) 8.253 6.592 ( -3.003 0.000 -1.470) 3.344 6.592 ( 3.003 0.000 1.470) 3.344 6.960 ( -3.640 0.000 -2.120) 4.213 6.960 ( 3.640 0.000 2.120) 4.213 7.390 ( 3.151 0.000 -4.393) 5.407 7.390 ( -3.151 0.000 4.393) 5.407 7.798 ( 0.003 0.000 -3.123) 3.123 7.798 ( -0.003 0.000 3.123) 3.123 7.945 ( -0.740 0.000 -3.896) 3.966 7.945 ( 0.740 0.000 3.896) 3.966 8.498 ( -6.827 0.000 -2.454) 7.254 8.498 ( 6.827 0.000 2.454) 7.254 11.297 ( 0.983 0.000 -0.724) 1.221 11.297 ( -0.983 0.000 0.724) 1.221 13.046 ( 0.923 0.000 -2.514) 2.678 13.046 ( -0.923 0.000 2.514) 2.678 16.429 ( -1.646 0.000 -0.217) 1.660 16.429 ( 1.646 0.000 0.217) 1.660 17.043 ( 2.562 0.000 -3.470) 4.313 17.043 ( -2.562 0.000 3.470) 4.313 17.202 ( 5.153 0.000 -4.689) 6.967 17.202 ( -5.153 0.000 4.689) 6.967 17.535 ( 0.722 0.000 -3.598) 3.670 17.535 ( -0.722 0.000 3.598) 3.670 18.152 ( 1.859 0.000 -4.712) 5.065 18.152 ( -1.859 0.000 4.712) 5.065 ======================= Grid point 191 (94/112) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -1.110 0.000 -23.966) 23.992 1.458 ( 6.974 0.000 -25.485) 26.422 1.873 ( 1.994 0.000 17.833) 17.944 2.065 ( 1.953 0.000 19.252) 19.351 2.335 ( 20.149 0.000 -35.245) 40.598 2.612 ( -3.053 0.000 11.511) 11.909 2.938 ( 5.559 0.000 -8.486) 10.145 3.016 ( -2.463 0.000 5.019) 5.591 3.130 ( 0.007 0.000 1.692) 1.692 3.199 ( -11.599 0.000 16.410) 20.095 3.415 ( 3.268 0.000 4.149) 5.282 3.458 ( 9.305 0.000 -3.078) 9.801 3.822 ( -3.149 0.000 -0.197) 3.155 3.933 ( -5.792 0.000 -3.215) 6.624 4.019 ( -2.806 0.000 -1.204) 3.053 4.192 ( -8.956 0.000 9.962) 13.396 4.249 ( 0.485 0.000 0.857) 0.985 4.269 ( -4.395 0.000 -1.705) 4.714 4.384 ( 0.182 0.000 2.446) 2.453 4.469 ( 1.650 0.000 -6.648) 6.850 4.594 ( -16.372 0.000 -1.415) 16.433 4.596 ( -0.826 0.000 -3.202) 3.307 4.889 ( 4.637 0.000 3.686) 5.924 5.080 ( 2.994 0.000 -0.511) 3.038 5.107 ( 0.476 0.000 1.721) 1.786 5.320 ( 8.827 0.000 -2.212) 9.100 5.640 ( -4.591 0.000 -0.353) 4.605 5.698 ( -3.113 0.000 0.327) 3.130 5.698 ( -1.690 0.000 2.211) 2.783 5.845 ( 1.290 0.000 0.580) 1.414 5.904 ( -2.708 0.000 2.574) 3.736 5.996 ( 6.781 0.000 -3.472) 7.619 6.332 ( -1.914 0.000 -5.202) 5.543 6.521 ( -1.998 0.000 -0.055) 1.998 6.668 ( 3.583 0.000 0.990) 3.718 6.673 ( 9.214 0.000 4.374) 10.200 6.904 ( 0.614 0.000 -4.345) 4.388 7.094 ( 7.092 0.000 4.004) 8.145 7.356 ( -7.395 0.000 4.798) 8.815 7.379 ( 1.358 0.000 -3.525) 3.778 7.773 ( 1.382 0.000 -3.093) 3.387 7.831 ( 1.387 0.000 -0.730) 1.568 7.912 ( 0.334 0.000 1.157) 1.204 7.988 ( -1.639 0.000 4.040) 4.359 8.340 ( -5.211 0.000 -4.434) 6.843 8.602 ( 3.494 0.000 -0.018) 3.494 11.284 ( -1.252 0.000 0.339) 1.297 11.298 ( 0.494 0.000 -1.347) 1.435 13.022 ( -0.220 0.000 -2.253) 2.264 13.041 ( -2.212 0.000 1.275) 2.553 16.407 ( -0.702 0.000 0.096) 0.708 16.462 ( 1.962 0.000 -0.167) 1.969 17.029 ( -3.380 0.000 3.687) 5.002 17.040 ( 2.536 0.000 -3.598) 4.402 17.233 ( 1.134 0.000 5.103) 5.227 17.301 ( 8.966 0.000 -0.512) 8.981 17.512 ( 1.348 0.000 -3.058) 3.342 17.566 ( -0.759 0.000 3.539) 3.619 18.106 ( -0.645 0.000 -4.689) 4.734 18.146 ( -4.733 0.000 3.636) 5.968 ======================= Grid point 192 (95/112) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 17.171 0.000 -13.429) 21.799 1.349 ( 15.087 0.000 -23.399) 27.841 2.136 ( 3.888 0.000 18.099) 18.512 2.261 ( -2.302 0.000 12.625) 12.833 2.339 ( 24.366 0.000 -30.215) 38.815 2.634 ( -3.575 0.000 3.396) 4.931 2.947 ( 5.324 0.000 -7.665) 9.333 2.987 ( -4.080 0.000 2.360) 4.714 3.101 ( -13.442 0.000 4.888) 14.303 3.201 ( 1.285 0.000 3.604) 3.826 3.505 ( 0.095 0.000 3.763) 3.765 3.554 ( 3.252 0.000 -2.393) 4.038 3.740 ( -7.363 0.000 -0.991) 7.430 3.831 ( -0.014 0.000 3.852) 3.852 3.950 ( -8.316 0.000 -2.496) 8.683 4.132 ( -11.979 0.000 11.301) 16.469 4.172 ( -2.951 0.000 -2.329) 3.759 4.230 ( -4.963 0.000 -2.913) 5.755 4.283 ( 4.092 0.000 -4.568) 6.133 4.370 ( -4.210 0.000 2.652) 4.976 4.498 ( 0.741 0.000 -5.763) 5.810 4.568 ( -1.369 0.000 1.193) 1.816 5.038 ( 3.558 0.000 0.771) 3.640 5.106 ( -0.014 0.000 -0.611) 0.611 5.191 ( 4.279 0.000 9.856) 10.744 5.378 ( 1.789 0.000 -1.705) 2.471 5.598 ( 0.591 0.000 -0.147) 0.609 5.659 ( -4.140 0.000 3.274) 5.278 5.756 ( 4.801 0.000 0.883) 4.882 5.776 ( -4.897 0.000 -1.275) 5.061 5.922 ( 2.000 0.000 -0.895) 2.191 6.057 ( 4.271 0.000 -2.505) 4.952 6.276 ( 1.232 0.000 -3.227) 3.454 6.508 ( 0.441 0.000 -0.214) 0.491 6.731 ( 3.095 0.000 0.080) 3.096 6.851 ( 3.709 0.000 -5.035) 6.254 6.893 ( 7.786 0.000 1.252) 7.886 7.244 ( 2.808 0.000 5.013) 5.746 7.271 ( -6.489 0.000 3.724) 7.482 7.363 ( 1.607 0.000 -3.104) 3.495 7.771 ( 1.938 0.000 -2.271) 2.986 7.824 ( 1.144 0.000 -3.469) 3.652 7.962 ( -0.368 0.000 3.770) 3.788 7.977 ( -4.352 0.000 3.057) 5.318 8.280 ( 1.068 0.000 1.490) 1.834 8.621 ( 0.210 0.000 -1.805) 1.817 11.262 ( -1.628 0.000 0.092) 1.631 11.282 ( -0.104 0.000 -1.919) 1.922 12.993 ( -0.487 0.000 -1.364) 1.448 13.009 ( -1.958 0.000 0.037) 1.958 16.411 ( 0.340 0.000 1.114) 1.164 16.488 ( 1.696 0.000 -0.769) 1.862 17.028 ( -2.081 0.000 4.359) 4.831 17.055 ( 3.743 0.000 -3.127) 4.878 17.334 ( 3.483 0.000 4.903) 6.014 17.432 ( 1.796 0.000 2.733) 3.270 17.530 ( 4.467 0.000 0.033) 4.467 17.582 ( -1.657 0.000 2.354) 2.879 18.025 ( -2.167 0.000 -4.892) 5.350 18.064 ( -6.175 0.000 -1.539) 6.364 ======================= Grid point 193 (96/112) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 25.322 0.000 3.941) 25.626 1.442 ( 20.750 0.000 -13.956) 25.007 2.248 ( -10.731 0.000 4.257) 11.545 2.405 ( 6.357 0.000 10.279) 12.086 2.423 ( 18.072 0.000 -19.877) 26.864 2.599 ( -6.449 0.000 6.342) 9.045 2.807 ( -15.817 0.000 0.095) 15.817 2.951 ( -3.238 0.000 1.746) 3.679 3.004 ( 7.291 0.000 -11.111) 13.290 3.183 ( -5.166 0.000 0.168) 5.169 3.489 ( -2.717 0.000 -3.097) 4.120 3.527 ( -0.568 0.000 1.854) 1.939 3.730 ( 6.900 0.000 -4.092) 8.022 3.811 ( -7.763 0.000 5.372) 9.441 3.887 ( -0.232 0.000 4.712) 4.717 4.033 ( -10.633 0.000 5.512) 11.977 4.096 ( -5.671 0.000 -2.678) 6.271 4.181 ( 1.791 0.000 3.470) 3.905 4.321 ( -4.421 0.000 1.418) 4.643 4.335 ( 6.568 0.000 -7.117) 9.685 4.424 ( 0.363 0.000 -7.034) 7.044 4.553 ( -4.243 0.000 3.343) 5.402 5.077 ( 2.126 0.000 -0.177) 2.133 5.085 ( -1.346 0.000 0.143) 1.353 5.365 ( -0.123 0.000 -1.369) 1.375 5.367 ( -1.661 0.000 10.748) 10.876 5.622 ( -2.635 0.000 3.773) 4.602 5.637 ( 2.855 0.000 -0.176) 2.860 5.748 ( 1.442 0.000 0.790) 1.644 5.836 ( 3.838 0.000 -1.018) 3.971 5.952 ( 2.950 0.000 -0.284) 2.964 6.089 ( 2.614 0.000 -2.109) 3.359 6.294 ( 2.577 0.000 0.086) 2.579 6.501 ( 0.311 0.000 -3.524) 3.537 6.784 ( 3.178 0.000 0.085) 3.179 6.832 ( 3.010 0.000 -4.273) 5.227 7.047 ( 6.697 0.000 0.025) 6.697 7.212 ( -5.426 0.000 4.096) 6.798 7.331 ( 1.454 0.000 3.318) 3.623 7.370 ( 2.912 0.000 -2.376) 3.759 7.782 ( 1.578 0.000 -1.066) 1.905 7.802 ( 1.160 0.000 -3.142) 3.349 7.924 ( -4.625 0.000 1.951) 5.020 7.961 ( -1.996 0.000 0.466) 2.050 8.359 ( 0.434 0.000 6.878) 6.892 8.577 ( -1.376 0.000 -3.455) 3.719 11.234 ( -1.537 0.000 0.164) 1.546 11.254 ( -0.362 0.000 -2.071) 2.102 12.976 ( -0.143 0.000 -0.707) 0.721 12.984 ( -1.229 0.000 0.421) 1.299 16.440 ( 0.668 0.000 2.031) 2.138 16.501 ( 1.116 0.000 -1.326) 1.733 17.058 ( -0.980 0.000 5.208) 5.299 17.092 ( 4.616 0.000 -3.045) 5.530 17.434 ( -1.636 0.000 0.368) 1.677 17.454 ( 3.833 0.000 4.019) 5.553 17.560 ( -3.008 0.000 1.541) 3.380 17.637 ( 2.409 0.000 5.255) 5.781 17.919 ( -4.223 0.000 -6.885) 8.077 17.927 ( -2.182 0.000 -5.050) 5.501 ======================= Grid point 194 (97/112) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 21.366 0.000 -4.930) 21.927 1.911 ( 22.449 0.000 6.984) 23.510 2.025 ( -16.152 0.000 2.020) 16.278 2.385 ( -23.054 0.000 -0.884) 23.071 2.474 ( 6.788 0.000 -7.440) 10.072 2.498 ( 0.425 0.000 -1.645) 1.699 2.770 ( 5.891 0.000 6.866) 9.047 2.912 ( -4.094 0.000 0.579) 4.135 3.007 ( 4.852 0.000 -6.254) 7.915 3.063 ( -6.607 0.000 -0.781) 6.653 3.487 ( 4.106 0.000 -0.890) 4.202 3.531 ( -1.090 0.000 0.598) 1.244 3.762 ( -6.637 0.000 9.364) 11.477 3.796 ( 9.870 0.000 -12.910) 16.250 3.856 ( -1.842 0.000 -2.413) 3.036 3.916 ( -10.129 0.000 5.617) 11.582 4.122 ( 2.564 0.000 8.540) 8.916 4.245 ( -4.705 0.000 -0.789) 4.771 4.250 ( 1.292 0.000 2.813) 3.096 4.309 ( 3.153 0.000 -9.898) 10.388 4.406 ( 4.882 0.000 -3.335) 5.912 4.486 ( -7.638 0.000 3.184) 8.275 5.079 ( -0.403 0.000 1.596) 1.646 5.094 ( 1.011 0.000 -2.013) 2.253 5.364 ( 2.902 0.000 -2.993) 4.169 5.385 ( -5.687 0.000 6.603) 8.714 5.661 ( -0.558 0.000 4.101) 4.139 5.670 ( 2.087 0.000 -1.676) 2.677 5.803 ( 1.877 0.000 2.608) 3.213 5.851 ( 0.194 0.000 -2.293) 2.301 6.022 ( 3.254 0.000 2.288) 3.979 6.086 ( -0.070 0.000 -2.810) 2.811 6.354 ( 2.036 0.000 3.165) 3.763 6.435 ( -1.282 0.000 -5.405) 5.555 6.835 ( 1.992 0.000 0.420) 2.036 6.848 ( 1.623 0.000 -1.237) 2.041 7.121 ( 4.502 0.000 -2.553) 5.176 7.166 ( -5.226 0.000 3.727) 6.419 7.382 ( 0.374 0.000 2.486) 2.514 7.394 ( 2.157 0.000 -2.036) 2.966 7.796 ( 1.057 0.000 -1.343) 1.709 7.796 ( 0.208 0.000 0.376) 0.430 7.889 ( -1.087 0.000 1.463) 1.823 7.919 ( -1.889 0.000 -1.353) 2.323 8.435 ( -0.250 0.000 6.217) 6.222 8.505 ( -1.003 0.000 -4.905) 5.006 11.219 ( -0.793 0.000 0.835) 1.152 11.227 ( -0.015 0.000 -1.638) 1.638 12.971 ( 0.399 0.000 -0.598) 0.719 12.974 ( -0.850 0.000 0.716) 1.111 16.474 ( 0.224 0.000 2.204) 2.216 16.496 ( 0.453 0.000 -1.837) 1.892 17.106 ( -1.285 0.000 5.608) 5.753 17.125 ( 3.629 0.000 -4.411) 5.713 17.423 ( -0.256 0.000 1.798) 1.816 17.471 ( -1.705 0.000 -2.861) 3.330 17.608 ( 1.921 0.000 7.408) 7.654 17.704 ( -0.722 0.000 0.168) 0.741 17.795 ( -0.858 0.000 -2.864) 2.990 17.838 ( -1.313 0.000 -4.856) 5.030 ======================= Grid point 199 (98/112) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -5.524 6.484 -16.953) 18.973 1.559 ( 5.524 6.484 16.953) 18.973 1.784 ( 3.339 -0.806 -20.308) 20.597 1.784 ( -3.339 -0.806 20.308) 20.597 2.536 ( 8.711 4.524 -20.463) 22.696 2.536 ( -8.711 4.524 20.463) 22.696 2.957 ( 0.543 -1.244 -5.542) 5.706 2.957 ( -0.543 -1.244 5.542) 5.706 3.126 ( -2.329 -1.590 -9.735) 10.135 3.126 ( 2.329 -1.590 9.735) 10.135 3.407 ( -3.503 3.449 -3.515) 6.043 3.407 ( 3.503 3.449 3.515) 6.043 3.957 ( 3.010 4.159 -3.404) 6.160 3.957 ( -3.010 4.159 3.404) 6.160 4.105 ( -5.980 -10.912 -2.034) 12.608 4.105 ( 5.980 -10.912 2.034) 12.608 4.220 ( 5.051 -2.141 -6.410) 8.436 4.220 ( -5.051 -2.141 6.410) 8.436 4.354 ( 5.763 -0.614 -4.443) 7.303 4.354 ( -5.763 -0.614 4.443) 7.303 4.703 ( 2.711 2.688 -1.806) 4.223 4.703 ( -2.711 2.688 1.806) 4.223 5.007 ( 1.035 -4.269 -4.921) 6.597 5.007 ( -1.035 -4.269 4.921) 6.597 5.143 ( -7.233 3.148 -1.594) 8.048 5.143 ( 7.233 3.148 1.594) 8.048 5.661 ( -0.494 -3.661 -2.380) 4.395 5.661 ( 0.494 -3.661 2.380) 4.395 5.827 ( -1.533 1.019 -2.662) 3.236 5.827 ( 1.533 1.019 2.662) 3.236 5.942 ( 1.454 4.011 -2.348) 4.870 5.942 ( -1.454 4.011 2.348) 4.870 6.459 ( -4.525 -1.230 -5.275) 7.058 6.459 ( 4.525 -1.230 5.275) 7.058 6.585 ( -2.443 0.707 -1.625) 3.018 6.585 ( 2.443 0.707 1.625) 3.018 6.952 ( -3.479 -0.745 -1.689) 3.938 6.952 ( 3.479 -0.745 1.689) 3.938 7.357 ( 1.787 -1.959 -3.813) 4.644 7.357 ( -1.787 -1.959 3.813) 4.644 7.796 ( 0.945 -0.926 -2.705) 3.011 7.796 ( -0.945 -0.926 2.705) 3.011 7.937 ( -1.190 -0.794 -3.528) 3.807 7.937 ( 1.190 -0.794 3.528) 3.807 8.524 ( -3.821 2.006 -6.139) 7.504 8.524 ( 3.821 2.006 6.139) 7.504 11.302 ( 0.875 0.408 -0.652) 1.165 11.302 ( -0.875 0.408 0.652) 1.165 13.053 ( 0.956 0.575 -2.216) 2.481 13.053 ( -0.956 0.575 2.216) 2.481 16.419 ( -1.430 -1.002 -0.260) 1.765 16.419 ( 1.430 -1.002 0.260) 1.765 17.056 ( 2.490 1.265 -3.376) 4.381 17.056 ( -2.490 1.265 3.376) 4.381 17.208 ( 4.659 0.540 -4.900) 6.783 17.208 ( -4.659 0.540 4.900) 6.783 17.537 ( 1.003 0.278 -3.423) 3.578 17.537 ( -1.003 0.278 3.423) 3.578 18.148 ( 0.893 -0.278 -3.926) 4.036 18.148 ( -0.893 -0.278 3.926) 4.036 ======================= Grid point 201 (99/112) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 1.825 7.125 -23.799) 24.909 1.534 ( 6.126 6.889 -22.208) 24.045 1.900 ( 2.379 3.652 17.351) 17.890 2.069 ( 4.298 0.203 19.470) 19.940 2.455 ( 15.332 9.591 -26.972) 32.474 2.601 ( -3.782 -1.839 8.896) 9.840 2.917 ( 1.908 -1.931 -4.479) 5.238 3.019 ( -1.226 -0.992 1.739) 2.348 3.032 ( 1.248 -5.569 0.021) 5.707 3.244 ( -11.831 3.597 10.510) 16.229 3.331 ( 4.997 -3.748 3.958) 7.395 3.550 ( 6.751 4.706 -0.413) 8.240 3.860 ( -7.483 0.406 1.520) 7.647 3.890 ( -11.284 -4.173 -2.167) 12.224 3.998 ( 4.510 0.589 -5.055) 6.800 4.130 ( -1.390 -11.184 -2.752) 11.601 4.185 ( -8.434 -0.006 6.511) 10.655 4.270 ( 1.934 -4.160 -0.029) 4.588 4.346 ( -1.908 0.158 4.505) 4.895 4.460 ( 4.745 -1.047 -0.867) 4.936 4.596 ( -13.129 3.092 -4.541) 14.232 4.631 ( -6.311 2.426 1.622) 6.953 4.909 ( 6.903 1.272 -0.742) 7.058 5.041 ( 0.931 -3.990 0.420) 4.119 5.113 ( 0.152 -0.271 1.252) 1.290 5.298 ( 5.386 0.484 -0.286) 5.415 5.625 ( 0.296 -2.049 0.148) 2.076 5.715 ( -4.324 -0.314 -0.787) 4.406 5.750 ( 1.756 -2.655 1.123) 3.375 5.809 ( -1.408 4.952 -1.704) 5.423 5.989 ( 3.259 8.413 -0.004) 9.022 6.015 ( 5.330 -0.279 0.781) 5.395 6.347 ( -1.789 1.153 -3.884) 4.429 6.507 ( -2.180 -0.760 -0.449) 2.352 6.627 ( 4.220 -3.266 2.150) 5.753 6.671 ( 6.485 0.329 2.874) 7.101 6.902 ( 0.700 -0.211 -3.999) 4.066 7.075 ( 7.044 -1.737 2.989) 7.847 7.295 ( -4.505 -2.659 0.452) 5.250 7.389 ( 1.430 0.056 -0.370) 1.478 7.776 ( 0.280 -1.151 -1.694) 2.067 7.817 ( 1.032 -0.813 -2.061) 2.444 7.890 ( -0.842 -1.738 1.023) 2.185 7.983 ( -1.128 -1.144 3.588) 3.931 8.370 ( -4.781 2.673 -4.523) 7.103 8.644 ( 1.968 2.732 3.864) 5.125 11.287 ( -1.298 0.329 0.154) 1.348 11.301 ( 0.342 0.231 -1.289) 1.353 13.033 ( -0.318 0.864 -1.780) 2.004 13.045 ( -2.225 0.395 1.146) 2.534 16.399 ( -0.499 -0.694 0.027) 0.856 16.449 ( 1.777 -1.282 -0.087) 2.193 17.042 ( -2.924 1.291 3.186) 4.514 17.055 ( 2.043 1.347 -2.981) 3.857 17.238 ( 1.325 0.497 4.549) 4.764 17.296 ( 8.473 -0.469 -1.223) 8.574 17.516 ( 0.711 0.420 -2.204) 2.354 17.565 ( -0.255 -0.050 2.642) 2.654 18.082 ( -3.368 -1.167 -2.617) 4.422 18.163 ( -2.004 0.595 1.384) 2.507 ======================= Grid point 202 (100/112) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 16.728 12.055 -10.423) 23.103 1.433 ( 12.218 7.690 -20.106) 24.752 2.151 ( 4.734 2.637 15.154) 16.094 2.282 ( 1.750 1.838 6.095) 6.603 2.454 ( 15.225 9.535 -18.272) 25.624 2.621 ( -1.831 -1.635 2.761) 3.694 2.902 ( 0.985 -4.444 -2.067) 5.000 3.025 ( 0.767 3.420 -1.623) 3.862 3.073 ( -2.308 -7.343 4.739) 9.039 3.112 ( -9.791 -1.505 2.381) 10.188 3.441 ( 0.202 -4.330 3.853) 5.800 3.586 ( -2.248 -0.126 -0.599) 2.330 3.715 ( -3.024 -1.324 -2.600) 4.202 3.780 ( -5.169 -5.490 0.492) 7.557 3.921 ( -9.725 -1.600 -3.479) 10.452 4.061 ( -3.291 -8.431 -1.673) 9.204 4.122 ( 1.373 -0.778 2.364) 2.842 4.259 ( -1.369 -2.359 -2.327) 3.585 4.322 ( -5.722 5.813 1.492) 8.292 4.362 ( -2.697 -4.882 1.033) 5.672 4.518 ( -4.392 5.468 -2.542) 7.460 4.600 ( 1.262 4.761 2.878) 5.705 5.054 ( 2.237 -0.901 0.874) 2.566 5.089 ( 3.823 -1.794 5.171) 6.676 5.139 ( 2.895 -1.954 0.630) 3.549 5.358 ( 1.821 0.867 1.706) 2.642 5.605 ( -1.944 -4.092 0.044) 4.530 5.690 ( 1.906 0.781 -0.194) 2.069 5.755 ( 0.765 6.393 -0.561) 6.463 5.823 ( 1.248 1.078 1.323) 2.114 6.029 ( 1.772 9.159 -0.901) 9.372 6.090 ( 3.450 2.440 -1.220) 4.398 6.308 ( 1.224 2.766 -2.040) 3.649 6.483 ( 0.107 -2.182 -0.366) 2.215 6.686 ( 2.646 -3.086 -0.354) 4.081 6.825 ( 5.159 -2.526 -2.236) 6.164 6.892 ( 5.535 0.308 -0.938) 5.623 7.192 ( 0.118 -4.501 0.883) 4.588 7.259 ( 0.018 0.945 4.589) 4.686 7.405 ( 1.528 1.876 -1.093) 2.655 7.765 ( 1.210 -1.143 -2.073) 2.659 7.792 ( 0.875 -2.171 -3.441) 4.161 7.916 ( -1.137 -2.930 3.384) 4.618 7.979 ( -3.262 -1.557 2.409) 4.343 8.295 ( -0.215 2.006 -0.194) 2.027 8.675 ( -2.195 3.358 1.923) 4.449 11.262 ( -1.545 0.054 -0.296) 1.574 11.285 ( -0.188 0.234 -1.528) 1.557 13.007 ( -0.846 1.104 -0.882) 1.647 13.012 ( -1.986 0.287 0.034) 2.007 16.405 ( 0.510 -0.511 0.940) 1.185 16.474 ( 1.591 -1.400 -0.634) 2.212 17.042 ( -2.079 1.408 4.297) 4.977 17.068 ( 3.560 1.211 -2.990) 4.804 17.335 ( 3.125 0.035 4.656) 5.607 17.424 ( 3.596 -1.142 2.265) 4.400 17.522 ( 3.051 -0.393 -0.907) 3.207 17.585 ( -0.234 0.231 1.509) 1.544 17.976 ( -4.290 -1.887 -3.902) 6.098 18.104 ( -4.403 1.483 -1.897) 5.019 ======================= Grid point 203 (101/112) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 17.787 6.084 -5.569) 19.607 1.550 ( 22.480 9.704 -3.293) 24.706 2.242 ( -8.710 -0.448 0.417) 8.732 2.415 ( 8.571 2.673 6.731) 11.221 2.533 ( 11.376 8.309 -9.453) 16.965 2.607 ( -3.062 0.045 3.824) 4.899 2.808 ( -16.989 -0.108 -1.427) 17.049 2.921 ( -0.828 -1.043 1.466) 1.980 3.027 ( 1.112 -0.576 -5.683) 5.819 3.099 ( -2.254 -6.629 -0.596) 7.027 3.441 ( -1.794 -2.727 0.323) 3.280 3.531 ( -2.008 -0.440 -0.587) 2.137 3.667 ( -1.962 -6.772 0.963) 7.116 3.710 ( 1.068 -5.649 -0.638) 5.784 3.849 ( 0.196 -2.811 2.535) 3.791 3.988 ( -5.476 -5.687 1.617) 8.059 4.152 ( -4.375 2.596 -5.142) 7.233 4.191 ( 1.441 -1.421 2.459) 3.185 4.294 ( 0.008 -3.235 -0.691) 3.308 4.327 ( 0.047 -3.547 -3.636) 5.080 4.403 ( -4.650 5.481 -1.546) 7.352 4.615 ( -4.009 5.955 2.817) 7.712 5.085 ( -0.197 -1.191 2.492) 2.769 5.144 ( 2.729 4.052 -1.074) 5.001 5.247 ( 2.175 -1.789 4.392) 5.218 5.385 ( -1.691 -0.570 2.154) 2.797 5.639 ( 2.813 0.595 4.696) 5.506 5.730 ( 2.082 -1.626 0.803) 2.761 5.790 ( 1.386 9.956 2.120) 10.273 5.851 ( 1.502 0.808 -0.714) 1.849 6.040 ( 1.575 7.029 -1.406) 7.340 6.110 ( 1.837 3.383 -2.643) 4.670 6.330 ( 2.309 2.444 -0.211) 3.369 6.478 ( 0.518 -2.491 -2.851) 3.821 6.729 ( 3.097 -3.504 -0.226) 4.682 6.819 ( 2.162 -1.186 -4.251) 4.914 7.028 ( 6.280 -1.611 0.948) 6.553 7.171 ( -2.353 -2.649 1.460) 3.832 7.333 ( 1.353 0.803 3.836) 4.146 7.420 ( 1.985 2.660 -1.510) 3.646 7.765 ( 1.088 -2.317 -1.763) 3.108 7.783 ( 1.794 -0.894 -1.658) 2.601 7.901 ( -3.903 -2.228 1.894) 4.878 7.940 ( -2.740 -2.335 0.310) 3.614 8.338 ( 1.453 -0.705 4.075) 4.383 8.621 ( -4.254 2.533 -1.072) 5.066 11.234 ( -1.113 0.102 -0.230) 1.141 11.261 ( -0.603 0.504 -1.428) 1.630 12.983 ( -0.605 0.599 -0.494) 0.984 12.990 ( -1.097 0.621 0.407) 1.325 16.434 ( 0.770 -0.535 1.770) 2.003 16.487 ( 1.115 -1.286 -1.140) 2.049 17.070 ( -1.111 1.121 4.948) 5.194 17.103 ( 4.379 1.041 -2.941) 5.376 17.418 ( -0.480 -0.585 2.937) 3.033 17.479 ( 2.730 1.060 3.204) 4.340 17.559 ( -1.189 -0.328 -0.060) 1.235 17.623 ( 2.988 -0.997 2.491) 4.016 17.858 ( -2.879 -1.874 -4.883) 5.971 17.983 ( -4.413 1.956 -4.923) 6.895 ======================= Grid point 204 (102/112) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 18.376 1.363 -2.749) 18.630 1.952 ( 9.436 1.940 -0.394) 9.642 2.048 ( -2.899 4.093 5.202) 7.226 2.419 ( -20.718 3.115 -2.431) 21.091 2.560 ( 1.985 5.871 0.595) 6.226 2.565 ( 4.015 7.910 -4.846) 10.108 2.738 ( 5.563 -3.421 6.000) 8.869 2.883 ( -5.243 -2.816 0.601) 5.982 2.994 ( 1.634 -2.431 -5.582) 6.303 3.011 ( -3.340 -4.881 -0.977) 5.994 3.443 ( 2.685 -1.939 -0.896) 3.431 3.490 ( -2.641 -2.632 -0.252) 3.738 3.701 ( 1.673 -4.178 5.460) 7.075 3.792 ( 7.828 -3.225 -1.018) 8.527 3.825 ( -2.313 -1.763 -6.527) 7.146 3.912 ( -9.303 -1.627 5.317) 10.838 4.101 ( 1.241 0.191 4.692) 4.857 4.218 ( 0.993 -6.556 -5.259) 8.463 4.230 ( -1.036 -0.582 -4.660) 4.809 4.257 ( -2.619 -6.757 -0.127) 7.248 4.423 ( 4.509 5.326 1.923) 7.239 4.537 ( -6.811 5.036 0.553) 8.488 5.114 ( 0.521 1.805 2.384) 3.035 5.151 ( 0.396 3.487 -2.834) 4.511 5.319 ( 1.529 0.155 3.184) 3.536 5.367 ( -1.968 0.717 0.277) 2.113 5.744 ( 1.660 2.704 4.019) 5.120 5.768 ( 1.050 -0.357 0.189) 1.125 5.832 ( -0.063 9.924 2.971) 10.359 5.855 ( 0.862 1.676 -2.160) 2.867 6.062 ( 2.097 3.563 -0.082) 4.135 6.098 ( -0.024 1.898 -2.285) 2.970 6.372 ( 1.673 0.940 1.687) 2.555 6.429 ( -0.970 -1.095 -3.934) 4.197 6.782 ( 2.323 -3.488 0.666) 4.243 6.812 ( 0.537 -2.596 -1.777) 3.191 7.108 ( 3.643 -1.306 -1.164) 4.041 7.145 ( -3.141 -1.568 2.007) 4.043 7.395 ( 1.204 1.250 2.808) 3.301 7.428 ( 0.871 2.169 -2.054) 3.111 7.774 ( 1.585 -1.817 -0.513) 2.465 7.793 ( -0.146 -0.563 -0.226) 0.624 7.865 ( -1.218 -2.378 1.239) 2.945 7.893 ( -2.016 -2.541 -1.121) 3.432 8.421 ( 2.218 -0.822 4.628) 5.197 8.521 ( -3.815 0.780 -3.525) 5.253 11.223 ( -0.222 0.442 0.441) 0.663 11.235 ( -0.486 0.648 -1.092) 1.359 12.976 ( 0.254 0.483 -0.416) 0.686 12.980 ( -0.805 0.547 0.571) 1.128 16.466 ( 0.251 -0.735 1.938) 2.088 16.485 ( 0.477 -1.015 -1.612) 1.963 17.112 ( -1.198 0.624 5.151) 5.325 17.132 ( 3.195 0.617 -4.161) 5.282 17.435 ( -0.114 1.134 3.082) 3.286 17.494 ( -1.699 1.933 -3.572) 4.403 17.596 ( 1.819 -1.083 6.548) 6.881 17.674 ( 0.880 -2.546 -2.646) 3.776 17.792 ( -0.374 0.280 0.721) 0.859 17.859 ( -2.685 1.282 -5.220) 6.008 ======================= Grid point 209 (103/112) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -4.268 4.699 -23.648) 24.485 1.691 ( 4.268 4.699 23.648) 24.485 1.842 ( 2.302 8.366 -16.383) 18.539 1.842 ( -2.302 8.366 16.383) 18.539 2.532 ( 4.928 -5.851 -6.851) 10.269 2.532 ( -4.928 -5.852 6.851) 10.269 2.913 ( -1.320 -2.778 -1.522) 3.432 2.913 ( 1.320 -2.778 1.522) 3.432 3.179 ( -2.644 6.582 -11.058) 13.138 3.179 ( 2.644 6.582 11.058) 13.138 3.485 ( -6.617 3.074 -2.688) 7.776 3.485 ( 6.617 3.074 2.688) 7.776 3.873 ( 6.694 -9.934 -8.100) 14.460 3.873 ( -6.694 -9.934 8.100) 14.460 3.976 ( -5.399 -3.482 0.802) 6.474 3.976 ( 5.399 -3.482 -0.802) 6.474 4.200 ( -0.512 3.115 -7.639) 8.266 4.200 ( 0.512 3.115 7.639) 8.266 4.412 ( 2.965 3.807 -6.820) 8.355 4.412 ( -2.965 3.807 6.820) 8.355 4.734 ( 5.404 0.338 -4.240) 6.877 4.734 ( -5.404 0.338 4.240) 6.877 4.904 ( 1.197 -5.377 -5.689) 7.919 4.904 ( -1.197 -5.377 5.689) 7.919 5.210 ( -9.089 3.505 0.047) 9.742 5.210 ( 9.089 3.505 -0.047) 9.742 5.608 ( 0.995 -1.857 -5.166) 5.579 5.608 ( -0.995 -1.857 5.166) 5.579 5.749 ( -6.649 -6.194 -1.737) 9.251 5.749 ( 6.649 -6.194 1.737) 9.251 6.075 ( -4.079 6.718 -0.931) 7.914 6.075 ( 4.079 6.718 0.931) 7.914 6.402 ( -2.510 -4.131 -3.960) 6.249 6.402 ( 2.510 -4.131 3.960) 6.249 6.664 ( -1.489 6.833 -1.834) 7.230 6.664 ( 1.489 6.833 1.834) 7.230 6.932 ( -3.358 -1.356 -0.976) 3.751 6.932 ( 3.358 -1.356 0.976) 3.751 7.346 ( 0.081 0.891 -3.686) 3.793 7.346 ( -0.081 0.891 3.686) 3.793 7.747 ( -0.281 -3.887 -2.183) 4.467 7.747 ( 0.281 -3.887 2.183) 4.467 7.916 ( -1.116 -1.181 -2.154) 2.698 7.916 ( 1.116 -1.181 2.154) 2.698 8.551 ( -2.199 0.508 -6.704) 7.074 8.551 ( 2.199 0.508 6.704) 7.074 11.310 ( 0.611 0.418 -0.479) 0.881 11.310 ( -0.611 0.418 0.479) 0.881 13.063 ( 0.753 0.347 -1.446) 1.667 13.063 ( -0.753 0.347 1.446) 1.667 16.395 ( -0.886 -1.277 -0.250) 1.574 16.395 ( 0.886 -1.277 0.250) 1.574 17.087 ( 2.121 1.613 -2.955) 3.980 17.087 ( -2.121 1.613 2.955) 3.980 17.217 ( 3.569 0.260 -4.432) 5.696 17.217 ( -3.569 0.260 4.432) 5.696 17.546 ( 1.117 0.573 -2.588) 2.876 17.546 ( -1.117 0.573 2.588) 2.876 18.144 ( -0.225 -0.074 -2.357) 2.369 18.144 ( 0.225 -0.074 2.357) 2.369 ======================= Grid point 211 (104/112) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 5.451 12.648 -17.480) 22.254 1.705 ( 4.147 9.853 -16.050) 19.284 2.017 ( 1.506 6.563 14.737) 16.203 2.079 ( 7.522 1.853 21.560) 22.910 2.510 ( -3.243 -7.500 1.957) 8.402 2.546 ( 7.578 -3.182 -7.698) 11.261 2.881 ( -1.353 -1.554 -1.364) 2.471 2.964 ( 3.168 -2.560 -4.507) 6.075 3.027 ( -1.429 4.736 -2.371) 5.486 3.316 ( 0.268 3.877 -2.323) 4.528 3.335 ( -7.176 3.134 7.315) 10.716 3.582 ( -0.820 -1.805 2.626) 3.290 3.791 ( -7.904 -4.044 0.690) 8.905 3.819 ( -7.164 -7.644 -1.297) 10.556 3.891 ( 2.686 -6.736 -4.569) 8.571 4.037 ( 3.882 1.608 -8.085) 9.112 4.112 ( -0.970 -6.314 -1.848) 6.650 4.228 ( -8.863 1.461 4.609) 10.096 4.390 ( -2.014 2.571 1.830) 3.744 4.477 ( -1.943 2.892 4.442) 5.645 4.651 ( -5.861 2.806 4.033) 7.648 4.716 ( -1.866 4.253 -1.330) 4.830 4.893 ( 6.479 -3.944 -2.219) 7.903 4.936 ( 2.918 -4.367 -0.118) 5.253 5.132 ( -2.108 2.609 1.637) 3.732 5.369 ( 6.152 5.748 0.295) 8.425 5.541 ( -1.608 -6.434 -3.367) 7.437 5.644 ( 0.021 -4.044 0.209) 4.049 5.708 ( 3.685 -1.246 0.556) 3.929 5.902 ( 7.584 -2.916 0.802) 8.165 6.005 ( -1.599 4.170 -1.138) 4.609 6.153 ( 3.615 6.912 0.496) 7.816 6.341 ( 0.117 -2.207 -1.851) 2.883 6.489 ( 1.915 -2.896 0.820) 3.567 6.623 ( -0.527 4.973 0.828) 5.069 6.720 ( 2.736 4.991 1.332) 5.846 6.894 ( 1.371 -0.603 -2.942) 3.301 7.033 ( 6.235 -2.355 0.985) 6.737 7.286 ( -2.371 1.475 -0.586) 2.853 7.398 ( 1.741 0.895 0.861) 2.139 7.713 ( -0.304 -4.290 -1.561) 4.575 7.784 ( 1.439 -3.456 -0.254) 3.752 7.865 ( -2.440 -0.383 -0.066) 2.471 7.942 ( -1.192 -2.524 2.151) 3.524 8.432 ( -3.570 3.455 -3.408) 6.024 8.659 ( 0.393 -1.529 6.074) 6.276 11.295 ( -1.257 0.415 -0.256) 1.348 11.306 ( -0.027 0.204 -1.092) 1.111 13.046 ( -1.012 0.457 -0.583) 1.254 13.054 ( -1.423 0.391 0.222) 1.492 16.384 ( -0.006 -0.739 -0.063) 0.742 16.417 ( 1.421 -1.754 -0.050) 2.258 17.074 ( -1.907 1.763 2.140) 3.365 17.086 ( 0.953 1.619 -1.499) 2.404 17.248 ( 2.110 0.378 2.905) 3.610 17.283 ( 6.766 -0.807 -1.547) 6.987 17.530 ( -0.142 0.917 -0.855) 1.262 17.564 ( 0.324 -0.044 1.115) 1.162 18.078 ( -3.950 0.817 -1.549) 4.321 18.161 ( -1.099 -0.702 0.396) 1.363 ======================= Grid point 212 (105/112) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 14.186 17.141 -4.527) 22.705 1.622 ( 7.158 10.785 -13.582) 18.762 2.226 ( 3.981 3.689 11.706) 12.903 2.342 ( 0.323 2.928 6.499) 7.135 2.505 ( 1.835 -4.314 2.000) 5.097 2.640 ( 9.915 -0.247 -2.522) 10.233 2.818 ( -2.585 -3.347 -1.610) 4.525 2.909 ( 1.554 -2.058 -5.311) 5.904 3.084 ( -0.340 -0.858 4.545) 4.638 3.153 ( -9.780 4.834 -1.439) 11.004 3.375 ( -1.304 -1.352 1.888) 2.664 3.526 ( -5.843 -4.919 1.827) 7.853 3.631 ( -6.297 -4.786 -2.326) 8.244 3.724 ( -2.471 -3.444 -4.148) 5.931 3.880 ( 0.228 -6.005 -4.597) 7.566 3.913 ( -7.297 0.504 -4.597) 8.639 4.068 ( -3.187 -5.415 -2.252) 6.675 4.104 ( 3.321 -9.418 -5.891) 11.595 4.374 ( -5.334 4.962 6.523) 9.778 4.458 ( -5.317 6.935 3.796) 9.528 4.601 ( -6.134 2.698 1.206) 6.809 4.749 ( 1.735 7.258 1.823) 7.682 4.944 ( 0.387 -5.465 4.841) 7.311 5.105 ( 12.035 0.274 0.493) 12.048 5.141 ( 2.523 2.051 0.784) 3.345 5.402 ( -2.379 0.085 2.642) 3.557 5.553 ( 5.231 1.036 -0.895) 5.407 5.649 ( 1.959 -2.757 -1.735) 3.801 5.776 ( 2.523 -2.645 0.299) 3.668 5.946 ( 0.631 8.372 -0.565) 8.415 6.067 ( 5.540 -5.353 0.109) 7.704 6.197 ( 1.745 5.199 0.069) 5.485 6.357 ( 1.882 1.305 -0.595) 2.366 6.458 ( -1.637 0.562 -2.967) 3.435 6.679 ( 3.121 2.790 1.364) 4.403 6.788 ( 3.891 -0.022 -0.677) 3.949 6.911 ( 4.492 1.599 -1.729) 5.072 7.119 ( 2.500 -3.217 -0.714) 4.136 7.283 ( 0.711 1.665 3.227) 3.700 7.427 ( 1.490 0.550 -0.331) 1.623 7.702 ( 1.168 -3.908 -1.635) 4.394 7.773 ( 0.112 -1.209 -2.369) 2.662 7.856 ( -1.475 -2.672 2.929) 4.231 7.924 ( -3.262 -3.333 1.398) 4.869 8.362 ( -1.716 4.603 -0.625) 4.952 8.690 ( -3.738 -2.244 3.907) 5.855 11.266 ( -1.353 0.378 -0.662) 1.553 11.288 ( -0.409 0.029 -1.089) 1.164 13.019 ( -1.684 0.441 0.033) 1.741 13.027 ( -1.362 0.721 -0.358) 1.582 16.395 ( 0.875 -0.449 0.581) 1.143 16.439 ( 1.469 -1.882 -0.390) 2.419 17.078 ( -1.815 2.029 3.905) 4.760 17.097 ( 2.827 1.528 -2.145) 3.864 17.334 ( 3.070 -0.078 3.583) 4.719 17.386 ( 5.681 -2.254 -0.160) 6.114 17.527 ( 0.837 0.870 -0.227) 1.228 17.585 ( 1.247 -0.346 0.156) 1.304 17.977 ( -5.038 1.749 -2.403) 5.849 18.110 ( -3.784 -0.737 -1.813) 4.260 ======================= Grid point 213 (106/112) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 9.913 9.876 -6.886) 15.595 1.782 ( 17.301 12.314 1.269) 21.274 2.253 ( -7.331 2.089 -1.235) 7.723 2.453 ( 4.232 -1.814 8.630) 9.782 2.574 ( 3.737 1.131 0.012) 3.905 2.721 ( 1.088 6.071 -1.951) 6.469 2.758 ( -6.085 -5.669 -1.804) 8.510 2.891 ( -0.560 -8.860 -1.753) 9.049 2.966 ( -7.195 4.971 2.450) 9.082 3.043 ( -5.337 0.146 -4.464) 6.959 3.410 ( 2.259 -1.206 5.633) 6.188 3.503 ( 1.552 -3.350 -0.450) 3.719 3.557 ( -0.820 -2.980 -0.681) 3.165 3.623 ( -1.971 -0.672 -2.678) 3.392 3.795 ( -3.362 -5.759 5.015) 8.343 3.862 ( 1.643 -2.696 -5.887) 6.680 4.021 ( 1.253 -11.125 -3.461) 11.718 4.091 ( 3.751 -6.643 -7.894) 10.978 4.344 ( -5.539 5.111 3.416) 8.275 4.369 ( -6.984 5.922 -1.231) 9.239 4.512 ( -4.238 4.255 1.306) 6.146 4.719 ( -6.554 1.872 2.072) 7.124 5.040 ( 3.318 -0.303 3.811) 5.062 5.182 ( 1.916 0.446 -0.075) 1.968 5.302 ( 6.025 4.560 2.751) 8.041 5.439 ( 1.562 3.790 4.692) 6.231 5.638 ( 5.438 0.692 -0.368) 5.494 5.684 ( 1.686 -1.730 2.175) 3.250 5.804 ( 1.770 -3.800 -0.687) 4.248 5.983 ( 2.551 7.366 2.375) 8.149 6.104 ( 0.236 -1.318 -1.673) 2.143 6.235 ( 2.783 4.623 -1.862) 5.708 6.344 ( -1.440 0.759 -1.141) 1.987 6.415 ( 0.771 -2.994 -3.678) 4.805 6.737 ( 2.933 4.768 0.067) 5.599 6.817 ( 2.122 1.368 -2.520) 3.567 7.002 ( 4.889 -0.511 1.299) 5.084 7.127 ( 0.143 -2.109 -0.644) 2.209 7.349 ( 1.422 0.739 3.755) 4.083 7.447 ( 1.936 0.072 -1.179) 2.268 7.710 ( 1.400 -2.568 -1.019) 3.097 7.766 ( 1.494 -1.117 -0.969) 2.102 7.848 ( -3.215 -2.774 1.797) 4.611 7.872 ( -3.288 -4.000 0.192) 5.182 8.358 ( 0.363 2.729 1.782) 3.280 8.628 ( -5.818 -2.130 0.202) 6.199 11.241 ( -0.719 0.568 -0.351) 0.981 11.268 ( -0.668 0.152 -0.827) 1.074 12.995 ( -0.921 0.606 -0.036) 1.103 13.005 ( -1.131 0.650 0.204) 1.321 16.423 ( 0.980 -0.510 1.169) 1.608 16.456 ( 1.163 -1.638 -0.691) 2.124 17.099 ( -1.138 1.752 4.018) 4.528 17.128 ( 3.277 1.240 -2.022) 4.046 17.413 ( 0.494 -0.058 3.826) 3.859 17.472 ( 3.897 -1.673 2.119) 4.741 17.552 ( 1.454 0.184 -0.331) 1.503 17.609 ( 2.406 -0.646 -1.373) 2.845 17.864 ( -4.206 2.204 -2.269) 5.262 17.999 ( -4.653 -0.239 -4.066) 6.184 ======================= Grid point 214 (107/112) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 12.227 5.433 -0.648) 13.396 1.978 ( -3.405 1.843 -4.647) 6.049 2.184 ( 7.164 7.745 6.886) 12.598 2.474 ( -13.676 1.210 -5.832) 14.917 2.604 ( 6.236 -6.675 2.527) 9.478 2.666 ( 1.593 2.611 2.933) 4.238 2.721 ( -2.183 -0.735 1.230) 2.611 2.800 ( -6.715 -4.374 -2.797) 8.488 2.931 ( 1.827 1.238 -4.460) 4.976 2.948 ( -2.464 0.708 2.249) 3.411 3.472 ( -1.777 2.590 3.797) 4.928 3.495 ( 2.123 5.089 -6.189) 8.289 3.623 ( 6.031 -3.255 2.466) 7.284 3.666 ( 1.547 -6.587 5.306) 8.598 3.807 ( -0.277 -3.019 -3.732) 4.808 3.820 ( -2.508 -6.299 3.183) 7.489 4.028 ( 2.337 -9.475 -1.293) 9.844 4.062 ( 2.299 -5.846 -5.146) 8.120 4.230 ( -3.679 5.133 -1.976) 6.617 4.260 ( -5.251 4.101 -0.729) 6.702 4.519 ( 2.313 2.610 2.115) 4.079 4.613 ( -6.827 0.877 0.489) 6.900 5.124 ( 2.938 0.455 1.575) 3.365 5.177 ( -1.594 0.024 -0.609) 1.706 5.413 ( 3.080 7.927 3.312) 9.127 5.474 ( -0.748 8.762 -0.766) 8.827 5.710 ( 2.400 -3.491 0.121) 4.238 5.731 ( -0.759 -2.477 1.923) 3.227 5.880 ( 6.332 -0.810 3.372) 7.219 6.020 ( -3.551 4.488 -2.264) 6.154 6.102 ( 3.143 2.427 2.960) 4.953 6.201 ( -1.762 6.178 -4.662) 7.938 6.340 ( 1.300 -4.161 0.435) 4.381 6.377 ( -0.803 -3.464 -2.507) 4.351 6.783 ( 2.080 4.256 0.369) 4.751 6.812 ( -0.020 3.173 -1.355) 3.451 7.077 ( 2.426 -1.581 0.755) 2.992 7.113 ( -1.225 -1.777 -0.282) 2.177 7.416 ( 1.534 0.739 3.080) 3.520 7.456 ( 0.721 0.558 -2.067) 2.259 7.731 ( 2.101 -2.279 -0.097) 3.101 7.778 ( -1.841 -0.965 -0.108) 2.081 7.804 ( -0.208 -3.469 0.093) 3.477 7.830 ( -2.006 -3.325 -0.054) 3.884 8.414 ( 2.751 0.202 3.032) 4.100 8.516 ( -5.087 -1.387 -2.482) 5.828 11.235 ( 0.127 0.693 0.235) 0.742 11.248 ( -0.641 0.500 -0.605) 1.013 12.987 ( 0.064 0.608 -0.137) 0.627 12.992 ( -0.745 0.585 0.338) 1.005 16.449 ( 0.318 -0.813 1.282) 1.551 16.461 ( 0.523 -1.222 -1.032) 1.683 17.129 ( -0.880 1.061 3.773) 4.017 17.147 ( 1.978 0.747 -2.947) 3.627 17.464 ( 0.807 1.627 4.000) 4.393 17.528 ( -1.061 1.051 -2.758) 3.136 17.572 ( 2.088 -1.039 3.732) 4.401 17.624 ( 1.454 -2.135 -3.215) 4.124 17.811 ( -0.704 1.559 1.667) 2.388 17.876 ( -3.246 0.382 -4.490) 5.554 ======================= Grid point 219 (108/112) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -0.654 1.673 -8.865) 9.045 1.749 ( 0.654 1.673 8.865) 9.045 2.064 ( -0.589 11.533 -4.952) 12.565 2.064 ( 0.589 11.533 4.952) 12.565 2.356 ( 0.759 -9.981 -4.026) 10.789 2.356 ( -0.759 -9.981 4.026) 10.789 2.861 ( 0.993 -1.904 -1.943) 2.896 2.861 ( -0.993 -1.904 1.943) 2.896 3.298 ( -1.806 3.189 -4.172) 5.553 3.298 ( 1.806 3.189 4.172) 5.553 3.509 ( -1.217 1.353 -3.312) 3.779 3.509 ( 1.217 1.353 3.312) 3.779 3.725 ( 1.349 -5.851 -4.266) 7.365 3.725 ( -1.349 -5.851 4.266) 7.365 3.946 ( -0.264 1.282 -2.617) 2.926 3.946 ( 0.264 1.282 2.617) 2.926 4.264 ( -0.869 1.572 -4.022) 4.405 4.264 ( 0.869 1.572 4.022) 4.405 4.476 ( 1.146 2.614 -3.717) 4.686 4.476 ( -1.146 2.614 3.717) 4.686 4.715 ( 4.163 -1.946 -4.246) 6.257 4.715 ( -4.163 -1.946 4.246) 6.257 4.829 ( 0.095 -1.626 -2.674) 3.131 4.829 ( -0.095 -1.626 2.674) 3.131 5.271 ( -6.069 2.129 -0.174) 6.434 5.271 ( 6.069 2.129 0.174) 6.434 5.557 ( -2.194 -2.953 -3.459) 5.050 5.557 ( 2.194 -2.953 3.459) 5.050 5.668 ( -1.739 -1.256 -0.362) 2.176 5.668 ( 1.739 -1.256 0.362) 2.176 6.190 ( -3.412 5.228 -1.433) 6.405 6.190 ( 3.412 5.228 1.433) 6.405 6.308 ( -2.247 -5.064 -2.780) 6.198 6.308 ( 2.247 -5.064 2.780) 6.198 6.806 ( -2.262 6.137 -0.613) 6.569 6.806 ( 2.262 6.137 0.613) 6.569 6.895 ( -3.884 -2.564 -0.167) 4.657 6.895 ( 3.884 -2.564 0.167) 4.657 7.379 ( -0.301 1.708 -2.186) 2.790 7.379 ( 0.301 1.708 2.186) 2.790 7.666 ( -0.518 -3.203 -1.467) 3.561 7.666 ( 0.518 -3.203 1.467) 3.561 7.898 ( -0.398 -0.541 -0.659) 0.941 7.898 ( 0.398 -0.541 0.659) 0.941 8.551 ( -0.777 -0.244 -2.744) 2.863 8.551 ( 0.777 -0.244 2.744) 2.863 11.316 ( 0.217 0.162 -0.184) 0.327 11.316 ( -0.217 0.162 0.184) 0.327 13.066 ( 0.273 0.063 -0.482) 0.557 13.066 ( -0.273 0.063 0.482) 0.557 16.375 ( -0.281 -0.572 -0.105) 0.646 16.375 ( 0.281 -0.572 0.105) 0.646 17.112 ( 0.963 0.763 -1.398) 1.861 17.112 ( -0.963 0.763 1.398) 1.861 17.219 ( 1.472 -0.044 -1.993) 2.478 17.219 ( -1.472 -0.044 1.993) 2.478 17.556 ( 0.487 0.327 -0.968) 1.132 17.556 ( -0.487 0.327 0.968) 1.132 18.144 ( -0.231 0.037 -0.768) 0.803 18.144 ( 0.231 0.037 0.768) 0.803 ======================= Grid point 221 (109/112) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 5.743 12.032 -5.469) 14.411 1.843 ( 3.661 0.147 -3.882) 5.338 2.092 ( 3.079 5.563 6.990) 9.449 2.188 ( 5.578 3.393 5.726) 8.684 2.344 ( -0.244 -5.298 3.416) 6.309 2.422 ( 3.133 -7.411 3.388) 8.730 2.854 ( -0.450 -0.595 -0.842) 1.125 2.882 ( 1.989 -3.575 0.565) 4.130 3.187 ( -4.437 8.116 -4.750) 10.397 3.319 ( -4.297 -4.606 0.214) 6.303 3.441 ( 0.042 6.976 -4.582) 8.346 3.552 ( 0.863 -1.260 0.980) 1.814 3.622 ( -6.913 -5.891 -0.188) 9.084 3.682 ( -8.155 -5.878 3.667) 10.701 3.923 ( 2.152 3.581 -6.329) 7.583 3.976 ( 1.959 -2.972 -3.856) 5.248 4.131 ( -6.571 3.411 -6.085) 9.584 4.200 ( -10.422 -3.409 -2.060) 11.157 4.466 ( -1.577 4.867 4.285) 6.674 4.533 ( -1.056 0.347 7.169) 7.254 4.678 ( -4.735 1.817 4.069) 6.502 4.775 ( 1.071 -6.229 2.112) 6.663 4.807 ( 4.324 4.415 -1.513) 6.363 4.880 ( 7.915 -2.636 -1.421) 8.462 5.216 ( -1.648 6.013 -0.023) 6.235 5.371 ( 0.515 -9.172 -2.269) 9.463 5.503 ( 3.925 6.714 0.655) 7.804 5.594 ( 1.251 -2.157 0.461) 2.536 5.700 ( 4.064 0.787 -0.702) 4.198 5.774 ( 8.252 -6.791 -0.076) 10.687 6.126 ( -2.104 6.333 -0.907) 6.735 6.228 ( -0.704 -2.123 -0.549) 2.303 6.310 ( 4.650 2.516 0.567) 5.318 6.402 ( 4.491 -5.179 1.585) 7.036 6.749 ( -2.236 5.781 -0.230) 6.203 6.813 ( -1.633 0.834 -0.022) 1.834 6.899 ( 4.794 3.064 -1.584) 5.906 6.979 ( 5.377 -3.426 -0.464) 6.393 7.343 ( -1.006 3.891 -0.945) 4.129 7.405 ( 0.219 -1.241 0.899) 1.548 7.648 ( 0.250 -0.874 -0.766) 1.189 7.695 ( 0.932 -4.571 0.890) 4.749 7.870 ( -2.118 0.782 0.103) 2.260 7.897 ( -1.583 -1.901 0.918) 2.639 8.507 ( -2.032 4.197 -0.218) 4.668 8.595 ( -0.675 -4.359 3.719) 5.769 11.303 ( -0.965 0.330 -0.609) 1.187 11.307 ( -0.507 -0.079 -0.854) 0.997 13.053 ( -1.142 0.292 -0.184) 1.193 13.057 ( -1.018 -0.083 -0.157) 1.033 16.376 ( 0.556 0.011 -0.094) 0.564 16.387 ( 1.029 -1.117 -0.080) 1.521 17.104 ( -0.884 1.035 1.067) 1.730 17.109 ( -0.115 0.527 0.056) 0.542 17.255 ( 3.363 0.416 0.877) 3.500 17.267 ( 4.728 -0.788 -0.512) 4.820 17.549 ( -0.242 0.865 -0.185) 0.917 17.561 ( 0.163 -0.355 0.220) 0.449 18.106 ( -2.916 1.705 -0.775) 3.466 18.138 ( -1.655 -1.475 -0.215) 2.227 ======================= Grid point 222 (110/112) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 8.419 11.363 0.094) 14.142 1.824 ( 2.816 7.835 -6.127) 10.337 2.253 ( 4.812 -1.608 5.796) 7.703 2.290 ( 1.410 -5.046 3.765) 6.451 2.503 ( 4.980 1.027 11.394) 12.477 2.531 ( 6.195 -4.253 0.594) 7.538 2.803 ( -2.730 3.399 -3.782) 5.772 2.915 ( 0.327 -4.336 -2.646) 5.090 3.086 ( -3.334 3.757 1.750) 5.319 3.176 ( -7.491 -3.566 -2.459) 8.653 3.409 ( 0.018 4.983 -2.724) 5.679 3.485 ( -8.767 0.493 1.430) 8.897 3.560 ( 0.714 -3.734 -3.971) 5.498 3.589 ( -5.854 -5.601 3.353) 8.769 3.864 ( 0.398 1.287 -6.942) 7.072 3.906 ( -6.099 -2.354 -2.050) 6.851 3.967 ( -4.713 -1.776 -6.720) 8.398 3.984 ( 1.061 -2.988 -9.166) 9.699 4.494 ( -4.971 6.179 7.948) 11.228 4.561 ( -6.409 1.454 7.350) 9.860 4.633 ( -4.540 2.578 1.329) 5.388 4.740 ( -5.077 -6.340 1.632) 8.285 4.979 ( 10.467 6.846 2.087) 12.680 5.084 ( 13.423 -2.923 -0.013) 13.738 5.201 ( 1.458 4.109 1.181) 4.517 5.313 ( -1.975 -6.724 0.992) 7.078 5.623 ( 3.275 0.549 -2.138) 3.949 5.625 ( 5.531 1.824 0.835) 5.884 5.758 ( 3.244 3.453 -0.575) 4.773 5.906 ( 6.683 -9.271 -0.281) 11.432 6.099 ( -0.191 7.154 -0.338) 7.164 6.213 ( -0.527 -3.479 0.294) 3.531 6.388 ( 3.320 3.016 -0.743) 4.546 6.452 ( 1.004 -2.440 -2.537) 3.660 6.758 ( 2.876 4.342 1.469) 5.411 6.810 ( 1.803 -0.055 -0.415) 1.851 6.965 ( 4.480 4.063 -1.241) 6.175 7.050 ( 3.659 -3.965 -1.255) 5.540 7.337 ( 0.360 3.837 1.070) 3.999 7.412 ( 0.054 -2.690 0.337) 2.712 7.657 ( 1.455 0.413 -0.269) 1.537 7.713 ( 0.824 -4.118 -0.250) 4.207 7.837 ( -2.542 0.606 1.204) 2.878 7.867 ( -3.092 -2.269 0.882) 3.935 8.472 ( -2.553 6.289 0.690) 6.822 8.600 ( -3.317 -6.180 2.700) 7.516 11.275 ( -1.061 0.549 -0.787) 1.430 11.285 ( -0.726 -0.362 -0.875) 1.193 13.028 ( -1.484 0.424 -0.034) 1.544 13.033 ( -1.377 -0.038 -0.152) 1.386 16.392 ( 1.213 0.254 0.211) 1.257 16.407 ( 1.391 -1.263 -0.114) 1.882 17.113 ( -0.708 1.197 2.508) 2.868 17.119 ( 1.269 0.527 -0.083) 1.377 17.334 ( 3.952 0.201 1.491) 4.229 17.349 ( 5.144 -1.367 -0.403) 5.338 17.549 ( 0.489 1.243 0.173) 1.347 17.572 ( 1.058 -0.945 -0.054) 1.420 18.027 ( -4.436 2.925 -1.738) 5.590 18.080 ( -3.794 -2.224 -1.733) 4.727 ======================= Grid point 223 (111/112) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 4.372 9.626 -2.807) 10.938 1.943 ( 5.996 0.805 1.464) 6.225 2.334 ( -0.853 6.164 3.607) 7.193 2.405 ( 5.211 -0.016 1.872) 5.537 2.585 ( 2.558 -4.587 -2.439) 5.791 2.607 ( -3.407 -7.779 -3.648) 9.243 2.726 ( -2.951 2.221 3.332) 4.974 2.801 ( -7.817 -2.955 -0.517) 8.373 3.058 ( -5.170 2.581 1.093) 5.881 3.071 ( -0.587 1.007 -2.962) 3.183 3.428 ( 4.871 3.876 3.312) 7.051 3.451 ( -0.222 0.035 6.492) 6.496 3.520 ( -0.114 -1.485 -0.017) 1.490 3.587 ( 1.053 -6.268 2.020) 6.669 3.743 ( -6.023 3.103 -1.907) 7.039 3.827 ( -3.213 -5.804 -3.633) 7.563 3.876 ( 6.111 1.386 -7.850) 10.044 3.962 ( 6.440 -5.963 -9.678) 13.065 4.457 ( -6.304 5.947 2.097) 8.917 4.489 ( -8.529 4.885 3.780) 10.531 4.554 ( -4.485 0.652 -0.743) 4.592 4.652 ( -7.934 -6.903 2.758) 10.873 5.107 ( 2.973 4.963 0.694) 5.827 5.174 ( 0.971 -1.537 -0.396) 1.861 5.379 ( 10.158 3.194 4.390) 11.517 5.442 ( 10.190 -2.746 6.453) 12.370 5.642 ( 0.872 1.032 -0.286) 1.381 5.702 ( 2.489 -3.938 0.637) 4.702 5.787 ( 1.642 8.518 -1.887) 8.878 5.978 ( 2.852 -9.343 -1.858) 9.944 6.113 ( 1.524 6.003 1.246) 6.318 6.220 ( 0.600 -4.230 0.922) 4.371 6.394 ( -1.703 1.624 -3.192) 3.965 6.395 ( 0.077 0.659 -4.678) 4.725 6.839 ( 3.646 3.570 0.585) 5.136 6.855 ( 3.105 1.514 0.046) 3.454 7.020 ( 2.697 2.295 0.012) 3.541 7.077 ( 1.342 -2.954 -1.074) 3.418 7.373 ( 1.543 2.088 2.077) 3.325 7.424 ( 1.227 -2.328 0.219) 2.640 7.685 ( 1.650 0.560 -0.096) 1.745 7.728 ( 1.394 -2.828 -0.342) 3.171 7.806 ( -2.609 -0.975 0.993) 2.957 7.813 ( -3.781 -1.577 0.261) 4.105 8.438 ( -2.050 5.140 0.759) 5.585 8.548 ( -4.512 -5.407 0.432) 7.055 11.254 ( -0.574 0.696 -0.366) 0.974 11.265 ( -0.607 -0.391 -0.496) 0.876 13.006 ( -0.973 0.473 0.092) 1.086 13.011 ( -1.098 0.016 0.153) 1.109 16.418 ( 1.157 0.106 0.499) 1.264 16.429 ( 1.212 -1.015 -0.125) 1.585 17.132 ( -0.447 1.281 2.311) 2.679 17.144 ( 1.293 0.145 0.006) 1.301 17.416 ( 2.810 0.462 2.570) 3.835 17.436 ( 4.751 -1.565 1.003) 5.102 17.567 ( 1.046 1.133 0.118) 1.546 17.591 ( 1.512 -1.139 -0.890) 2.092 17.923 ( -4.447 3.189 -2.336) 5.950 17.976 ( -4.480 -2.026 -3.229) 5.882 ======================= Grid point 224 (112/112) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 6.385 7.602 1.115) 9.990 2.012 ( -0.298 -0.491 -0.988) 1.142 2.295 ( -2.157 3.467 2.227) 4.651 2.412 ( -7.361 -7.166 -6.612) 12.217 2.526 ( 8.412 1.761 -1.434) 8.713 2.624 ( -0.569 -3.941 0.880) 4.078 2.675 ( -4.208 -1.296 1.908) 4.799 2.712 ( -3.571 -3.455 0.413) 4.986 3.020 ( -1.714 4.263 2.316) 5.146 3.034 ( 0.174 3.764 -2.375) 4.454 3.529 ( 0.537 2.502 5.865) 6.399 3.579 ( 3.076 -2.350 3.119) 4.971 3.591 ( 4.642 1.299 1.728) 5.121 3.627 ( -1.346 5.034 -4.700) 7.018 3.661 ( -0.844 -5.197 7.724) 9.348 3.743 ( -0.232 -5.159 -5.493) 7.539 3.900 ( 2.993 -2.086 -1.923) 4.124 3.946 ( 2.756 -5.160 -7.516) 9.525 4.364 ( -0.352 7.675 -3.967) 8.647 4.392 ( -7.651 8.011 3.850) 11.728 4.500 ( 1.118 -4.413 -1.925) 4.943 4.550 ( -7.337 -6.553 3.128) 10.323 5.152 ( 1.945 1.818 0.224) 2.672 5.175 ( -0.755 -0.402 0.331) 0.917 5.575 ( 6.485 6.472 2.293) 9.445 5.632 ( 0.862 5.219 4.773) 7.125 5.644 ( 1.531 -2.506 -0.215) 2.944 5.720 ( -1.176 1.423 -2.186) 2.861 5.827 ( 5.234 -1.352 3.078) 6.221 5.952 ( -2.174 -8.200 -3.994) 9.376 6.186 ( 3.123 4.029 3.930) 6.436 6.258 ( 1.758 -3.593 2.319) 4.624 6.294 ( -2.687 3.100 -5.351) 6.743 6.333 ( -2.276 -1.250 -3.688) 4.511 6.886 ( 2.009 3.981 -0.631) 4.504 6.893 ( 0.564 3.190 0.461) 3.272 7.055 ( 1.013 -0.325 0.643) 1.243 7.074 ( -0.379 -1.940 -0.646) 2.079 7.430 ( 1.820 0.979 1.926) 2.825 7.452 ( 1.235 -0.877 -0.430) 1.575 7.699 ( 0.580 -0.313 -0.114) 0.669 7.729 ( -1.809 -3.012 -0.704) 3.583 7.771 ( 0.028 -0.205 0.091) 0.226 7.781 ( -1.181 -1.406 0.572) 1.923 8.431 ( 0.253 1.579 1.031) 1.902 8.474 ( -3.170 -2.519 -0.999) 4.171 11.247 ( -0.006 0.488 0.042) 0.490 11.253 ( -0.378 -0.009 -0.233) 0.445 12.997 ( -0.186 0.351 0.032) 0.399 13.000 ( -0.524 0.150 0.178) 0.574 16.438 ( 0.420 -0.230 0.492) 0.687 16.442 ( 0.511 -0.622 -0.292) 0.856 17.149 ( -0.324 0.774 1.681) 1.879 17.156 ( 0.628 0.088 -0.783) 1.007 17.494 ( 2.320 1.459 3.022) 4.079 17.522 ( 2.530 -1.247 1.260) 3.089 17.572 ( -0.190 0.777 -0.467) 0.926 17.592 ( 0.109 -1.250 -1.772) 2.171 17.846 ( -1.672 1.750 -0.417) 2.455 17.873 ( -2.700 -0.774 -2.828) 3.986 =================== 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 3/22680 10.0 717.894 608.898 618.583 0.000 19.302 0.000 3/22680 20.0 93.254 107.521 103.956 0.000 -2.408 0.000 3/22680 30.0 31.650 37.473 35.523 0.000 -1.367 0.000 3/22680 40.0 16.387 19.222 18.294 0.000 -0.936 0.000 3/22680 50.0 10.520 12.178 11.664 0.000 -0.700 0.000 3/22680 60.0 7.632 8.739 8.404 0.000 -0.552 0.000 3/22680 70.0 5.971 6.782 6.534 0.000 -0.453 0.000 3/22680 80.0 4.909 5.542 5.342 0.000 -0.383 0.000 3/22680 90.0 4.176 4.694 4.522 0.000 -0.331 0.000 3/22680 100.0 3.641 4.079 3.927 0.000 -0.292 0.000 3/22680 110.0 3.234 3.613 3.476 0.000 -0.260 0.000 3/22680 120.0 2.914 3.247 3.122 0.000 -0.236 0.000 3/22680 130.0 2.655 2.953 2.838 0.000 -0.215 0.000 3/22680 140.0 2.441 2.710 2.604 0.000 -0.198 0.000 3/22680 150.0 2.261 2.506 2.408 0.000 -0.184 0.000 3/22680 160.0 2.108 2.332 2.242 0.000 -0.172 0.000 3/22680 170.0 1.976 2.182 2.099 0.000 -0.162 0.000 3/22680 180.0 1.861 2.051 1.974 0.000 -0.153 0.000 3/22680 190.0 1.759 1.936 1.865 0.000 -0.145 0.000 3/22680 200.0 1.669 1.834 1.768 0.000 -0.137 0.000 3/22680 210.0 1.588 1.742 1.681 0.000 -0.131 0.000 3/22680 220.0 1.515 1.660 1.603 0.000 -0.125 0.000 3/22680 230.0 1.449 1.585 1.533 0.000 -0.120 0.000 3/22680 240.0 1.389 1.517 1.469 0.000 -0.116 0.000 3/22680 250.0 1.334 1.455 1.410 0.000 -0.111 0.000 3/22680 260.0 1.283 1.398 1.356 0.000 -0.107 0.000 3/22680 270.0 1.237 1.345 1.307 0.000 -0.104 0.000 3/22680 280.0 1.193 1.296 1.261 0.000 -0.100 0.000 3/22680 290.0 1.153 1.251 1.218 0.000 -0.097 0.000 3/22680 300.0 1.116 1.209 1.178 0.000 -0.094 0.000 3/22680 310.0 1.081 1.170 1.141 0.000 -0.091 0.000 3/22680 320.0 1.048 1.133 1.106 0.000 -0.089 0.000 3/22680 330.0 1.017 1.099 1.074 0.000 -0.086 0.000 3/22680 340.0 0.988 1.067 1.043 0.000 -0.084 0.000 3/22680 350.0 0.960 1.036 1.014 0.000 -0.082 0.000 3/22680 360.0 0.935 1.007 0.987 0.000 -0.080 0.000 3/22680 370.0 0.910 0.980 0.961 0.000 -0.078 0.000 3/22680 380.0 0.887 0.954 0.936 0.000 -0.076 0.000 3/22680 390.0 0.865 0.930 0.913 0.000 -0.074 0.000 3/22680 400.0 0.844 0.907 0.891 0.000 -0.072 0.000 3/22680 410.0 0.824 0.885 0.870 0.000 -0.071 0.000 3/22680 420.0 0.805 0.864 0.850 0.000 -0.069 0.000 3/22680 430.0 0.787 0.844 0.831 0.000 -0.068 0.000 3/22680 440.0 0.770 0.825 0.812 0.000 -0.066 0.000 3/22680 450.0 0.753 0.807 0.795 0.000 -0.065 0.000 3/22680 460.0 0.737 0.789 0.778 0.000 -0.064 0.000 3/22680 470.0 0.722 0.773 0.762 0.000 -0.062 0.000 3/22680 480.0 0.707 0.757 0.747 0.000 -0.061 0.000 3/22680 490.0 0.693 0.741 0.732 0.000 -0.060 0.000 3/22680 500.0 0.680 0.727 0.718 0.000 -0.059 0.000 3/22680 510.0 0.667 0.712 0.704 0.000 -0.058 0.000 3/22680 520.0 0.654 0.699 0.691 0.000 -0.057 0.000 3/22680 530.0 0.642 0.686 0.678 0.000 -0.056 0.000 3/22680 540.0 0.631 0.673 0.666 0.000 -0.055 0.000 3/22680 550.0 0.620 0.661 0.654 0.000 -0.054 0.000 3/22680 560.0 0.609 0.649 0.643 0.000 -0.053 0.000 3/22680 570.0 0.598 0.638 0.632 0.000 -0.052 0.000 3/22680 580.0 0.588 0.627 0.621 0.000 -0.051 0.000 3/22680 590.0 0.579 0.616 0.611 0.000 -0.050 0.000 3/22680 600.0 0.569 0.606 0.601 0.000 -0.050 0.000 3/22680 610.0 0.560 0.596 0.591 0.000 -0.049 0.000 3/22680 620.0 0.551 0.587 0.582 0.000 -0.048 0.000 3/22680 630.0 0.543 0.578 0.573 0.000 -0.047 0.000 3/22680 640.0 0.534 0.569 0.564 0.000 -0.047 0.000 3/22680 650.0 0.526 0.560 0.556 0.000 -0.046 0.000 3/22680 660.0 0.519 0.552 0.548 0.000 -0.045 0.000 3/22680 670.0 0.511 0.543 0.540 0.000 -0.045 0.000 3/22680 680.0 0.504 0.535 0.532 0.000 -0.044 0.000 3/22680 690.0 0.497 0.528 0.524 0.000 -0.043 0.000 3/22680 700.0 0.490 0.520 0.517 0.000 -0.043 0.000 3/22680 710.0 0.483 0.513 0.510 0.000 -0.042 0.000 3/22680 720.0 0.476 0.506 0.503 0.000 -0.042 0.000 3/22680 730.0 0.470 0.499 0.496 0.000 -0.041 0.000 3/22680 740.0 0.464 0.492 0.490 0.000 -0.041 0.000 3/22680 750.0 0.458 0.486 0.483 0.000 -0.040 0.000 3/22680 760.0 0.452 0.479 0.477 0.000 -0.040 0.000 3/22680 770.0 0.446 0.473 0.471 0.000 -0.039 0.000 3/22680 780.0 0.440 0.467 0.465 0.000 -0.039 0.000 3/22680 790.0 0.435 0.461 0.459 0.000 -0.038 0.000 3/22680 800.0 0.430 0.456 0.454 0.000 -0.038 0.000 3/22680 810.0 0.424 0.450 0.448 0.000 -0.037 0.000 3/22680 820.0 0.419 0.445 0.443 0.000 -0.037 0.000 3/22680 830.0 0.414 0.439 0.438 0.000 -0.036 0.000 3/22680 840.0 0.409 0.434 0.432 0.000 -0.036 0.000 3/22680 850.0 0.405 0.429 0.427 0.000 -0.036 0.000 3/22680 860.0 0.400 0.424 0.423 0.000 -0.035 0.000 3/22680 870.0 0.396 0.419 0.418 0.000 -0.035 0.000 3/22680 880.0 0.391 0.414 0.413 0.000 -0.034 0.000 3/22680 890.0 0.387 0.410 0.409 0.000 -0.034 0.000 3/22680 900.0 0.383 0.405 0.404 0.000 -0.034 0.000 3/22680 910.0 0.378 0.401 0.400 0.000 -0.033 0.000 3/22680 920.0 0.374 0.397 0.395 0.000 -0.033 0.000 3/22680 930.0 0.370 0.392 0.391 0.000 -0.033 0.000 3/22680 940.0 0.367 0.388 0.387 0.000 -0.032 0.000 3/22680 950.0 0.363 0.384 0.383 0.000 -0.032 0.000 3/22680 960.0 0.359 0.380 0.379 0.000 -0.032 0.000 3/22680 970.0 0.355 0.376 0.375 0.000 -0.031 0.000 3/22680 980.0 0.352 0.372 0.372 0.000 -0.031 0.000 3/22680 990.0 0.348 0.369 0.368 0.000 -0.031 0.000 3/22680 1000.0 0.345 0.365 0.364 0.000 -0.030 0.000 3/22680 Thermal conductivity related properties were written into "kappa-m976.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:36:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|