----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:19:04]------------------------- 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: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.959385850223160 2.285952486451932 4.812682206666661 b -3.959385850223152 2.285952486451932 4.812682206666661 c 0.000000000000004 -4.571904972903871 4.812682206666661 Atomic positions (fractional): *1 O 0.56959199708068 0.16884763224866 0.26265027737727 15.999 2 O 0.16884763224866 0.26265027737727 0.56959199708068 15.999 3 O 0.26265027737727 0.56959199708068 0.16884763224866 15.999 4 O 0.43040800291932 0.83115236775134 0.73734972262273 15.999 5 O 0.83115236775134 0.73734972262273 0.43040800291932 15.999 6 O 0.73734972262273 0.43040800291932 0.83115236775134 15.999 *7 O 0.03490179211831 0.64802219216809 0.79719655631657 15.999 8 O 0.64802219216808 0.79719655631657 0.03490179211831 15.999 9 O 0.20280344368343 0.96509820788169 0.35197780783191 15.999 10 O 0.35197780783192 0.20280344368343 0.96509820788169 15.999 11 O 0.96509820788169 0.35197780783192 0.20280344368343 15.999 12 O 0.79719655631657 0.03490179211831 0.64802219216808 15.999 *13 Ti 0.27257521273353 0.27257521273353 0.27257521273353 47.867 14 Ti 0.72742478726647 0.72742478726648 0.72742478726647 47.867 *15 Nb 0.11801547212584 0.94594909607132 0.70272174892463 92.906 16 Nb 0.94594909607132 0.70272174892463 0.11801547212584 92.906 17 Nb 0.70272174892463 0.11801547212584 0.94594909607132 92.906 18 Nb 0.88198452787416 0.05405090392868 0.29727825107537 92.906 19 Nb 0.05405090392868 0.29727825107537 0.88198452787416 92.906 20 Nb 0.29727825107537 0.88198452787416 0.05405090392868 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.918771700446312 0.000000000000000 0.000000000000000 b -3.959385850223156 6.857857459355803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.438046620000000 Atomic positions (fractional): *1 O 0.56922869484515 0.73771302485827 0.00036330223554 15.999 > 1 2 O 0.16848433001312 0.43077130515485 0.00036330223554 15.999 > 2 3 O 0.26228697514173 0.83151566998688 0.00036330223554 15.999 > 3 4 O 0.09743797182152 0.59562030847506 0.33297003109779 15.999 > 4 5 O 0.49818233665354 0.90256202817848 0.33297003109779 15.999 > 5 6 O 0.40437969152494 0.50181766334646 0.33297003109779 15.999 > 6 *7 O 0.87486161191732 0.36284362388442 0.16004018020099 15.999 > 7 8 O 0.48798201196710 0.12513838808268 0.16004018020099 15.999 > 8 9 O 0.02951029055108 0.82131534530043 0.17329315313235 15.999 > 9 10 O 0.17868465469957 0.20819494525065 0.17329315313235 15.999 > 10 11 O 0.79180505474935 0.97048970944892 0.17329315313235 15.999 > 11 12 O 0.63715637611558 0.51201798803290 0.16004018020099 15.999 > 12 13 O 0.23589536151181 0.07104635819160 0.33369663556887 15.999 > 1 14 O 0.83515099667979 0.76410463848819 0.33369663556887 15.999 > 2 15 O 0.92895364180840 0.16484900332021 0.33369663556887 15.999 > 3 16 O 0.76410463848819 0.92895364180840 0.66630336443113 15.999 > 4 17 O 0.16484900332021 0.23589536151181 0.66630336443113 15.999 > 5 18 O 0.07104635819160 0.83515099667979 0.66630336443113 15.999 > 6 19 O 0.54152827858399 0.69617695721775 0.49337351353432 15.999 > 7 20 O 0.15464867863376 0.45847172141601 0.49337351353432 15.999 > 8 21 O 0.69617695721775 0.15464867863376 0.50662648646568 15.999 > 9 22 O 0.84535132136624 0.54152827858399 0.50662648646568 15.999 > 10 23 O 0.45847172141601 0.30382304278225 0.50662648646568 15.999 > 11 24 O 0.30382304278225 0.84535132136624 0.49337351353432 15.999 > 12 25 O 0.90256202817848 0.40437969152494 0.66702996890221 15.999 > 1 26 O 0.50181766334646 0.09743797182152 0.66702996890221 15.999 > 2 27 O 0.59562030847506 0.49818233665354 0.66702996890221 15.999 > 3 28 O 0.43077130515485 0.26228697514173 0.99963669776446 15.999 > 4 29 O 0.83151566998688 0.56922869484515 0.99963669776446 15.999 > 5 30 O 0.73771302485827 0.16848433001312 0.99963669776446 15.999 > 6 31 O 0.20819494525065 0.02951029055108 0.82670684686766 15.999 > 7 32 O 0.82131534530043 0.79180505474935 0.82670684686766 15.999 > 8 33 O 0.36284362388442 0.48798201196710 0.83995981979901 15.999 > 9 34 O 0.51201798803290 0.87486161191732 0.83995981979901 15.999 > 10 35 O 0.12513838808268 0.63715637611558 0.83995981979901 15.999 > 11 36 O 0.97048970944892 0.17868465469957 0.82670684686766 15.999 > 12 *37 Ti 0.33333333333333 0.66666666666667 0.93924187940019 47.867 > 13 38 Ti 0.33333333333333 0.66666666666667 0.39409145393314 47.867 > 14 39 Ti 0.00000000000000 0.00000000000000 0.27257521273353 47.867 > 13 40 Ti 0.00000000000000 0.00000000000000 0.72742478726647 47.867 > 14 41 Ti 0.66666666666667 0.33333333333333 0.60590854606686 47.867 > 13 42 Ti 0.66666666666667 0.33333333333333 0.06075812059981 47.867 > 14 *43 Nb 0.86245336641858 0.55284035678263 0.25556210570726 92.906 > 15 44 Nb 0.69038699036406 0.13754663358142 0.25556210570726 92.906 > 16 45 Nb 0.44715964321737 0.30961300963594 0.25556210570726 92.906 > 17 46 Nb 0.80421330024809 0.78049297655070 0.07777122762607 92.906 > 18 47 Nb 0.97627967630261 0.19578669975191 0.07777122762607 92.906 > 19 48 Nb 0.21950702344930 0.02372032369739 0.07777122762607 92.906 > 20 49 Nb 0.52912003308524 0.88617369011597 0.58889543904060 92.906 > 15 50 Nb 0.35705365703072 0.47087996691476 0.58889543904060 92.906 > 16 51 Nb 0.11382630988403 0.64294634296928 0.58889543904060 92.906 > 17 52 Nb 0.47087996691476 0.11382630988403 0.41110456095941 92.906 > 18 53 Nb 0.64294634296928 0.52912003308524 0.41110456095941 92.906 > 19 54 Nb 0.88617369011597 0.35705365703072 0.41110456095941 92.906 > 20 55 Nb 0.19578669975191 0.21950702344930 0.92222877237393 92.906 > 15 56 Nb 0.02372032369739 0.80421330024809 0.92222877237393 92.906 > 16 57 Nb 0.78049297655070 0.97627967630261 0.92222877237393 92.906 > 17 58 Nb 0.13754663358142 0.44715964321737 0.74443789429274 92.906 > 18 59 Nb 0.30961300963594 0.86245336641858 0.74443789429274 92.906 > 19 60 Nb 0.55284035678263 0.69038699036406 0.74443789429274 92.906 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.918771700446312 0.000000000000000 0.000000000000000 b -3.959385850223156 6.857857459355803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.438046620000000 Atomic positions (fractional): *1 O 0.56922869484515 0.73771302485827 0.00036330223554 15.999 > 1 2 O 0.16848433001312 0.43077130515485 0.00036330223554 15.999 > 2 3 O 0.26228697514173 0.83151566998688 0.00036330223554 15.999 > 3 4 O 0.09743797182152 0.59562030847506 0.33297003109779 15.999 > 4 5 O 0.49818233665354 0.90256202817848 0.33297003109779 15.999 > 5 6 O 0.40437969152494 0.50181766334646 0.33297003109779 15.999 > 6 *7 O 0.87486161191732 0.36284362388442 0.16004018020099 15.999 > 7 8 O 0.48798201196710 0.12513838808268 0.16004018020099 15.999 > 8 9 O 0.02951029055108 0.82131534530043 0.17329315313235 15.999 > 9 10 O 0.17868465469957 0.20819494525065 0.17329315313235 15.999 > 10 11 O 0.79180505474935 0.97048970944892 0.17329315313235 15.999 > 11 12 O 0.63715637611558 0.51201798803290 0.16004018020099 15.999 > 12 13 O 0.23589536151181 0.07104635819160 0.33369663556887 15.999 > 1 14 O 0.83515099667979 0.76410463848819 0.33369663556887 15.999 > 2 15 O 0.92895364180840 0.16484900332021 0.33369663556887 15.999 > 3 16 O 0.76410463848819 0.92895364180840 0.66630336443113 15.999 > 4 17 O 0.16484900332021 0.23589536151181 0.66630336443113 15.999 > 5 18 O 0.07104635819160 0.83515099667979 0.66630336443113 15.999 > 6 19 O 0.54152827858399 0.69617695721775 0.49337351353432 15.999 > 7 20 O 0.15464867863376 0.45847172141601 0.49337351353432 15.999 > 8 21 O 0.69617695721775 0.15464867863376 0.50662648646568 15.999 > 9 22 O 0.84535132136624 0.54152827858399 0.50662648646568 15.999 > 10 23 O 0.45847172141601 0.30382304278225 0.50662648646568 15.999 > 11 24 O 0.30382304278225 0.84535132136624 0.49337351353432 15.999 > 12 25 O 0.90256202817848 0.40437969152494 0.66702996890221 15.999 > 1 26 O 0.50181766334646 0.09743797182152 0.66702996890221 15.999 > 2 27 O 0.59562030847506 0.49818233665354 0.66702996890221 15.999 > 3 28 O 0.43077130515485 0.26228697514173 0.99963669776446 15.999 > 4 29 O 0.83151566998688 0.56922869484515 0.99963669776446 15.999 > 5 30 O 0.73771302485827 0.16848433001312 0.99963669776446 15.999 > 6 31 O 0.20819494525065 0.02951029055108 0.82670684686766 15.999 > 7 32 O 0.82131534530043 0.79180505474935 0.82670684686766 15.999 > 8 33 O 0.36284362388442 0.48798201196710 0.83995981979901 15.999 > 9 34 O 0.51201798803290 0.87486161191732 0.83995981979901 15.999 > 10 35 O 0.12513838808268 0.63715637611558 0.83995981979901 15.999 > 11 36 O 0.97048970944892 0.17868465469957 0.82670684686766 15.999 > 12 *37 Ti 0.33333333333333 0.66666666666667 0.93924187940019 47.867 > 13 38 Ti 0.33333333333333 0.66666666666667 0.39409145393314 47.867 > 14 39 Ti 0.00000000000000 0.00000000000000 0.27257521273353 47.867 > 13 40 Ti 0.00000000000000 0.00000000000000 0.72742478726647 47.867 > 14 41 Ti 0.66666666666667 0.33333333333333 0.60590854606686 47.867 > 13 42 Ti 0.66666666666667 0.33333333333333 0.06075812059981 47.867 > 14 *43 Nb 0.86245336641858 0.55284035678263 0.25556210570726 92.906 > 15 44 Nb 0.69038699036406 0.13754663358142 0.25556210570726 92.906 > 16 45 Nb 0.44715964321737 0.30961300963594 0.25556210570726 92.906 > 17 46 Nb 0.80421330024809 0.78049297655070 0.07777122762607 92.906 > 18 47 Nb 0.97627967630261 0.19578669975191 0.07777122762607 92.906 > 19 48 Nb 0.21950702344930 0.02372032369739 0.07777122762607 92.906 > 20 49 Nb 0.52912003308524 0.88617369011597 0.58889543904060 92.906 > 15 50 Nb 0.35705365703072 0.47087996691476 0.58889543904060 92.906 > 16 51 Nb 0.11382630988403 0.64294634296928 0.58889543904060 92.906 > 17 52 Nb 0.47087996691476 0.11382630988403 0.41110456095941 92.906 > 18 53 Nb 0.64294634296928 0.52912003308524 0.41110456095941 92.906 > 19 54 Nb 0.88617369011597 0.35705365703072 0.41110456095941 92.906 > 20 55 Nb 0.19578669975191 0.21950702344930 0.92222877237393 92.906 > 15 56 Nb 0.02372032369739 0.80421330024809 0.92222877237393 92.906 > 16 57 Nb 0.78049297655070 0.97627967630261 0.92222877237393 92.906 > 17 58 Nb 0.13754663358142 0.44715964321737 0.74443789429274 92.906 > 18 59 Nb 0.30961300963594 0.86245336641858 0.74443789429274 92.906 > 19 60 Nb 0.55284035678263 0.69038699036406 0.74443789429274 92.906 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6891346 -0.0000100 0.0000000 0.0000100 12.6891346 0.0000000 0.0000000 0.0000000 10.5338453 -------------------------- Born effective charges -------------------------- 1 O -4.2183250 -2.3946438 -0.7822423 -1.6228112 -2.5577319 0.0487546 -1.3938136 -0.2857446 -1.2928255 2 O -1.2332711 -0.1006104 0.4333439 0.6712221 -5.5427858 0.6530644 0.4494447 1.3499503 -1.2928255 3 O -4.7124892 1.3375054 0.3488984 2.1093379 -2.0635677 -0.7018190 0.9443688 -1.0642057 -1.2928255 4 O -4.2183250 -2.3946438 -0.7822423 -1.6228112 -2.5577319 0.0487546 -1.3938136 -0.2857446 -1.2928255 5 O -1.2332711 -0.1006104 0.4333439 0.6712221 -5.5427858 0.6530644 0.4494447 1.3499503 -1.2928255 6 O -4.7124892 1.3375054 0.3488984 2.1093379 -2.0635677 -0.7018190 0.9443688 -1.0642057 -1.2928255 7 O -2.6773940 0.8358112 0.8748904 0.8310247 -1.7336800 -0.6836401 0.5412013 -0.8831271 -3.4050159 8 O -2.6913696 -0.8229559 -1.0294949 -0.8277424 -1.7197044 -0.4158573 -1.0354112 -0.0271305 -3.4050159 9 O -1.2478474 -0.0056756 0.1546045 -0.0104621 -3.1632266 1.0994974 0.4942099 0.9102576 -3.4050159 10 O -2.6913696 -0.8229559 -1.0294949 -0.8277424 -1.7197044 -0.4158573 -1.0354112 -0.0271305 -3.4050159 11 O -2.6773940 0.8358112 0.8748904 0.8310247 -1.7336800 -0.6836401 0.5412013 -0.8831271 -3.4050159 12 O -1.2478474 -0.0056756 0.1546045 -0.0104621 -3.1632266 1.0994974 0.4942099 0.9102576 -3.4050159 13 Ti 8.3836913 0.2170091 -0.0000000 -0.2170091 8.3836913 0.0000000 0.0000000 0.0000000 4.5077943 14 Ti 8.3836913 0.2170091 -0.0000000 -0.2170091 8.3836913 0.0000000 0.0000000 0.0000000 4.5077943 15 Nb 1.9782507 -0.3748666 0.7504620 -0.9972400 3.6197526 0.4645034 0.4301846 -0.4111936 3.1952434 16 Nb 3.8035167 -0.0565778 0.0270408 -0.6789512 1.7944866 -0.8821708 -0.5711964 -0.1669540 3.1952434 17 Nb 2.6152376 1.3650045 -0.7775027 0.7426312 2.9827658 0.4176674 0.1410118 0.5781476 3.1952434 18 Nb 1.9782507 -0.3748666 0.7504620 -0.9972400 3.6197526 0.4645034 0.4301846 -0.4111936 3.1952434 19 Nb 3.8035167 -0.0565778 0.0270408 -0.6789512 1.7944866 -0.8821708 -0.5711964 -0.1669540 3.1952434 20 Nb 2.6152376 1.3650045 -0.7775027 0.7426312 2.9827658 0.4176674 0.1410118 0.5781476 3.1952434 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 920 Number of blocks in projector: 420 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (920, 891), data: False |-- (110, 106), data: True |-- (396, 384), data: True |-- (414, 401), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.129 Solver_block: 200 / 400 - Time: 0.130 Solver_block: 300 / 400 - Time: 0.131 Solver_block: 400 / 400 - Time: 0.134 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.577 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 920 Number of blocks in projector: 420 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (920, 891), data: False |-- (110, 106), data: True |-- (396, 384), data: True |-- (414, 401), 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 2026-01-08 08:19:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:19:12]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.959385850223160 2.285952486451932 4.812682206666661 b -3.959385850223152 2.285952486451932 4.812682206666661 c 0.000000000000004 -4.571904972903871 4.812682206666661 Atomic positions (fractional): 1 O 0.56959199708068 0.16884763224866 0.26265027737727 15.999 2 O 0.16884763224866 0.26265027737727 0.56959199708068 15.999 3 O 0.26265027737727 0.56959199708068 0.16884763224866 15.999 4 O 0.43040800291932 0.83115236775134 0.73734972262273 15.999 5 O 0.83115236775134 0.73734972262273 0.43040800291932 15.999 6 O 0.73734972262273 0.43040800291932 0.83115236775134 15.999 7 O 0.03490179211831 0.64802219216809 0.79719655631657 15.999 8 O 0.64802219216808 0.79719655631657 0.03490179211831 15.999 9 O 0.20280344368343 0.96509820788169 0.35197780783191 15.999 10 O 0.35197780783192 0.20280344368343 0.96509820788169 15.999 11 O 0.96509820788169 0.35197780783192 0.20280344368343 15.999 12 O 0.79719655631657 0.03490179211831 0.64802219216808 15.999 13 Ti 0.27257521273353 0.27257521273353 0.27257521273353 47.867 14 Ti 0.72742478726647 0.72742478726648 0.72742478726647 47.867 15 Nb 0.11801547212584 0.94594909607132 0.70272174892463 92.906 16 Nb 0.94594909607132 0.70272174892463 0.11801547212584 92.906 17 Nb 0.70272174892463 0.11801547212584 0.94594909607132 92.906 18 Nb 0.88198452787416 0.05405090392868 0.29727825107537 92.906 19 Nb 0.05405090392868 0.29727825107537 0.88198452787416 92.906 20 Nb 0.29727825107537 0.88198452787416 0.05405090392868 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.918771700446312 0.000000000000000 0.000000000000000 b -3.959385850223156 6.857857459355803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.438046620000000 Atomic positions (fractional): 1 O 0.56922869484515 0.73771302485827 0.00036330223554 15.999 > 1 2 O 0.16848433001312 0.43077130515485 0.00036330223554 15.999 > 2 3 O 0.26228697514173 0.83151566998688 0.00036330223554 15.999 > 3 4 O 0.09743797182152 0.59562030847506 0.33297003109779 15.999 > 4 5 O 0.49818233665354 0.90256202817848 0.33297003109779 15.999 > 5 6 O 0.40437969152494 0.50181766334646 0.33297003109779 15.999 > 6 7 O 0.87486161191732 0.36284362388442 0.16004018020099 15.999 > 7 8 O 0.48798201196710 0.12513838808268 0.16004018020099 15.999 > 8 9 O 0.02951029055108 0.82131534530043 0.17329315313235 15.999 > 9 10 O 0.17868465469957 0.20819494525065 0.17329315313235 15.999 > 10 11 O 0.79180505474935 0.97048970944892 0.17329315313235 15.999 > 11 12 O 0.63715637611558 0.51201798803290 0.16004018020099 15.999 > 12 13 O 0.23589536151181 0.07104635819160 0.33369663556887 15.999 > 1 14 O 0.83515099667979 0.76410463848819 0.33369663556887 15.999 > 2 15 O 0.92895364180840 0.16484900332021 0.33369663556887 15.999 > 3 16 O 0.76410463848819 0.92895364180840 0.66630336443113 15.999 > 4 17 O 0.16484900332021 0.23589536151181 0.66630336443113 15.999 > 5 18 O 0.07104635819160 0.83515099667979 0.66630336443113 15.999 > 6 19 O 0.54152827858399 0.69617695721775 0.49337351353432 15.999 > 7 20 O 0.15464867863376 0.45847172141601 0.49337351353432 15.999 > 8 21 O 0.69617695721775 0.15464867863376 0.50662648646568 15.999 > 9 22 O 0.84535132136624 0.54152827858399 0.50662648646568 15.999 > 10 23 O 0.45847172141601 0.30382304278225 0.50662648646568 15.999 > 11 24 O 0.30382304278225 0.84535132136624 0.49337351353432 15.999 > 12 25 O 0.90256202817848 0.40437969152494 0.66702996890221 15.999 > 1 26 O 0.50181766334646 0.09743797182152 0.66702996890221 15.999 > 2 27 O 0.59562030847506 0.49818233665354 0.66702996890221 15.999 > 3 28 O 0.43077130515485 0.26228697514173 0.99963669776446 15.999 > 4 29 O 0.83151566998688 0.56922869484515 0.99963669776446 15.999 > 5 30 O 0.73771302485827 0.16848433001312 0.99963669776446 15.999 > 6 31 O 0.20819494525065 0.02951029055108 0.82670684686766 15.999 > 7 32 O 0.82131534530043 0.79180505474935 0.82670684686766 15.999 > 8 33 O 0.36284362388442 0.48798201196710 0.83995981979901 15.999 > 9 34 O 0.51201798803290 0.87486161191732 0.83995981979901 15.999 > 10 35 O 0.12513838808268 0.63715637611558 0.83995981979901 15.999 > 11 36 O 0.97048970944892 0.17868465469957 0.82670684686766 15.999 > 12 37 Ti 0.33333333333333 0.66666666666667 0.93924187940019 47.867 > 37 38 Ti 0.33333333333333 0.66666666666667 0.39409145393314 47.867 > 38 39 Ti 0.00000000000000 0.00000000000000 0.27257521273353 47.867 > 37 40 Ti 0.00000000000000 0.00000000000000 0.72742478726647 47.867 > 38 41 Ti 0.66666666666667 0.33333333333333 0.60590854606686 47.867 > 37 42 Ti 0.66666666666667 0.33333333333333 0.06075812059981 47.867 > 38 43 Nb 0.86245336641858 0.55284035678263 0.25556210570726 92.906 > 43 44 Nb 0.69038699036406 0.13754663358142 0.25556210570726 92.906 > 44 45 Nb 0.44715964321737 0.30961300963594 0.25556210570726 92.906 > 45 46 Nb 0.80421330024809 0.78049297655070 0.07777122762607 92.906 > 46 47 Nb 0.97627967630261 0.19578669975191 0.07777122762607 92.906 > 47 48 Nb 0.21950702344930 0.02372032369739 0.07777122762607 92.906 > 48 49 Nb 0.52912003308524 0.88617369011597 0.58889543904060 92.906 > 43 50 Nb 0.35705365703072 0.47087996691476 0.58889543904060 92.906 > 44 51 Nb 0.11382630988403 0.64294634296928 0.58889543904060 92.906 > 45 52 Nb 0.47087996691476 0.11382630988403 0.41110456095941 92.906 > 46 53 Nb 0.64294634296928 0.52912003308524 0.41110456095941 92.906 > 47 54 Nb 0.88617369011597 0.35705365703072 0.41110456095941 92.906 > 48 55 Nb 0.19578669975191 0.21950702344930 0.92222877237393 92.906 > 43 56 Nb 0.02372032369739 0.80421330024809 0.92222877237393 92.906 > 44 57 Nb 0.78049297655070 0.97627967630261 0.92222877237393 92.906 > 45 58 Nb 0.13754663358142 0.44715964321737 0.74443789429274 92.906 > 46 59 Nb 0.30961300963594 0.86245336641858 0.74443789429274 92.906 > 47 60 Nb 0.55284035678263 0.69038699036406 0.74443789429274 92.906 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6891346 -0.0000100 0.0000000 0.0000100 12.6891346 0.0000000 0.0000000 0.0000000 10.5338453 -------------------------- Born effective charges -------------------------- 1 O -4.2183250 -2.3946438 -0.7822423 -1.6228112 -2.5577319 0.0487546 -1.3938136 -0.2857446 -1.2928255 2 O -1.2332711 -0.1006104 0.4333439 0.6712221 -5.5427858 0.6530644 0.4494447 1.3499503 -1.2928255 3 O -4.7124892 1.3375054 0.3488984 2.1093379 -2.0635677 -0.7018190 0.9443688 -1.0642057 -1.2928255 4 O -4.2183250 -2.3946438 -0.7822423 -1.6228112 -2.5577319 0.0487546 -1.3938136 -0.2857446 -1.2928255 5 O -1.2332711 -0.1006104 0.4333439 0.6712221 -5.5427858 0.6530644 0.4494447 1.3499503 -1.2928255 6 O -4.7124892 1.3375054 0.3488984 2.1093379 -2.0635677 -0.7018190 0.9443688 -1.0642057 -1.2928255 7 O -2.6773940 0.8358112 0.8748904 0.8310247 -1.7336800 -0.6836401 0.5412013 -0.8831271 -3.4050159 8 O -2.6913696 -0.8229559 -1.0294949 -0.8277424 -1.7197044 -0.4158573 -1.0354112 -0.0271305 -3.4050159 9 O -1.2478474 -0.0056756 0.1546045 -0.0104621 -3.1632266 1.0994974 0.4942099 0.9102576 -3.4050159 10 O -2.6913696 -0.8229559 -1.0294949 -0.8277424 -1.7197044 -0.4158573 -1.0354112 -0.0271305 -3.4050159 11 O -2.6773940 0.8358112 0.8748904 0.8310247 -1.7336800 -0.6836401 0.5412013 -0.8831271 -3.4050159 12 O -1.2478474 -0.0056756 0.1546045 -0.0104621 -3.1632266 1.0994974 0.4942099 0.9102576 -3.4050159 13 Ti 8.3836913 0.2170091 -0.0000000 -0.2170091 8.3836913 0.0000000 0.0000000 0.0000000 4.5077943 14 Ti 8.3836913 0.2170091 -0.0000000 -0.2170091 8.3836913 0.0000000 0.0000000 0.0000000 4.5077943 15 Nb 1.9782507 -0.3748666 0.7504620 -0.9972400 3.6197526 0.4645034 0.4301846 -0.4111936 3.1952434 16 Nb 3.8035167 -0.0565778 0.0270408 -0.6789512 1.7944866 -0.8821708 -0.5711964 -0.1669540 3.1952434 17 Nb 2.6152376 1.3650045 -0.7775027 0.7426312 2.9827658 0.4176674 0.1410118 0.5781476 3.1952434 18 Nb 1.9782507 -0.3748666 0.7504620 -0.9972400 3.6197526 0.4645034 0.4301846 -0.4111936 3.1952434 19 Nb 3.8035167 -0.0565778 0.0270408 -0.6789512 1.7944866 -0.8821708 -0.5711964 -0.1669540 3.1952434 20 Nb 2.6152376 1.3650045 -0.7775027 0.7426312 2.9827658 0.4176674 0.1410118 0.5781476 3.1952434 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-08 08:19:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:19:18]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.959385850223160 2.285952486451932 4.812682206666661 b -3.959385850223152 2.285952486451932 4.812682206666661 c 0.000000000000004 -4.571904972903871 4.812682206666661 Atomic positions (fractional): 1 O 0.56959199708068 0.16884763224866 0.26265027737727 15.999 2 O 0.16884763224866 0.26265027737727 0.56959199708068 15.999 3 O 0.26265027737727 0.56959199708068 0.16884763224866 15.999 4 O 0.43040800291932 0.83115236775134 0.73734972262273 15.999 5 O 0.83115236775134 0.73734972262273 0.43040800291932 15.999 6 O 0.73734972262273 0.43040800291932 0.83115236775134 15.999 7 O 0.03490179211831 0.64802219216809 0.79719655631657 15.999 8 O 0.64802219216808 0.79719655631657 0.03490179211831 15.999 9 O 0.20280344368343 0.96509820788169 0.35197780783191 15.999 10 O 0.35197780783192 0.20280344368343 0.96509820788169 15.999 11 O 0.96509820788169 0.35197780783192 0.20280344368343 15.999 12 O 0.79719655631657 0.03490179211831 0.64802219216808 15.999 13 Ti 0.27257521273353 0.27257521273353 0.27257521273353 47.867 14 Ti 0.72742478726647 0.72742478726648 0.72742478726647 47.867 15 Nb 0.11801547212584 0.94594909607132 0.70272174892463 92.906 16 Nb 0.94594909607132 0.70272174892463 0.11801547212584 92.906 17 Nb 0.70272174892463 0.11801547212584 0.94594909607132 92.906 18 Nb 0.88198452787416 0.05405090392868 0.29727825107537 92.906 19 Nb 0.05405090392868 0.29727825107537 0.88198452787416 92.906 20 Nb 0.29727825107537 0.88198452787416 0.05405090392868 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.918771700446312 0.000000000000000 0.000000000000000 b -3.959385850223156 6.857857459355803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.438046620000000 Atomic positions (fractional): 1 O 0.56922869484515 0.73771302485827 0.00036330223554 15.999 > 1 2 O 0.16848433001312 0.43077130515485 0.00036330223554 15.999 > 2 3 O 0.26228697514173 0.83151566998688 0.00036330223554 15.999 > 3 4 O 0.09743797182152 0.59562030847506 0.33297003109779 15.999 > 4 5 O 0.49818233665354 0.90256202817848 0.33297003109779 15.999 > 5 6 O 0.40437969152494 0.50181766334646 0.33297003109779 15.999 > 6 7 O 0.87486161191732 0.36284362388442 0.16004018020099 15.999 > 7 8 O 0.48798201196710 0.12513838808268 0.16004018020099 15.999 > 8 9 O 0.02951029055108 0.82131534530043 0.17329315313235 15.999 > 9 10 O 0.17868465469957 0.20819494525065 0.17329315313235 15.999 > 10 11 O 0.79180505474935 0.97048970944892 0.17329315313235 15.999 > 11 12 O 0.63715637611558 0.51201798803290 0.16004018020099 15.999 > 12 13 O 0.23589536151181 0.07104635819160 0.33369663556887 15.999 > 1 14 O 0.83515099667979 0.76410463848819 0.33369663556887 15.999 > 2 15 O 0.92895364180840 0.16484900332021 0.33369663556887 15.999 > 3 16 O 0.76410463848819 0.92895364180840 0.66630336443113 15.999 > 4 17 O 0.16484900332021 0.23589536151181 0.66630336443113 15.999 > 5 18 O 0.07104635819160 0.83515099667979 0.66630336443113 15.999 > 6 19 O 0.54152827858399 0.69617695721775 0.49337351353432 15.999 > 7 20 O 0.15464867863376 0.45847172141601 0.49337351353432 15.999 > 8 21 O 0.69617695721775 0.15464867863376 0.50662648646568 15.999 > 9 22 O 0.84535132136624 0.54152827858399 0.50662648646568 15.999 > 10 23 O 0.45847172141601 0.30382304278225 0.50662648646568 15.999 > 11 24 O 0.30382304278225 0.84535132136624 0.49337351353432 15.999 > 12 25 O 0.90256202817848 0.40437969152494 0.66702996890221 15.999 > 1 26 O 0.50181766334646 0.09743797182152 0.66702996890221 15.999 > 2 27 O 0.59562030847506 0.49818233665354 0.66702996890221 15.999 > 3 28 O 0.43077130515485 0.26228697514173 0.99963669776446 15.999 > 4 29 O 0.83151566998688 0.56922869484515 0.99963669776446 15.999 > 5 30 O 0.73771302485827 0.16848433001312 0.99963669776446 15.999 > 6 31 O 0.20819494525065 0.02951029055108 0.82670684686766 15.999 > 7 32 O 0.82131534530043 0.79180505474935 0.82670684686766 15.999 > 8 33 O 0.36284362388442 0.48798201196710 0.83995981979901 15.999 > 9 34 O 0.51201798803290 0.87486161191732 0.83995981979901 15.999 > 10 35 O 0.12513838808268 0.63715637611558 0.83995981979901 15.999 > 11 36 O 0.97048970944892 0.17868465469957 0.82670684686766 15.999 > 12 37 Ti 0.33333333333333 0.66666666666667 0.93924187940019 47.867 > 37 38 Ti 0.33333333333333 0.66666666666667 0.39409145393314 47.867 > 38 39 Ti 0.00000000000000 0.00000000000000 0.27257521273353 47.867 > 37 40 Ti 0.00000000000000 0.00000000000000 0.72742478726647 47.867 > 38 41 Ti 0.66666666666667 0.33333333333333 0.60590854606686 47.867 > 37 42 Ti 0.66666666666667 0.33333333333333 0.06075812059981 47.867 > 38 43 Nb 0.86245336641858 0.55284035678263 0.25556210570726 92.906 > 43 44 Nb 0.69038699036406 0.13754663358142 0.25556210570726 92.906 > 44 45 Nb 0.44715964321737 0.30961300963594 0.25556210570726 92.906 > 45 46 Nb 0.80421330024809 0.78049297655070 0.07777122762607 92.906 > 46 47 Nb 0.97627967630261 0.19578669975191 0.07777122762607 92.906 > 47 48 Nb 0.21950702344930 0.02372032369739 0.07777122762607 92.906 > 48 49 Nb 0.52912003308524 0.88617369011597 0.58889543904060 92.906 > 43 50 Nb 0.35705365703072 0.47087996691476 0.58889543904060 92.906 > 44 51 Nb 0.11382630988403 0.64294634296928 0.58889543904060 92.906 > 45 52 Nb 0.47087996691476 0.11382630988403 0.41110456095941 92.906 > 46 53 Nb 0.64294634296928 0.52912003308524 0.41110456095941 92.906 > 47 54 Nb 0.88617369011597 0.35705365703072 0.41110456095941 92.906 > 48 55 Nb 0.19578669975191 0.21950702344930 0.92222877237393 92.906 > 43 56 Nb 0.02372032369739 0.80421330024809 0.92222877237393 92.906 > 44 57 Nb 0.78049297655070 0.97627967630261 0.92222877237393 92.906 > 45 58 Nb 0.13754663358142 0.44715964321737 0.74443789429274 92.906 > 46 59 Nb 0.30961300963594 0.86245336641858 0.74443789429274 92.906 > 47 60 Nb 0.55284035678263 0.69038699036406 0.74443789429274 92.906 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.6891346 -0.0000100 0.0000000 0.0000100 12.6891346 0.0000000 0.0000000 0.0000000 10.5338453 -------------------------- Born effective charges -------------------------- 1 O -4.2183250 -2.3946438 -0.7822423 -1.6228112 -2.5577319 0.0487546 -1.3938136 -0.2857446 -1.2928255 2 O -1.2332711 -0.1006104 0.4333439 0.6712221 -5.5427858 0.6530644 0.4494447 1.3499503 -1.2928255 3 O -4.7124892 1.3375054 0.3488984 2.1093379 -2.0635677 -0.7018190 0.9443688 -1.0642057 -1.2928255 4 O -4.2183250 -2.3946438 -0.7822423 -1.6228112 -2.5577319 0.0487546 -1.3938136 -0.2857446 -1.2928255 5 O -1.2332711 -0.1006104 0.4333439 0.6712221 -5.5427858 0.6530644 0.4494447 1.3499503 -1.2928255 6 O -4.7124892 1.3375054 0.3488984 2.1093379 -2.0635677 -0.7018190 0.9443688 -1.0642057 -1.2928255 7 O -2.6773940 0.8358112 0.8748904 0.8310247 -1.7336800 -0.6836401 0.5412013 -0.8831271 -3.4050159 8 O -2.6913696 -0.8229559 -1.0294949 -0.8277424 -1.7197044 -0.4158573 -1.0354112 -0.0271305 -3.4050159 9 O -1.2478474 -0.0056756 0.1546045 -0.0104621 -3.1632266 1.0994974 0.4942099 0.9102576 -3.4050159 10 O -2.6913696 -0.8229559 -1.0294949 -0.8277424 -1.7197044 -0.4158573 -1.0354112 -0.0271305 -3.4050159 11 O -2.6773940 0.8358112 0.8748904 0.8310247 -1.7336800 -0.6836401 0.5412013 -0.8831271 -3.4050159 12 O -1.2478474 -0.0056756 0.1546045 -0.0104621 -3.1632266 1.0994974 0.4942099 0.9102576 -3.4050159 13 Ti 8.3836913 0.2170091 -0.0000000 -0.2170091 8.3836913 0.0000000 0.0000000 0.0000000 4.5077943 14 Ti 8.3836913 0.2170091 -0.0000000 -0.2170091 8.3836913 0.0000000 0.0000000 0.0000000 4.5077943 15 Nb 1.9782507 -0.3748666 0.7504620 -0.9972400 3.6197526 0.4645034 0.4301846 -0.4111936 3.1952434 16 Nb 3.8035167 -0.0565778 0.0270408 -0.6789512 1.7944866 -0.8821708 -0.5711964 -0.1669540 3.1952434 17 Nb 2.6152376 1.3650045 -0.7775027 0.7426312 2.9827658 0.4176674 0.1410118 0.5781476 3.1952434 18 Nb 1.9782507 -0.3748666 0.7504620 -0.9972400 3.6197526 0.4645034 0.4301846 -0.4111936 3.1952434 19 Nb 3.8035167 -0.0565778 0.0270408 -0.6789512 1.7944866 -0.8821708 -0.5711964 -0.1669540 3.1952434 20 Nb 2.6152376 1.3650045 -0.7775027 0.7426312 2.9827658 0.4176674 0.1410118 0.5781476 3.1952434 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 8 8 8 ] 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: 0.65, Number of G-points: 295, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 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 4.220 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.123 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 11.223 ( 0.000 0.000 0.000) 0.000 11.604 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.972 ( 0.000 0.000 0.000) 0.000 12.972 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.149 ( 0.000 0.000 0.000) 0.000 13.261 ( 0.000 0.000 0.000) 0.000 13.261 ( 0.000 0.000 0.000) 0.000 13.883 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 16.931 ( 0.000 0.000 0.000) 0.000 17.040 ( 0.000 0.000 0.000) 0.000 17.040 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 18.858 ( 0.000 0.000 0.000) 0.000 18.858 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 21.048 ( 0.000 0.000 0.000) 0.000 21.473 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 17.983 23.330 -6.789) 30.229 0.624 ( 20.733 16.647 15.655) 30.855 1.396 ( 48.725 22.193 44.960) 69.915 4.238 ( 2.361 -0.605 -6.503) 6.945 4.426 ( -1.691 -2.025 0.088) 2.640 4.486 ( -2.003 2.199 1.919) 3.540 5.203 ( -7.931 -1.974 -2.928) 8.681 5.456 ( -3.546 -9.760 -0.947) 10.428 5.478 ( 0.099 3.871 0.269) 3.882 5.689 ( 4.461 5.557 6.298) 9.510 5.900 ( 5.767 2.874 -9.754) 11.690 6.066 ( 4.163 -0.051 5.406) 6.823 6.962 ( -5.880 -7.851 -1.769) 9.968 6.995 ( -10.628 0.833 1.044) 10.712 7.302 ( -4.538 -6.871 1.668) 8.401 7.426 ( 2.490 2.767 -5.483) 6.627 7.452 ( -3.518 -0.081 -0.916) 3.636 7.652 ( 2.582 1.810 0.502) 3.193 7.985 ( -4.976 -6.790 -4.493) 9.542 8.066 ( 0.343 -2.528 0.735) 2.655 8.112 ( -3.575 4.495 0.892) 5.812 8.187 ( 1.931 0.961 -3.056) 3.740 8.399 ( 9.960 2.851 1.303) 10.442 8.636 ( 8.954 9.577 -13.872) 19.087 9.095 ( -1.553 -3.228 -0.671) 3.644 9.148 ( 2.013 0.004 1.007) 2.251 9.360 ( -0.658 -0.472 0.097) 0.816 9.460 ( 0.152 0.196 -5.722) 5.727 9.903 ( -7.711 -3.299 -2.347) 8.710 10.139 ( -4.473 2.837 -2.264) 5.761 10.269 ( 5.106 -0.010 -3.948) 6.454 10.302 ( 2.703 -0.656 1.246) 3.048 10.336 ( 1.703 -1.116 -1.528) 2.546 10.468 ( 5.755 3.133 -8.182) 10.483 11.328 ( -2.231 -0.377 12.120) 12.330 11.663 ( 3.777 2.219 2.645) 5.117 12.476 ( -6.172 -4.186 13.051) 15.031 12.914 ( -4.445 2.457 -4.018) 6.476 12.986 ( 2.090 0.659 -2.702) 3.479 13.039 ( -6.520 -3.293 -0.660) 7.334 13.157 ( -0.281 -3.762 0.334) 3.788 13.222 ( 5.632 -0.655 0.408) 5.685 13.292 ( 1.163 6.499 0.077) 6.602 13.659 ( 5.098 2.484 -19.528) 20.335 13.877 ( -5.239 -3.463 5.033) 8.048 13.963 ( -0.234 1.796 3.007) 3.511 14.074 ( -2.904 -3.463 11.158) 12.039 14.297 ( 6.952 2.779 8.548) 11.363 16.929 ( -0.051 -0.234 -0.000) 0.240 17.041 ( 0.442 -1.047 0.561) 1.267 17.277 ( 6.500 4.851 -14.688) 16.779 17.566 ( -1.637 -2.961 0.890) 3.498 17.590 ( -0.324 0.531 -0.995) 1.173 17.865 ( -11.377 -2.107 26.900) 29.283 18.838 ( -2.275 -0.502 0.372) 2.359 18.844 ( -0.933 -0.389 0.381) 1.081 18.956 ( 3.827 -0.077 2.385) 4.510 21.023 ( 7.786 3.619 -12.372) 15.060 21.364 ( 4.819 2.609 -20.134) 20.866 21.492 ( 2.556 1.588 -4.559) 5.463 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 18.141 21.561 -1.882) 28.241 1.214 ( 19.041 15.255 13.291) 27.783 2.679 ( 43.155 18.867 37.466) 60.184 4.073 ( -4.821 -8.516 -11.876) 15.388 4.373 ( -10.467 -4.097 2.619) 11.541 4.512 ( 3.912 5.691 -1.997) 7.188 5.085 ( -3.582 3.160 -0.973) 4.875 5.341 ( -0.823 -7.379 1.002) 7.492 5.535 ( 0.346 1.688 6.552) 6.775 5.783 ( 0.086 1.560 -3.899) 4.200 5.971 ( 1.682 6.670 5.191) 8.618 6.222 ( 10.667 -4.097 6.655) 13.223 6.766 ( -11.571 -6.442 3.230) 13.632 6.835 ( -8.280 2.445 -4.591) 9.779 7.109 ( -8.914 -10.915 -0.387) 14.098 7.296 ( -7.987 -4.329 -4.687) 10.223 7.424 ( 1.975 -3.210 -3.497) 5.141 7.730 ( -0.298 5.059 1.965) 5.435 7.776 ( -4.573 -6.621 -5.897) 9.976 8.124 ( 1.135 0.083 -0.950) 1.483 8.139 ( 1.737 5.272 0.937) 5.630 8.209 ( 3.504 5.610 -1.937) 6.892 8.609 ( 11.952 0.304 0.527) 11.968 8.705 ( 1.508 9.564 -9.975) 13.902 9.011 ( -3.535 -5.114 -0.701) 6.256 9.197 ( 2.607 -0.514 1.818) 3.219 9.330 ( -2.560 -2.655 -0.508) 3.723 9.401 ( -2.455 -0.401 -0.556) 2.549 9.746 ( -4.058 -3.231 -1.865) 5.513 10.054 ( -4.560 1.577 -4.918) 6.890 10.297 ( -1.175 0.977 -0.932) 1.790 10.333 ( 7.364 -0.082 -5.793) 9.370 10.358 ( 1.992 -1.797 0.654) 2.761 10.526 ( 2.426 1.432 -0.275) 2.830 11.429 ( 3.336 2.573 6.768) 7.973 11.770 ( 3.084 2.196 2.832) 4.728 12.456 ( -1.524 -2.614 4.211) 5.186 12.839 ( -3.404 3.687 -5.579) 7.504 12.859 ( -11.423 -1.943 -0.406) 11.594 12.979 ( 0.926 -1.471 -3.891) 4.262 13.126 ( 2.078 -4.031 -0.968) 4.637 13.293 ( 4.217 -0.328 -0.428) 4.251 13.392 ( 2.347 5.180 0.795) 5.742 13.628 ( 3.073 2.141 -7.021) 7.958 13.822 ( -3.464 -3.181 5.290) 7.078 14.002 ( -1.260 1.920 4.692) 5.224 14.108 ( 1.280 -1.047 4.180) 4.495 14.495 ( 6.160 1.950 6.511) 9.173 16.928 ( 0.335 -0.738 0.389) 0.899 17.043 ( 0.606 -1.399 0.484) 1.600 17.306 ( 3.525 5.118 -7.221) 9.527 17.522 ( -0.719 -2.902 -0.089) 2.991 17.572 ( -1.235 0.005 -1.386) 1.856 17.892 ( -6.133 1.655 11.204) 12.879 18.792 ( -2.580 -1.504 0.599) 3.045 18.836 ( -0.844 0.271 0.920) 1.278 19.053 ( 4.782 0.229 3.296) 5.813 21.085 ( 5.647 2.166 -4.640) 7.623 21.288 ( 0.473 -0.361 -8.889) 8.909 21.491 ( -0.095 0.361 -2.139) 2.171 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 12.613 14.579 1.320) 19.323 1.698 ( 13.688 10.736 8.219) 19.240 3.624 ( 22.767 -0.013 13.237) 26.336 3.860 ( -1.297 8.367 -3.565) 9.187 4.139 ( -8.371 -10.777 4.739) 14.445 4.594 ( 2.240 4.561 -3.537) 6.191 5.098 ( -4.348 2.960 1.839) 5.572 5.323 ( 4.873 0.574 2.414) 5.469 5.571 ( -3.807 -1.667 4.040) 5.795 5.823 ( 6.084 3.413 2.190) 7.311 6.085 ( 1.830 1.894 4.205) 4.962 6.345 ( 0.163 -4.977 0.927) 5.065 6.585 ( -6.872 -3.183 3.144) 8.200 6.688 ( -4.950 -3.803 -4.011) 7.420 6.874 ( -6.828 -2.900 -4.282) 8.565 7.103 ( -5.471 -4.770 -2.746) 7.761 7.381 ( 1.007 -4.137 -3.422) 5.462 7.617 ( -3.953 0.173 -4.293) 5.839 7.793 ( -0.207 1.477 3.446) 3.754 8.081 ( -2.990 0.347 -1.855) 3.536 8.269 ( 5.608 3.329 6.254) 9.036 8.339 ( 4.765 7.381 -2.336) 9.091 8.678 ( -1.641 7.620 -12.298) 14.560 8.758 ( 8.676 -4.769 -2.641) 10.246 8.886 ( -6.865 -3.705 2.505) 8.193 9.200 ( -4.822 -1.984 -1.859) 5.536 9.262 ( 1.765 -0.105 1.096) 2.081 9.391 ( -0.033 -2.030 2.602) 3.300 9.718 ( 1.711 -1.801 4.784) 5.391 9.945 ( -4.197 1.627 -7.614) 8.845 10.274 ( -1.424 1.022 -1.096) 2.067 10.361 ( 2.454 -3.346 -0.648) 4.199 10.417 ( 5.261 2.139 -2.390) 6.161 10.544 ( -1.331 0.222 0.496) 1.438 11.584 ( 6.044 2.851 4.699) 8.169 11.821 ( -0.788 0.810 0.833) 1.404 12.461 ( 2.033 -1.710 0.937) 2.817 12.654 ( -9.376 -1.611 -2.286) 9.785 12.793 ( -2.916 2.954 -1.826) 4.535 12.947 ( 0.890 -1.995 -2.003) 2.964 13.125 ( 1.623 -1.372 -1.084) 2.386 13.348 ( 3.295 0.829 -0.764) 3.483 13.438 ( -0.810 1.163 -0.134) 1.423 13.654 ( 2.216 1.249 -1.790) 3.111 13.803 ( -1.337 -1.313 3.608) 4.065 14.038 ( -0.828 1.114 3.682) 3.935 14.160 ( 2.083 0.246 1.714) 2.709 14.626 ( 3.207 0.889 3.424) 4.774 16.932 ( 0.476 -0.823 0.460) 1.056 17.044 ( 0.469 -0.942 0.214) 1.074 17.357 ( 2.017 5.766 -2.815) 6.726 17.492 ( 1.531 -2.620 -2.721) 4.076 17.526 ( -3.161 -1.194 0.546) 3.423 17.897 ( -3.461 1.217 4.849) 6.081 18.750 ( -1.685 -1.024 0.517) 2.038 18.835 ( -0.474 0.256 0.710) 0.891 19.150 ( 3.455 0.336 2.425) 4.234 21.148 ( 3.024 1.668 -1.321) 3.698 21.227 ( 0.347 -1.181 -4.598) 4.760 21.466 ( -1.127 -0.104 -0.826) 1.401 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.598 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 -0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 -0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 -0.000 0.000) 0.000 8.412 ( -0.000 0.000 -0.000) 0.000 8.593 ( -0.000 0.000 0.000) 0.000 8.782 ( -0.000 0.000 0.000) 0.000 8.826 ( 0.000 -0.000 -0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.391 ( 0.000 -0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 9.828 ( -0.000 0.000 -0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 -0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.513 ( -0.000 0.000 0.000) 0.000 11.698 ( -0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 12.514 ( -0.000 0.000 -0.000) 0.000 12.516 ( 0.000 -0.000 0.000) 0.000 12.774 ( -0.000 0.000 0.000) 0.000 12.938 ( 0.000 0.000 0.000) 0.000 13.128 ( 0.000 -0.000 0.000) 0.000 13.401 ( -0.000 -0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 14.053 ( 0.000 -0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 14.670 ( 0.000 0.000 0.000) 0.000 16.934 ( 0.000 0.000 0.000) 0.000 17.044 ( 0.000 0.000 0.000) 0.000 17.406 ( 0.000 0.000 0.000) 0.000 17.465 ( 0.000 -0.000 -0.000) 0.000 17.493 ( -0.000 0.000 0.000) 0.000 17.895 ( 0.000 0.000 0.000) 0.000 18.734 ( 0.000 0.000 0.000) 0.000 18.836 ( 0.000 0.000 0.000) 0.000 19.192 ( 0.000 0.000 0.000) 0.000 21.177 ( 0.000 0.000 0.000) 0.000 21.203 ( 0.000 -0.000 0.000) 0.000 21.451 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -8.593 20.846 14.364) 26.734 1.051 ( 20.076 20.697 38.073) 47.760 1.712 ( -9.555 40.071 53.010) 67.135 4.202 ( -2.906 2.656 -6.654) 7.731 4.401 ( 0.700 -2.204 -2.524) 3.423 4.520 ( 2.901 1.541 3.831) 5.046 5.172 ( 2.358 -10.381 -4.008) 11.375 5.509 ( 1.901 6.596 -4.785) 8.368 5.523 ( -6.494 -2.665 3.570) 7.875 5.565 ( 0.288 -1.023 1.412) 1.768 5.874 ( 3.850 8.721 -0.893) 9.575 6.142 ( -3.884 4.772 8.302) 10.333 6.855 ( 1.091 -12.319 -5.351) 13.476 7.090 ( 2.393 -3.375 2.955) 5.084 7.237 ( -2.773 -7.626 -1.765) 8.304 7.417 ( -0.264 -0.602 -2.845) 2.920 7.524 ( -1.413 3.189 1.832) 3.940 7.600 ( 2.958 -0.046 -2.915) 4.153 7.924 ( -4.236 -0.051 -7.477) 8.594 8.025 ( 2.895 -5.600 -1.980) 6.608 8.086 ( -0.555 -0.039 -1.541) 1.639 8.229 ( 2.649 -0.754 -1.460) 3.117 8.347 ( -3.019 5.474 -3.385) 7.109 8.567 ( 3.663 21.440 -10.595) 24.194 9.117 ( -2.755 0.302 -0.234) 2.781 9.153 ( -1.017 0.502 2.486) 2.733 9.352 ( -0.361 -1.996 -0.929) 2.231 9.411 ( 0.844 2.226 -3.839) 4.518 9.907 ( 2.349 -8.961 -2.588) 9.618 10.042 ( 1.696 -0.275 -8.182) 8.360 10.225 ( -3.329 2.651 -8.034) 9.091 10.290 ( 0.309 0.380 1.648) 1.719 10.371 ( -4.229 3.069 -0.483) 5.248 10.419 ( 2.460 5.367 0.780) 5.955 11.416 ( 0.557 -3.345 8.394) 9.053 11.707 ( 0.077 4.722 6.166) 7.767 12.535 ( -1.265 -16.414 9.531) 19.023 12.873 ( 2.197 -3.902 -4.938) 6.666 12.958 ( 1.876 0.576 -5.092) 5.457 13.044 ( 1.045 -4.111 -1.492) 4.497 13.158 ( -1.842 -1.047 -0.080) 2.120 13.273 ( -4.409 6.619 3.197) 8.572 13.298 ( 5.248 2.876 1.586) 6.191 13.511 ( -0.735 9.660 -14.896) 17.769 13.906 ( 0.093 -7.263 4.398) 8.492 14.030 ( 0.756 1.273 7.118) 7.270 14.115 ( -0.461 -5.087 4.291) 6.671 14.397 ( -1.775 5.370 12.070) 13.329 16.928 ( -0.242 -0.432 0.222) 0.543 16.998 ( -1.651 -2.071 -2.467) 3.620 17.196 ( 1.667 9.290 -6.864) 11.670 17.552 ( -1.172 -1.615 -2.626) 3.298 17.604 ( 0.238 1.594 -0.679) 1.749 18.093 ( 5.160 -24.417 25.557) 35.721 18.846 ( -1.498 -2.257 1.238) 2.979 18.881 ( 3.999 -0.240 2.847) 4.915 18.943 ( -4.736 2.066 1.390) 5.351 20.830 ( -1.585 30.705 -28.200) 41.720 21.237 ( 0.183 7.947 -10.146) 12.889 21.492 ( 0.177 0.212 1.638) 1.661 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 7.110 27.486 10.125) 30.142 1.677 ( -4.713 27.146 36.627) 45.833 2.629 ( 25.563 25.112 41.090) 54.521 4.038 ( -7.500 -1.559 -6.879) 10.296 4.439 ( 0.802 -1.884 -2.374) 3.135 4.541 ( -4.164 1.615 2.646) 5.191 5.087 ( 3.344 -2.523 -2.895) 5.092 5.399 ( -8.228 -2.103 7.095) 11.067 5.531 ( 3.977 -1.367 -2.622) 4.956 5.668 ( 7.016 0.714 -5.141) 8.727 6.072 ( 8.165 2.585 10.266) 13.369 6.146 ( -5.222 -0.421 6.731) 8.529 6.761 ( 1.666 -7.541 -2.200) 8.030 7.005 ( -11.555 -3.605 1.932) 12.257 7.080 ( -4.135 -10.920 -2.377) 11.916 7.357 ( -9.338 -4.737 -5.386) 11.775 7.381 ( -1.226 -0.952 -2.792) 3.195 7.655 ( 4.474 -5.098 -1.182) 6.885 7.844 ( -5.364 7.970 -4.044) 10.424 8.022 ( 4.609 -4.416 -3.538) 7.298 8.140 ( 5.640 5.128 -1.461) 7.761 8.220 ( 0.953 3.395 -3.215) 4.771 8.424 ( 9.307 0.896 -2.555) 9.693 8.689 ( 2.179 13.761 -12.386) 18.643 9.042 ( -5.519 -2.310 2.729) 6.576 9.184 ( 1.254 -0.272 3.455) 3.685 9.312 ( -0.038 -3.361 -2.639) 4.273 9.414 ( -0.445 0.607 -0.192) 0.777 9.759 ( -4.879 -4.865 -3.703) 7.822 10.088 ( 9.803 -0.930 -8.320) 12.891 10.100 ( -4.176 -0.686 -5.258) 6.750 10.325 ( -1.298 3.447 -2.325) 4.356 10.344 ( 0.789 -0.345 0.640) 1.073 10.503 ( 2.287 2.400 1.619) 3.690 11.482 ( 1.053 1.493 7.024) 7.257 11.824 ( 0.404 5.263 7.030) 8.791 12.447 ( -1.117 -8.767 3.037) 9.345 12.834 ( 0.634 -7.240 -4.951) 8.794 12.861 ( -1.168 1.176 -6.662) 6.865 13.052 ( 2.586 -1.973 -1.366) 3.528 13.116 ( -7.516 -1.619 2.204) 7.998 13.243 ( -2.465 8.453 -1.640) 8.957 13.404 ( 3.265 3.127 0.438) 4.542 13.537 ( 4.481 5.138 -6.224) 9.232 13.862 ( -1.650 -7.765 5.485) 9.649 14.095 ( -2.005 2.765 5.839) 6.764 14.115 ( 1.029 -3.698 5.188) 6.453 14.550 ( 0.893 6.821 9.685) 11.880 16.922 ( 0.026 -1.545 1.262) 1.995 16.968 ( 3.081 -2.620 -3.667) 5.459 17.263 ( 2.599 7.009 -3.825) 8.397 17.491 ( -0.976 -1.683 -3.635) 4.123 17.601 ( -1.547 1.170 -0.162) 1.947 18.102 ( -4.857 -8.885 14.291) 17.515 18.798 ( -1.823 -3.649 1.986) 4.537 18.909 ( -3.838 3.222 0.901) 5.091 18.987 ( 5.768 -0.911 3.381) 6.747 20.927 ( 7.726 13.220 -14.082) 20.802 21.224 ( 0.128 3.522 -6.724) 7.591 21.508 ( -0.594 0.193 1.766) 1.873 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 7.851 26.726 9.483) 29.426 2.085 ( -12.244 25.792 30.641) 41.881 3.414 ( 19.345 2.149 16.142) 25.287 3.936 ( -2.372 10.135 -5.052) 11.570 4.220 ( -9.342 -13.000 6.579) 17.308 4.586 ( 0.405 5.364 -2.384) 5.884 5.199 ( 1.991 4.402 3.570) 6.007 5.337 ( -1.403 3.241 2.392) 4.265 5.555 ( 4.509 -6.691 0.238) 8.072 5.739 ( 6.773 -1.360 0.562) 6.931 6.106 ( -3.514 -2.830 5.299) 6.960 6.290 ( 5.728 -5.774 8.555) 11.804 6.674 ( -5.714 -5.151 -1.445) 7.828 6.743 ( -12.270 -4.343 -0.080) 13.016 6.903 ( -3.864 -3.091 -4.728) 6.844 7.133 ( -8.388 -2.220 -5.238) 10.136 7.355 ( 0.906 -0.085 -0.084) 0.913 7.616 ( -1.688 -0.269 -4.744) 5.042 7.819 ( -1.647 0.665 -1.517) 2.336 8.018 ( 4.124 -5.366 -1.506) 6.933 8.256 ( 4.555 3.736 -2.724) 6.491 8.310 ( 6.263 8.846 -2.879) 11.214 8.537 ( 7.566 -4.028 -3.701) 9.336 8.679 ( 0.018 7.449 -11.677) 13.851 8.978 ( -4.460 -0.982 5.126) 6.865 9.217 ( -1.829 -3.893 -0.981) 4.412 9.237 ( 0.464 -0.389 -1.277) 1.413 9.400 ( -1.535 0.200 0.372) 1.592 9.704 ( 2.582 -1.826 3.627) 4.812 9.963 ( -4.853 -0.274 -7.282) 8.755 10.182 ( 9.541 -2.806 -4.536) 10.930 10.287 ( -0.697 0.659 -3.321) 3.457 10.385 ( 1.792 1.978 0.058) 2.670 10.554 ( 0.505 0.981 1.142) 1.588 11.597 ( 2.810 3.370 6.491) 7.835 11.903 ( -3.019 3.931 4.850) 6.935 12.402 ( 1.364 -4.676 0.549) 4.902 12.681 ( -3.738 -4.687 -6.265) 8.671 12.863 ( 3.673 -1.075 -2.995) 4.860 12.944 ( -8.108 -1.240 0.773) 8.239 13.104 ( 0.251 2.268 1.335) 2.644 13.303 ( 2.302 5.739 -1.715) 6.417 13.447 ( 0.542 0.455 -1.786) 1.921 13.601 ( 3.554 3.028 -2.873) 5.482 13.822 ( -0.966 -6.677 5.202) 8.519 14.117 ( -2.321 2.317 2.053) 3.869 14.163 ( 0.826 -1.454 6.545) 6.755 14.683 ( -0.749 5.660 6.662) 8.774 16.927 ( 0.359 -1.624 2.451) 2.962 16.971 ( 4.295 -2.440 -4.013) 6.365 17.336 ( 2.924 5.536 -2.816) 6.865 17.431 ( -0.497 -1.078 -4.672) 4.820 17.581 ( -2.372 0.631 1.489) 2.871 18.041 ( -6.995 -3.299 6.721) 10.246 18.761 ( -1.209 -2.632 1.440) 3.234 18.886 ( -3.274 2.312 0.824) 4.092 19.097 ( 5.323 -1.550 3.463) 6.537 21.042 ( 7.340 5.914 -7.077) 11.787 21.195 ( -0.623 1.671 -3.748) 4.150 21.505 ( -1.794 -0.023 2.090) 2.755 ======================= Grid point 13 (9/90) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -7.262 19.040 8.164) 21.952 2.245 ( -19.826 14.344 21.444) 32.537 3.629 ( 3.631 -1.408 4.496) 5.948 3.877 ( 3.755 -1.073 -2.829) 4.822 4.220 ( -1.969 -1.887 -1.408) 3.069 4.621 ( 0.245 5.531 1.151) 5.655 5.124 ( -8.215 -0.163 1.301) 8.319 5.426 ( 4.050 -2.344 -7.367) 8.727 5.612 ( -5.036 -0.356 8.968) 10.291 5.828 ( 6.867 -5.516 3.700) 9.554 6.087 ( 2.559 -2.662 -0.354) 3.709 6.263 ( -0.480 -5.828 3.423) 6.776 6.471 ( -7.793 -4.364 -1.818) 9.115 6.672 ( -0.602 3.742 -0.795) 3.873 6.886 ( -1.716 6.970 3.620) 8.039 6.982 ( -1.120 -2.953 -2.895) 4.284 7.398 ( 2.046 1.847 1.372) 3.078 7.565 ( -2.113 3.229 -1.975) 4.335 7.773 ( 0.900 -3.548 -4.004) 5.425 7.983 ( 1.160 -4.206 -5.169) 6.765 8.327 ( 4.176 -5.481 -1.670) 7.090 8.426 ( 2.254 6.401 -4.544) 8.167 8.554 ( 8.338 -3.538 -3.720) 9.792 8.680 ( -1.811 3.046 3.877) 5.252 8.980 ( -2.637 4.580 3.375) 6.270 9.122 ( -0.999 -2.735 -1.617) 3.331 9.258 ( 1.776 -0.517 -1.686) 2.502 9.388 ( -0.358 1.757 -1.994) 2.682 9.814 ( -2.877 -0.738 -7.029) 7.631 9.815 ( 3.323 -1.690 7.160) 8.073 10.220 ( 2.692 -2.720 -1.931) 4.287 10.310 ( 5.578 0.971 -2.798) 6.315 10.431 ( 2.225 1.270 -0.381) 2.590 10.556 ( -2.080 0.321 1.272) 2.460 11.716 ( 1.260 1.976 4.854) 5.390 11.876 ( -6.540 2.312 1.385) 7.074 12.419 ( 4.305 -1.620 -0.347) 4.613 12.550 ( -2.584 -3.170 -3.071) 5.114 12.832 ( -2.738 -3.308 1.945) 4.714 12.915 ( 1.345 2.579 -0.282) 2.922 13.143 ( 0.203 2.655 1.593) 3.103 13.373 ( 1.718 2.152 -0.505) 2.800 13.415 ( -0.363 0.757 -3.276) 3.382 13.648 ( 2.144 1.725 -1.673) 3.220 13.790 ( -0.463 -6.272 3.113) 7.017 14.094 ( -3.633 2.355 -1.586) 4.610 14.208 ( -0.427 -1.763 5.174) 5.483 14.738 ( -3.656 4.355 3.255) 6.552 16.942 ( -0.075 -0.182 2.040) 2.050 16.987 ( 4.256 -2.094 -3.317) 5.788 17.370 ( 0.506 -2.393 -3.510) 4.278 17.408 ( 2.679 3.709 -2.625) 5.275 17.575 ( -2.381 1.775 3.659) 4.712 17.948 ( -5.685 -2.497 1.601) 6.412 18.736 ( -0.812 -0.882 0.298) 1.236 18.864 ( -2.397 1.403 0.714) 2.868 19.168 ( 2.490 -2.224 1.567) 3.688 21.139 ( 5.347 2.883 -3.773) 7.151 21.179 ( -0.024 1.155 -0.997) 1.526 21.495 ( -2.028 0.213 2.784) 3.451 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -25.074 6.266 6.900) 26.750 2.090 ( -30.132 3.986 16.081) 34.386 3.733 ( 4.784 -11.179 -2.188) 12.354 3.845 ( -14.738 4.019 -15.406) 21.696 4.116 ( 6.310 8.581 6.839) 12.658 4.637 ( -4.532 -0.541 1.451) 4.789 5.036 ( -2.666 -3.465 -0.281) 4.381 5.359 ( 0.712 1.509 -8.162) 8.331 5.535 ( -3.413 -1.332 4.518) 5.816 5.834 ( -2.162 -6.849 1.017) 7.254 6.022 ( -2.377 -6.734 -6.162) 9.432 6.314 ( 4.602 -1.391 2.049) 5.227 6.473 ( 7.418 2.269 -1.361) 7.876 6.729 ( -1.020 4.380 2.037) 4.937 6.867 ( -0.177 3.771 -0.053) 3.776 7.107 ( 5.278 8.414 5.238) 11.229 7.454 ( 2.423 0.849 -0.165) 2.573 7.585 ( 1.541 2.000 2.253) 3.384 7.710 ( 2.179 -3.779 -5.442) 6.974 7.972 ( 6.165 -2.789 -1.415) 6.913 8.278 ( -1.864 -6.256 2.402) 6.956 8.390 ( -5.225 0.012 -3.486) 6.281 8.624 ( 5.487 -5.422 0.937) 7.771 8.804 ( 5.598 3.650 7.773) 10.251 8.977 ( -6.893 4.111 1.381) 8.144 9.149 ( 4.788 1.910 1.201) 5.293 9.244 ( 0.759 -0.662 -4.453) 4.566 9.375 ( 0.203 2.540 -5.774) 6.311 9.701 ( -0.721 -0.915 -4.575) 4.721 9.935 ( 3.542 -1.795 7.359) 8.362 10.237 ( 2.805 -0.340 -0.529) 2.875 10.372 ( 2.123 0.524 -0.420) 2.226 10.464 ( 2.414 -1.224 -1.431) 3.062 10.530 ( -2.936 1.083 1.682) 3.553 11.662 ( -9.105 -1.700 -1.241) 9.345 11.850 ( -2.076 2.311 2.377) 3.912 12.437 ( 0.811 -3.337 -3.249) 4.728 12.558 ( 6.169 2.245 2.082) 6.887 12.810 ( -0.559 -2.139 4.771) 5.258 12.957 ( 1.508 1.876 -0.116) 2.410 13.185 ( -0.882 3.280 2.802) 4.403 13.333 ( -0.078 -3.965 -3.167) 5.075 13.459 ( 0.211 5.367 -0.064) 5.372 13.669 ( 0.294 0.068 -0.002) 0.302 13.748 ( 0.671 -5.374 0.519) 5.440 14.022 ( -3.415 1.023 -5.142) 6.257 14.196 ( -3.086 -1.916 2.429) 4.370 14.704 ( -6.618 2.790 0.197) 7.185 16.949 ( -0.725 1.178 -0.380) 1.435 17.005 ( 3.015 -1.925 -1.746) 3.981 17.340 ( 0.698 -2.221 0.439) 2.369 17.457 ( 2.993 1.022 -1.901) 3.690 17.599 ( -2.118 2.728 4.649) 5.792 17.853 ( -2.859 -2.569 -2.222) 4.439 18.728 ( 0.468 0.427 -0.876) 1.081 18.851 ( -1.546 1.227 0.799) 2.130 19.156 ( -1.190 -2.882 -1.045) 3.288 21.163 ( -0.349 0.567 -0.789) 1.033 21.229 ( 3.729 1.561 -0.163) 4.045 21.502 ( -0.971 0.760 3.567) 3.775 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -30.872 -1.127 10.495) 32.627 1.707 ( -37.611 2.646 15.384) 40.722 2.922 ( -42.413 -14.632 -29.416) 53.649 4.076 ( 15.544 7.884 -1.689) 17.510 4.338 ( -0.656 7.267 9.736) 12.166 4.540 ( -3.522 -6.250 1.225) 7.278 5.006 ( 3.427 -2.405 2.581) 4.919 5.312 ( 1.335 0.821 -11.538) 11.644 5.588 ( -2.274 6.810 8.872) 11.413 5.773 ( -1.079 -7.067 1.364) 7.278 5.873 ( 0.361 -3.774 -4.874) 6.175 6.296 ( -3.175 -2.546 -8.234) 9.185 6.619 ( 8.859 5.350 -1.278) 10.427 6.726 ( 4.670 -4.587 3.161) 7.269 7.030 ( 8.892 6.414 -0.043) 10.964 7.282 ( 3.897 6.265 2.116) 7.676 7.485 ( 1.585 1.172 -1.622) 2.553 7.622 ( 4.140 -4.845 -2.159) 6.728 7.794 ( 6.489 5.272 5.598) 10.061 8.048 ( 4.399 -2.817 1.018) 5.322 8.212 ( -5.108 -1.272 2.251) 5.725 8.253 ( -6.629 -3.231 0.885) 7.428 8.646 ( 0.952 -6.687 2.931) 7.363 8.853 ( -10.830 3.795 -0.061) 11.475 8.987 ( 5.737 2.747 2.897) 6.989 9.205 ( -0.157 -0.787 -4.029) 4.108 9.287 ( 6.787 2.858 2.192) 7.684 9.353 ( 1.667 0.305 -4.433) 4.746 9.705 ( 4.178 -0.035 -0.574) 4.217 10.030 ( 3.082 -0.016 4.821) 5.722 10.281 ( 2.004 0.928 0.199) 2.217 10.366 ( -1.848 -2.431 1.179) 3.274 10.452 ( -1.284 0.310 -1.990) 2.389 10.525 ( -0.296 0.482 0.475) 0.739 11.472 ( -9.541 -1.747 -2.280) 9.964 11.824 ( -4.923 0.614 0.662) 5.006 12.390 ( 0.838 -2.431 -3.131) 4.052 12.735 ( 9.197 3.551 1.943) 10.049 12.853 ( 1.160 -0.856 6.796) 6.947 12.998 ( 2.086 0.345 0.717) 2.233 13.201 ( -2.339 1.995 -2.283) 3.829 13.282 ( 0.264 -3.057 1.352) 3.353 13.456 ( -5.536 2.572 -1.153) 6.213 13.681 ( 2.305 -2.070 3.315) 4.538 13.752 ( 1.877 0.197 0.932) 2.105 13.932 ( -0.911 -0.644 -7.120) 7.207 14.129 ( -4.152 -1.313 -0.577) 4.393 14.585 ( -9.520 0.991 -1.941) 9.767 16.937 ( -0.478 0.693 -1.679) 1.878 17.016 ( 1.598 -1.327 -0.680) 2.186 17.359 ( 0.364 -0.266 3.839) 3.866 17.490 ( 2.369 0.238 -1.369) 2.747 17.624 ( -1.942 1.027 3.710) 4.311 17.778 ( -0.881 -1.752 -3.412) 3.935 18.745 ( 2.048 1.145 -1.490) 2.780 18.853 ( -0.850 1.295 1.375) 2.071 19.073 ( -3.296 -2.903 -2.639) 5.124 21.141 ( -2.149 -0.131 -0.075) 2.155 21.303 ( 3.936 0.989 0.858) 4.148 21.537 ( 0.120 0.822 3.856) 3.944 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -29.134 -1.279 16.738) 33.624 1.220 ( -39.140 0.136 1.154) 39.157 1.848 ( -55.068 0.453 -8.704) 55.753 4.271 ( 7.785 -0.006 -9.693) 12.433 4.402 ( -4.615 4.335 6.964) 9.412 4.474 ( 1.066 -4.774 2.805) 5.639 5.131 ( 5.425 1.088 5.150) 7.559 5.296 ( 8.777 0.227 -7.276) 11.403 5.618 ( -3.742 -9.288 -3.047) 10.467 5.675 ( -6.263 8.807 8.449) 13.717 5.917 ( 3.390 0.814 0.517) 3.525 6.123 ( -5.213 -1.484 -5.771) 7.918 6.798 ( 10.654 -0.349 0.193) 10.662 6.882 ( 11.066 1.109 3.350) 11.615 7.182 ( 8.085 -0.586 -2.685) 8.539 7.397 ( 5.094 1.006 0.759) 5.248 7.498 ( 0.829 0.439 -3.051) 3.192 7.632 ( 2.035 -1.356 1.267) 2.754 7.937 ( 3.349 -3.260 -1.274) 4.844 8.092 ( 0.488 5.593 3.660) 6.702 8.107 ( -4.583 1.930 -1.980) 5.352 8.203 ( -1.359 -4.701 3.895) 6.255 8.528 ( -9.341 -0.350 -3.328) 9.922 8.781 ( -4.935 0.735 4.458) 6.691 9.081 ( 3.152 -0.711 -0.911) 3.358 9.153 ( -1.688 1.299 -3.500) 4.097 9.349 ( 1.438 -0.158 -1.272) 1.927 9.427 ( 5.765 0.050 1.040) 5.858 9.807 ( 8.213 -0.874 0.659) 8.285 10.116 ( 2.516 1.596 2.992) 4.223 10.292 ( -1.778 -1.152 -1.269) 2.470 10.326 ( -0.324 -0.985 1.522) 1.841 10.391 ( -3.841 0.622 -3.910) 5.516 10.526 ( -0.052 0.541 -1.307) 1.416 11.323 ( -6.648 -0.054 1.031) 6.728 11.732 ( -6.529 0.057 0.069) 6.529 12.379 ( 1.507 0.063 -0.364) 1.552 12.911 ( 6.299 4.872 -0.610) 7.987 12.940 ( 3.182 -1.857 7.290) 8.168 13.019 ( 0.591 -3.918 -0.651) 4.015 13.132 ( 0.926 -0.735 -4.860) 5.002 13.287 ( -3.044 0.158 0.408) 3.075 13.351 ( -6.230 1.352 1.008) 6.455 13.764 ( 5.434 -1.424 3.365) 6.548 13.796 ( 1.411 1.055 -5.084) 5.380 13.896 ( 1.908 0.973 3.520) 4.120 14.038 ( -4.169 -0.929 -2.236) 4.821 14.405 ( -11.109 0.214 -0.997) 11.156 16.927 ( 0.269 0.060 -0.865) 0.907 17.022 ( 0.826 -0.080 -0.434) 0.937 17.386 ( -0.959 0.559 0.870) 1.410 17.518 ( 2.570 0.438 -1.491) 3.003 17.613 ( -0.898 -1.643 -0.056) 1.874 17.747 ( -2.241 0.537 4.640) 5.181 18.786 ( 2.921 1.523 -0.983) 3.438 18.864 ( -0.430 -0.659 1.736) 1.906 18.977 ( -3.226 -0.700 -2.010) 3.865 21.098 ( -2.670 0.173 -0.616) 2.746 21.381 ( 4.367 -0.028 -0.178) 4.371 21.569 ( 0.341 -0.126 -0.109) 0.380 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -5.303 19.809 19.500) 28.298 1.281 ( 6.296 20.364 32.190) 38.607 2.811 ( -24.910 33.621 43.122) 60.086 4.160 ( 8.520 5.398 -9.383) 13.776 4.358 ( -6.134 -2.885 -5.471) 8.711 4.498 ( 7.382 -2.283 7.620) 10.853 5.017 ( -0.315 -7.948 -1.605) 8.115 5.437 ( 4.939 3.651 -6.528) 8.963 5.567 ( -2.585 -0.405 6.015) 6.560 5.735 ( -7.754 -6.902 9.966) 14.391 5.862 ( -0.622 1.613 -3.015) 3.476 6.350 ( -3.200 7.285 8.759) 11.833 6.695 ( -0.263 -8.354 -4.858) 9.668 6.916 ( 11.988 -8.891 2.618) 15.153 7.204 ( 1.843 -7.273 -0.177) 7.505 7.346 ( 3.702 -2.007 -2.799) 5.057 7.515 ( 7.008 8.015 -0.931) 10.687 7.615 ( -5.861 -3.756 -0.407) 6.973 7.821 ( 6.849 -2.639 -9.109) 11.698 8.016 ( -3.813 -1.320 -1.044) 4.168 8.083 ( -2.430 -1.913 -4.166) 5.188 8.157 ( -3.034 0.006 -1.606) 3.433 8.406 ( -6.705 -0.107 -9.246) 11.422 8.662 ( -2.353 14.562 -6.022) 15.932 9.113 ( 4.831 0.340 1.425) 5.048 9.211 ( -1.999 2.258 1.604) 3.416 9.324 ( 0.117 -5.554 -4.594) 7.208 9.399 ( -0.409 2.633 1.814) 3.223 9.754 ( 2.770 -3.362 -2.216) 4.888 9.979 ( 0.167 -3.932 -6.468) 7.571 10.214 ( -3.680 0.157 -6.920) 7.839 10.305 ( -0.492 1.779 0.207) 1.857 10.421 ( 0.455 4.368 -2.279) 4.947 10.487 ( -3.276 1.674 1.319) 3.908 11.472 ( -0.978 1.424 7.659) 7.851 11.815 ( 0.036 4.654 6.593) 8.070 12.484 ( -0.144 -9.066 4.885) 10.299 12.752 ( 1.769 -4.459 -5.861) 7.574 12.855 ( 3.828 -4.900 -4.187) 7.496 12.977 ( 1.219 1.327 -2.570) 3.138 13.189 ( 1.688 1.283 -3.525) 4.113 13.265 ( -3.266 -0.339 4.191) 5.324 13.384 ( 2.000 8.589 -2.920) 9.290 13.549 ( -5.301 4.845 -2.797) 7.707 13.857 ( 1.594 -7.226 3.701) 8.274 14.068 ( 1.088 -1.776 7.223) 7.517 14.125 ( 0.454 -0.134 2.984) 3.021 14.592 ( -1.579 7.491 9.977) 12.576 16.933 ( -0.225 -0.265 -0.031) 0.349 17.019 ( -5.422 -3.254 -1.005) 6.403 17.202 ( 0.244 6.116 -5.399) 8.162 17.533 ( -1.314 -1.307 -3.273) 3.762 17.587 ( 3.220 2.021 -0.659) 3.858 17.971 ( 6.170 -11.972 12.854) 18.618 18.836 ( 2.262 -1.181 2.510) 3.579 18.863 ( 1.615 0.202 2.035) 2.605 19.050 ( -4.270 0.692 3.217) 5.391 20.970 ( -8.303 13.850 -12.874) 20.651 21.224 ( -0.436 4.365 -7.303) 8.519 21.496 ( 1.034 -0.588 1.518) 1.928 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -4.304 25.898 17.914) 31.783 2.051 ( 18.768 18.544 35.337) 44.100 3.192 ( -12.842 31.759 36.299) 49.912 4.128 ( -7.825 1.350 -4.440) 9.098 4.330 ( 7.618 -0.154 -3.050) 8.207 4.651 ( -0.105 2.141 6.638) 6.975 4.911 ( 4.457 -8.686 -2.628) 10.111 5.431 ( -0.388 0.624 -9.040) 9.069 5.559 ( 3.146 -0.774 -3.760) 4.963 5.627 ( -10.350 -3.501 13.647) 17.482 5.962 ( 9.817 -2.465 5.003) 11.290 6.333 ( -7.213 -3.594 5.109) 9.542 6.680 ( 1.845 1.892 0.957) 2.811 6.979 ( 4.130 -8.863 0.183) 9.780 7.129 ( -3.553 -5.320 3.463) 7.275 7.355 ( 0.540 -0.811 -2.037) 2.258 7.418 ( -12.196 -7.204 -1.093) 14.207 7.593 ( -0.204 1.384 -3.322) 3.605 7.857 ( 6.166 -2.928 -6.004) 9.091 7.977 ( -6.912 5.797 -5.565) 10.600 8.032 ( 7.958 -2.284 -5.516) 9.949 8.100 ( 8.604 3.664 -5.663) 10.933 8.335 ( -0.029 -1.293 -0.804) 1.523 8.678 ( -0.921 10.276 -13.401) 16.913 9.156 ( -3.231 1.170 1.008) 3.581 9.199 ( 1.377 -5.339 -0.156) 5.516 9.242 ( -1.687 0.169 1.086) 2.013 9.440 ( 0.028 2.377 1.750) 2.952 9.724 ( -0.777 -4.902 -3.042) 5.822 9.911 ( 3.732 -0.509 -5.789) 6.906 10.090 ( -3.310 -1.186 -7.735) 8.496 10.330 ( 0.993 0.138 0.633) 1.186 10.378 ( -4.055 2.800 -3.189) 5.870 10.518 ( 1.152 2.371 1.738) 3.157 11.550 ( 0.133 3.356 7.003) 7.767 11.941 ( 0.693 5.840 7.758) 9.735 12.414 ( -1.639 -7.966 2.733) 8.580 12.696 ( 2.505 -7.702 -3.447) 8.803 12.807 ( 0.609 -1.012 -7.446) 7.540 12.985 ( 1.542 -0.609 -2.572) 3.060 13.157 ( -2.040 0.121 1.474) 2.519 13.311 ( 2.906 1.517 -1.388) 3.560 13.473 ( 3.428 6.424 -6.023) 9.449 13.497 ( -6.624 6.985 2.952) 10.069 13.839 ( 0.493 -7.315 4.155) 8.427 14.091 ( 1.786 -4.659 4.097) 6.456 14.193 ( -0.295 1.384 6.932) 7.075 14.724 ( -1.696 8.583 9.177) 12.680 16.881 ( -1.162 -4.055 -4.404) 6.099 16.937 ( -1.239 -0.217 1.967) 2.335 17.263 ( 2.465 6.089 -2.112) 6.900 17.462 ( -1.559 -1.257 -4.671) 5.082 17.628 ( 0.087 2.355 -0.408) 2.392 18.074 ( 6.521 -12.174 10.524) 17.364 18.834 ( -2.659 -2.578 2.772) 4.626 18.938 ( 3.642 0.412 3.109) 4.806 19.011 ( -4.058 1.839 1.873) 4.832 20.920 ( -2.141 15.588 -10.675) 19.013 21.208 ( -0.124 3.410 -4.927) 5.994 21.522 ( 0.761 -0.723 2.057) 2.309 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 2.343 29.673 18.419) 35.003 2.713 ( 3.747 21.169 30.379) 37.217 3.443 ( -5.432 8.062 13.922) 16.980 3.954 ( -5.894 -5.363 -14.952) 16.943 4.388 ( -6.799 3.067 17.835) 19.332 4.656 ( -3.765 3.614 2.100) 5.626 5.064 ( 16.525 0.167 -1.946) 16.640 5.331 ( -0.527 -1.345 -9.669) 9.777 5.572 ( -0.430 0.972 5.053) 5.163 5.617 ( 2.237 -3.831 7.896) 9.057 6.151 ( 9.697 -7.088 7.301) 14.056 6.229 ( -5.791 -3.987 4.399) 8.293 6.696 ( -0.886 1.281 -2.724) 3.138 6.927 ( -6.508 -2.988 1.913) 7.412 6.954 ( -14.773 -6.367 3.450) 16.452 7.204 ( -5.370 -0.977 -4.391) 7.005 7.295 ( -0.700 -3.560 -0.665) 3.689 7.616 ( 1.448 4.117 -0.623) 4.408 7.796 ( 0.427 -3.989 -11.041) 11.747 7.881 ( 2.560 -3.306 -2.970) 5.129 8.159 ( 5.092 0.509 -2.989) 5.926 8.249 ( 6.806 7.812 -4.889) 11.456 8.369 ( 7.234 -1.953 -0.989) 7.558 8.608 ( 1.433 5.634 -13.268) 14.486 9.099 ( -2.434 -2.865 1.650) 4.105 9.164 ( 0.204 -4.498 -3.219) 5.535 9.236 ( -3.351 1.317 2.613) 4.449 9.460 ( -2.671 1.991 1.831) 3.802 9.665 ( 2.613 -1.346 0.447) 2.973 9.935 ( -0.152 -4.534 -7.353) 8.640 9.999 ( 5.043 2.041 -3.619) 6.534 10.279 ( -2.327 -1.633 -2.902) 4.062 10.386 ( 0.867 3.267 -0.161) 3.384 10.568 ( 0.961 1.511 1.207) 2.159 11.658 ( 1.243 4.658 6.662) 8.224 12.039 ( -2.457 4.492 5.339) 7.397 12.358 ( -0.135 -4.477 1.423) 4.700 12.607 ( -0.294 -7.240 -4.385) 8.470 12.776 ( 2.344 -0.182 -4.005) 4.644 12.956 ( -0.031 -2.598 -2.394) 3.533 13.161 ( -0.863 1.303 2.891) 3.286 13.347 ( 1.383 4.941 -3.771) 6.368 13.450 ( -4.527 1.737 0.978) 4.947 13.559 ( 3.150 4.811 -2.977) 6.476 13.816 ( -0.710 -5.521 4.304) 7.036 14.125 ( 2.312 -3.706 4.140) 6.018 14.243 ( -1.898 1.640 5.388) 5.943 14.838 ( -2.485 7.367 7.089) 10.522 16.826 ( 3.746 -4.058 -4.681) 7.239 16.945 ( -0.437 -0.302 3.452) 3.492 17.333 ( 1.727 5.235 -1.709) 5.771 17.387 ( -0.738 -0.746 -5.941) 6.033 17.638 ( -1.486 2.013 1.436) 2.885 18.098 ( -0.261 -9.203 5.321) 10.634 18.789 ( -2.865 -2.026 3.034) 4.638 18.978 ( -3.783 3.352 0.195) 5.058 19.034 ( 4.315 -1.315 3.653) 5.805 20.976 ( 2.765 10.143 -6.187) 12.199 21.192 ( -0.443 2.293 -3.329) 4.066 21.536 ( -0.265 -1.001 2.034) 2.283 ======================= Grid point 21 (16/90) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -4.540 25.857 17.092) 31.327 2.959 ( -21.736 18.585 19.082) 34.380 3.537 ( 0.910 -12.577 -3.063) 12.977 3.760 ( 10.826 1.332 4.890) 11.954 4.298 ( -15.158 -1.258 -6.881) 16.694 4.725 ( -0.603 8.377 7.163) 11.038 5.154 ( 7.226 -4.660 -12.229) 14.949 5.269 ( -3.063 -5.482 4.852) 7.936 5.677 ( 6.323 -3.608 1.484) 7.430 5.793 ( 3.523 5.223 15.528) 16.757 6.104 ( -8.855 -4.158 -0.110) 9.783 6.205 ( 2.613 -5.689 1.369) 6.409 6.609 ( -11.564 -1.500 -1.810) 11.800 6.732 ( -3.193 2.479 0.679) 4.099 6.916 ( 1.136 2.545 4.132) 4.984 7.086 ( -6.985 3.788 0.197) 7.949 7.294 ( 4.681 -5.989 0.065) 7.601 7.637 ( 2.061 -2.543 -7.244) 7.949 7.682 ( -3.868 3.737 -2.836) 6.081 7.867 ( 1.870 -4.689 -6.686) 8.378 8.182 ( 6.453 -1.542 -1.341) 6.769 8.334 ( 3.868 -3.341 -3.480) 6.183 8.444 ( 5.310 3.042 -0.518) 6.141 8.686 ( 7.559 7.251 -5.253) 11.718 9.059 ( -0.280 -3.675 1.331) 3.919 9.087 ( -0.476 -3.015 -2.937) 4.236 9.216 ( -1.805 0.569 0.817) 2.062 9.438 ( -3.836 3.500 -0.312) 5.202 9.771 ( 3.358 -1.162 0.555) 3.597 9.791 ( -0.127 -3.584 -2.397) 4.314 10.099 ( 6.696 -0.951 -1.146) 6.859 10.238 ( 1.659 1.714 -2.803) 3.680 10.423 ( 0.847 1.323 0.162) 1.579 10.592 ( -0.327 0.803 0.852) 1.216 11.775 ( 0.829 3.596 6.169) 7.189 12.020 ( -6.749 1.943 0.692) 7.057 12.358 ( 2.065 -1.061 0.584) 2.394 12.510 ( -0.620 -4.492 -2.470) 5.163 12.775 ( 2.230 -2.859 -2.291) 4.288 12.938 ( 0.881 0.117 0.600) 1.072 13.197 ( -0.351 2.765 3.333) 4.345 13.368 ( -0.509 -1.794 -4.501) 4.872 13.408 ( -0.621 5.051 0.224) 5.094 13.620 ( 2.530 3.587 -2.078) 4.856 13.781 ( -2.010 -5.228 3.464) 6.586 14.137 ( -1.149 -2.033 0.465) 2.381 14.261 ( -2.000 0.225 4.386) 4.826 14.890 ( -4.736 5.290 4.270) 8.285 16.837 ( 6.270 -2.444 -4.789) 8.259 16.974 ( -0.464 -0.125 4.786) 4.810 17.324 ( -0.013 -1.470 -3.960) 4.224 17.382 ( 1.563 4.117 -3.119) 5.396 17.654 ( -1.396 2.288 3.273) 4.230 18.003 ( -4.724 -6.977 0.422) 8.437 18.760 ( -2.165 -0.378 1.774) 2.825 18.945 ( -4.200 2.876 0.520) 5.117 19.110 ( 3.694 -2.622 2.121) 5.002 21.068 ( 4.433 5.580 -2.792) 7.654 21.183 ( -0.251 1.851 -1.812) 2.602 21.534 ( -0.741 -1.211 2.007) 2.459 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -24.694 8.023 11.041) 28.215 2.839 ( -30.969 12.211 18.358) 38.015 3.481 ( 11.342 -6.352 -4.767) 13.846 3.813 ( -7.598 -9.882 -25.198) 28.113 4.201 ( 8.136 9.400 17.260) 21.272 4.781 ( -7.261 7.121 1.904) 10.347 5.102 ( -9.328 -6.239 -0.109) 11.222 5.199 ( 8.167 -2.767 -6.450) 10.769 5.687 ( -7.434 0.006 5.680) 9.356 5.784 ( -2.263 -10.223 4.249) 11.300 6.002 ( -3.869 3.021 -5.742) 7.554 6.257 ( 3.159 0.292 -2.827) 4.249 6.430 ( -2.910 -1.895 2.254) 4.140 6.794 ( -0.202 3.750 0.831) 3.846 6.931 ( -3.477 2.847 -0.285) 4.502 7.177 ( 3.167 9.748 7.188) 12.519 7.317 ( 6.682 -6.542 -2.298) 9.629 7.534 ( 2.241 -4.371 -9.832) 10.991 7.665 ( -1.193 1.109 2.867) 3.297 7.852 ( 5.986 0.238 -1.988) 6.312 8.261 ( 1.564 -5.974 6.964) 9.308 8.358 ( 5.435 -1.781 -1.414) 5.891 8.530 ( 3.147 4.900 -4.243) 7.205 8.820 ( 5.432 1.264 4.123) 6.936 9.020 ( 1.628 -4.161 -3.327) 5.570 9.112 ( 4.651 1.339 1.120) 4.968 9.204 ( -1.469 2.491 -1.747) 3.379 9.367 ( -5.218 1.920 -6.222) 8.344 9.662 ( -1.283 -3.289 -2.121) 4.118 9.915 ( 5.009 -1.346 5.824) 7.798 10.163 ( 4.739 0.194 -1.499) 4.974 10.315 ( 4.979 3.206 -0.551) 5.948 10.431 ( -0.147 -1.077 -0.160) 1.099 10.590 ( -1.533 0.672 0.595) 1.776 11.791 ( -7.672 -0.475 1.643) 7.860 11.937 ( -3.542 2.142 0.610) 4.184 12.382 ( 0.695 -0.963 -1.269) 1.738 12.499 ( 4.290 -0.306 1.088) 4.436 12.776 ( 3.325 -3.233 0.091) 4.639 12.973 ( 0.607 1.889 1.059) 2.249 13.255 ( -0.815 3.882 2.474) 4.675 13.276 ( -1.115 -4.536 -2.098) 5.120 13.480 ( 3.000 5.029 -1.077) 5.954 13.650 ( -0.213 -0.263 -2.773) 2.794 13.737 ( -1.148 -2.360 4.792) 5.463 14.052 ( -4.921 -1.350 -4.419) 6.751 14.252 ( -2.881 -1.580 2.923) 4.398 14.857 ( -7.368 3.087 1.605) 8.148 16.879 ( 5.190 0.169 -5.181) 7.335 17.002 ( -1.205 -0.394 4.930) 5.091 17.308 ( 2.260 -1.154 -0.104) 2.540 17.413 ( 1.912 2.574 -2.633) 4.149 17.683 ( -1.413 0.986 3.803) 4.175 17.860 ( -4.307 -4.955 -2.277) 6.949 18.742 ( -1.694 1.531 -0.005) 2.283 18.915 ( -3.291 2.332 1.073) 4.174 19.124 ( 0.545 -3.578 -0.142) 3.622 21.157 ( 3.172 3.179 -1.148) 4.636 21.188 ( 0.901 0.810 -0.331) 1.256 21.532 ( -0.067 -1.098 1.569) 1.916 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -29.667 -3.765 10.790) 31.792 2.475 ( -40.026 2.009 5.031) 40.391 3.165 ( -20.053 -4.632 -13.767) 24.761 3.844 ( 16.516 6.171 -4.399) 18.172 4.484 ( 2.268 1.659 6.735) 7.298 4.584 ( -14.372 -2.687 -2.837) 14.894 5.006 ( 0.949 1.124 7.632) 7.773 5.225 ( 1.236 -2.021 -3.937) 4.595 5.655 ( -0.895 -4.232 -1.231) 4.498 5.756 ( 1.638 1.633 7.191) 7.554 5.921 ( -5.420 7.315 -3.300) 9.683 6.205 ( -0.619 -4.730 -4.844) 6.798 6.518 ( 8.045 2.159 1.225) 8.419 6.697 ( -4.223 -3.445 -3.261) 6.351 6.979 ( 3.220 3.816 -0.682) 5.039 7.295 ( 3.550 -2.258 -1.741) 4.553 7.352 ( 4.149 -0.601 -1.668) 4.512 7.540 ( 3.708 1.569 0.827) 4.111 7.758 ( 6.505 0.097 3.603) 7.437 7.958 ( 6.292 1.780 -0.579) 6.565 8.267 ( -1.409 -6.494 8.447) 10.748 8.375 ( -4.261 3.073 1.001) 5.348 8.579 ( 3.559 -0.061 -1.775) 3.977 8.944 ( 3.754 -0.354 2.312) 4.423 9.000 ( 0.541 -0.440 -0.400) 0.804 9.141 ( -3.035 1.529 -5.910) 6.818 9.231 ( 5.123 0.818 2.695) 5.846 9.279 ( 1.907 0.419 -5.089) 5.450 9.635 ( 1.496 -1.818 -0.300) 2.373 10.019 ( 3.852 -0.280 4.046) 5.594 10.234 ( 4.198 2.322 -2.204) 5.279 10.385 ( -1.338 -1.317 1.313) 2.291 10.409 ( 2.021 0.272 -1.541) 2.556 10.569 ( -2.004 0.834 -0.260) 2.187 11.620 ( -11.030 -0.599 -0.558) 11.060 11.911 ( -3.762 0.361 0.476) 3.809 12.361 ( -0.489 0.361 -0.842) 1.039 12.628 ( 8.659 0.254 2.030) 8.897 12.828 ( 5.240 -2.196 1.784) 5.955 12.999 ( -0.333 2.321 -0.100) 2.347 13.171 ( -2.038 -3.039 -4.797) 6.033 13.325 ( -0.064 1.241 5.357) 5.499 13.546 ( -4.447 3.813 -3.327) 6.737 13.581 ( 5.113 -4.348 0.017) 6.712 13.799 ( 0.372 2.806 6.115) 6.738 13.909 ( -4.230 -1.052 -5.950) 7.376 14.188 ( -4.764 -2.108 0.626) 5.247 14.745 ( -9.764 0.986 -0.274) 9.818 16.900 ( 2.090 1.137 -4.232) 4.855 17.016 ( -0.986 -0.376 3.444) 3.602 17.367 ( 2.785 1.407 2.395) 3.933 17.449 ( 2.445 0.591 -0.386) 2.544 17.650 ( -2.029 -4.160 -2.100) 5.083 17.792 ( -1.234 0.091 2.744) 3.010 18.739 ( -0.425 2.783 -1.172) 3.050 18.900 ( -2.149 0.549 1.628) 2.751 19.072 ( -2.111 -2.150 -1.404) 3.324 21.173 ( -1.557 1.517 -0.614) 2.259 21.242 ( 4.174 -0.123 0.035) 4.176 21.539 ( 1.108 -1.077 -0.007) 1.545 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -27.308 -6.690 15.608) 32.157 1.694 ( -40.548 -5.674 -23.129) 47.024 2.816 ( -37.907 19.679 20.869) 47.536 4.043 ( 8.711 0.668 -8.200) 11.982 4.320 ( 5.753 -11.092 -5.750) 13.755 4.584 ( -4.894 3.649 3.866) 7.225 5.156 ( -1.077 -0.719 3.067) 3.329 5.171 ( 3.564 1.730 4.001) 5.631 5.560 ( -1.233 -5.096 -1.313) 5.405 5.869 ( -3.225 2.653 -6.367) 7.614 5.929 ( 1.457 4.088 10.371) 11.243 6.135 ( -2.190 4.981 -0.285) 5.449 6.657 ( 5.846 -4.710 1.515) 7.659 6.721 ( 12.399 1.977 0.670) 12.574 7.036 ( 4.499 -2.062 -4.004) 6.366 7.283 ( 6.153 -7.581 -4.880) 10.915 7.392 ( 2.873 0.814 -2.010) 3.600 7.643 ( 2.780 5.080 3.269) 6.650 7.821 ( 3.239 -7.126 -1.377) 7.947 8.068 ( 4.351 4.579 -1.643) 6.527 8.236 ( -3.321 -4.813 4.072) 7.126 8.315 ( -9.376 4.571 2.502) 10.727 8.601 ( -0.986 2.252 0.091) 2.460 8.904 ( -7.602 -0.203 -1.009) 7.671 8.978 ( 4.010 -2.144 -6.465) 7.904 9.159 ( 2.013 2.524 0.489) 3.266 9.280 ( 3.691 -2.275 0.396) 4.354 9.355 ( 4.818 0.360 0.984) 4.930 9.674 ( 5.513 -1.160 -0.349) 5.645 10.088 ( 2.795 -1.710 -0.199) 3.282 10.289 ( 2.008 4.332 -3.008) 5.643 10.329 ( -1.951 -2.612 0.250) 3.270 10.414 ( -2.041 1.113 -1.940) 3.028 10.545 ( -1.452 1.053 -0.564) 1.881 11.470 ( -8.429 1.216 2.513) 8.879 11.832 ( -5.412 -0.507 -0.047) 5.436 12.379 ( 0.990 2.834 1.226) 3.243 12.776 ( 9.261 -3.721 1.542) 10.099 12.909 ( 5.013 -3.614 0.426) 6.195 12.986 ( -1.435 1.372 -4.592) 5.003 13.093 ( -0.818 0.484 -1.267) 1.583 13.338 ( -3.117 -0.418 0.313) 3.161 13.453 ( -3.708 0.003 0.001) 3.708 13.688 ( 5.767 1.367 3.446) 6.856 13.744 ( -3.319 -0.778 -7.624) 8.351 13.957 ( 2.013 3.158 9.169) 9.904 14.092 ( -4.581 -1.213 -0.393) 4.755 14.581 ( -10.338 0.246 0.223) 10.343 16.908 ( 1.078 0.922 -1.165) 1.835 17.025 ( -0.345 0.748 0.800) 1.149 17.409 ( -1.709 1.599 -1.543) 2.804 17.485 ( 1.537 -0.769 1.289) 2.148 17.578 ( 1.288 -2.459 -3.002) 4.088 17.828 ( -0.056 -0.855 7.528) 7.577 18.759 ( 1.368 2.034 -1.172) 2.718 18.868 ( -1.436 -3.641 0.782) 3.991 19.033 ( -2.612 3.448 0.913) 4.421 21.142 ( -2.876 1.271 -1.113) 3.335 21.298 ( 3.922 -0.988 -1.623) 4.358 21.531 ( 0.636 -1.314 -3.304) 3.612 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.207 24.586 20.466) 31.990 1.714 ( -6.195 14.768 22.895) 27.941 3.668 ( -13.208 16.176 18.658) 28.004 3.911 ( 14.401 2.149 -9.306) 17.280 4.347 ( 1.327 -1.257 3.971) 4.371 4.486 ( -1.567 1.633 4.371) 4.922 5.040 ( -5.384 -4.110 4.592) 8.183 5.346 ( 2.771 3.603 -4.508) 6.402 5.651 ( -0.010 -6.266 6.840) 9.276 5.764 ( -2.315 0.253 1.222) 2.630 5.986 ( -10.763 -4.509 6.452) 13.334 6.421 ( 4.203 -4.651 1.264) 6.395 6.657 ( -0.132 4.128 -3.192) 5.220 6.687 ( 8.006 -6.829 3.037) 10.952 7.009 ( 14.044 -4.673 -1.549) 14.882 7.195 ( 10.445 -0.176 -4.463) 11.359 7.474 ( 5.467 6.073 -1.377) 8.286 7.546 ( 0.086 -3.605 -6.364) 7.315 7.764 ( -3.679 -1.924 2.030) 4.621 8.030 ( -1.316 -4.171 -0.158) 4.376 8.076 ( -10.655 -6.138 -6.819) 14.060 8.291 ( -8.475 5.285 0.567) 10.004 8.430 ( -6.632 0.602 -8.726) 10.977 8.752 ( -2.705 6.517 -6.602) 9.663 9.017 ( 6.244 -2.929 2.186) 7.235 9.204 ( 4.055 -2.097 -3.117) 5.527 9.273 ( -0.937 2.795 -0.287) 2.962 9.439 ( 0.974 1.138 0.426) 1.558 9.747 ( -2.903 0.576 2.722) 4.021 9.857 ( 1.957 -5.056 -5.877) 7.996 10.216 ( -3.017 -1.124 -4.289) 5.363 10.355 ( -3.465 1.287 0.208) 3.702 10.422 ( 1.641 4.423 -2.362) 5.276 10.533 ( -1.115 -0.772 0.342) 1.399 11.604 ( -3.480 4.697 6.793) 8.962 11.870 ( 3.162 1.971 3.991) 5.460 12.468 ( -1.303 -3.389 1.967) 4.129 12.623 ( 2.631 -6.660 -4.663) 8.545 12.743 ( 1.240 -2.302 -1.960) 3.268 12.968 ( 0.230 1.430 -0.872) 1.691 13.146 ( 1.687 2.099 -2.025) 3.369 13.345 ( -1.266 1.842 0.912) 2.414 13.394 ( -2.136 2.837 -3.915) 5.286 13.659 ( -2.051 4.723 2.035) 5.537 13.798 ( 1.180 -6.337 2.371) 6.868 14.100 ( -2.759 -3.518 1.960) 4.882 14.137 ( 3.190 2.227 4.318) 5.812 14.729 ( 1.877 6.290 7.342) 9.848 16.924 ( -0.575 -1.708 -1.073) 2.098 17.075 ( -1.667 0.026 2.188) 2.750 17.219 ( -4.432 2.089 -4.772) 6.840 17.510 ( -0.780 -2.188 -2.233) 3.222 17.542 ( 3.909 3.135 -1.437) 5.213 17.911 ( 1.776 -5.903 5.342) 8.157 18.805 ( 3.238 -0.890 2.901) 4.438 18.861 ( 1.663 1.009 2.001) 2.790 19.137 ( -3.287 -0.615 2.023) 3.909 21.091 ( -5.310 6.020 -5.085) 9.502 21.208 ( 0.036 3.421 -4.716) 5.826 21.478 ( 1.539 -1.230 1.334) 2.379 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -5.370 25.032 16.828) 30.637 2.256 ( 12.793 18.575 35.175) 41.784 3.832 ( -3.538 14.143 4.455) 15.244 4.157 ( 0.260 0.087 -8.926) 8.931 4.168 ( 7.556 2.808 5.597) 9.814 4.683 ( 4.453 2.608 13.610) 14.555 4.920 ( -9.980 -4.830 6.425) 12.815 5.373 ( 2.927 1.035 -6.372) 7.088 5.501 ( -6.998 -4.881 -4.017) 9.430 5.841 ( 1.876 1.685 -1.786) 3.090 5.886 ( -4.795 -5.902 20.133) 21.521 6.389 ( -2.580 -5.088 1.052) 5.801 6.704 ( 1.704 3.299 -1.705) 4.085 6.761 ( 8.683 -9.230 0.398) 12.679 7.151 ( 5.117 -1.244 4.710) 7.065 7.310 ( 4.619 2.491 -2.200) 5.690 7.477 ( 5.286 -4.360 -8.801) 11.154 7.597 ( -0.891 -2.356 4.219) 4.914 7.712 ( -2.700 2.688 -0.145) 3.813 7.778 ( -1.255 -9.419 -13.448) 16.466 7.997 ( 1.675 0.109 -1.354) 2.157 8.148 ( -8.761 6.503 -3.142) 11.354 8.359 ( -3.155 1.106 -0.328) 3.359 8.678 ( -4.120 5.637 -11.890) 13.788 9.039 ( 5.092 -9.541 -1.774) 10.960 9.181 ( -2.516 0.070 -4.953) 5.556 9.325 ( 1.729 5.825 1.301) 6.214 9.463 ( 1.462 0.210 0.659) 1.617 9.716 ( -3.763 -1.373 2.106) 4.526 9.804 ( 2.177 -3.091 -4.124) 5.594 10.092 ( -5.213 -0.084 -6.250) 8.139 10.325 ( -1.250 -2.040 0.452) 2.435 10.434 ( -1.919 3.478 -2.545) 4.717 10.528 ( 0.644 0.896 0.873) 1.407 11.669 ( -2.050 5.991 6.740) 9.248 12.001 ( 4.495 3.141 4.743) 7.250 12.406 ( -2.569 -5.353 1.858) 6.221 12.568 ( 1.946 -6.445 -2.584) 7.211 12.724 ( 1.406 -0.618 -4.462) 4.719 12.961 ( -0.800 0.273 -1.438) 1.668 13.180 ( 1.254 1.441 -0.104) 1.913 13.313 ( -2.677 0.242 1.109) 2.908 13.427 ( 3.561 6.564 -4.570) 8.755 13.654 ( -4.415 0.279 2.193) 4.937 13.810 ( 1.087 -0.916 2.795) 3.136 14.052 ( 1.064 -4.500 1.699) 4.926 14.247 ( 1.824 0.933 6.063) 6.400 14.875 ( 0.754 6.682 6.679) 9.478 16.843 ( -3.391 -4.899 -3.755) 7.043 17.008 ( -4.843 1.084 2.516) 5.564 17.241 ( 3.723 3.830 -2.508) 5.900 17.440 ( -2.095 -2.039 -3.342) 4.440 17.629 ( 2.977 4.110 -0.576) 5.108 17.954 ( 5.135 -7.354 6.008) 10.795 18.852 ( 1.051 -1.721 2.430) 3.158 18.931 ( 1.845 1.376 3.274) 4.002 19.089 ( -3.009 -0.682 1.341) 3.364 21.026 ( -4.791 8.942 -5.934) 11.752 21.204 ( -0.294 3.133 -3.471) 4.685 21.508 ( 1.765 -1.201 1.723) 2.744 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.070 29.281 20.000) 35.459 2.909 ( 15.227 12.278 29.426) 35.334 3.768 ( -1.662 -11.956 -15.972) 20.020 3.830 ( -18.615 4.627 -5.535) 19.964 4.670 ( 14.248 5.637 18.723) 24.194 4.816 ( 6.198 -0.710 -0.355) 6.248 4.841 ( -11.621 7.794 11.186) 17.914 5.264 ( -5.451 1.124 -10.172) 11.595 5.423 ( 6.148 -5.551 -2.341) 8.608 5.811 ( -4.936 0.782 7.358) 8.894 6.046 ( 5.138 -3.827 15.565) 16.832 6.306 ( -4.034 -1.723 0.703) 4.443 6.695 ( -1.502 1.867 -2.990) 3.832 6.820 ( 9.525 -9.547 -1.626) 13.584 7.150 ( -10.315 -4.729 2.442) 11.608 7.311 ( -3.425 -0.323 -3.907) 5.205 7.341 ( -7.179 -2.798 -2.528) 8.109 7.580 ( -0.507 -1.719 -2.581) 3.142 7.618 ( 8.009 2.596 -4.113) 9.370 7.805 ( 0.716 -1.110 0.217) 1.339 8.069 ( 6.763 -0.706 -2.960) 7.416 8.162 ( 4.333 7.522 -1.849) 8.875 8.319 ( -1.570 -0.214 1.989) 2.543 8.542 ( -2.483 3.585 -12.606) 13.339 8.982 ( 3.242 -9.083 -6.158) 11.442 9.097 ( -0.707 -2.667 -4.923) 5.643 9.398 ( -3.423 5.282 4.808) 7.920 9.511 ( 1.831 0.492 2.619) 3.233 9.636 ( -2.716 -0.665 -0.923) 2.944 9.805 ( 3.285 -3.043 -4.212) 6.148 9.983 ( -2.366 1.406 -2.951) 4.035 10.266 ( -1.676 -3.549 -1.934) 4.376 10.423 ( -1.469 3.530 -0.379) 3.842 10.565 ( 1.521 0.985 0.439) 1.865 11.759 ( -0.728 6.262 5.783) 8.555 12.111 ( 1.797 1.319 2.167) 3.109 12.347 ( -1.228 -3.466 1.570) 3.998 12.516 ( 0.538 -5.212 -1.675) 5.501 12.716 ( 1.780 0.463 -2.770) 3.325 12.922 ( -1.101 -1.363 -2.091) 2.728 13.205 ( -0.222 1.240 2.128) 2.473 13.312 ( 1.031 1.304 -1.692) 2.372 13.505 ( 3.038 4.796 -2.852) 6.353 13.581 ( -4.838 -1.484 1.126) 5.185 13.835 ( -0.935 0.624 2.296) 2.557 14.076 ( 3.083 -3.697 3.125) 5.739 14.314 ( -0.070 0.718 4.365) 4.424 14.981 ( -0.853 5.448 4.923) 7.392 16.725 ( -0.697 -3.860 -3.943) 5.561 17.003 ( -1.910 0.840 5.170) 5.575 17.292 ( 2.967 2.145 -7.256) 8.128 17.375 ( -1.446 -0.203 -0.260) 1.483 17.684 ( -0.036 3.365 0.616) 3.421 18.016 ( 4.302 -7.678 3.987) 9.662 18.847 ( -2.238 -1.340 2.601) 3.684 18.991 ( 2.210 0.481 1.751) 2.860 19.064 ( -2.117 0.908 1.138) 2.569 21.010 ( -1.359 7.552 -3.856) 8.588 21.194 ( -0.506 2.133 -2.498) 3.323 21.533 ( 0.971 -1.275 1.355) 2.099 ======================= Grid point 29 (23/90) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -0.912 27.838 20.962) 34.860 3.298 ( 0.755 -15.496 -4.186) 16.069 3.408 ( -5.581 2.720 -7.839) 9.999 3.725 ( 3.579 2.549 11.459) 12.272 4.566 ( -25.352 -1.336 -5.592) 25.996 4.888 ( 0.975 5.281 6.519) 8.446 4.935 ( 1.824 1.844 -3.255) 4.162 5.253 ( 2.547 -6.858 3.417) 8.074 5.528 ( 11.843 -0.330 0.894) 11.881 5.899 ( 5.247 6.815 5.829) 10.390 6.150 ( -2.643 -3.588 8.294) 9.415 6.241 ( -6.034 -1.234 1.774) 6.409 6.675 ( -1.770 0.722 -3.374) 3.878 6.783 ( -2.346 -4.229 -5.053) 6.994 6.993 ( 0.549 -1.146 5.121) 5.277 7.173 ( -10.034 3.375 -2.818) 10.955 7.248 ( 1.194 -5.843 -2.219) 6.363 7.565 ( -4.214 2.204 3.333) 5.807 7.707 ( 4.110 -5.342 -6.741) 9.532 7.782 ( -2.499 5.295 0.270) 5.862 8.102 ( 3.617 -0.175 -1.304) 3.849 8.227 ( 2.906 -1.049 -2.703) 4.105 8.390 ( 4.674 1.072 3.409) 5.883 8.546 ( 8.545 4.906 -7.184) 12.194 8.899 ( 4.169 -7.576 -8.277) 11.970 9.037 ( 0.823 -2.291 -1.579) 2.901 9.377 ( -8.160 2.241 5.178) 9.920 9.526 ( -2.818 1.474 1.417) 3.481 9.697 ( 7.074 1.692 1.106) 7.357 9.730 ( -1.392 -4.805 -4.205) 6.535 10.014 ( 3.843 0.776 0.872) 4.016 10.215 ( 0.497 0.937 -2.482) 2.699 10.434 ( -0.444 1.404 0.592) 1.587 10.592 ( 1.035 0.190 -0.225) 1.076 11.854 ( 0.315 4.404 5.040) 6.700 12.099 ( -3.157 -1.633 -1.681) 3.932 12.337 ( 0.761 -0.385 0.807) 1.174 12.469 ( -0.467 -2.397 -0.766) 2.560 12.717 ( 0.404 -1.074 -1.689) 2.042 12.907 ( 2.242 -0.265 0.013) 2.257 13.240 ( 0.474 0.839 2.813) 2.974 13.318 ( 1.058 0.580 -3.373) 3.582 13.481 ( -4.322 -1.421 1.707) 4.859 13.592 ( 3.132 4.345 -2.622) 5.964 13.825 ( -3.020 0.215 1.879) 3.563 14.106 ( 1.767 -4.224 1.638) 4.863 14.331 ( -2.038 0.877 1.791) 2.851 15.025 ( -2.943 3.176 2.706) 5.107 16.699 ( 4.045 -1.370 -2.716) 5.061 17.040 ( -1.185 0.703 6.787) 6.925 17.252 ( 1.299 -1.283 -7.085) 7.317 17.384 ( 0.308 2.553 -1.081) 2.789 17.713 ( -0.587 1.865 1.934) 2.750 17.986 ( -1.855 -6.617 -0.118) 6.873 18.821 ( -2.781 0.485 1.796) 3.346 19.030 ( -1.225 1.976 -0.608) 2.403 19.055 ( 1.083 -1.441 2.196) 2.841 21.048 ( 1.957 4.071 -1.223) 4.680 21.189 ( -0.169 1.923 -1.504) 2.448 21.537 ( 0.014 -1.689 0.933) 1.930 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -19.880 -8.129 2.702) 21.647 3.229 ( 6.236 5.182 -2.211) 8.404 3.347 ( 5.094 4.843 -4.236) 8.206 3.732 ( -26.763 -9.076 -4.911) 28.684 4.290 ( 3.162 4.971 9.685) 11.336 4.967 ( -0.713 8.423 1.503) 8.586 4.995 ( 6.332 -2.042 -1.948) 6.933 5.162 ( -6.030 -6.924 0.641) 9.204 5.682 ( 4.996 -1.785 3.618) 6.421 5.988 ( -11.364 -1.980 -3.962) 12.197 6.084 ( -5.574 9.092 1.434) 10.760 6.165 ( 1.653 -0.540 -0.214) 1.752 6.502 ( -6.805 -4.398 -4.349) 9.196 6.804 ( 1.602 1.449 -0.679) 2.264 7.014 ( -4.779 3.230 -0.253) 5.774 7.140 ( 4.535 -6.005 -0.954) 7.585 7.277 ( 3.516 4.080 8.357) 9.942 7.446 ( -5.275 -0.755 -3.335) 6.286 7.722 ( 0.886 0.866 -4.180) 4.360 7.750 ( 1.124 0.453 2.676) 2.937 8.231 ( 7.514 -1.078 -1.119) 7.673 8.249 ( 4.056 -1.597 7.353) 8.548 8.482 ( 3.950 3.580 -4.487) 6.968 8.698 ( 10.978 -1.952 2.639) 11.458 8.836 ( 4.394 -4.889 -8.387) 10.656 9.078 ( 3.726 2.249 2.056) 4.813 9.312 ( -6.521 2.224 3.008) 7.517 9.438 ( -7.234 -1.779 -3.869) 8.394 9.659 ( -1.688 -1.502 1.396) 2.656 9.845 ( 7.376 0.162 2.298) 7.727 10.088 ( 4.517 -0.061 0.813) 4.590 10.272 ( 4.363 4.961 -1.138) 6.704 10.435 ( -0.980 -0.524 0.819) 1.380 10.597 ( 0.364 -0.667 -0.848) 1.139 11.913 ( -3.093 1.357 3.830) 5.107 11.979 ( -4.217 -2.579 -4.020) 6.371 12.368 ( 1.370 1.256 0.413) 1.904 12.453 ( 1.045 0.094 -0.295) 1.089 12.703 ( 1.765 -1.854 -0.594) 2.628 12.962 ( 2.801 0.748 0.735) 2.991 13.246 ( -1.150 -2.754 -1.887) 3.531 13.316 ( -0.105 2.562 1.770) 3.116 13.454 ( 0.988 -2.101 1.817) 2.948 13.638 ( 0.340 3.665 -4.063) 5.482 13.804 ( -2.040 1.595 4.024) 4.785 14.057 ( -2.760 -4.299 -2.548) 5.709 14.304 ( -2.761 -0.183 0.279) 2.781 14.991 ( -5.415 0.791 0.464) 5.492 16.767 ( 5.784 1.696 -1.681) 6.257 17.080 ( -2.351 0.517 6.179) 6.631 17.227 ( 4.162 -2.175 -2.843) 5.490 17.400 ( 0.688 2.923 -2.220) 3.734 17.719 ( -1.344 -2.959 1.528) 3.591 17.872 ( -4.132 -2.324 -1.640) 5.016 18.798 ( -2.703 2.159 0.065) 3.460 18.999 ( -3.508 1.639 -0.073) 3.872 19.079 ( 1.565 -2.009 0.422) 2.581 21.114 ( 3.619 0.742 0.574) 3.738 21.197 ( -0.039 1.909 -0.581) 1.996 21.523 ( -0.141 -1.956 0.176) 1.969 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -19.400 -14.654 2.310) 24.422 2.861 ( -25.176 -21.265 -29.477) 44.214 3.351 ( -11.320 13.994 8.073) 19.727 3.634 ( 13.112 7.428 2.967) 15.359 4.503 ( 4.658 0.368 6.380) 7.908 4.784 ( -16.915 -7.450 -7.392) 19.906 5.114 ( 2.730 -0.828 -1.228) 3.106 5.139 ( 2.107 7.567 10.708) 13.280 5.682 ( -4.530 -1.227 -2.831) 5.480 5.841 ( -2.849 3.293 5.752) 7.214 6.022 ( -6.324 5.431 -6.244) 10.415 6.177 ( -1.129 5.412 -4.728) 7.274 6.437 ( 4.293 -2.512 1.674) 5.249 6.715 ( -6.386 -3.715 -3.667) 8.248 6.984 ( -1.916 2.485 -1.344) 3.413 7.092 ( 4.265 -10.759 -3.466) 12.081 7.382 ( 0.398 5.562 -0.108) 5.577 7.560 ( 4.263 5.213 10.450) 12.431 7.667 ( 1.896 -6.136 -0.387) 6.434 7.879 ( 7.116 5.474 -0.633) 9.000 8.265 ( 2.715 -7.775 5.099) 9.686 8.409 ( 4.940 0.944 4.453) 6.717 8.524 ( 3.058 4.570 -4.524) 7.121 8.792 ( 6.122 -3.673 -8.215) 10.883 8.910 ( 9.306 -0.060 6.655) 11.441 9.192 ( 2.821 0.734 1.268) 3.179 9.242 ( -7.347 -0.437 -2.494) 7.772 9.275 ( -3.973 1.045 2.373) 4.744 9.638 ( -1.907 0.047 1.401) 2.367 9.959 ( 5.567 -0.608 0.397) 5.614 10.176 ( 4.513 2.192 0.017) 5.017 10.375 ( 3.072 2.732 -0.791) 4.187 10.410 ( -1.509 -0.574 1.429) 2.156 10.578 ( -0.316 -1.129 -1.451) 1.865 11.781 ( -10.114 0.019 -1.414) 10.212 11.932 ( -0.445 -2.898 -1.075) 3.123 12.390 ( -1.079 2.922 0.666) 3.185 12.516 ( 6.083 -0.061 0.265) 6.089 12.736 ( 4.255 -1.319 0.187) 4.458 13.001 ( 1.061 0.738 -1.131) 1.718 13.165 ( -2.877 -2.097 -1.492) 3.860 13.367 ( 0.782 1.525 2.529) 3.055 13.469 ( 2.629 -6.812 1.469) 7.448 13.617 ( -1.819 6.412 -3.066) 7.337 13.859 ( -0.822 -0.365 2.225) 2.400 13.937 ( -3.035 1.203 -0.827) 3.368 14.239 ( -3.992 -1.761 -1.107) 4.501 14.880 ( -7.709 -1.181 -1.398) 7.923 16.850 ( 3.157 2.961 -1.468) 4.571 17.077 ( -2.913 -0.044 3.137) 4.281 17.307 ( 7.718 -1.344 2.160) 8.126 17.428 ( 1.266 3.213 -1.334) 3.702 17.616 ( -3.625 -6.979 -2.200) 8.166 17.839 ( -1.018 1.217 2.089) 2.624 18.777 ( -2.081 2.774 -1.402) 3.741 18.943 ( -3.187 -2.064 -0.759) 3.872 19.086 ( -0.375 1.851 0.589) 1.978 21.177 ( 3.711 -1.095 0.852) 3.962 21.203 ( -0.839 1.036 -0.060) 1.334 21.504 ( 0.448 -1.751 -1.163) 2.149 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -21.087 -18.456 4.610) 28.400 2.016 ( -28.425 -3.752 -22.339) 36.347 3.460 ( -3.124 14.891 8.859) 17.607 3.895 ( 12.407 2.081 2.158) 12.764 4.242 ( -23.162 -7.308 -5.342) 24.869 4.649 ( 0.992 0.112 -0.564) 1.147 5.122 ( 2.783 -4.967 -1.071) 5.794 5.285 ( -3.642 4.483 11.739) 13.084 5.578 ( -4.047 0.170 -1.240) 4.236 5.883 ( -3.973 2.781 -6.707) 8.277 5.989 ( 2.721 5.053 7.908) 9.771 6.228 ( 2.447 9.437 -1.943) 9.941 6.523 ( 7.488 -4.015 -1.796) 8.684 6.614 ( -0.037 -0.863 2.525) 2.669 6.947 ( -0.248 -3.708 -4.116) 5.546 7.062 ( 6.023 -5.543 -3.898) 9.066 7.387 ( -1.944 0.017 -0.607) 2.037 7.628 ( 3.189 -2.899 -1.899) 4.710 7.747 ( 2.395 0.710 5.975) 6.476 8.033 ( 4.775 6.276 -0.993) 7.948 8.263 ( 0.011 -7.280 6.619) 9.839 8.450 ( -3.014 -1.021 1.908) 3.710 8.623 ( 4.261 9.818 -1.863) 10.863 8.795 ( 6.500 -2.029 -9.743) 11.887 8.977 ( -7.406 -6.989 -1.635) 10.313 9.122 ( 5.970 0.273 2.411) 6.444 9.256 ( -1.047 1.133 0.776) 1.727 9.326 ( 1.884 1.028 5.242) 5.664 9.645 ( 0.226 1.936 2.781) 3.396 10.003 ( 3.129 -2.250 -4.075) 5.609 10.257 ( 3.293 2.124 -0.851) 4.010 10.351 ( -2.237 -0.400 -0.108) 2.275 10.446 ( -0.487 2.765 -0.144) 2.811 10.549 ( -0.013 -1.381 -0.974) 1.690 11.638 ( -8.247 2.139 1.055) 8.585 11.869 ( -1.865 -3.133 -1.565) 3.967 12.417 ( -0.461 4.529 0.641) 4.597 12.610 ( 7.069 -4.178 0.224) 8.214 12.800 ( 4.762 -1.480 -0.761) 5.045 12.975 ( -1.630 -0.132 -3.777) 4.116 13.119 ( -1.190 0.382 0.439) 1.325 13.383 ( -2.191 -0.028 0.640) 2.283 13.444 ( 1.577 -3.625 -0.053) 3.954 13.690 ( 2.733 5.558 3.367) 7.050 13.742 ( -4.236 -1.998 -4.846) 6.739 14.035 ( 1.177 3.072 7.489) 8.180 14.140 ( -3.628 -0.791 -1.924) 4.182 14.718 ( -8.219 -1.803 -1.608) 8.566 16.898 ( 1.261 2.100 0.089) 2.451 17.052 ( -1.820 0.334 0.079) 1.852 17.435 ( 2.430 1.030 2.148) 3.403 17.466 ( 2.647 -0.140 0.447) 2.688 17.493 ( -1.057 -3.494 -3.326) 4.938 17.865 ( 0.389 -0.505 3.942) 3.993 18.757 ( -0.934 0.948 -1.725) 2.179 18.864 ( -1.926 -3.092 -0.600) 3.692 19.118 ( -1.144 4.629 1.917) 5.139 21.185 ( -2.008 0.339 -0.253) 2.052 21.222 ( 2.947 -1.165 -0.765) 3.260 21.483 ( 0.568 -1.263 -2.254) 2.646 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 7.303 24.483 12.191) 28.308 2.043 ( 5.048 9.535 20.172) 22.876 3.640 ( 7.906 -4.744 -5.345) 10.657 3.814 ( -2.922 -2.637 -4.524) 5.997 4.483 ( 11.549 5.192 13.377) 18.419 4.548 ( -7.194 4.233 -2.937) 8.848 5.059 ( 1.337 -0.483 1.763) 2.265 5.406 ( -4.453 -0.397 -2.499) 5.122 5.614 ( 2.842 -1.702 5.673) 6.569 5.852 ( -5.499 -4.574 3.744) 8.073 6.108 ( 0.798 -4.770 -0.788) 4.900 6.260 ( 2.220 -4.482 1.925) 5.359 6.480 ( 7.494 -7.382 -2.917) 10.916 6.664 ( 2.362 2.430 -1.961) 3.915 6.852 ( 1.938 7.796 0.859) 8.079 7.036 ( 3.877 -2.781 -0.901) 4.855 7.427 ( 4.791 3.464 -0.555) 5.938 7.539 ( -2.925 2.084 -1.106) 3.758 7.786 ( -1.251 -2.548 -2.343) 3.681 8.017 ( -3.426 -5.944 0.378) 6.871 8.186 ( -10.709 1.296 -5.701) 12.201 8.463 ( -2.560 2.369 -5.107) 6.185 8.499 ( -10.527 2.279 3.887) 11.451 8.734 ( 1.548 -3.763 0.027) 4.069 8.972 ( 0.669 2.811 1.031) 3.068 9.112 ( 3.747 0.560 -0.972) 3.911 9.287 ( -0.147 1.026 -2.817) 3.001 9.390 ( 2.148 -1.469 -3.643) 4.477 9.725 ( 1.320 -3.937 -5.942) 7.249 9.879 ( -3.920 2.052 6.547) 7.902 10.224 ( -2.877 -1.493 -1.309) 3.495 10.381 ( 1.427 -0.065 0.020) 1.429 10.446 ( -2.819 1.617 -1.820) 3.725 10.531 ( 0.644 -0.197 1.168) 1.348 11.732 ( 0.887 2.011 4.022) 4.583 11.839 ( 3.105 2.169 1.405) 4.040 12.491 ( 1.018 -3.885 -2.402) 4.679 12.505 ( -2.019 -0.839 1.120) 2.456 12.734 ( -2.710 -0.615 -0.533) 2.830 12.971 ( 1.041 0.893 1.312) 1.898 13.134 ( 0.812 1.366 -0.785) 1.772 13.383 ( -1.650 3.433 -0.971) 3.931 13.410 ( -0.234 0.270 -1.553) 1.593 13.715 ( -0.580 -0.651 1.095) 1.400 13.752 ( 1.665 -2.066 1.945) 3.290 14.094 ( -1.831 -2.847 -4.899) 5.954 14.151 ( 2.699 1.099 5.053) 5.833 14.772 ( 5.296 4.271 4.460) 8.135 16.907 ( -1.012 -2.442 -1.091) 2.860 17.082 ( 2.617 0.876 1.295) 3.049 17.319 ( -9.079 0.978 -1.681) 9.285 17.482 ( 0.065 -2.845 -0.296) 2.862 17.502 ( 3.298 4.041 -1.857) 5.537 17.885 ( 0.276 -2.096 0.398) 2.151 18.775 ( 2.660 -0.495 2.458) 3.655 18.862 ( 1.866 1.864 1.613) 3.091 19.165 ( -1.200 -2.968 -0.332) 3.218 21.163 ( -2.909 2.029 -1.050) 3.699 21.205 ( 0.404 2.372 -2.133) 3.215 21.462 ( 0.645 -0.280 1.468) 1.628 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 1.733 23.651 10.742) 26.034 2.590 ( 6.995 19.836 34.103) 40.068 3.702 ( 2.614 -8.752 -12.005) 15.085 3.802 ( 23.134 -3.785 -3.713) 23.734 4.405 ( -11.417 5.395 -4.106) 13.279 4.778 ( 3.488 5.764 11.035) 12.930 5.076 ( -2.521 -5.212 6.444) 8.663 5.267 ( -1.131 -4.309 -8.139) 9.278 5.631 ( -5.840 0.995 5.887) 8.352 5.836 ( -0.417 4.023 3.370) 5.265 6.072 ( -2.996 -6.884 11.659) 13.867 6.317 ( 6.639 -4.126 0.520) 7.834 6.486 ( 8.599 -8.265 -5.946) 13.327 6.742 ( 1.696 2.996 1.592) 3.793 7.020 ( 10.341 5.766 -0.182) 11.842 7.089 ( 8.348 -1.531 -4.575) 9.642 7.411 ( -1.314 -2.970 -0.352) 3.267 7.593 ( -0.568 1.577 -1.603) 2.319 7.658 ( -2.524 -4.028 -8.793) 9.996 7.827 ( -5.566 -3.636 -0.726) 6.687 8.100 ( -8.300 3.968 6.635) 11.343 8.316 ( -9.711 2.932 -3.385) 10.694 8.436 ( -4.876 1.927 0.413) 5.260 8.707 ( -3.456 3.715 -6.695) 8.400 8.881 ( -1.028 -9.014 -2.494) 9.409 9.177 ( -2.648 0.018 -4.643) 5.345 9.311 ( 6.315 5.324 0.022) 8.259 9.393 ( 4.364 -2.539 -1.987) 5.426 9.703 ( 2.786 -1.498 -2.399) 3.970 9.845 ( -6.664 -0.253 3.360) 7.467 10.129 ( -4.923 -0.712 -3.276) 5.956 10.344 ( -3.631 -3.630 0.570) 5.165 10.441 ( 1.390 1.887 -2.081) 3.134 10.547 ( -0.511 1.415 1.472) 2.105 11.814 ( -1.116 5.539 5.798) 8.096 11.944 ( 6.761 0.917 0.678) 6.857 12.424 ( -3.045 -2.973 -0.667) 4.308 12.479 ( 1.014 -4.036 0.148) 4.164 12.692 ( -1.092 0.363 -1.683) 2.038 12.977 ( -1.509 -0.045 0.008) 1.509 13.173 ( 1.836 2.000 0.959) 2.879 13.366 ( -2.569 -0.643 -0.295) 2.665 13.412 ( 0.795 6.458 -3.490) 7.384 13.668 ( 0.079 -6.831 3.048) 7.481 13.846 ( 0.668 5.113 1.131) 5.279 14.000 ( 0.938 -4.228 -1.011) 4.448 14.260 ( 3.098 1.136 3.936) 5.136 14.929 ( 4.347 4.043 3.898) 7.102 16.832 ( -3.559 -4.453 -1.547) 5.907 17.124 ( -2.104 1.859 0.970) 2.970 17.195 ( -1.955 1.103 -2.910) 3.675 17.431 ( -1.634 -2.689 -0.701) 3.224 17.611 ( 4.395 6.134 0.051) 7.546 17.885 ( 2.057 -3.470 1.525) 4.313 18.822 ( 2.541 -2.039 1.942) 3.792 18.947 ( 2.385 2.780 2.848) 4.640 19.111 ( -1.337 -2.814 -0.437) 3.146 21.114 ( -3.953 3.477 -2.669) 5.903 21.211 ( -0.244 1.708 -1.554) 2.322 21.489 ( 1.185 0.033 1.407) 1.839 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 2.847 27.091 16.494) 31.844 3.090 ( 5.548 10.457 27.221) 29.683 3.448 ( -0.114 -20.663 -19.040) 28.098 3.992 ( -4.363 1.585 -13.522) 14.297 4.445 ( 21.639 3.253 5.630) 22.595 4.849 ( -3.751 -1.054 5.148) 6.456 5.032 ( -0.423 -0.421 2.542) 2.611 5.245 ( 4.900 -0.777 -4.942) 7.003 5.518 ( -16.317 2.802 2.825) 16.796 5.888 ( -2.415 3.130 3.507) 5.285 6.149 ( 2.571 -4.356 16.713) 17.462 6.333 ( 0.414 -0.108 -4.008) 4.031 6.545 ( 9.899 -4.915 -1.024) 11.099 6.758 ( -3.039 2.679 0.384) 4.069 7.106 ( 3.504 -4.857 -8.081) 10.058 7.185 ( 2.992 -4.258 -1.106) 5.320 7.363 ( 2.264 -5.010 -12.268) 13.443 7.482 ( 1.292 7.095 4.506) 8.503 7.645 ( 0.240 -2.296 3.912) 4.542 7.844 ( 5.793 2.754 -1.550) 6.599 8.038 ( -9.807 -0.542 7.260) 12.214 8.208 ( -3.420 3.026 -1.714) 4.877 8.394 ( -3.557 2.132 1.717) 4.488 8.558 ( -8.439 2.552 -8.377) 12.161 8.803 ( 2.338 -6.427 -3.195) 7.549 9.068 ( -3.104 -1.967 -4.039) 5.460 9.446 ( 5.834 -1.152 -0.144) 5.949 9.469 ( 4.157 5.805 1.964) 7.406 9.710 ( 1.338 -0.804 -3.406) 3.746 9.735 ( -7.409 -1.923 1.109) 7.735 10.027 ( -4.148 0.791 -1.807) 4.593 10.252 ( -2.831 -4.594 -0.031) 5.396 10.454 ( 0.241 1.246 -1.296) 1.814 10.567 ( -0.193 1.301 1.167) 1.759 11.880 ( -2.065 5.430 3.378) 6.720 12.053 ( 5.725 -0.916 -0.015) 5.797 12.356 ( -1.953 -2.327 0.566) 3.090 12.466 ( 0.852 -2.337 0.039) 2.488 12.684 ( 0.850 1.020 -0.765) 1.533 12.930 ( -2.806 -0.801 -1.316) 3.201 13.225 ( 0.802 1.580 1.695) 2.452 13.320 ( -1.836 -0.109 -0.880) 2.038 13.467 ( 3.237 4.451 -2.978) 6.257 13.626 ( -2.624 -5.048 3.014) 6.439 13.862 ( 0.627 0.468 -0.874) 1.173 14.039 ( 1.941 1.194 1.885) 2.957 14.332 ( 1.873 0.008 2.529) 3.147 15.038 ( 2.204 2.386 2.078) 3.856 16.709 ( -4.228 -3.173 -1.745) 5.567 17.107 ( -3.688 1.939 5.083) 6.572 17.186 ( 3.068 -0.151 -7.252) 7.876 17.393 ( -0.909 -1.222 1.165) 1.918 17.711 ( 1.270 4.535 -0.339) 4.722 17.924 ( 4.314 -2.966 2.464) 5.786 18.852 ( 1.704 -1.753 0.921) 2.612 19.005 ( -0.403 1.462 1.889) 2.422 19.080 ( 0.324 -0.932 -0.405) 1.067 21.066 ( -2.788 2.694 -1.956) 4.342 21.202 ( -0.575 0.387 -0.880) 1.120 21.518 ( 1.013 0.276 0.636) 1.228 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -0.000 0.000 0.000) 0.000 3.036 ( 0.000 -0.000 0.000) 0.000 3.411 ( -0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 5.141 ( -0.000 0.000 -0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.887 ( -0.000 0.000 0.000) 0.000 6.269 ( -0.000 0.000 -0.000) 0.000 6.292 ( 0.000 -0.000 0.000) 0.000 6.626 ( -0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.156 ( -0.000 0.000 0.000) 0.000 7.427 ( -0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.727 ( -0.000 0.000 0.000) 0.000 7.917 ( 0.000 -0.000 -0.000) 0.000 7.956 ( -0.000 0.000 0.000) 0.000 8.208 ( 0.000 0.000 0.000) 0.000 8.393 ( -0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 -0.000) 0.000 8.775 ( -0.000 0.000 0.000) 0.000 9.009 ( -0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.534 ( -0.000 -0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.695 ( -0.000 0.000 0.000) 0.000 9.994 ( -0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.577 ( -0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 12.094 ( -0.000 0.000 0.000) 0.000 12.334 ( 0.000 0.000 0.000) 0.000 12.463 ( -0.000 0.000 0.000) 0.000 12.705 ( -0.000 0.000 0.000) 0.000 12.886 ( 0.000 0.000 0.000) 0.000 13.251 ( -0.000 0.000 0.000) 0.000 13.296 ( -0.000 0.000 0.000) 0.000 13.529 ( -0.000 -0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 13.871 ( 0.000 -0.000 0.000) 0.000 14.069 ( -0.000 0.000 0.000) 0.000 14.360 ( -0.000 0.000 0.000) 0.000 15.075 ( -0.000 0.000 0.000) 0.000 16.649 ( -0.000 0.000 0.000) 0.000 17.119 ( -0.000 0.000 0.000) 0.000 17.167 ( 0.000 0.000 -0.000) 0.000 17.389 ( 0.000 0.000 0.000) 0.000 17.735 ( -0.000 0.000 0.000) 0.000 17.966 ( 0.000 0.000 0.000) 0.000 18.860 ( -0.000 0.000 0.000) 0.000 19.011 ( 0.000 0.000 0.000) 0.000 19.082 ( -0.000 0.000 0.000) 0.000 21.047 ( 0.000 0.000 0.000) 0.000 21.194 ( -0.000 0.000 0.000) 0.000 21.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 76 (31/90) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 -0.000 41.484) 41.484 1.094 ( 0.000 -0.000 41.484) 41.484 1.773 ( 0.000 -0.000 65.262) 65.262 4.137 ( -0.000 0.000 -4.948) 4.948 4.463 ( 0.000 0.000 -0.487) 0.487 4.463 ( 0.000 0.000 -0.487) 0.487 5.343 ( -0.000 0.000 -2.402) 2.402 5.343 ( -0.000 0.000 -2.402) 2.402 5.349 ( 0.000 -0.000 1.445) 1.445 5.740 ( 0.000 -0.000 8.158) 8.158 5.740 ( 0.000 -0.000 8.158) 8.158 6.172 ( 0.000 -0.000 8.271) 8.271 7.011 ( -0.000 0.000 -3.791) 3.791 7.011 ( -0.000 0.000 -3.791) 3.791 7.376 ( 0.000 -0.000 2.469) 2.469 7.376 ( 0.000 -0.000 2.469) 2.469 7.408 ( -0.000 0.000 -4.036) 4.036 7.642 ( -0.000 0.000 -3.701) 3.701 7.959 ( -0.000 0.000 -7.631) 7.631 7.959 ( -0.000 0.000 -7.631) 7.631 8.122 ( 0.000 -0.000 0.285) 0.285 8.151 ( -0.000 0.000 -3.253) 3.253 8.151 ( -0.000 0.000 -3.253) 3.253 8.358 ( 0.000 -0.000 2.528) 2.528 9.146 ( 0.000 -0.000 1.688) 1.688 9.146 ( 0.000 -0.000 1.688) 1.688 9.354 ( -0.000 0.000 -1.442) 1.442 9.354 ( -0.000 0.000 -1.442) 1.442 10.009 ( -0.000 0.000 -6.554) 6.554 10.009 ( -0.000 0.000 -6.554) 6.554 10.041 ( -0.000 0.000 -5.306) 5.306 10.297 ( -0.000 0.000 -4.817) 4.817 10.374 ( 0.000 -0.000 4.618) 4.618 10.374 ( 0.000 -0.000 4.618) 4.618 11.500 ( 0.000 -0.000 2.683) 2.683 11.738 ( 0.000 -0.000 9.759) 9.759 12.873 ( -0.000 0.000 -4.508) 4.508 12.873 ( -0.000 0.000 -4.508) 4.508 12.885 ( -0.000 0.000 -9.498) 9.498 13.166 ( -0.000 0.000 -0.921) 0.921 13.166 ( -0.000 0.000 -0.921) 0.921 13.178 ( -0.000 0.000 -0.317) 0.317 13.249 ( 0.000 -0.000 1.448) 1.448 13.249 ( 0.000 -0.000 1.448) 1.448 14.084 ( 0.000 -0.000 9.541) 9.541 14.084 ( 0.000 -0.000 9.541) 9.541 14.144 ( -0.000 0.000 -0.224) 0.224 14.457 ( 0.000 -0.000 4.836) 4.836 16.949 ( 0.000 -0.000 1.293) 1.293 17.017 ( -0.000 0.000 -1.571) 1.571 17.017 ( -0.000 0.000 -1.571) 1.571 17.562 ( -0.000 0.000 -2.348) 2.348 17.562 ( -0.000 0.000 -2.348) 2.348 18.877 ( 0.000 -0.000 1.678) 1.678 18.877 ( 0.000 -0.000 1.678) 1.678 18.960 ( 0.000 -0.000 3.462) 3.462 18.960 ( 0.000 -0.000 3.462) 3.462 19.729 ( -0.000 0.000 -0.689) 0.689 21.150 ( -0.000 0.000 -1.672) 1.672 21.523 ( 0.000 -0.000 3.597) 3.597 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -2.601 -16.953 41.419) 44.830 1.576 ( -6.859 18.061 42.749) 46.912 2.678 ( 30.677 11.091 47.574) 57.683 4.048 ( -3.837 -5.257 -4.640) 7.993 4.395 ( -1.360 4.098 -1.628) 4.615 4.556 ( 1.075 0.000 3.384) 3.551 5.136 ( -8.456 -3.238 -1.665) 9.207 5.367 ( 0.694 0.333 -3.163) 3.255 5.562 ( 7.704 5.929 2.560) 10.053 5.709 ( 4.577 -9.275 1.532) 10.455 5.978 ( 1.980 13.669 10.479) 17.337 6.261 ( 4.396 -3.752 7.468) 9.443 6.820 ( -7.922 -0.488 -6.111) 10.017 7.036 ( -4.425 -3.522 0.921) 5.730 7.307 ( -3.345 -8.148 -0.591) 8.828 7.345 ( 1.159 -2.067 -0.225) 2.381 7.394 ( -9.812 -1.742 -4.203) 10.816 7.626 ( 4.699 7.426 -1.788) 8.968 7.776 ( -3.380 -6.914 -9.927) 12.561 8.021 ( 2.846 5.300 -3.750) 7.089 8.084 ( 3.258 -3.873 -2.683) 5.728 8.112 ( 0.382 2.463 -4.407) 5.063 8.296 ( 5.914 12.493 -10.341) 17.262 8.420 ( 7.151 -0.002 0.166) 7.153 9.108 ( -2.258 -2.470 1.706) 3.756 9.203 ( 1.733 0.583 1.395) 2.300 9.328 ( -0.339 -1.712 -3.870) 4.245 9.373 ( 1.669 2.491 -0.579) 3.053 9.798 ( -6.878 -3.494 -3.293) 8.388 10.014 ( -3.609 3.833 -5.732) 7.783 10.074 ( 9.461 -1.803 -5.598) 11.140 10.248 ( 0.420 0.558 -6.096) 6.135 10.384 ( 0.221 -1.672 2.742) 3.219 10.468 ( 2.762 2.685 2.064) 4.370 11.525 ( 0.141 0.286 5.178) 5.187 11.847 ( 0.926 0.747 10.694) 10.760 12.653 ( -7.748 -8.326 -0.859) 11.406 12.777 ( -4.936 1.405 -5.601) 7.597 12.893 ( 3.239 -1.436 -2.525) 4.350 13.025 ( -10.895 5.839 -0.745) 12.384 13.120 ( -0.464 -4.512 -3.375) 5.654 13.203 ( 4.597 -3.845 -1.647) 6.215 13.310 ( 2.489 5.003 1.306) 5.739 13.427 ( 8.753 3.744 -1.726) 9.675 14.036 ( -7.651 -3.057 6.135) 10.273 14.149 ( -0.972 -1.819 8.002) 8.263 14.162 ( -1.412 0.554 3.905) 4.189 14.574 ( 5.009 1.265 8.941) 10.327 16.943 ( -0.329 -0.486 0.725) 0.933 17.025 ( 4.432 -4.830 -1.158) 6.657 17.070 ( 1.908 8.693 -3.784) 9.671 17.511 ( -0.309 -2.460 -3.263) 4.098 17.560 ( -0.274 1.426 -2.154) 2.598 18.420 ( -27.264 -9.296 12.649) 31.460 18.879 ( -1.649 -1.017 2.560) 3.210 18.890 ( -1.960 -1.421 3.306) 4.098 19.050 ( 4.512 -0.885 4.321) 6.310 20.398 ( 35.558 18.750 -17.481) 43.836 21.148 ( 0.983 0.692 -2.484) 2.759 21.544 ( -1.338 -0.511 4.099) 4.342 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 5.304 -6.851 35.903) 36.934 1.984 ( -6.609 16.058 38.193) 41.956 3.495 ( 22.128 3.654 17.851) 28.665 3.876 ( -6.292 -5.560 -0.930) 8.448 4.424 ( -2.029 8.539 -3.633) 9.499 4.520 ( -4.345 -10.135 11.359) 15.831 5.124 ( 4.449 6.324 3.939) 8.677 5.311 ( -3.049 -0.374 -1.756) 3.539 5.691 ( 2.158 -7.615 -0.969) 7.974 5.763 ( 6.687 4.774 6.456) 10.449 6.169 ( -3.411 7.826 10.573) 13.589 6.368 ( 6.827 -4.131 2.407) 8.335 6.675 ( -5.708 3.056 -5.423) 8.445 6.831 ( -12.414 -7.070 1.285) 14.343 7.074 ( -12.572 -16.441 -2.871) 20.895 7.177 ( -4.912 -5.723 -3.677) 8.390 7.353 ( 1.217 -1.660 -0.444) 2.105 7.560 ( -4.301 0.933 -8.153) 9.265 7.767 ( 3.410 3.204 -1.683) 4.973 8.054 ( -0.221 0.587 -6.329) 6.360 8.111 ( 2.775 8.359 -4.476) 9.880 8.176 ( 10.055 1.247 -0.098) 10.132 8.366 ( 2.213 11.908 -11.685) 16.830 8.557 ( 10.509 0.315 -2.865) 10.897 9.061 ( -3.076 -3.231 3.423) 5.623 9.210 ( -0.886 -0.926 -5.917) 6.054 9.249 ( -2.453 0.131 -0.530) 2.513 9.405 ( 0.901 -1.161 -1.338) 1.988 9.740 ( 2.378 0.162 2.028) 3.129 9.904 ( -5.322 0.487 -5.680) 7.799 10.176 ( 7.532 1.638 -4.092) 8.727 10.229 ( 3.594 -0.294 -4.702) 5.925 10.389 ( 0.333 -1.609 1.164) 2.013 10.533 ( 1.239 2.109 0.369) 2.473 11.613 ( 2.917 1.745 6.837) 7.635 11.926 ( -2.404 -0.385 8.041) 8.401 12.507 ( -2.901 -5.142 -0.004) 5.904 12.661 ( -4.163 -0.388 -5.778) 7.133 12.875 ( -3.903 0.518 -0.030) 3.937 12.939 ( -4.158 3.130 1.172) 5.334 13.080 ( 2.444 -1.933 -2.137) 3.778 13.234 ( 4.553 -0.769 -2.995) 5.504 13.392 ( 1.711 3.826 -0.724) 4.253 13.558 ( 6.988 0.404 -0.575) 7.023 13.944 ( -6.697 -1.598 4.291) 8.113 14.140 ( -1.832 -0.843 1.207) 2.350 14.207 ( -1.943 0.285 8.245) 8.475 14.719 ( 2.484 -0.817 8.778) 9.159 16.939 ( -0.040 -0.486 -0.455) 0.667 17.041 ( 3.342 -4.539 0.607) 5.669 17.158 ( 3.635 8.957 -4.479) 10.654 17.452 ( 0.525 -4.167 -3.357) 5.376 17.548 ( -1.286 2.515 -1.533) 3.214 18.142 ( -14.944 -1.619 6.591) 16.413 18.844 ( -2.666 -3.608 3.410) 5.635 18.885 ( -1.452 -0.619 2.607) 3.048 19.146 ( 3.235 0.257 3.404) 4.703 20.808 ( 19.627 8.539 -11.645) 24.367 21.146 ( 0.889 0.568 -2.309) 2.539 21.542 ( -2.697 -0.592 4.056) 4.906 ======================= Grid point 79 (34/90) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.429 -3.735 26.405) 26.671 2.283 ( -8.616 5.631 33.232) 34.789 3.665 ( -3.704 -2.930 -0.785) 4.787 3.815 ( 2.919 2.776 -0.357) 4.044 4.436 ( -1.611 -7.264 -4.556) 8.725 4.511 ( 2.879 0.241 9.770) 10.189 5.141 ( -7.172 -0.792 1.827) 7.444 5.403 ( 2.889 1.873 -0.305) 3.457 5.684 ( 0.865 0.356 6.418) 6.486 5.936 ( 3.146 2.284 6.313) 7.414 6.156 ( -6.754 -7.050 -0.340) 9.769 6.360 ( -3.098 -0.414 3.536) 4.719 6.547 ( -5.430 -2.056 -5.275) 7.844 6.635 ( -8.541 -8.637 -2.584) 12.419 6.829 ( 0.256 3.912 4.771) 6.175 7.039 ( -2.523 -5.534 -2.801) 6.696 7.367 ( 0.533 0.557 2.419) 2.539 7.502 ( 1.647 1.640 -4.293) 4.882 7.772 ( 0.203 -0.422 -6.103) 6.121 8.005 ( 3.332 -3.357 -5.453) 7.219 8.171 ( -0.377 12.006 -8.016) 14.441 8.342 ( 7.796 0.312 -4.550) 9.032 8.474 ( 8.436 9.377 1.045) 12.657 8.694 ( 8.642 0.640 -1.509) 8.796 9.011 ( -5.501 -2.575 6.087) 8.599 9.112 ( -2.399 -0.287 -3.752) 4.463 9.236 ( 0.309 1.476 -3.573) 3.878 9.361 ( -0.229 -2.285 -4.603) 5.144 9.751 ( -4.074 0.414 -5.413) 6.788 9.877 ( 4.484 1.189 4.310) 6.333 10.219 ( 1.444 1.994 -2.479) 3.494 10.301 ( 7.943 -2.549 -2.415) 8.684 10.401 ( 1.668 0.782 0.170) 1.851 10.551 ( -0.986 1.173 0.154) 1.540 11.744 ( 2.913 1.176 6.930) 7.609 11.894 ( -6.302 -1.800 3.885) 7.619 12.458 ( 1.347 -2.452 -0.597) 2.861 12.550 ( -3.437 -0.955 -3.761) 5.184 12.833 ( -5.431 5.397 2.565) 8.075 12.940 ( 2.314 -3.674 1.669) 4.651 13.106 ( 1.731 1.397 -0.264) 2.240 13.287 ( 4.658 2.387 -2.981) 6.024 13.409 ( -0.079 0.030 -1.981) 1.983 13.646 ( 5.274 -1.696 0.061) 5.540 13.868 ( -5.962 0.066 2.335) 6.404 14.093 ( -2.635 -1.755 -1.316) 3.428 14.236 ( -3.187 1.122 5.521) 6.473 14.781 ( -1.237 -2.878 7.264) 7.910 16.926 ( -0.009 0.002 -1.655) 1.655 17.053 ( 1.420 -3.455 1.291) 3.953 17.267 ( 5.275 7.205 -4.580) 10.036 17.404 ( 1.718 -4.078 -2.091) 4.894 17.545 ( -1.654 3.441 0.328) 3.832 17.986 ( -8.795 -0.443 1.361) 8.911 18.799 ( -2.165 -3.852 3.134) 5.417 18.874 ( -1.484 -1.057 2.102) 2.782 19.199 ( 0.210 0.424 1.092) 1.190 21.028 ( 11.539 4.023 -5.996) 13.612 21.152 ( 1.306 0.506 -1.092) 1.775 21.526 ( -3.058 -0.104 3.982) 5.022 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -13.397 -8.595 16.642) 23.028 2.317 ( -20.230 -9.991 27.961) 35.929 3.600 ( -2.819 6.037 -6.273) 9.151 3.993 ( 3.208 12.976 10.698) 17.120 4.130 ( -9.890 -25.554 -4.525) 27.773 4.624 ( 3.017 1.174 -1.250) 3.471 5.083 ( -0.808 -1.126 1.864) 2.323 5.283 ( -5.913 -1.426 -9.531) 11.307 5.633 ( -8.281 -4.712 3.930) 10.306 5.963 ( -5.101 -6.271 1.275) 8.184 6.011 ( -2.267 1.487 -6.049) 6.629 6.372 ( -1.788 -1.035 4.219) 4.697 6.463 ( 3.962 -0.488 2.157) 4.537 6.611 ( 1.498 6.752 -0.354) 6.925 6.888 ( 1.070 -3.358 2.150) 4.129 7.033 ( 4.179 3.838 3.064) 6.448 7.408 ( -0.236 2.818 1.683) 3.291 7.567 ( 6.148 2.032 1.108) 6.569 7.698 ( 0.374 -0.419 -7.897) 7.916 8.023 ( 7.700 -4.494 -2.760) 9.333 8.179 ( -3.076 9.633 -5.967) 11.741 8.386 ( 3.011 -0.957 -3.303) 4.571 8.718 ( 10.206 2.067 0.660) 10.434 8.815 ( 4.314 1.018 3.662) 5.750 8.930 ( -7.985 0.462 3.787) 8.849 9.091 ( 2.273 3.449 -3.643) 5.507 9.234 ( 1.953 -1.048 -1.580) 2.722 9.300 ( 0.021 0.011 -4.416) 4.416 9.662 ( -2.139 0.748 -2.790) 3.594 9.986 ( 3.479 1.379 2.003) 4.245 10.241 ( 2.849 -0.692 -1.477) 3.282 10.350 ( 1.324 1.026 -0.385) 1.718 10.457 ( 3.789 0.174 -1.123) 3.956 10.534 ( -1.930 0.045 0.686) 2.049 11.715 ( -8.993 -4.098 1.322) 9.970 11.877 ( -0.236 -0.487 5.654) 5.680 12.463 ( -1.389 -2.139 -2.944) 3.895 12.508 ( 4.693 2.628 -0.833) 5.443 12.849 ( -1.740 4.327 3.617) 5.902 12.966 ( 2.977 -3.273 2.126) 4.908 13.137 ( -0.533 2.828 0.010) 2.878 13.353 ( 1.978 0.193 -2.954) 3.560 13.389 ( 2.142 0.554 -0.340) 2.239 13.699 ( 3.249 -2.300 1.254) 4.174 13.792 ( -5.582 0.667 0.585) 5.652 14.007 ( -2.355 -2.548 -4.339) 5.556 14.211 ( -5.263 0.570 2.479) 5.846 14.755 ( -4.898 -4.466 5.693) 8.737 16.914 ( 0.471 0.261 -2.036) 2.107 17.042 ( -0.447 -1.693 -0.070) 1.752 17.336 ( 3.903 1.214 -5.863) 7.147 17.434 ( 4.684 -0.422 2.305) 5.237 17.566 ( -2.103 4.599 2.746) 5.754 17.869 ( -4.771 -1.191 -2.225) 5.397 18.766 ( -0.532 -3.483 2.256) 4.184 18.858 ( -1.384 -0.848 1.676) 2.333 19.175 ( -3.190 -0.126 -1.240) 3.425 21.144 ( 4.364 0.255 -2.373) 4.974 21.188 ( 3.337 2.068 -0.283) 3.936 21.523 ( -1.604 0.702 3.900) 4.276 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -23.404 -9.413 16.226) 29.994 1.978 ( -28.828 -18.390 17.128) 38.244 3.095 ( -39.673 -20.644 -10.800) 46.008 4.056 ( 14.327 -4.948 5.807) 16.232 4.262 ( 1.065 11.950 11.898) 16.897 4.600 ( -1.444 -1.901 -4.625) 5.205 5.080 ( 1.908 -2.624 -2.083) 3.855 5.162 ( -0.654 3.329 -5.920) 6.823 5.557 ( -2.623 1.564 3.229) 4.444 5.860 ( -0.021 -0.996 -6.705) 6.778 5.938 ( -1.895 -6.860 2.971) 7.712 6.250 ( -8.300 0.128 -5.838) 10.149 6.555 ( 5.287 0.508 1.483) 5.515 6.772 ( 5.029 9.392 3.149) 11.109 6.952 ( 7.886 -3.258 2.361) 8.853 7.197 ( 7.489 4.590 2.812) 9.223 7.435 ( -0.137 3.056 -0.596) 3.117 7.657 ( 2.283 -0.348 -4.177) 4.773 7.732 ( 5.860 4.791 3.914) 8.521 8.095 ( 6.675 -1.729 -2.037) 7.190 8.153 ( -3.556 3.942 -1.900) 5.638 8.349 ( -3.128 -3.531 -1.573) 4.973 8.657 ( -8.372 0.806 -9.888) 12.981 8.881 ( 1.295 -4.836 6.521) 8.221 9.006 ( 4.192 2.668 5.898) 7.713 9.174 ( 5.095 6.420 -3.677) 8.984 9.204 ( 0.496 -2.615 -3.386) 4.307 9.337 ( 4.071 1.010 1.828) 4.575 9.665 ( 2.105 3.225 -0.363) 3.868 10.045 ( 2.422 0.974 -1.055) 2.816 10.267 ( 2.943 -0.717 -1.968) 3.613 10.367 ( -1.156 2.241 0.240) 2.533 10.457 ( -2.167 -0.952 0.021) 2.366 10.527 ( 1.271 -1.207 -0.886) 1.964 11.526 ( -9.425 -4.942 0.617) 10.660 11.874 ( -4.135 -2.743 4.522) 6.714 12.394 ( -1.213 -1.142 -3.597) 3.964 12.642 ( 8.193 4.692 -1.790) 9.609 12.908 ( 1.183 2.600 2.964) 4.117 13.018 ( 3.452 -1.765 3.618) 5.303 13.125 ( -2.794 3.107 -3.325) 5.340 13.328 ( -0.627 -1.217 0.163) 1.379 13.445 ( 0.980 -0.708 1.203) 1.706 13.704 ( -1.619 1.061 -1.454) 2.421 13.767 ( 1.396 -0.827 4.062) 4.374 13.910 ( -0.986 -2.024 -6.127) 6.527 14.135 ( -5.707 -0.641 1.137) 5.855 14.649 ( -8.141 -5.670 4.812) 11.026 16.913 ( 1.203 -0.142 -1.335) 1.803 17.013 ( -0.633 0.037 -2.326) 2.411 17.351 ( 2.683 0.095 -3.701) 4.572 17.521 ( 2.380 -0.908 4.236) 4.943 17.605 ( -1.715 4.416 2.919) 5.565 17.778 ( -1.844 -1.325 -3.226) 3.945 18.762 ( 1.845 -2.710 1.072) 3.449 18.849 ( -1.351 0.403 1.883) 2.352 19.089 ( -4.611 -1.006 -1.989) 5.122 21.148 ( -0.402 -1.366 -1.042) 1.764 21.272 ( 4.169 2.521 -0.163) 4.874 21.553 ( 0.247 0.935 2.722) 2.888 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -29.447 -4.828 21.388) 36.714 1.363 ( -34.706 -18.283 -5.601) 39.625 2.202 ( -41.330 -31.667 23.671) 57.195 4.253 ( 9.954 -4.581 -4.425) 11.817 4.402 ( -3.469 3.502 8.824) 10.108 4.503 ( -4.117 2.583 -2.333) 5.391 5.064 ( 3.728 5.478 -8.043) 10.421 5.289 ( 10.512 -0.367 8.431) 13.480 5.577 ( -3.333 3.787 3.268) 6.012 5.708 ( -5.671 -4.016 -10.494) 12.586 5.923 ( 0.186 0.361 0.922) 1.008 6.159 ( -0.562 -4.205 3.975) 5.814 6.682 ( 7.989 5.344 -2.298) 9.883 6.945 ( 4.352 6.086 4.065) 8.515 7.094 ( 9.671 1.689 -1.140) 9.883 7.374 ( 7.000 2.142 0.721) 7.356 7.462 ( 3.191 0.789 -0.877) 3.402 7.650 ( -0.629 1.022 -2.231) 2.533 7.900 ( 5.406 5.933 1.866) 8.241 8.084 ( -4.050 -4.632 -3.205) 6.938 8.122 ( -1.121 -4.517 -0.896) 4.740 8.225 ( -5.207 5.497 -2.066) 7.848 8.477 ( -3.106 -2.063 -8.205) 9.013 8.848 ( -6.828 -3.428 2.055) 7.912 9.096 ( 1.076 1.987 2.129) 3.104 9.170 ( 1.221 -5.886 0.077) 6.012 9.282 ( 5.580 4.029 -2.359) 7.276 9.420 ( 2.479 1.609 -0.116) 2.958 9.771 ( 5.925 4.861 -0.419) 7.676 10.069 ( 1.770 1.724 -3.903) 4.619 10.278 ( 1.597 -0.195 -3.760) 4.090 10.335 ( -3.711 0.492 -1.821) 4.163 10.417 ( -1.033 -3.774 2.027) 4.406 10.507 ( -0.532 -1.371 -3.328) 3.638 11.378 ( -5.976 -2.802 4.561) 8.023 11.788 ( -6.503 -3.756 3.611) 8.333 12.367 ( 1.655 0.473 -0.573) 1.815 12.790 ( 7.065 4.899 -3.339) 9.223 12.974 ( 2.795 2.126 -0.643) 3.570 13.041 ( -4.376 1.815 -2.248) 5.244 13.111 ( 4.189 -0.836 0.886) 4.362 13.317 ( -2.764 2.355 1.423) 3.900 13.390 ( -4.547 -7.021 2.779) 8.815 13.699 ( -0.270 1.349 -6.865) 7.002 13.795 ( 3.264 0.456 -3.773) 5.010 13.918 ( 2.835 2.068 8.335) 9.043 14.063 ( -3.317 -1.891 2.813) 4.742 14.495 ( -9.433 -6.544 6.318) 13.105 16.922 ( 1.127 -0.702 -0.355) 1.375 16.992 ( 0.917 0.772 -3.384) 3.590 17.340 ( -0.726 -0.057 -4.818) 4.873 17.554 ( 0.603 -1.376 0.490) 1.580 17.625 ( -0.916 0.794 0.524) 1.320 17.770 ( -0.419 3.359 7.946) 8.637 18.793 ( 3.664 -1.792 0.543) 4.114 18.857 ( -1.544 2.243 2.522) 3.712 18.996 ( -3.119 -2.376 -0.811) 4.004 21.097 ( -2.263 -2.138 -2.580) 4.043 21.349 ( 3.412 1.840 -2.273) 4.494 21.559 ( -1.238 -0.530 -3.351) 3.611 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -6.513 -13.352 41.315) 43.905 2.074 ( 12.395 15.103 39.009) 43.628 3.030 ( -5.979 20.836 40.874) 46.266 4.094 ( -4.476 0.748 2.096) 4.998 4.342 ( 7.417 -3.964 0.492) 8.424 4.606 ( -1.235 6.949 2.343) 7.436 5.110 ( 0.691 -12.940 -0.310) 12.962 5.361 ( -3.341 1.519 -5.202) 6.366 5.516 ( 3.295 4.085 0.907) 5.326 5.743 ( -6.880 -2.380 6.304) 9.630 6.033 ( 7.715 5.132 9.546) 13.304 6.355 ( -3.792 5.587 5.341) 8.609 6.741 ( 2.813 -11.468 -2.759) 12.126 7.085 ( -2.140 -0.088 0.573) 2.217 7.265 ( -1.602 -5.347 1.916) 5.902 7.359 ( 0.845 -3.451 -1.682) 3.931 7.500 ( -2.733 -3.395 -3.406) 5.531 7.530 ( 0.361 3.669 -3.451) 5.050 7.695 ( -0.316 3.032 -8.695) 9.214 7.956 ( 1.539 2.198 -5.380) 6.012 7.989 ( 0.652 -1.900 -6.861) 7.149 8.048 ( 1.432 -3.828 -7.448) 8.496 8.290 ( 3.659 13.427 -5.340) 14.906 8.395 ( -2.804 0.475 -0.405) 2.873 9.147 ( 0.564 -0.030 0.312) 0.645 9.199 ( -0.913 2.262 -0.749) 2.552 9.276 ( -0.604 -3.187 -4.156) 5.272 9.383 ( 0.481 4.345 0.536) 4.404 9.804 ( -0.709 -7.494 -4.376) 8.707 9.892 ( 2.133 -1.481 -1.275) 2.893 10.038 ( -2.279 1.249 -6.873) 7.348 10.215 ( -0.046 6.451 -6.711) 9.308 10.396 ( -1.468 -2.447 1.875) 3.414 10.485 ( 1.108 2.730 1.888) 3.500 11.567 ( 0.092 1.228 4.840) 4.994 11.957 ( 0.207 1.813 11.831) 11.971 12.614 ( -1.696 -9.826 -2.626) 10.311 12.765 ( 2.663 -1.854 -3.367) 4.676 12.814 ( -2.441 -5.333 -2.761) 6.483 12.984 ( 3.823 -3.773 -2.642) 5.986 13.143 ( 0.722 1.482 -1.147) 2.008 13.243 ( -3.808 3.955 -4.732) 7.248 13.335 ( 5.594 4.434 0.582) 7.162 13.377 ( -4.830 7.310 1.712) 8.928 14.054 ( 0.679 -10.040 4.918) 11.201 14.186 ( 1.392 -3.237 3.901) 5.257 14.259 ( -0.624 -0.311 9.225) 9.251 14.657 ( -1.071 7.898 8.225) 11.453 16.922 ( -1.989 -3.921 -2.754) 5.188 16.967 ( 0.653 -0.540 2.180) 2.339 17.101 ( 1.241 7.955 -2.579) 8.454 17.468 ( -1.410 -2.644 -3.475) 4.589 17.560 ( 0.924 3.171 -2.641) 4.229 18.517 ( 5.353 -26.790 9.018) 28.770 18.909 ( -0.229 -1.559 3.482) 3.822 18.971 ( 2.182 -1.568 3.680) 4.557 19.017 ( -5.488 0.497 4.004) 6.812 20.288 ( -1.288 38.377 -12.051) 40.245 21.132 ( 0.051 1.455 -2.260) 2.689 21.583 ( 0.237 -1.666 4.675) 4.969 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.829 -2.235 39.782) 39.854 2.617 ( -4.422 19.300 34.146) 39.472 3.434 ( 7.610 6.899 15.802) 18.847 3.958 ( -8.553 -5.020 -0.773) 9.948 4.487 ( -2.404 4.533 4.644) 6.921 4.671 ( -5.323 -2.226 13.791) 14.949 5.038 ( 10.974 -0.347 -0.953) 11.021 5.279 ( 1.657 -2.188 -9.406) 9.798 5.617 ( 2.143 -1.664 2.052) 3.402 5.756 ( 1.934 -1.234 12.738) 12.943 6.284 ( 6.692 0.719 5.856) 8.921 6.346 ( -3.011 1.237 3.726) 4.948 6.651 ( 0.279 -4.920 -4.287) 6.532 6.996 ( -11.090 -2.565 2.750) 11.710 7.135 ( -13.795 -10.448 1.905) 17.410 7.197 ( -7.853 -3.579 -4.589) 9.774 7.352 ( 1.102 -1.861 -0.172) 2.170 7.541 ( -0.125 0.658 -5.259) 5.302 7.716 ( 1.690 3.278 -8.517) 9.281 7.916 ( 5.163 -4.924 -5.448) 8.977 8.023 ( 5.890 7.191 -9.819) 13.521 8.097 ( 5.690 4.892 -1.904) 7.742 8.325 ( 2.630 9.551 -12.257) 15.760 8.429 ( 4.640 -1.022 1.976) 5.145 9.133 ( -1.517 -0.033 -0.730) 1.684 9.175 ( -2.804 0.344 -3.102) 4.195 9.233 ( 1.761 -1.364 -1.809) 2.870 9.418 ( -2.610 2.901 -0.330) 3.916 9.701 ( 2.237 -3.235 -0.686) 3.993 9.916 ( -3.863 -0.827 -7.701) 8.655 9.982 ( 8.911 -1.975 -0.610) 9.148 10.223 ( -1.415 6.265 -3.863) 7.494 10.371 ( 0.503 -2.505 0.742) 2.661 10.541 ( 1.320 2.230 0.750) 2.698 11.648 ( 2.020 2.984 5.738) 6.776 12.051 ( -2.567 0.927 9.097) 9.498 12.488 ( -2.181 -7.217 -0.095) 7.540 12.661 ( -3.876 -3.425 -4.691) 6.983 12.803 ( 4.475 -4.310 0.236) 6.217 12.979 ( 1.958 -3.016 -3.011) 4.690 13.151 ( -4.502 2.679 0.616) 5.275 13.188 ( -0.529 7.230 -2.650) 7.719 13.401 ( -0.950 3.884 -0.163) 4.002 13.461 ( 5.857 3.135 -1.276) 6.765 13.996 ( -1.561 -8.756 4.243) 9.855 14.191 ( -1.630 -1.454 2.587) 3.385 14.304 ( -1.734 -0.875 7.972) 8.206 14.792 ( 0.101 5.322 8.197) 9.774 16.865 ( 2.512 -4.507 -3.631) 6.310 17.000 ( 0.949 -1.219 4.271) 4.542 17.167 ( 1.510 8.521 -4.102) 9.577 17.392 ( -0.900 -3.102 -3.410) 4.697 17.577 ( -0.271 3.975 -1.730) 4.344 18.345 ( -8.833 -13.133 4.608) 16.485 18.887 ( -3.004 -4.334 4.671) 7.044 18.940 ( -3.156 1.447 1.743) 3.885 19.098 ( 5.100 -1.706 4.261) 6.861 20.590 ( 11.645 22.781 -9.479) 27.285 21.129 ( 0.293 1.601 -2.203) 2.739 21.599 ( -1.061 -2.030 4.513) 5.061 ======================= Grid point 87 (40/90) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -2.157 5.867 33.454) 34.033 2.868 ( -14.799 13.137 27.622) 33.979 3.688 ( -5.528 -7.166 -2.002) 9.270 3.771 ( 8.822 3.064 7.718) 12.115 4.389 ( -8.060 -7.180 -4.696) 11.772 4.629 ( -6.139 2.770 7.126) 9.805 5.157 ( 2.735 -6.164 -10.041) 12.095 5.370 ( 4.149 2.050 9.594) 10.652 5.674 ( 6.698 2.602 1.847) 7.420 5.919 ( 5.310 -4.569 13.476) 15.187 6.234 ( -7.488 -5.290 3.175) 9.702 6.360 ( -1.461 -4.100 -6.047) 7.451 6.585 ( -5.737 -4.509 -1.275) 7.407 6.754 ( -11.684 -3.706 3.029) 12.626 6.918 ( -3.010 1.468 4.332) 5.475 7.062 ( -8.017 -0.728 1.071) 8.121 7.366 ( 2.775 -2.397 -0.966) 3.792 7.516 ( -2.296 7.872 -0.668) 8.227 7.651 ( 2.645 -4.041 -12.113) 13.040 7.874 ( 1.720 -3.564 -8.410) 9.294 8.143 ( 8.618 6.733 -4.626) 11.874 8.179 ( 5.691 4.637 -7.617) 10.578 8.431 ( 5.537 6.666 -3.109) 9.206 8.544 ( 10.168 1.437 1.013) 10.319 9.082 ( -0.079 -1.235 -5.451) 5.590 9.128 ( -2.730 -0.929 3.695) 4.688 9.223 ( 0.058 -1.272 -1.904) 2.290 9.351 ( -5.782 3.414 -3.590) 7.615 9.753 ( -0.892 -0.032 -4.742) 4.826 9.821 ( 5.060 -0.478 -0.503) 5.108 10.118 ( 9.010 -1.292 1.075) 9.166 10.209 ( -0.611 1.230 -2.102) 2.511 10.386 ( 1.504 1.076 -0.334) 1.879 10.575 ( 0.175 1.534 0.080) 1.546 11.776 ( 3.041 3.177 6.529) 7.872 12.030 ( -7.111 -1.083 4.228) 8.344 12.419 ( -0.186 -4.183 0.610) 4.231 12.546 ( -2.540 -2.796 -3.184) 4.940 12.842 ( 4.309 -4.354 0.699) 6.166 12.948 ( -0.854 -1.082 0.033) 1.379 13.145 ( -2.145 5.549 1.867) 6.235 13.245 ( 2.308 6.211 -3.400) 7.447 13.395 ( -1.201 -0.057 -1.019) 1.576 13.558 ( 5.011 1.676 -1.069) 5.391 13.928 ( -2.253 -6.599 3.274) 7.703 14.142 ( -4.938 -0.401 -0.551) 4.985 14.329 ( -1.845 -1.142 5.898) 6.284 14.875 ( -2.604 1.996 7.239) 7.948 16.844 ( 3.806 -3.567 -4.522) 6.904 17.043 ( 0.358 -1.486 5.393) 5.606 17.235 ( 2.439 7.644 -4.753) 9.325 17.333 ( 0.720 -2.871 -2.521) 3.888 17.602 ( -0.441 4.774 0.044) 4.795 18.124 ( -9.876 -6.182 -0.173) 11.652 18.835 ( -3.195 -4.498 4.009) 6.820 18.920 ( -2.787 0.739 1.804) 3.401 19.178 ( 3.135 -2.189 2.236) 4.429 20.862 ( 10.724 12.040 -5.385) 16.999 21.135 ( 0.789 1.570 -1.460) 2.284 21.593 ( -1.906 -1.896 3.879) 4.720 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -17.226 4.652 24.600) 30.390 2.889 ( -24.467 1.171 24.496) 34.642 3.518 ( 7.822 -2.469 -4.937) 9.574 4.016 ( -12.172 -24.519 -10.453) 29.302 4.154 ( 8.584 12.195 16.978) 22.598 4.626 ( -4.039 6.503 -3.555) 8.440 5.088 ( 1.607 -0.347 -4.743) 5.020 5.319 ( -8.777 -6.585 2.554) 11.265 5.768 ( -2.574 -0.841 2.027) 3.382 5.928 ( -6.631 -5.856 -8.045) 11.958 6.010 ( -6.886 -10.028 1.547) 12.262 6.309 ( 6.271 -4.022 2.577) 7.883 6.505 ( -4.211 -1.497 5.103) 6.783 6.689 ( -0.386 6.481 3.194) 7.235 6.913 ( -6.398 -1.873 -0.550) 6.689 7.069 ( 2.029 7.754 4.704) 9.293 7.380 ( 3.708 -2.253 -2.467) 4.991 7.517 ( 2.397 -1.782 -7.404) 7.984 7.629 ( 2.401 4.569 2.404) 5.694 7.849 ( 6.533 -2.192 -3.903) 7.919 8.233 ( 1.401 10.114 -7.913) 12.918 8.286 ( 6.609 1.828 -2.597) 7.332 8.543 ( 7.871 -3.231 2.299) 8.813 8.761 ( 10.110 6.493 0.672) 12.034 9.038 ( 1.836 -1.748 -6.000) 6.513 9.113 ( -4.414 1.256 3.817) 5.969 9.177 ( -1.297 -1.115 -3.454) 3.855 9.270 ( -2.205 2.276 -2.872) 4.277 9.675 ( -2.091 -0.210 -2.028) 2.921 9.940 ( 6.235 1.574 -0.271) 6.437 10.167 ( 1.540 -1.751 -1.924) 3.023 10.283 ( 7.078 0.678 1.492) 7.265 10.414 ( 1.050 1.482 -1.302) 2.235 10.576 ( -1.395 0.873 -0.097) 1.648 11.838 ( -6.846 -2.100 2.945) 7.743 11.945 ( -2.392 0.250 4.760) 5.333 12.410 ( 1.054 -2.758 0.128) 2.955 12.483 ( 0.591 0.448 -2.416) 2.528 12.870 ( 4.814 -5.348 0.806) 7.240 12.944 ( -1.711 2.442 1.445) 3.314 13.186 ( -1.496 4.356 0.163) 4.608 13.293 ( 2.740 1.939 -3.414) 4.788 13.386 ( 0.346 2.182 1.422) 2.628 13.636 ( 4.059 0.606 0.126) 4.106 13.859 ( -2.887 -5.308 2.743) 6.636 14.021 ( -6.467 -1.083 -4.239) 7.809 14.313 ( -4.036 -1.229 3.167) 5.275 14.872 ( -5.721 -0.814 6.163) 8.448 16.839 ( 3.521 -1.407 -4.823) 6.135 17.062 ( -1.785 -1.071 3.368) 3.959 17.278 ( 1.190 4.082 -3.798) 5.701 17.361 ( 5.945 -0.443 0.668) 5.999 17.652 ( -0.378 5.135 1.821) 5.462 17.926 ( -7.326 -4.307 -2.808) 8.950 18.777 ( -2.685 -3.898 2.628) 5.414 18.901 ( -2.269 0.558 2.077) 3.126 19.185 ( -0.521 -2.685 -0.353) 2.757 21.052 ( 6.921 5.966 -2.426) 9.454 21.161 ( 1.866 1.580 -0.481) 2.491 21.578 ( -1.540 -1.425 2.785) 3.487 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -25.654 -3.607 22.729) 34.464 2.513 ( -36.256 -2.785 6.484) 36.936 3.384 ( -23.711 -24.205 -3.450) 34.058 3.807 ( 17.321 -1.489 7.556) 18.957 4.465 ( 4.086 5.369 4.495) 8.108 4.539 ( -7.212 3.935 -2.696) 8.646 5.067 ( -1.704 0.339 1.716) 2.442 5.196 ( -2.967 0.419 0.996) 3.158 5.657 ( -5.017 1.141 -0.547) 5.174 5.760 ( 0.080 -1.414 -12.103) 12.186 5.916 ( 0.112 -6.438 5.941) 8.761 6.286 ( -5.453 -6.180 -4.589) 9.433 6.527 ( 2.758 -0.065 6.013) 6.616 6.750 ( 3.383 -3.428 1.903) 5.179 6.888 ( 1.606 5.344 0.552) 5.608 7.183 ( 2.956 7.289 -1.284) 7.970 7.394 ( 3.778 -2.294 -3.372) 5.560 7.551 ( 4.876 -1.581 1.132) 5.249 7.748 ( 3.773 4.409 3.947) 7.018 7.948 ( 8.854 -0.480 -2.345) 9.172 8.254 ( -3.912 9.295 -3.648) 10.724 8.334 ( 0.676 0.729 -1.972) 2.209 8.625 ( 3.366 -4.390 -0.724) 5.579 8.948 ( 2.287 -0.630 -4.436) 5.030 8.970 ( 0.213 4.644 2.241) 5.161 9.069 ( 1.289 0.644 -5.550) 5.734 9.186 ( 1.976 1.826 1.841) 3.260 9.290 ( 3.683 -0.885 2.323) 4.443 9.652 ( 0.412 0.143 -0.464) 0.637 10.020 ( 2.652 2.082 -1.067) 3.536 10.177 ( 3.681 0.241 -4.026) 5.460 10.383 ( 1.957 1.069 0.863) 2.391 10.417 ( 1.329 -1.077 -2.347) 2.904 10.549 ( -2.428 0.489 0.046) 2.478 11.662 ( -10.776 -3.597 1.293) 11.434 11.961 ( -3.201 -2.014 5.550) 6.716 12.363 ( -1.214 -2.139 -2.196) 3.297 12.564 ( 6.762 4.832 -1.688) 8.481 12.925 ( 6.266 -4.465 1.876) 7.920 12.951 ( -1.055 2.902 -0.525) 3.132 13.148 ( -2.698 0.735 -4.252) 5.090 13.346 ( 1.636 1.162 3.462) 4.002 13.446 ( 0.824 3.935 0.298) 4.031 13.677 ( 1.922 -3.863 0.031) 4.315 13.811 ( -3.419 0.169 1.528) 3.749 13.879 ( -2.454 -1.652 -2.546) 3.902 14.237 ( -6.029 -1.611 1.422) 6.401 14.790 ( -8.426 -3.239 5.416) 10.528 16.848 ( 3.066 0.255 -3.655) 4.778 17.029 ( -2.709 0.495 -1.010) 2.933 17.313 ( 1.514 2.804 -0.827) 3.292 17.479 ( 6.175 -0.685 3.694) 7.228 17.673 ( -2.923 0.651 -2.422) 3.851 17.806 ( -2.030 0.403 1.936) 2.834 18.734 ( -0.774 -2.574 1.201) 2.944 18.900 ( -1.436 1.073 2.801) 3.325 19.115 ( -3.192 -3.202 -1.970) 4.931 21.130 ( 0.912 1.590 -1.525) 2.385 21.223 ( 3.983 1.930 -0.209) 4.431 21.568 ( -0.275 -1.274 0.742) 1.500 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -36.142 -12.976 -5.141) 38.744 1.936 ( -32.127 -9.414 21.595) 39.839 2.864 ( -32.321 -8.576 25.051) 41.782 4.051 ( 6.473 -3.938 2.507) 7.981 4.393 ( 8.131 -4.923 -12.111) 15.395 4.568 ( -4.516 2.143 5.636) 7.534 5.097 ( -4.838 8.468 -1.780) 9.913 5.229 ( 4.309 -1.611 11.462) 12.351 5.610 ( 1.339 -3.922 -9.572) 10.430 5.703 ( -2.486 8.077 -3.787) 9.261 5.973 ( 0.992 1.473 8.946) 9.120 6.120 ( -1.070 -3.798 -1.296) 4.153 6.640 ( 4.344 2.768 3.086) 6.004 6.844 ( 10.963 -7.706 5.134) 14.350 6.979 ( 5.673 3.651 -3.622) 7.657 7.285 ( 4.614 4.242 -1.944) 6.562 7.394 ( 3.776 -3.018 -4.796) 6.810 7.602 ( 1.717 -0.148 1.060) 2.023 7.886 ( 4.666 3.166 1.362) 5.801 8.010 ( 4.092 -3.771 -4.850) 7.382 8.218 ( -7.899 7.819 -0.115) 11.115 8.297 ( -3.415 -0.470 -0.851) 3.551 8.526 ( -7.483 3.732 -7.745) 11.397 8.912 ( -3.844 -2.013 0.416) 4.359 8.993 ( 6.652 -5.345 -6.176) 10.534 9.129 ( 1.841 2.149 3.884) 4.805 9.253 ( 2.904 3.590 -1.281) 4.792 9.382 ( 3.713 -0.829 3.318) 5.047 9.687 ( 5.077 -0.278 -1.185) 5.221 10.061 ( 1.235 4.250 -2.216) 4.950 10.184 ( 1.764 0.181 -7.705) 7.906 10.364 ( -1.195 -0.713 -2.584) 2.935 10.398 ( -1.431 -1.774 -1.282) 2.615 10.524 ( -1.974 0.476 1.257) 2.388 11.507 ( -7.596 -1.692 4.328) 8.905 11.897 ( -6.123 -3.821 4.688) 8.607 12.342 ( 1.401 1.280 -0.411) 1.941 12.711 ( 7.497 5.893 -3.114) 10.032 12.933 ( -0.237 0.178 -5.049) 5.057 13.013 ( 6.357 -1.527 -0.857) 6.594 13.084 ( -2.077 -0.687 1.024) 2.416 13.391 ( -1.260 -4.066 3.167) 5.305 13.424 ( -4.557 2.146 -1.106) 5.157 13.690 ( -4.667 -1.000 -7.349) 8.762 13.707 ( 5.116 -0.204 2.657) 5.768 13.962 ( 3.464 3.838 7.880) 9.425 14.140 ( -5.121 -2.298 2.198) 6.028 14.655 ( -9.551 -4.816 6.158) 12.343 16.878 ( 2.626 1.006 -1.227) 3.068 16.984 ( -1.614 1.985 -3.406) 4.260 17.341 ( -0.756 1.998 -0.881) 2.311 17.542 ( -2.219 -2.680 -1.088) 3.645 17.596 ( 2.589 -1.677 -1.551) 3.452 17.887 ( 1.962 3.946 9.427) 10.406 18.737 ( 2.043 -0.762 0.892) 2.356 18.922 ( -0.719 0.860 3.568) 3.740 19.013 ( -3.628 -2.327 -1.711) 4.637 21.102 ( -2.897 0.094 -3.036) 4.197 21.285 ( 2.856 0.239 -2.506) 3.807 21.542 ( -0.900 -1.878 -2.230) 3.051 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -2.303 -3.563 34.607) 34.866 2.328 ( 10.341 9.634 42.544) 44.830 3.597 ( -8.589 15.895 8.874) 20.129 4.116 ( 14.763 3.465 7.697) 17.005 4.218 ( -3.489 -7.381 -3.083) 8.727 4.750 ( 0.003 3.189 13.987) 14.346 5.039 ( -6.243 -2.539 2.954) 7.358 5.336 ( 3.442 -0.664 -1.325) 3.747 5.588 ( -12.647 -6.582 -1.144) 14.304 5.794 ( 3.631 2.972 -1.359) 4.885 6.141 ( -3.495 -1.565 16.839) 17.269 6.472 ( -2.674 1.408 0.902) 3.154 6.604 ( 3.181 -1.113 -1.415) 3.655 6.955 ( 11.680 -9.916 -0.169) 15.323 7.231 ( 3.559 -4.793 2.230) 6.373 7.257 ( 6.856 0.041 -4.553) 8.230 7.453 ( 1.413 0.321 -5.573) 5.758 7.532 ( 13.817 5.649 -3.886) 15.425 7.676 ( -7.676 2.229 -1.034) 8.059 7.822 ( -8.131 -7.831 -16.603) 20.078 7.983 ( -1.553 -0.083 -3.541) 3.868 8.057 ( -10.635 1.150 0.857) 10.731 8.291 ( 3.025 7.607 -4.225) 9.213 8.479 ( -7.418 3.545 -4.707) 9.473 9.113 ( 1.360 -0.362 -2.042) 2.480 9.192 ( -0.010 -3.974 -4.467) 5.979 9.218 ( 2.380 2.548 -2.451) 4.262 9.422 ( 0.938 3.198 -1.443) 3.632 9.742 ( -1.806 -1.080 0.371) 2.137 9.836 ( 0.814 -3.975 -3.972) 5.678 10.053 ( -5.941 -0.157 -4.241) 7.301 10.252 ( -0.559 9.293 -2.983) 9.777 10.410 ( -1.100 -1.816 0.460) 2.172 10.505 ( -0.400 1.147 0.038) 1.215 11.648 ( -2.081 3.129 5.819) 6.927 12.037 ( 3.228 -0.247 9.169) 9.724 12.524 ( 0.749 -5.525 -2.340) 6.047 12.653 ( 4.502 -3.441 -1.386) 5.834 12.776 ( -2.593 -9.910 -0.659) 10.264 12.930 ( -0.519 2.108 -0.736) 2.292 13.129 ( 2.349 3.332 -1.218) 4.255 13.250 ( 0.750 4.915 -4.842) 6.940 13.342 ( -1.203 1.229 1.825) 2.508 13.551 ( -5.425 8.268 -0.189) 9.891 13.971 ( 2.872 -9.964 4.711) 11.390 14.142 ( 2.241 -3.924 1.587) 4.789 14.314 ( 2.225 -0.801 8.186) 8.521 14.820 ( -0.983 6.314 7.311) 9.710 16.906 ( -3.398 -4.916 -2.764) 6.584 17.006 ( -3.332 1.708 1.232) 3.942 17.124 ( 1.649 5.893 -1.681) 6.346 17.451 ( -2.367 -1.769 -2.675) 3.986 17.535 ( 3.138 3.752 -3.013) 5.745 18.224 ( 10.734 -16.739 6.306) 20.861 18.912 ( 1.954 -1.426 3.244) 4.046 18.956 ( 2.797 -0.298 4.577) 5.373 19.127 ( -4.307 -1.386 2.356) 5.102 20.630 ( -12.846 24.554 -10.174) 29.520 21.130 ( -0.347 1.780 -2.067) 2.750 21.586 ( 1.659 -3.033 4.569) 5.730 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -1.568 3.026 36.585) 36.744 2.957 ( 11.492 11.823 32.683) 36.606 3.628 ( -7.255 10.254 0.884) 12.592 3.938 ( -5.119 -14.019 -8.113) 16.987 4.672 ( 23.448 6.383 9.431) 26.067 4.783 ( -14.526 8.498 11.410) 20.333 4.953 ( -2.883 -7.944 9.301) 12.567 5.191 ( -8.484 -3.059 -8.142) 12.150 5.517 ( 6.358 -4.414 0.506) 7.756 5.860 ( 1.159 0.326 6.206) 6.322 6.291 ( 2.813 -0.703 17.083) 17.327 6.366 ( -4.184 -6.412 -1.351) 7.774 6.613 ( -1.859 2.179 -3.752) 4.720 7.011 ( 7.551 -11.384 -1.655) 13.760 7.235 ( -4.865 1.327 -3.176) 5.959 7.247 ( -4.740 -3.804 1.072) 6.171 7.402 ( -5.813 -6.518 -7.795) 11.706 7.499 ( 2.612 5.677 -1.623) 6.456 7.581 ( -0.857 -0.655 -5.826) 5.925 7.811 ( 5.189 0.029 -4.057) 6.587 7.942 ( 1.040 7.638 -3.456) 8.448 8.038 ( 3.770 5.200 -0.003) 6.423 8.311 ( -4.445 7.804 -13.361) 16.099 8.375 ( 2.095 -3.151 2.005) 4.282 9.080 ( -0.081 -3.263 -5.541) 6.431 9.100 ( 1.871 -5.510 -5.422) 7.954 9.287 ( -0.011 7.951 0.054) 7.951 9.476 ( 1.929 3.790 -0.074) 4.254 9.641 ( -3.648 -2.724 -3.004) 5.455 9.819 ( 2.850 -2.604 -5.822) 6.986 9.963 ( -2.561 0.630 1.971) 3.292 10.298 ( -2.802 7.078 -2.165) 7.915 10.349 ( -0.669 -3.370 0.710) 3.508 10.536 ( 1.755 1.687 -0.413) 2.469 11.713 ( -0.024 4.665 5.335) 7.087 12.142 ( 0.823 -0.914 6.550) 6.664 12.449 ( -1.009 -5.493 -0.862) 5.651 12.631 ( -1.414 -8.960 -0.355) 9.078 12.709 ( 3.071 -1.064 0.304) 3.265 12.919 ( -0.045 -0.457 -2.365) 2.409 13.179 ( 0.908 3.106 0.251) 3.245 13.245 ( -0.947 3.683 -2.688) 4.657 13.407 ( 3.876 3.731 -0.610) 5.415 13.522 ( -6.423 6.589 -0.621) 9.223 13.949 ( 0.918 -9.125 4.102) 10.047 14.169 ( 3.082 -4.108 2.178) 5.578 14.376 ( -0.654 -1.788 6.273) 6.555 14.924 ( -0.847 6.396 6.087) 8.870 16.780 ( -1.509 -5.260 -2.973) 6.228 17.033 ( -0.061 1.249 4.641) 4.807 17.175 ( 1.511 5.212 -4.023) 6.755 17.372 ( -2.475 -1.321 -2.376) 3.676 17.592 ( 1.563 5.161 -2.459) 5.926 18.252 ( 4.953 -15.582 3.231) 16.666 18.935 ( -1.577 -3.704 4.699) 6.188 19.001 ( -0.201 -0.342 1.710) 1.756 19.081 ( -1.079 -0.498 2.999) 3.225 20.671 ( -1.661 23.690 -7.331) 24.854 21.126 ( -0.148 2.159 -2.054) 2.984 21.613 ( 0.751 -3.660 4.278) 5.680 ======================= Grid point 95 (46/90) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.033 11.634 34.676) 36.576 3.287 ( -6.371 6.075 7.078) 11.296 3.624 ( -6.134 -20.168 -6.843) 22.163 3.761 ( 11.161 7.097 15.490) 20.368 4.548 ( -19.929 -0.034 -4.554) 20.442 4.851 ( -12.573 1.455 4.478) 13.426 4.925 ( 6.702 -5.188 -3.934) 9.344 5.371 ( 15.091 5.461 13.164) 20.757 5.536 ( 5.535 -6.403 -5.066) 9.864 5.955 ( 1.863 -3.217 11.004) 11.615 6.235 ( -1.865 -5.848 -3.712) 7.173 6.384 ( -5.585 -1.689 6.097) 8.439 6.627 ( 0.868 1.610 6.243) 6.505 6.854 ( -6.911 -8.579 -8.310) 13.799 7.069 ( -11.021 -2.574 1.811) 11.461 7.126 ( 0.494 -2.633 -0.760) 2.785 7.325 ( 2.462 -5.155 -3.496) 6.698 7.518 ( -4.303 4.299 -0.019) 6.082 7.644 ( -2.740 8.762 0.690) 9.206 7.722 ( 2.275 -2.873 -7.375) 8.235 8.053 ( 4.381 2.711 -9.427) 10.743 8.103 ( 3.009 9.198 -1.921) 9.866 8.349 ( 8.003 8.116 -4.759) 12.351 8.428 ( 6.840 -0.979 1.537) 7.079 8.986 ( 1.533 -7.389 -6.113) 9.712 9.057 ( 1.985 -2.174 -3.078) 4.259 9.328 ( -4.855 5.871 1.040) 7.689 9.468 ( -5.693 3.978 -1.000) 7.017 9.655 ( 7.969 1.043 -3.272) 8.678 9.755 ( -0.295 -1.656 -4.346) 4.661 10.029 ( 4.898 0.347 4.919) 6.950 10.230 ( -3.208 -2.007 -1.090) 3.938 10.382 ( 0.809 3.569 0.255) 3.668 10.569 ( 1.437 1.199 -1.106) 2.174 11.823 ( 2.062 4.884 5.449) 7.603 12.135 ( -4.084 -2.962 1.899) 5.391 12.392 ( -0.365 -3.760 0.342) 3.793 12.532 ( -2.172 -5.279 -0.128) 5.710 12.752 ( 2.626 -3.053 1.013) 4.152 12.911 ( 2.432 -0.520 -0.620) 2.563 13.224 ( 0.160 3.403 1.579) 3.755 13.247 ( -0.154 3.778 -3.299) 5.018 13.465 ( -5.532 3.585 -0.680) 6.626 13.499 ( 4.313 3.418 -0.843) 5.567 13.909 ( -0.599 -6.892 3.017) 7.548 14.174 ( -0.502 -2.966 -0.247) 3.018 14.381 ( -1.598 -2.581 4.505) 5.432 14.997 ( -2.132 3.628 4.819) 6.397 16.723 ( 2.371 -3.780 -2.406) 5.069 17.090 ( 0.011 0.717 6.017) 6.060 17.205 ( 2.814 2.347 -4.060) 5.469 17.312 ( -2.299 1.329 -2.668) 3.764 17.641 ( 0.898 5.476 -1.385) 5.719 18.142 ( -3.510 -11.216 -1.484) 11.846 18.886 ( -3.680 -4.177 4.057) 6.889 18.998 ( -2.686 1.585 1.383) 3.412 19.117 ( 3.202 -2.695 2.232) 4.743 20.835 ( 4.382 16.329 -4.007) 17.375 21.130 ( 0.268 2.160 -1.543) 2.668 21.615 ( -0.354 -3.839 3.362) 5.115 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -14.913 8.321 25.089) 30.349 3.283 ( 7.915 -8.725 -5.575) 13.033 3.315 ( -5.596 -5.523 5.764) 9.749 3.970 ( -22.912 -19.945 -3.454) 30.573 4.238 ( 6.844 10.239 9.607) 15.620 4.785 ( -5.199 9.874 -0.828) 11.190 4.978 ( 5.712 0.160 -0.205) 5.718 5.383 ( -4.394 -13.559 0.948) 14.285 5.671 ( 5.732 4.016 -6.567) 9.598 5.968 ( -2.639 -4.878 2.531) 6.097 6.100 ( -8.336 -5.676 -5.788) 11.628 6.287 ( -6.577 -5.385 11.499) 14.300 6.612 ( -6.254 -7.463 3.911) 10.493 6.719 ( 1.090 4.532 -3.196) 5.652 6.966 ( -1.769 0.782 -0.929) 2.146 7.172 ( 2.088 1.074 -0.390) 2.380 7.311 ( 0.527 -1.676 3.240) 3.686 7.413 ( -5.935 1.721 -2.742) 6.761 7.658 ( 5.657 1.517 -3.009) 6.585 7.734 ( 0.104 3.253 -0.533) 3.298 8.161 ( 9.989 6.227 -4.059) 12.451 8.223 ( 3.767 7.032 -1.628) 8.142 8.439 ( 5.435 -1.833 -0.379) 5.749 8.638 ( 11.828 7.452 -2.556) 14.212 8.900 ( 1.975 -7.235 -3.284) 8.187 9.089 ( 4.042 -0.179 2.224) 4.617 9.272 ( -6.153 2.718 -0.760) 6.769 9.379 ( -8.274 4.036 -3.156) 9.731 9.693 ( -1.104 -0.245 0.366) 1.188 9.810 ( 9.004 1.992 -3.491) 9.860 10.138 ( 1.364 -2.366 2.125) 3.460 10.209 ( 4.640 1.862 1.600) 5.250 10.415 ( -0.219 2.414 -0.548) 2.485 10.582 ( 0.541 0.484 -1.507) 1.673 11.930 ( -1.005 2.009 4.507) 5.036 12.018 ( -5.067 -3.646 0.179) 6.245 12.380 ( 1.246 -1.846 0.830) 2.377 12.463 ( -1.412 -2.334 -1.001) 2.906 12.763 ( 3.122 -4.120 0.620) 5.206 12.957 ( 1.991 0.504 0.711) 2.173 13.229 ( -1.159 1.394 -4.589) 4.934 13.280 ( 0.552 3.726 2.333) 4.430 13.432 ( -1.491 3.616 0.300) 3.922 13.587 ( 3.688 1.649 0.297) 4.050 13.862 ( -1.310 -4.863 2.960) 5.842 14.077 ( -5.875 -2.300 -4.288) 7.629 14.362 ( -1.748 -3.363 2.697) 4.652 14.999 ( -4.547 0.302 3.602) 5.809 16.736 ( 3.795 -0.546 -2.014) 4.331 17.130 ( -2.726 0.339 4.707) 5.450 17.248 ( 5.830 -2.436 -1.189) 6.429 17.293 ( -0.072 5.672 -2.548) 6.218 17.698 ( 1.058 4.780 -0.324) 4.907 17.949 ( -5.901 -7.622 -3.530) 10.265 18.822 ( -3.842 -3.273 2.733) 5.740 18.975 ( -3.307 1.516 1.686) 4.009 19.141 ( 1.788 -3.830 -0.027) 4.227 21.011 ( 5.194 9.685 -1.378) 11.076 21.149 ( 0.958 1.910 -0.646) 2.232 21.593 ( -0.919 -3.702 1.872) 4.249 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -21.743 -12.661 10.984) 27.454 3.118 ( -35.193 0.039 0.122) 35.193 3.254 ( 1.113 -23.737 -6.690) 24.687 3.624 ( 13.552 1.015 10.826) 17.376 4.475 ( 2.320 6.050 2.910) 7.103 4.765 ( -12.133 3.661 -2.972) 13.017 5.090 ( 5.955 2.745 -0.563) 6.582 5.227 ( -0.348 -6.449 9.645) 11.608 5.602 ( -2.587 2.079 -14.458) 14.834 5.845 ( -11.279 0.976 -1.448) 11.413 5.941 ( -1.554 -1.684 5.831) 6.265 6.233 ( -2.265 -8.799 2.016) 9.307 6.543 ( 1.909 -6.721 4.904) 8.536 6.715 ( -2.983 0.266 -3.095) 4.307 6.927 ( -2.516 1.270 -1.143) 3.041 7.209 ( 2.938 8.504 -3.920) 9.814 7.243 ( 0.768 -6.357 -2.536) 6.888 7.550 ( 4.783 5.320 9.431) 11.838 7.746 ( 4.110 -2.155 1.070) 4.763 7.785 ( 5.725 3.644 -3.049) 7.439 8.285 ( 3.368 6.909 -6.605) 10.134 8.354 ( 4.323 5.625 1.689) 7.292 8.497 ( 5.639 -3.480 -2.115) 6.956 8.785 ( 4.896 -0.277 -4.574) 6.706 8.936 ( 8.571 -0.248 3.441) 9.239 9.158 ( -9.345 3.374 -4.657) 10.973 9.206 ( 3.462 2.461 6.066) 7.406 9.280 ( -2.873 0.657 0.230) 2.956 9.666 ( -2.352 -1.043 1.427) 2.942 9.928 ( 7.583 1.849 -4.806) 9.166 10.139 ( 0.270 1.567 -0.656) 1.720 10.340 ( 5.072 1.176 2.202) 5.653 10.405 ( -1.508 1.114 -2.049) 2.777 10.571 ( -0.488 -0.168 -1.014) 1.138 11.804 ( -9.797 -3.067 0.193) 10.268 12.012 ( -0.669 -3.227 3.862) 5.077 12.369 ( -2.056 -0.770 0.211) 2.205 12.478 ( 5.662 2.424 -2.361) 6.596 12.801 ( 5.157 -3.722 1.034) 6.443 12.974 ( -0.590 1.238 -1.560) 2.077 13.170 ( -2.614 -0.186 -1.805) 3.182 13.345 ( 2.105 2.310 0.947) 3.265 13.485 ( 1.178 5.589 0.525) 5.736 13.611 ( 0.798 -5.540 0.707) 5.642 13.868 ( -0.873 0.329 2.962) 3.105 13.909 ( -5.064 -0.586 -3.211) 6.025 14.301 ( -3.748 -3.866 0.856) 5.452 14.924 ( -6.858 -2.830 2.749) 7.912 16.786 ( 3.169 2.283 -1.197) 4.085 17.084 ( -4.590 0.997 -1.207) 4.849 17.318 ( 2.655 1.757 1.136) 3.380 17.381 ( 7.202 0.709 1.506) 7.392 17.688 ( -4.057 -2.714 -3.719) 6.136 17.842 ( 0.490 0.265 1.888) 1.969 18.759 ( -3.058 -1.610 1.210) 3.662 18.960 ( -2.063 0.834 2.036) 3.016 19.101 ( -1.159 -3.420 -1.479) 3.902 21.130 ( 1.638 4.958 -0.932) 5.304 21.185 ( 2.431 1.100 0.244) 2.680 21.555 ( -0.624 -3.380 0.016) 3.437 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -32.828 -12.950 -7.699) 36.120 2.409 ( -24.848 -29.627 17.722) 42.535 3.294 ( -3.999 9.535 10.868) 15.001 3.932 ( 17.370 -1.537 2.653) 17.638 4.300 ( -21.813 -5.350 -4.439) 22.894 4.634 ( 0.649 0.183 0.120) 0.685 5.180 ( 3.210 0.678 1.876) 3.779 5.360 ( -4.370 1.166 15.020) 15.686 5.487 ( 1.176 4.228 -10.225) 11.127 5.747 ( -2.356 5.961 -6.558) 9.170 6.010 ( 2.923 -0.131 8.852) 9.323 6.136 ( -0.420 -0.555 0.192) 0.721 6.598 ( 5.984 -4.673 2.754) 8.076 6.678 ( 2.462 -4.011 2.345) 5.258 6.909 ( 0.514 1.664 -3.362) 3.786 7.180 ( 4.257 -9.459 -5.341) 11.667 7.313 ( 1.941 7.628 -1.534) 8.019 7.650 ( -2.791 0.568 3.161) 4.254 7.803 ( 6.102 -3.816 -0.257) 7.202 7.906 ( 5.332 6.583 -1.412) 8.588 8.310 ( -0.696 4.519 -4.826) 6.649 8.427 ( -5.313 6.210 1.832) 8.376 8.504 ( 4.453 -1.195 -7.078) 8.447 8.803 ( 3.857 -5.073 -2.685) 6.915 8.995 ( -7.051 1.348 -1.971) 7.445 9.113 ( 7.044 2.413 1.046) 7.519 9.237 ( -0.827 1.171 -0.171) 1.444 9.364 ( 2.940 0.056 6.037) 6.715 9.648 ( -0.364 0.389 2.212) 2.275 9.987 ( 4.838 -0.466 -6.149) 7.838 10.162 ( 0.095 5.398 -2.759) 6.063 10.342 ( -1.917 -0.216 -4.076) 4.510 10.410 ( -0.267 0.897 0.385) 1.012 10.557 ( -0.550 -0.412 0.905) 1.136 11.650 ( -7.858 -1.326 3.022) 8.523 11.964 ( -3.010 -5.835 3.019) 7.227 12.350 ( -0.675 2.559 -0.017) 2.647 12.595 ( 7.975 2.872 -3.509) 9.174 12.860 ( 5.185 -2.469 -1.523) 5.942 12.941 ( -1.399 0.180 -2.256) 2.661 13.128 ( -2.262 -0.426 1.524) 2.760 13.388 ( 0.406 -0.921 0.175) 1.022 13.479 ( -3.072 -0.319 -2.589) 4.030 13.649 ( 4.463 1.665 3.539) 5.934 13.727 ( -5.138 -1.680 -3.759) 6.584 14.018 ( 3.272 4.951 7.436) 9.514 14.200 ( -4.386 -4.454 0.670) 6.287 14.792 ( -7.810 -5.073 3.188) 9.843 16.854 ( 2.474 3.166 0.741) 4.086 17.011 ( -3.262 2.206 -3.969) 5.591 17.368 ( 0.106 2.609 0.081) 2.612 17.496 ( 4.268 -2.043 -3.380) 5.815 17.561 ( -2.574 -3.085 1.699) 4.362 17.921 ( 3.866 0.325 5.234) 6.516 18.730 ( -0.415 0.233 0.501) 0.691 18.938 ( -1.161 -4.041 0.642) 4.253 19.059 ( -1.965 2.639 0.997) 3.438 21.137 ( -2.654 2.433 -2.140) 4.188 21.229 ( 1.868 -0.579 -1.310) 2.354 21.516 ( -0.228 -2.637 -0.729) 2.746 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 4.072 2.711 25.580) 26.044 2.663 ( 5.538 8.066 41.987) 43.112 3.729 ( -0.110 0.735 -0.288) 0.797 3.854 ( 16.975 -5.621 -2.779) 18.096 4.277 ( -9.528 1.962 -5.162) 11.013 4.780 ( 7.866 2.986 7.321) 11.153 5.201 ( 5.611 -3.504 3.614) 7.538 5.312 ( -8.625 -3.470 -0.943) 9.345 5.690 ( -4.024 -2.394 2.778) 5.445 5.837 ( -9.209 0.493 6.857) 11.492 6.276 ( 2.779 -5.275 6.599) 8.894 6.447 ( 5.943 -2.847 5.786) 8.770 6.542 ( 4.607 -1.245 -2.801) 5.534 6.782 ( 2.770 -6.402 3.249) 7.695 6.875 ( 17.671 0.731 -7.448) 19.191 7.115 ( 6.884 -2.016 -1.447) 7.318 7.425 ( -2.065 -0.057 -2.337) 3.119 7.469 ( 4.451 8.830 0.641) 9.909 7.636 ( -4.058 -4.799 -14.435) 15.743 7.899 ( -8.095 -2.508 -3.175) 9.049 8.044 ( -3.792 5.351 1.419) 6.710 8.236 ( -6.586 1.035 -5.290) 8.511 8.342 ( -9.785 7.791 0.310) 12.512 8.599 ( -9.029 3.250 -4.460) 10.582 9.022 ( 2.473 -8.948 -3.572) 9.947 9.149 ( -3.726 -0.278 -3.452) 5.087 9.187 ( 5.638 5.758 0.418) 8.069 9.376 ( 3.174 1.339 -4.330) 5.533 9.720 ( 2.326 -2.253 -3.634) 4.868 9.843 ( -5.484 0.914 -0.316) 5.568 10.125 ( -5.901 -0.332 -1.100) 6.012 10.336 ( -1.243 7.776 -1.367) 7.992 10.405 ( -0.124 -0.989 0.682) 1.207 10.520 ( -1.321 0.069 -1.018) 1.669 11.782 ( -3.402 4.043 6.289) 8.215 11.996 ( 7.182 -3.389 4.846) 9.303 12.461 ( 0.152 -2.166 -2.115) 3.031 12.552 ( 3.293 -3.128 -0.691) 4.594 12.743 ( -2.809 -6.585 1.506) 7.316 12.977 ( -2.224 0.579 1.499) 2.744 13.123 ( 1.929 3.882 -0.248) 4.342 13.259 ( -1.040 5.648 -3.455) 6.702 13.380 ( -1.313 -0.104 -0.391) 1.374 13.683 ( -2.572 7.707 -0.789) 8.163 13.876 ( 3.109 -8.359 3.904) 9.735 14.074 ( 1.860 -4.587 -1.260) 5.108 14.318 ( 3.836 -1.686 6.469) 7.708 14.908 ( 2.612 3.125 6.076) 7.315 16.892 ( -2.368 -3.283 -2.098) 4.559 17.103 ( -2.164 1.482 0.735) 2.724 17.127 ( -2.207 3.216 -2.565) 4.669 17.463 ( -2.332 -0.833 -0.707) 2.575 17.492 ( 3.104 4.343 -2.180) 5.766 18.010 ( 6.431 -9.082 1.931) 11.294 18.882 ( 3.042 -1.700 2.835) 4.492 18.947 ( 3.608 0.696 4.265) 5.630 19.168 ( -2.067 -3.140 0.243) 3.767 20.916 ( -10.062 13.803 -6.250) 18.189 21.143 ( -0.848 2.384 -1.372) 2.879 21.561 ( 1.972 -3.727 4.169) 5.929 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 3.320 7.696 28.819) 30.013 3.178 ( 6.510 8.403 32.772) 34.453 3.663 ( 0.522 -10.764 -5.972) 12.320 3.865 ( -7.097 -3.031 -11.785) 14.087 4.403 ( 21.975 5.302 5.037) 23.160 4.923 ( 5.436 0.567 2.994) 6.232 5.063 ( -11.795 -6.018 -1.898) 13.377 5.263 ( 3.223 -4.473 -3.075) 6.313 5.563 ( -13.853 -2.081 9.540) 16.948 5.879 ( 0.061 3.750 8.725) 9.497 6.306 ( 2.534 -3.691 -3.711) 5.815 6.467 ( -3.495 -7.913 16.238) 18.399 6.628 ( 6.166 -1.268 -2.883) 6.924 6.753 ( 1.514 -6.514 0.303) 6.695 7.057 ( 9.768 0.068 -12.770) 16.078 7.240 ( 7.508 -1.279 1.551) 7.773 7.334 ( -1.232 -5.082 -13.628) 14.596 7.412 ( -1.530 2.938 2.293) 4.028 7.698 ( 9.691 9.095 -2.046) 13.447 7.743 ( -8.068 -3.446 1.127) 8.845 8.037 ( -5.817 7.486 1.862) 9.661 8.150 ( -4.919 2.561 3.125) 6.365 8.287 ( -2.087 6.141 -7.109) 9.623 8.426 ( -9.064 2.358 -4.933) 10.586 8.932 ( 2.140 -9.164 -4.134) 10.279 9.068 ( -3.304 -0.659 -2.164) 4.005 9.324 ( 3.760 8.188 -1.857) 9.199 9.427 ( 4.647 2.609 -1.209) 5.465 9.676 ( -2.280 -0.444 -7.284) 7.645 9.753 ( -2.872 -0.941 -0.718) 3.106 10.041 ( -4.332 -0.664 2.521) 5.056 10.349 ( -3.591 -4.570 0.567) 5.839 10.379 ( -0.299 5.967 -0.795) 6.027 10.522 ( 0.773 2.478 -1.101) 2.820 11.825 ( -2.399 5.269 4.925) 7.601 12.106 ( 5.581 -3.928 2.850) 7.396 12.413 ( -0.730 -3.144 -1.158) 3.429 12.556 ( 1.670 -6.674 1.323) 7.006 12.688 ( -0.042 -1.348 1.763) 2.219 12.931 ( -3.247 -0.412 -1.070) 3.444 13.192 ( 1.765 3.290 0.379) 3.753 13.269 ( -1.003 4.380 -2.122) 4.969 13.387 ( 1.861 1.910 -0.446) 2.704 13.664 ( -5.603 4.697 -1.518) 7.467 13.885 ( 2.342 -6.331 3.585) 7.643 14.082 ( 4.111 -3.981 0.408) 5.738 14.394 ( 1.802 -2.588 4.607) 5.583 15.013 ( 1.203 3.432 3.919) 5.346 16.764 ( -4.656 -4.462 -2.067) 6.772 17.094 ( -1.277 3.059 -0.102) 3.317 17.150 ( 1.624 0.474 0.588) 1.791 17.398 ( -2.889 0.146 -0.943) 3.043 17.585 ( 2.835 6.634 -2.561) 7.655 18.052 ( 6.973 -9.602 1.462) 11.957 18.925 ( 2.233 -3.245 2.602) 4.721 19.019 ( -0.246 -0.875 3.363) 3.483 19.109 ( -0.913 -2.145 0.252) 2.345 20.872 ( -6.156 15.881 -4.996) 17.750 21.141 ( -0.847 2.851 -1.620) 3.387 21.589 ( 1.774 -4.416 3.810) 6.096 ======================= Grid point 103 (52/90) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 4.368 13.593 29.082) 32.398 3.396 ( -6.718 -18.042 -9.656) 21.538 3.408 ( -3.873 -10.688 -2.273) 11.593 3.792 ( 8.422 4.687 12.883) 16.089 4.699 ( 1.997 3.798 -6.373) 7.683 4.874 ( -7.236 -2.285 1.323) 7.703 5.104 ( -7.333 2.336 -0.937) 7.753 5.180 ( 16.278 -0.102 -1.007) 16.309 5.439 ( -4.373 -8.402 9.279) 13.260 5.969 ( 0.184 -3.147 7.488) 8.124 6.197 ( -2.657 -2.986 -9.417) 10.230 6.488 ( 1.112 -9.412 5.910) 11.169 6.629 ( -0.131 -2.085 -4.415) 4.884 6.777 ( 0.086 -1.095 7.305) 7.387 7.013 ( 2.776 -4.495 -4.565) 6.982 7.113 ( -1.611 0.867 -5.233) 5.544 7.409 ( -6.992 3.084 3.723) 8.500 7.485 ( 6.839 -2.098 -0.139) 7.155 7.648 ( 1.870 4.429 -2.608) 5.469 7.845 ( 2.437 5.050 -4.874) 7.430 7.974 ( -9.000 1.167 -2.275) 9.356 8.168 ( -0.572 5.087 2.560) 5.724 8.278 ( 3.084 4.731 -5.094) 7.605 8.371 ( 0.130 7.095 0.911) 7.155 8.873 ( 0.547 -6.711 2.099) 7.052 9.008 ( 0.048 -0.478 -1.640) 1.709 9.422 ( 0.515 7.776 -3.855) 8.694 9.505 ( 4.945 0.869 -4.396) 6.673 9.578 ( -3.613 3.274 -1.937) 5.247 9.717 ( 0.283 -0.827 -0.694) 1.117 10.030 ( 0.424 -1.297 4.164) 4.382 10.253 ( -3.689 -3.540 0.915) 5.194 10.422 ( 0.208 3.623 0.413) 3.652 10.546 ( 0.843 1.842 -1.644) 2.609 11.892 ( 0.233 4.359 4.145) 6.020 12.126 ( 0.710 -4.806 -0.737) 4.914 12.371 ( -0.575 -2.710 0.143) 2.774 12.513 ( -0.774 -5.371 1.359) 5.594 12.726 ( 1.140 -0.903 2.768) 3.127 12.881 ( -0.087 0.102 -0.823) 0.834 13.243 ( 1.466 1.264 -0.073) 1.937 13.264 ( -1.530 2.967 -1.010) 3.488 13.452 ( 3.762 3.598 -1.894) 5.539 13.589 ( -6.001 2.060 -0.018) 6.345 13.886 ( 0.280 -3.634 1.963) 4.140 14.110 ( 3.197 -3.952 -0.596) 5.117 14.405 ( -0.722 -3.296 2.342) 4.108 15.071 ( -0.162 1.633 1.877) 2.493 16.674 ( -1.105 -2.593 0.197) 2.825 17.091 ( 2.116 0.005 -4.461) 4.938 17.204 ( -0.327 1.064 7.077) 7.164 17.354 ( -2.820 2.223 -2.023) 4.121 17.652 ( 1.681 6.012 -3.058) 6.951 18.043 ( 1.623 -8.675 -1.550) 8.960 18.923 ( -1.124 -4.854 2.721) 5.677 19.011 ( 0.681 -0.277 -0.062) 0.738 19.105 ( -0.478 -1.318 1.831) 2.306 20.921 ( -0.691 13.282 -2.636) 13.559 21.142 ( -0.495 2.809 -1.356) 3.159 21.599 ( 0.794 -4.572 3.011) 5.532 ======================= Grid point 104 (53/90) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -6.402 -25.007 -9.936) 27.660 3.124 ( 2.815 -18.277 -11.038) 21.536 3.293 ( -1.207 17.200 26.107) 31.286 4.142 ( 6.996 -0.445 15.251) 16.785 4.397 ( -22.603 0.498 -10.339) 24.861 4.825 ( 2.103 0.377 -0.539) 2.203 4.986 ( -3.074 -0.913 -4.563) 5.577 5.281 ( -0.216 -1.074 -4.650) 4.777 5.569 ( 9.988 -3.789 6.007) 12.256 5.949 ( 0.818 -5.176 -1.215) 5.380 6.052 ( -1.439 -5.314 -7.432) 9.249 6.459 ( 0.796 -9.704 3.229) 10.258 6.515 ( -5.841 -1.606 -1.383) 6.214 6.789 ( -0.788 -1.353 1.136) 1.935 7.034 ( -4.839 5.773 -0.642) 7.560 7.137 ( 0.503 3.155 3.894) 5.037 7.369 ( -1.528 4.356 9.152) 10.250 7.510 ( 4.697 -1.067 -5.457) 7.278 7.618 ( -12.228 -1.079 -3.338) 12.721 7.817 ( -3.267 4.591 -2.397) 6.123 7.955 ( 11.252 2.095 -5.684) 12.779 8.238 ( 2.859 2.399 2.190) 4.327 8.348 ( 3.892 3.073 -2.070) 5.373 8.533 ( 7.312 9.042 1.849) 11.775 8.851 ( -1.098 -4.845 5.862) 7.684 9.066 ( 4.019 2.530 4.577) 6.596 9.368 ( -5.207 3.923 -5.218) 8.351 9.496 ( -5.512 0.504 -2.651) 6.137 9.630 ( 8.899 5.084 -5.708) 11.731 9.736 ( -0.379 -0.189 2.685) 2.719 10.095 ( 4.327 -2.249 4.183) 6.425 10.212 ( -0.818 0.912 2.309) 2.614 10.453 ( -0.732 2.295 0.963) 2.594 10.550 ( 0.912 0.391 -2.603) 2.785 11.964 ( 2.517 -2.254 1.994) 3.923 12.046 ( -4.490 -1.506 -1.316) 4.916 12.351 ( 0.653 -1.808 0.369) 1.957 12.466 ( -1.603 -2.457 0.386) 2.959 12.726 ( -0.490 -1.864 1.923) 2.723 12.928 ( 3.166 0.657 1.616) 3.614 13.220 ( -1.230 0.225 -3.051) 3.298 13.306 ( 1.691 2.023 1.028) 2.830 13.490 ( -1.571 4.285 -3.333) 5.651 13.565 ( 0.848 0.066 3.172) 3.284 13.869 ( -0.504 -1.578 1.391) 2.163 14.072 ( -1.632 -4.026 -3.727) 5.723 14.365 ( -1.286 -4.018 0.579) 4.258 15.064 ( -1.997 -1.295 0.064) 2.381 16.687 ( 2.319 0.758 1.918) 3.103 17.107 ( 5.606 -1.840 -3.078) 6.655 17.245 ( -4.538 0.224 5.494) 7.130 17.329 ( -0.349 4.119 -0.990) 4.251 17.702 ( 1.853 4.163 -2.674) 5.283 17.925 ( -3.697 -6.216 -3.737) 8.141 18.871 ( -2.885 -3.149 1.803) 4.636 19.021 ( 0.483 -1.158 -0.487) 1.345 19.092 ( -0.413 -1.694 0.744) 1.896 21.029 ( 2.722 8.438 -0.227) 8.869 21.156 ( 0.152 2.826 -0.690) 2.913 21.581 ( -0.535 -4.408 1.789) 4.787 ======================= Grid point 105 (54/90) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -5.379 -24.207 -5.715) 25.448 2.832 ( 3.231 -33.068 -13.452) 35.845 3.629 ( -6.993 14.984 19.399) 25.490 3.782 ( -25.142 -1.012 0.693) 25.171 4.476 ( 8.268 2.163 5.113) 9.959 4.790 ( -4.091 -6.907 -19.077) 20.698 4.945 ( 10.453 2.747 -0.409) 10.815 5.299 ( 0.452 2.298 8.865) 9.169 5.575 ( -2.656 -0.381 -7.323) 7.799 5.883 ( -2.092 -3.897 -10.780) 11.652 5.978 ( 2.331 -4.035 5.687) 7.352 6.354 ( -7.004 -7.851 4.359) 11.388 6.441 ( -2.681 0.132 0.832) 2.810 6.767 ( -2.080 0.105 -0.616) 2.172 6.997 ( -3.780 2.817 -0.234) 4.720 7.152 ( -4.364 1.858 2.744) 5.480 7.343 ( -9.141 1.187 -2.790) 9.630 7.590 ( 5.447 1.148 -0.223) 5.571 7.612 ( 8.549 7.300 7.698) 13.625 7.797 ( -0.243 1.742 -1.955) 2.630 8.080 ( 11.630 -1.914 -9.328) 15.031 8.345 ( 3.436 3.587 2.005) 5.357 8.426 ( 4.239 2.006 1.519) 4.930 8.736 ( 4.734 7.656 -0.128) 9.002 8.859 ( 2.054 -4.842 7.720) 9.341 9.211 ( 2.356 1.222 3.919) 4.734 9.291 ( -4.136 6.037 -0.002) 7.318 9.372 ( -6.797 0.245 -1.676) 7.005 9.723 ( -2.816 -0.472 3.062) 4.186 9.760 ( 9.005 3.062 -7.765) 12.278 10.154 ( 0.537 0.376 2.818) 2.893 10.296 ( 4.918 2.165 2.714) 6.020 10.445 ( -2.962 1.932 -0.682) 3.602 10.547 ( 1.339 -0.864 -1.377) 2.106 11.881 ( -3.850 -5.965 -3.145) 7.765 12.007 ( -1.789 -3.387 2.284) 4.460 12.381 ( 3.385 1.317 0.295) 3.644 12.431 ( -1.703 0.847 -0.500) 1.967 12.737 ( 1.402 -1.585 2.244) 3.084 12.975 ( 0.597 0.330 0.434) 0.808 13.181 ( -0.947 -0.066 -1.336) 1.639 13.342 ( 0.999 1.101 -1.078) 1.836 13.512 ( 1.636 5.558 -0.203) 5.797 13.575 ( -0.953 -4.822 2.166) 5.371 13.887 ( -0.197 -0.939 -0.827) 1.266 13.952 ( -2.680 0.422 -1.577) 3.138 14.302 ( -1.709 -4.928 -0.693) 5.262 14.986 ( -3.976 -4.290 -1.141) 5.959 16.772 ( 2.795 3.663 2.272) 5.137 17.148 ( -1.242 -1.905 -2.939) 3.716 17.213 ( 4.334 0.778 1.053) 4.528 17.386 ( 0.482 3.330 2.990) 4.502 17.691 ( -2.951 -3.038 -2.602) 4.970 17.834 ( 0.860 0.617 -1.294) 1.672 18.808 ( -3.527 -1.603 0.601) 3.920 18.988 ( -1.295 -3.034 -1.013) 3.451 19.083 ( 0.153 0.168 0.004) 0.227 21.137 ( 3.031 3.615 0.995) 4.821 21.181 ( 0.038 2.639 -0.289) 2.655 21.537 ( -1.219 -3.840 0.527) 4.063 ======================= Grid point 106 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -14.030 -22.975 -13.071) 29.925 2.420 ( -3.420 -37.715 10.407) 39.274 3.551 ( -7.317 10.032 5.001) 13.386 3.811 ( -1.450 5.001 8.189) 9.704 4.435 ( -6.455 -7.003 -19.504) 21.705 4.634 ( 0.911 -0.610 6.496) 6.587 5.088 ( 6.205 -2.857 0.413) 6.844 5.464 ( -0.554 8.431 -9.501) 12.715 5.485 ( 5.099 -2.424 10.301) 11.747 5.753 ( -0.633 1.553 -5.652) 5.896 6.040 ( 1.850 1.067 2.469) 3.264 6.227 ( -7.951 -0.103 5.269) 9.539 6.433 ( 3.090 -2.366 -1.387) 4.132 6.721 ( -3.307 -1.452 2.776) 4.555 6.972 ( -2.451 3.105 -0.384) 3.974 7.024 ( -5.382 -8.786 0.746) 10.330 7.359 ( 0.967 8.708 -1.229) 8.847 7.641 ( 2.033 -5.842 -0.660) 6.221 7.735 ( 0.861 2.854 -1.836) 3.501 7.902 ( 4.527 6.891 2.328) 8.567 8.184 ( 12.166 0.952 -5.927) 13.566 8.423 ( 2.055 6.746 -3.162) 7.728 8.523 ( 1.089 1.212 4.256) 4.557 8.748 ( -3.094 -4.442 2.312) 5.886 8.990 ( 6.957 0.654 1.530) 7.153 9.125 ( -7.103 0.822 -2.225) 7.489 9.280 ( -2.919 1.504 -1.740) 3.716 9.397 ( 0.422 1.594 5.294) 5.545 9.723 ( -1.681 2.345 6.340) 6.965 9.830 ( 6.373 0.277 -8.517) 10.641 10.186 ( 0.102 3.357 0.009) 3.358 10.361 ( -1.853 1.259 -1.726) 2.828 10.424 ( 0.319 2.654 0.035) 2.673 10.551 ( 0.786 -1.869 1.071) 2.293 11.756 ( -4.244 -2.741 0.162) 5.055 11.938 ( -0.992 -7.599 0.421) 7.675 12.410 ( -2.737 3.734 0.307) 4.640 12.479 ( 5.919 2.016 -1.373) 6.402 12.772 ( 2.873 -1.452 1.207) 3.438 12.962 ( -2.013 0.338 -0.911) 2.235 13.165 ( -1.319 -0.798 1.841) 2.401 13.358 ( 2.111 1.113 -2.328) 3.334 13.501 ( -3.702 -3.259 0.205) 4.936 13.632 ( 5.215 4.184 3.202) 7.414 13.751 ( -4.991 -2.502 -5.159) 7.602 14.057 ( 4.409 4.377 4.626) 7.746 14.208 ( -2.777 -5.710 -0.786) 6.398 14.852 ( -5.013 -6.538 -0.771) 8.275 16.867 ( 2.035 3.882 2.813) 5.208 17.052 ( -4.189 1.168 -4.812) 6.486 17.330 ( 6.226 -0.208 -0.774) 6.277 17.436 ( 0.285 1.877 0.905) 2.103 17.592 ( -3.015 -3.434 1.753) 4.895 17.882 ( 3.836 -0.206 0.706) 3.906 18.751 ( -2.122 -0.293 -0.584) 2.220 18.915 ( -1.552 -4.743 -0.977) 5.085 19.111 ( 0.663 3.310 1.008) 3.524 21.187 ( -2.009 3.135 -1.052) 3.869 21.192 ( 1.300 -0.880 0.157) 1.578 21.496 ( -0.494 -2.569 0.745) 2.720 ======================= Grid point 110 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 15.827 0.248 14.390) 21.392 2.910 ( 21.413 5.071 34.816) 41.187 3.503 ( 6.439 -8.704 -4.992) 11.923 3.827 ( -11.817 -8.873 9.460) 17.546 4.364 ( -2.318 6.395 -8.706) 11.048 4.712 ( 11.658 5.068 2.226) 12.905 5.088 ( 2.075 -1.839 -7.224) 7.738 5.243 ( 3.599 -8.152 -0.470) 8.923 5.720 ( 3.073 -3.745 0.324) 4.856 5.898 ( 5.454 -7.723 -4.881) 10.640 6.147 ( 7.876 -2.216 8.278) 11.639 6.392 ( -4.985 -4.012 1.083) 6.490 6.429 ( 4.327 -5.840 2.661) 7.740 6.655 ( 6.623 5.101 3.767) 9.169 6.943 ( -5.168 6.571 4.947) 9.714 7.023 ( 1.375 -0.053 0.150) 1.384 7.413 ( 1.755 0.454 -1.121) 2.131 7.547 ( -3.337 3.649 -0.465) 4.967 7.559 ( -5.868 -0.932 -8.162) 10.096 7.958 ( -7.251 -1.261 -4.904) 8.844 8.090 ( 1.815 3.798 -3.149) 5.257 8.324 ( -6.596 4.360 -4.580) 9.138 8.603 ( -10.412 1.682 2.069) 10.748 8.755 ( -10.504 5.100 -4.698) 12.587 8.876 ( 0.144 -5.908 -2.684) 6.491 9.156 ( 6.130 5.977 2.487) 8.915 9.223 ( -4.896 0.445 2.744) 5.630 9.290 ( 3.813 -0.472 -2.991) 4.869 9.639 ( 1.533 -1.446 -2.952) 3.628 9.923 ( -5.262 0.702 -3.373) 6.289 10.205 ( -4.674 -0.009 0.112) 4.675 10.352 ( 1.499 2.242 -1.977) 3.344 10.443 ( -2.230 -0.465 1.161) 2.556 10.534 ( -0.503 2.095 -0.975) 2.365 11.835 ( 9.277 -3.262 3.427) 10.414 11.929 ( -1.132 1.011 5.024) 5.248 12.437 ( -0.440 -2.518 -2.004) 3.248 12.488 ( 0.373 0.566 -1.469) 1.617 12.771 ( -4.368 -3.599 2.022) 6.010 13.026 ( -1.621 -0.250 2.665) 3.129 13.117 ( 1.932 2.944 -1.601) 3.868 13.330 ( -2.735 5.110 -1.374) 5.957 13.377 ( -0.602 0.194 -1.113) 1.280 13.756 ( 0.651 2.043 1.415) 2.569 13.794 ( 2.154 -2.909 1.111) 3.786 13.979 ( 2.194 -4.349 -3.044) 5.744 14.275 ( 5.023 -2.441 4.122) 6.941 14.901 ( 6.099 -0.108 5.115) 7.961 16.890 ( -1.821 -0.604 -1.530) 2.453 17.064 ( 2.933 -1.273 -1.087) 3.377 17.233 ( -6.293 3.487 -3.966) 8.215 17.493 ( -2.963 -2.660 0.926) 4.088 17.505 ( 0.705 6.369 1.963) 6.702 17.871 ( 3.983 -4.453 -1.458) 6.150 18.843 ( 2.757 -1.762 2.550) 4.148 18.924 ( 4.280 1.194 2.857) 5.283 19.142 ( -0.012 -4.432 -1.269) 4.610 21.096 ( -6.192 6.849 -2.967) 9.699 21.172 ( -0.947 2.381 -0.673) 2.649 21.540 ( 0.662 -2.851 3.402) 4.487 ======================= Grid point 111 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 16.368 6.289 15.660) 23.510 3.423 ( 0.532 -2.302 19.491) 19.634 3.531 ( 3.133 -12.421 -1.755) 12.930 3.717 ( 6.849 -2.739 4.986) 8.903 4.256 ( 1.781 1.899 -3.827) 4.629 4.893 ( 2.817 5.697 -3.780) 7.394 5.010 ( 2.740 -3.351 -8.510) 9.548 5.207 ( -2.576 -6.827 4.362) 8.501 5.679 ( -2.482 -2.823 0.115) 3.761 5.999 ( 13.873 -5.411 -2.635) 15.122 6.200 ( -7.886 -0.419 5.217) 9.464 6.303 ( 5.222 -11.323 -2.308) 12.681 6.553 ( 8.994 -4.220 9.089) 13.465 6.799 ( 0.092 1.712 0.620) 1.823 6.981 ( -1.571 10.251 0.699) 10.394 7.067 ( 6.543 -2.530 -0.902) 7.073 7.298 ( -8.001 -4.437 -6.016) 10.950 7.455 ( 1.239 1.366 3.406) 3.873 7.635 ( 4.591 6.832 -3.014) 8.766 7.814 ( -5.740 -2.697 0.026) 6.343 8.083 ( 2.202 2.193 -10.682) 11.125 8.230 ( -7.447 3.803 1.295) 8.461 8.506 ( -9.526 5.047 2.725) 11.119 8.570 ( -9.348 6.577 -6.407) 13.103 8.855 ( -0.682 -1.361 4.808) 5.043 9.136 ( -6.567 -2.833 1.610) 7.330 9.276 ( 4.444 3.049 -4.341) 6.920 9.394 ( 5.271 4.784 3.350) 7.867 9.616 ( 0.723 0.932 -5.828) 5.946 9.808 ( -4.929 -0.258 -3.218) 5.892 10.120 ( -5.001 -1.907 1.347) 5.519 10.377 ( -2.642 -1.987 0.516) 3.346 10.389 ( 0.641 0.351 -1.242) 1.441 10.549 ( -0.509 4.133 -0.875) 4.255 11.942 ( -1.579 -0.226 2.356) 2.845 11.981 ( 7.055 -0.931 3.209) 7.806 12.396 ( -0.767 -1.738 -0.805) 2.063 12.482 ( 1.780 -3.602 -0.510) 4.050 12.713 ( -1.998 -1.189 2.664) 3.536 12.975 ( -3.698 -1.406 -0.336) 3.971 13.186 ( 2.330 3.875 -1.064) 4.645 13.324 ( -1.344 1.984 -0.366) 2.424 13.374 ( -0.124 2.749 -0.472) 2.792 13.746 ( -3.177 -0.228 -0.664) 3.254 13.816 ( 3.745 -4.329 1.493) 5.916 13.998 ( 3.250 0.308 -0.677) 3.334 14.354 ( 3.891 -3.232 2.879) 5.821 15.013 ( 4.000 -0.345 2.547) 4.755 16.802 ( -5.334 -1.603 -1.526) 5.775 17.072 ( 0.429 -2.868 -2.284) 3.691 17.195 ( -0.523 4.374 2.197) 4.922 17.435 ( -2.331 -0.444 -0.443) 2.414 17.601 ( 1.198 7.197 -0.235) 7.300 17.896 ( 5.304 -4.237 -0.507) 6.807 18.872 ( 2.281 -3.996 1.443) 4.822 19.025 ( 3.604 -0.006 3.103) 4.756 19.083 ( -1.106 -3.214 -1.602) 3.758 21.043 ( -5.648 7.784 -2.411) 9.915 21.173 ( -1.112 2.959 -1.248) 3.399 21.554 ( 1.374 -3.560 2.920) 4.805 ======================= Grid point 112 (58/90) ======================= q-point: (-0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 13.109 -7.823 4.711) 15.976 3.211 ( -9.661 -11.943 2.844) 15.622 3.527 ( -11.423 -2.566 -0.732) 11.730 3.728 ( 12.380 -4.491 2.903) 13.486 4.568 ( 16.167 4.729 5.212) 17.633 4.882 ( 6.378 -0.383 -12.245) 13.812 4.989 ( -3.371 -2.418 3.814) 5.635 5.153 ( -0.749 1.878 0.509) 2.085 5.571 ( -7.858 -6.998 3.309) 11.031 5.988 ( 0.288 -8.664 -16.001) 18.198 6.102 ( -5.532 -2.444 4.810) 7.727 6.300 ( 6.110 -7.514 -0.460) 9.696 6.706 ( -0.404 0.486 5.142) 5.180 6.780 ( 3.023 -0.417 1.355) 3.339 6.963 ( -2.625 -1.549 -3.261) 4.463 7.148 ( 3.120 4.009 -1.000) 5.178 7.260 ( 8.261 -2.103 3.111) 9.075 7.534 ( 3.626 1.793 -3.323) 5.235 7.648 ( -5.704 4.897 -0.016) 7.517 7.810 ( 2.083 1.848 0.844) 2.909 8.053 ( -2.008 4.781 -5.825) 7.799 8.201 ( 0.285 0.677 3.763) 3.834 8.354 ( -9.272 2.794 -2.439) 9.986 8.572 ( -6.037 10.758 6.176) 13.796 8.896 ( -1.437 -0.053 7.994) 8.122 9.028 ( -3.680 -0.683 0.619) 3.794 9.331 ( 6.604 1.185 -6.674) 9.464 9.463 ( -0.327 3.612 -6.711) 7.628 9.649 ( 0.182 6.264 2.315) 6.680 9.721 ( -1.813 -1.295 -0.061) 2.229 10.054 ( -2.451 -2.559 2.191) 4.167 10.297 ( -3.349 -3.827 2.747) 5.781 10.418 ( 1.732 1.857 -1.637) 3.021 10.564 ( -0.914 2.716 -0.756) 2.964 11.919 ( 0.289 -4.413 -0.258) 4.430 12.076 ( 2.048 1.760 1.223) 2.964 12.365 ( -0.972 -2.140 0.777) 2.475 12.472 ( 1.482 -3.381 -0.420) 3.715 12.737 ( 0.899 0.013 4.526) 4.614 12.902 ( -3.064 -0.183 -0.753) 3.161 13.218 ( 0.927 0.709 -2.371) 2.643 13.322 ( -1.876 2.292 1.250) 3.215 13.413 ( 2.573 3.253 -1.313) 4.350 13.676 ( -3.943 -1.424 0.533) 4.226 13.849 ( 2.885 -3.004 0.555) 4.202 14.030 ( 1.810 0.263 -2.440) 3.049 14.380 ( 1.383 -4.148 0.867) 4.458 15.061 ( 2.066 -1.872 -0.324) 2.807 16.710 ( -4.061 -0.359 1.451) 4.328 17.019 ( 0.269 -2.120 -3.771) 4.334 17.282 ( 1.143 2.510 6.711) 7.256 17.397 ( -2.275 0.988 -0.990) 2.671 17.654 ( 0.686 4.979 -3.290) 6.007 17.935 ( 3.356 -2.352 -1.415) 4.335 18.871 ( 2.220 -5.048 0.114) 5.515 19.022 ( -2.146 -0.303 -1.289) 2.522 19.089 ( 2.403 -2.424 1.924) 3.918 21.027 ( -2.722 6.712 -1.024) 7.315 21.172 ( -1.029 3.057 -1.084) 3.403 21.567 ( 1.284 -3.655 2.499) 4.610 ======================= Grid point 113 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -0.463 -38.828 -2.968) 38.944 2.892 ( -12.284 -11.274 -23.420) 28.749 3.666 ( 2.862 16.211 23.632) 28.800 4.003 ( 19.647 -6.329 6.815) 21.737 4.564 ( -10.041 -0.271 -17.674) 20.329 4.841 ( 0.518 -2.841 -9.918) 10.330 4.871 ( -7.196 -4.898 -3.963) 9.564 5.334 ( 4.929 6.347 8.005) 11.343 5.435 ( 0.660 -8.695 7.708) 11.638 5.773 ( 2.131 -7.109 -15.856) 17.507 6.015 ( -3.342 -5.206 2.129) 6.543 6.315 ( 4.045 -5.044 -1.466) 6.630 6.698 ( -6.658 3.313 2.984) 8.013 6.748 ( -2.075 -0.917 -1.400) 2.666 7.051 ( 9.512 2.712 -3.747) 10.577 7.234 ( 1.432 6.541 1.610) 6.887 7.385 ( 6.813 -2.884 -0.452) 7.412 7.549 ( -1.578 4.121 3.255) 5.484 7.639 ( -1.922 2.828 1.091) 3.590 7.771 ( -6.041 1.397 -4.996) 7.963 8.026 ( -3.823 5.031 1.007) 6.398 8.255 ( -2.401 0.240 6.740) 7.159 8.300 ( 1.867 1.610 -1.192) 2.738 8.633 ( -1.956 5.843 8.600) 10.579 8.917 ( -2.376 1.558 4.797) 5.575 9.084 ( 3.032 3.680 5.640) 7.385 9.380 ( 6.000 0.232 -8.153) 10.126 9.430 ( 0.008 4.486 -6.540) 7.931 9.618 ( -3.223 1.238 -0.849) 3.555 9.788 ( -0.742 3.231 4.916) 5.929 10.052 ( 2.597 -2.115 4.101) 5.295 10.269 ( -1.690 -0.304 3.980) 4.334 10.450 ( 2.457 0.175 -0.435) 2.501 10.552 ( -1.894 1.240 -1.366) 2.645 11.861 ( 1.683 -8.877 -2.985) 9.515 12.104 ( -1.513 2.268 -0.311) 2.744 12.337 ( -0.572 -2.572 0.950) 2.801 12.466 ( 0.175 0.408 -0.082) 0.451 12.765 ( -2.075 -1.127 4.589) 5.161 12.909 ( 2.275 1.713 1.811) 3.375 13.200 ( 0.385 -0.829 -3.067) 3.201 13.322 ( -1.738 1.401 0.986) 2.440 13.482 ( 3.121 4.708 -2.835) 6.320 13.618 ( -3.236 -2.300 3.759) 5.467 13.853 ( 1.285 -1.732 -1.541) 2.650 14.016 ( 0.275 -1.518 -3.594) 3.912 14.338 ( -0.788 -4.538 -1.516) 4.849 15.038 ( 0.431 -4.260 -2.994) 5.224 16.709 ( -0.078 1.851 4.214) 4.603 16.993 ( 2.654 -2.020 -2.817) 4.366 17.345 ( -2.308 1.580 -3.154) 4.215 17.380 ( -1.336 1.035 9.254) 9.407 17.674 ( 1.836 2.733 -4.202) 5.339 17.906 ( -2.380 -0.538 -4.021) 4.703 18.859 ( 1.584 -3.838 -0.361) 4.168 18.984 ( -0.534 -0.738 -1.993) 2.191 19.097 ( 0.041 -2.441 1.137) 2.693 21.060 ( 0.822 3.597 0.873) 3.791 21.183 ( -0.403 3.513 -0.443) 3.563 21.565 ( -0.016 -3.454 1.942) 3.963 ======================= Grid point 114 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -0.632 -32.786 -3.189) 32.947 2.379 ( -2.324 -28.729 -19.631) 34.873 3.984 ( -3.965 1.394 12.426) 13.118 4.112 ( -14.416 1.305 -13.437) 19.750 4.305 ( 13.297 -6.155 8.319) 16.849 4.605 ( -5.663 -3.889 -19.430) 20.608 4.814 ( 4.814 0.960 -2.099) 5.339 5.377 ( -0.818 3.917 2.162) 4.548 5.545 ( 0.576 -3.458 3.194) 4.743 5.693 ( 8.046 -2.588 -9.870) 12.995 5.951 ( -1.554 -7.752 5.460) 9.608 6.318 ( 1.800 -0.773 -3.001) 3.583 6.616 ( -8.464 5.271 0.846) 10.007 6.754 ( 1.977 -0.490 -0.470) 2.090 7.078 ( -3.492 2.490 -4.013) 5.874 7.331 ( 1.230 6.531 -3.686) 7.599 7.390 ( -1.209 -0.373 -1.898) 2.281 7.589 ( -5.817 0.118 4.289) 7.228 7.685 ( -1.089 4.232 -4.947) 6.600 7.716 ( 5.714 7.474 11.295) 14.700 7.997 ( -5.088 1.776 1.472) 5.587 8.302 ( 4.602 -3.983 5.690) 8.331 8.378 ( 5.502 0.138 2.348) 5.983 8.776 ( 2.625 7.703 6.380) 10.341 8.922 ( -4.398 1.062 4.299) 6.241 9.209 ( 3.328 1.546 2.356) 4.361 9.380 ( -0.189 -0.976 -2.968) 3.130 9.408 ( -0.400 2.617 -3.763) 4.601 9.626 ( 2.826 5.148 -3.969) 7.088 9.804 ( -3.318 1.295 4.690) 5.889 10.157 ( 4.266 -0.373 6.093) 7.447 10.293 ( 0.305 1.877 2.364) 3.034 10.493 ( 2.507 -0.944 1.531) 3.086 10.507 ( -2.539 0.947 -2.493) 3.682 11.766 ( 1.922 -9.839 -4.858) 11.140 12.048 ( -4.050 -3.264 -1.414) 5.390 12.341 ( 2.148 0.570 0.147) 2.227 12.486 ( -1.198 4.144 1.572) 4.592 12.765 ( -1.966 -0.007 4.403) 4.822 12.973 ( 1.225 0.319 2.310) 2.634 13.180 ( 0.360 0.530 -1.700) 1.817 13.309 ( 0.373 -0.875 -1.439) 1.725 13.539 ( 1.156 6.410 -2.508) 6.979 13.590 ( -2.307 -4.963 5.532) 7.782 13.840 ( 1.193 -3.258 -3.413) 4.867 13.968 ( -0.416 1.755 -2.501) 3.083 14.262 ( -0.938 -4.809 -2.690) 5.590 14.949 ( -0.962 -6.654 -4.735) 8.223 16.799 ( 2.228 3.913 4.896) 6.652 17.020 ( 5.643 -2.570 -1.789) 6.454 17.274 ( -4.384 1.273 -1.188) 4.717 17.447 ( -0.641 1.519 5.813) 6.042 17.675 ( -0.189 -1.217 -2.480) 2.769 17.823 ( -1.822 1.935 -4.497) 5.224 18.837 ( -1.272 -1.676 -0.351) 2.133 18.945 ( -0.012 -2.879 -2.617) 3.890 19.083 ( 0.222 -0.743 -0.127) 0.786 21.121 ( 2.631 0.165 2.072) 3.353 21.213 ( -0.127 3.708 0.203) 3.716 21.537 ( -1.522 -2.952 1.435) 3.619 ======================= Grid point 115 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.190 -30.585 -16.888) 34.938 2.128 ( 7.380 -36.826 10.166) 38.910 3.699 ( -2.153 -3.064 -14.061) 14.551 4.079 ( -11.270 -4.080 11.541) 16.639 4.244 ( -6.046 1.973 -17.541) 18.659 4.562 ( 9.804 -7.407 4.777) 13.183 4.942 ( 8.438 2.317 -2.198) 9.022 5.447 ( 2.588 7.025 -9.194) 11.857 5.484 ( -3.771 -4.063 7.564) 9.378 5.731 ( 2.965 2.092 -1.923) 4.107 5.943 ( 5.811 -5.032 0.302) 7.693 6.303 ( -1.976 3.565 -1.907) 4.500 6.544 ( -7.273 6.001 -1.651) 9.573 6.758 ( 0.435 -3.284 1.161) 3.511 6.975 ( -6.382 -0.522 -1.668) 6.617 7.246 ( -11.712 -0.963 4.511) 12.588 7.416 ( 0.079 8.894 -1.523) 9.024 7.594 ( 0.026 -0.842 3.027) 3.142 7.682 ( 2.148 3.547 -5.610) 6.976 7.951 ( -2.484 4.524 1.380) 5.343 8.027 ( 10.995 5.703 7.415) 14.436 8.373 ( 4.759 -2.937 -0.065) 5.593 8.511 ( 5.909 -1.041 6.427) 8.792 8.858 ( -7.717 3.199 1.701) 8.525 8.938 ( 4.123 1.364 4.925) 6.567 9.213 ( -4.394 0.513 -0.503) 4.453 9.295 ( -1.678 -2.018 -4.428) 5.147 9.432 ( 0.424 0.946 -1.488) 1.814 9.686 ( 4.011 3.305 -5.221) 7.367 9.837 ( -1.623 3.739 7.838) 8.835 10.228 ( -0.714 1.487 2.802) 3.252 10.353 ( 2.957 0.404 0.926) 3.125 10.461 ( -2.071 2.821 -2.062) 4.062 10.528 ( 1.279 -2.193 2.194) 3.356 11.680 ( 3.366 -8.377 -4.055) 9.897 11.925 ( -3.793 -5.462 -0.884) 6.708 12.396 ( 3.324 1.772 -1.812) 4.180 12.532 ( -2.339 6.637 3.750) 7.974 12.770 ( -1.298 -0.113 3.171) 3.428 12.985 ( -1.037 -0.332 0.642) 1.264 13.192 ( -0.355 -0.246 2.971) 3.002 13.304 ( 2.463 0.545 -4.213) 4.911 13.539 ( -3.247 -5.573 4.726) 7.996 13.617 ( 3.645 5.958 -1.143) 7.077 13.746 ( -2.878 -2.798 -4.197) 5.807 14.030 ( 4.588 2.573 -1.146) 5.384 14.179 ( -0.921 -4.804 -1.244) 5.047 14.815 ( -1.765 -8.296 -4.430) 9.569 16.903 ( 1.429 3.210 3.989) 5.316 17.041 ( 0.969 -0.550 -5.343) 5.458 17.268 ( 2.000 0.897 3.518) 4.144 17.476 ( -1.623 2.098 0.770) 2.762 17.617 ( -1.920 -3.054 1.544) 3.924 17.824 ( 2.580 1.233 -2.855) 4.041 18.779 ( -3.087 -0.756 -1.561) 3.541 18.889 ( -0.984 -3.384 -1.142) 3.705 19.105 ( 2.694 1.225 -0.862) 3.082 21.165 ( 1.591 -1.622 1.194) 2.566 21.238 ( -1.232 2.985 0.383) 3.252 21.502 ( -1.384 -1.902 2.030) 3.107 ======================= Grid point 118 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 23.261 -8.887 11.575) 27.460 2.527 ( 37.931 -7.695 -0.512) 38.707 3.395 ( 14.711 -10.695 18.937) 26.256 4.083 ( -15.093 -9.899 14.802) 23.343 4.336 ( 7.191 13.009 -1.786) 14.971 4.557 ( 6.315 -0.705 -6.741) 9.263 4.955 ( -0.794 -2.329 -12.242) 12.487 5.214 ( 0.478 2.234 6.813) 7.186 5.593 ( 3.494 0.597 -0.157) 3.549 5.767 ( 0.159 -4.564 -7.808) 9.045 6.067 ( 5.858 -4.114 1.623) 7.340 6.236 ( 5.567 -4.636 0.534) 7.265 6.575 ( -11.418 -3.126 2.700) 12.142 6.654 ( 5.213 5.128 5.518) 9.161 7.025 ( -1.459 0.610 1.408) 2.118 7.178 ( -6.806 9.637 4.922) 12.783 7.383 ( -0.518 -1.863 -0.896) 2.132 7.564 ( -4.748 -1.976 -1.789) 5.445 7.697 ( -6.215 4.409 0.283) 7.625 8.024 ( -6.644 -0.089 -4.505) 8.028 8.062 ( -2.296 0.702 -7.589) 7.960 8.373 ( 1.263 1.625 -2.412) 3.170 8.584 ( 4.200 -3.190 -7.444) 9.123 8.884 ( -10.888 2.548 -4.547) 12.071 8.990 ( -3.396 1.960 2.624) 4.718 9.163 ( 2.635 6.622 3.888) 8.118 9.218 ( 1.803 -1.502 1.907) 3.024 9.334 ( -3.641 0.505 4.333) 5.682 9.613 ( -1.880 0.199 -0.938) 2.110 9.963 ( -4.600 0.150 -6.044) 7.597 10.263 ( -2.147 1.331 -1.429) 2.902 10.337 ( 0.262 0.623 -0.895) 1.121 10.455 ( -0.749 -2.349 0.914) 2.630 10.547 ( 0.827 2.422 -1.628) 3.033 11.660 ( 10.849 -3.434 2.752) 11.707 11.961 ( 2.922 -2.161 4.600) 5.862 12.378 ( 1.327 -1.709 -2.133) 3.038 12.547 ( -6.183 3.803 -3.035) 7.868 12.833 ( -4.916 -1.862 -0.047) 5.257 13.047 ( -0.624 -3.181 -1.200) 3.456 13.118 ( 1.460 5.562 2.150) 6.139 13.317 ( 0.646 -1.832 -2.784) 3.394 13.472 ( -3.641 5.731 2.106) 7.108 13.694 ( 3.237 -6.455 2.555) 7.660 13.789 ( 0.179 0.399 -4.238) 4.260 13.909 ( 1.922 1.105 1.505) 2.679 14.196 ( 5.267 -2.285 2.355) 6.205 14.811 ( 8.686 -2.934 5.153) 10.516 16.914 ( -1.633 2.398 -1.238) 3.154 16.995 ( 2.361 -1.353 -1.611) 3.162 17.300 ( -3.351 2.507 -4.227) 5.948 17.519 ( -2.979 -4.099 1.282) 5.227 17.595 ( -0.671 4.615 3.844) 6.044 17.776 ( 2.230 -1.257 -2.027) 3.265 18.811 ( 1.357 -2.006 1.918) 3.090 18.889 ( 3.384 0.682 1.401) 3.725 19.084 ( 1.575 -2.773 -0.522) 3.231 21.168 ( 0.757 2.019 -1.447) 2.597 21.220 ( -4.278 1.899 -0.294) 4.690 21.548 ( -0.833 -1.365 1.278) 2.047 ======================= Grid point 119 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 25.353 -5.567 9.268) 27.562 2.944 ( 34.685 -12.953 -13.047) 39.257 3.573 ( -7.823 -9.573 14.149) 18.789 3.968 ( -10.244 -0.217 20.815) 23.200 4.210 ( -2.483 -4.835 -8.719) 10.275 4.773 ( 8.145 2.523 -11.078) 13.980 4.933 ( 6.604 8.151 -0.139) 10.491 5.268 ( -4.083 -0.753 8.095) 9.097 5.639 ( 6.599 -1.614 -6.399) 9.332 5.714 ( 2.371 -3.420 0.268) 4.171 6.099 ( 5.582 -5.804 -1.578) 8.205 6.355 ( 12.020 -3.705 2.439) 12.812 6.420 ( -8.854 -2.830 3.766) 10.029 6.800 ( 1.865 2.052 -0.669) 2.852 6.988 ( 0.213 -3.033 -0.512) 3.083 7.177 ( -8.038 7.156 2.622) 11.077 7.320 ( -4.127 -6.873 -1.826) 8.222 7.536 ( -2.878 3.659 7.874) 9.147 7.617 ( 0.067 2.408 -3.520) 4.266 7.883 ( -5.803 -0.623 -1.861) 6.126 8.014 ( 1.619 8.081 -8.233) 11.649 8.358 ( -4.769 1.018 -0.280) 4.885 8.574 ( 0.245 1.078 -4.840) 4.964 8.729 ( -7.076 6.542 -1.779) 9.800 8.979 ( -2.101 2.708 1.874) 3.907 9.155 ( -2.366 -3.129 -0.313) 3.935 9.283 ( -3.627 -2.830 3.428) 5.737 9.393 ( 3.900 4.475 4.770) 7.615 9.600 ( 0.034 4.320 -0.328) 4.332 9.837 ( -4.008 0.032 -6.176) 7.363 10.191 ( -4.913 -1.476 0.143) 5.132 10.364 ( 1.353 2.035 -2.043) 3.186 10.407 ( -2.780 -2.535 1.274) 3.972 10.567 ( 0.910 2.185 -1.772) 2.957 11.816 ( 8.378 -3.391 1.757) 9.207 11.999 ( 1.672 -2.412 2.674) 3.971 12.380 ( 0.953 0.231 -0.049) 0.982 12.463 ( -3.580 0.352 -2.632) 4.458 12.761 ( -2.474 -0.486 0.817) 2.650 12.998 ( -1.525 -1.891 -1.121) 2.676 13.189 ( 0.577 4.086 -0.907) 4.226 13.302 ( 1.491 -1.610 0.242) 2.207 13.471 ( -4.439 5.366 1.394) 7.102 13.697 ( 3.956 -4.276 -4.312) 7.247 13.760 ( 0.099 -4.816 4.159) 6.364 13.988 ( 1.579 5.737 -0.314) 5.958 14.270 ( 4.882 -3.387 1.461) 6.119 14.933 ( 6.103 -3.856 2.534) 7.650 16.863 ( -4.020 2.383 -3.194) 5.660 17.030 ( 1.140 -3.417 3.273) 4.867 17.251 ( -1.205 4.371 -1.933) 4.929 17.455 ( -2.078 -1.377 -0.591) 2.562 17.651 ( 0.189 2.273 0.631) 2.367 17.807 ( 3.134 1.281 0.126) 3.388 18.811 ( 1.314 -4.551 0.733) 4.794 18.958 ( 4.409 -2.068 0.831) 4.941 19.082 ( -0.568 0.542 0.073) 0.789 21.157 ( -4.360 3.185 -0.666) 5.440 21.192 ( 0.073 0.901 -0.802) 1.208 21.535 ( 0.297 -2.034 0.813) 2.210 ======================= Grid point 120 (64/90) ======================= q-point: (-0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 12.890 -23.527 1.430) 26.865 3.213 ( 28.671 -20.872 -8.445) 36.456 3.379 ( -11.857 0.649 -0.186) 11.876 3.723 ( -11.481 0.907 -4.442) 12.344 4.450 ( 13.408 -2.073 18.755) 23.148 4.715 ( -1.064 -0.777 -14.108) 14.170 5.087 ( -0.408 8.682 0.335) 8.698 5.234 ( -4.766 0.263 8.451) 9.706 5.598 ( -2.275 -1.118 -6.914) 7.364 5.760 ( 3.955 -4.661 -4.820) 7.784 6.123 ( 4.739 -2.344 -3.993) 6.626 6.245 ( -7.580 -9.885 2.890) 12.788 6.586 ( 15.499 0.104 0.200) 15.501 6.757 ( -1.727 -1.339 -2.877) 3.613 6.947 ( -0.714 -4.483 -2.941) 5.409 7.153 ( -5.405 8.642 -0.538) 10.207 7.186 ( 2.880 -6.428 0.800) 7.089 7.604 ( -1.692 6.425 7.100) 9.724 7.725 ( 3.123 4.119 0.401) 5.185 7.814 ( -2.537 2.908 -1.368) 4.094 8.102 ( 1.037 7.541 2.618) 8.049 8.279 ( -3.950 2.445 3.841) 6.028 8.484 ( -7.241 0.603 -3.158) 7.923 8.759 ( -1.146 6.728 3.524) 7.681 9.007 ( -1.701 2.284 3.041) 4.166 9.067 ( -1.820 -2.867 -1.491) 3.709 9.233 ( -1.544 -1.462 0.233) 2.139 9.429 ( 0.651 2.612 -6.402) 6.945 9.729 ( -2.768 0.327 -2.329) 3.632 9.738 ( 2.464 6.284 6.220) 9.179 10.110 ( -4.596 -0.882 1.502) 4.915 10.324 ( -2.368 -4.076 2.573) 5.371 10.406 ( 0.492 2.502 -1.613) 3.017 10.580 ( 0.369 1.098 -1.359) 1.785 11.833 ( 0.903 -6.965 -2.112) 7.334 12.059 ( 4.488 -0.929 1.034) 4.698 12.373 ( -1.956 -2.406 0.547) 3.149 12.437 ( 0.924 3.369 -0.437) 3.521 12.770 ( 0.610 1.253 3.394) 3.669 12.943 ( -2.729 -0.957 -0.263) 2.904 13.192 ( -0.022 0.034 -2.816) 2.816 13.342 ( 2.171 2.082 0.964) 3.158 13.455 ( -3.558 2.226 1.740) 4.544 13.679 ( 1.279 -1.859 -2.871) 3.652 13.769 ( 2.161 -5.396 3.436) 6.752 14.025 ( -0.837 5.399 -4.477) 7.064 14.306 ( 3.160 -4.792 0.263) 5.746 14.973 ( 3.592 -5.539 -1.028) 6.681 16.801 ( -4.339 3.085 -0.713) 5.372 16.997 ( -2.426 -3.679 1.868) 4.787 17.321 ( 2.358 3.309 2.945) 5.018 17.421 ( -0.611 1.048 -0.819) 1.464 17.649 ( 0.191 -0.944 -2.053) 2.268 17.886 ( 2.774 4.291 -0.816) 5.174 18.790 ( 1.516 -4.356 -0.848) 4.690 18.999 ( 3.055 -2.695 -0.533) 4.108 19.070 ( -1.381 0.106 0.318) 1.421 21.112 ( -3.695 1.844 0.373) 4.146 21.198 ( -0.037 1.615 -0.477) 1.684 21.537 ( 1.308 -2.140 1.056) 2.721 ======================= Grid point 121 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -1.106 -39.906 0.199) 39.922 2.831 ( -17.375 -17.408 -24.477) 34.699 3.528 ( 23.564 -12.726 -6.373) 27.529 3.895 ( 8.606 15.693 15.496) 23.674 4.437 ( -5.166 -13.614 -18.663) 23.672 4.670 ( 4.227 -1.568 -0.665) 4.557 5.059 ( -10.938 2.508 2.000) 11.399 5.368 ( 5.245 4.512 12.263) 14.080 5.470 ( -2.297 0.916 -12.150) 12.399 5.620 ( -5.493 -6.617 -0.652) 8.625 6.056 ( -3.513 -1.008 -2.316) 4.327 6.199 ( 3.637 -5.225 -0.462) 6.383 6.702 ( 0.993 -0.619 -3.503) 3.693 6.829 ( 12.112 3.877 -2.576) 12.975 6.889 ( -0.737 -0.369 -1.417) 1.639 7.149 ( 0.337 5.721 -1.900) 6.037 7.295 ( 6.475 -0.235 4.003) 7.616 7.657 ( -1.696 0.314 -1.474) 2.269 7.750 ( -4.384 8.078 4.232) 10.119 7.847 ( 2.561 3.143 2.308) 4.666 8.143 ( -5.638 4.988 3.626) 8.356 8.316 ( -5.027 0.978 -0.536) 5.150 8.418 ( -2.629 0.756 11.048) 11.382 8.779 ( -3.920 -1.702 8.492) 9.507 9.004 ( 0.127 5.116 -0.243) 5.123 9.095 ( 2.909 3.010 -2.748) 5.007 9.225 ( 2.392 0.022 -1.677) 2.922 9.415 ( 1.073 3.587 -6.289) 7.319 9.652 ( -1.647 -0.979 -0.701) 2.040 9.901 ( -0.328 6.096 7.049) 9.325 10.063 ( -1.907 -0.892 3.954) 4.479 10.311 ( -0.152 -1.419 4.429) 4.653 10.415 ( 0.869 0.158 -0.919) 1.274 10.570 ( -0.833 -0.067 -1.407) 1.637 11.733 ( -0.227 -8.888 -3.983) 9.742 12.087 ( 1.870 -3.066 -3.126) 4.761 12.330 ( -0.765 -2.087 0.419) 2.262 12.502 ( -0.048 6.561 2.150) 6.905 12.832 ( -0.556 -0.453 6.610) 6.649 12.921 ( 0.387 2.516 0.812) 2.672 13.157 ( -0.061 -1.314 -3.066) 3.336 13.391 ( -2.017 2.348 1.025) 3.260 13.449 ( 1.773 1.442 -0.496) 2.339 13.658 ( -0.849 -2.783 2.658) 3.940 13.772 ( 2.446 -4.029 -1.639) 4.991 13.998 ( -1.569 3.866 -5.860) 7.194 14.281 ( 0.436 -5.275 -1.913) 5.628 14.929 ( 1.775 -7.564 -4.693) 9.076 16.785 ( -2.048 3.569 2.450) 4.789 16.953 ( -1.267 -2.106 1.381) 2.819 17.350 ( -0.708 0.692 -1.930) 2.169 17.473 ( 0.647 0.672 7.382) 7.441 17.624 ( 1.339 -0.329 -3.814) 4.056 17.922 ( -1.307 4.847 -4.586) 6.799 18.776 ( 2.595 -2.814 -1.747) 4.208 18.982 ( -1.362 0.255 -3.233) 3.517 19.063 ( 1.375 -4.085 1.823) 4.680 21.088 ( -1.283 -0.108 1.692) 2.126 21.216 ( 0.052 2.411 0.498) 2.462 21.548 ( 0.973 -2.174 1.455) 2.792 ======================= Grid point 122 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 1.553 -42.530 4.420) 42.787 2.143 ( -17.421 -21.310 -26.485) 38.197 3.514 ( 14.202 -32.880 -27.736) 45.300 4.189 ( 5.532 0.200 -7.422) 9.259 4.297 ( 3.667 7.960 17.600) 19.661 4.593 ( -5.454 0.007 -11.293) 12.541 4.875 ( -11.220 -0.634 4.687) 12.176 5.384 ( 3.229 5.290 -14.297) 15.583 5.560 ( -1.588 0.836 3.158) 3.632 5.569 ( 2.532 -1.695 11.876) 12.261 5.972 ( -3.581 -5.667 2.881) 7.297 6.228 ( 5.682 1.249 -4.273) 7.219 6.680 ( 1.882 -0.882 -5.982) 6.332 6.822 ( -8.597 7.464 -0.463) 11.395 7.025 ( 8.080 2.998 -3.684) 9.372 7.246 ( 6.976 7.522 -3.303) 10.778 7.380 ( 0.480 0.896 2.723) 2.907 7.630 ( -0.017 -0.508 -0.574) 0.767 7.782 ( -3.599 6.177 1.026) 7.222 7.949 ( -4.502 9.694 9.517) 14.312 8.109 ( -1.276 0.193 1.718) 2.149 8.291 ( -2.963 -6.212 2.968) 7.495 8.362 ( -4.151 -3.516 9.410) 10.869 8.871 ( 0.971 0.956 11.442) 11.523 9.060 ( -3.324 8.188 0.589) 8.857 9.137 ( 7.235 0.596 -5.382) 9.037 9.245 ( 2.774 -1.672 -3.665) 4.891 9.418 ( 0.761 2.568 -3.505) 4.412 9.657 ( -0.459 3.913 0.595) 3.985 9.935 ( -4.357 2.454 5.873) 7.713 10.145 ( 3.856 1.003 7.087) 8.130 10.335 ( -1.038 -0.094 2.703) 2.897 10.439 ( 3.117 -1.248 0.972) 3.495 10.532 ( -1.498 -0.765 -1.563) 2.296 11.609 ( 0.468 -9.260 -5.178) 10.620 12.011 ( -0.701 -6.503 -5.157) 8.329 12.329 ( 0.769 0.605 0.797) 1.262 12.579 ( -1.370 7.842 2.834) 8.451 12.856 ( -2.484 0.766 6.174) 6.699 12.990 ( 0.979 1.523 3.693) 4.113 13.131 ( 2.114 -0.018 -3.650) 4.219 13.338 ( -4.875 -0.574 0.306) 4.918 13.515 ( 4.650 2.563 -3.150) 6.174 13.642 ( -2.608 -5.203 6.992) 9.097 13.754 ( 1.922 -1.660 -3.406) 4.248 13.963 ( -0.447 3.616 -5.227) 6.371 14.203 ( -0.781 -4.768 -3.718) 6.096 14.820 ( 1.051 -9.341 -7.192) 11.836 16.847 ( 1.766 3.708 4.255) 5.914 16.943 ( 0.547 -1.516 1.055) 1.926 17.317 ( -1.794 0.279 -1.220) 2.188 17.525 ( -1.283 -1.747 7.110) 7.434 17.633 ( 2.205 1.119 -2.916) 3.824 17.855 ( -4.767 4.076 -7.232) 9.573 18.795 ( 3.414 -0.714 -1.518) 3.804 18.922 ( -2.225 -0.855 -3.227) 4.012 19.056 ( 0.848 -3.522 0.518) 3.660 21.099 ( 1.363 -2.028 2.720) 3.656 21.252 ( 0.134 2.960 1.528) 3.334 21.547 ( -0.524 -2.144 1.910) 2.919 ======================= Grid point 123 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -5.860 -30.107 -18.698) 35.922 1.730 ( 9.003 -39.968 11.164) 42.464 3.108 ( 16.682 -35.165 -35.224) 52.494 4.299 ( -9.247 2.810 -1.658) 9.805 4.369 ( -0.192 2.254 -4.028) 4.619 4.399 ( -0.735 -3.270 7.786) 8.477 4.913 ( 1.707 5.569 6.487) 8.718 5.373 ( 1.721 6.607 -12.807) 14.513 5.617 ( -3.471 -1.293 9.684) 10.368 5.629 ( 6.873 -0.785 0.519) 6.937 5.898 ( -2.950 -4.189 2.110) 5.541 6.291 ( 4.088 3.844 -7.022) 8.989 6.658 ( 3.015 -1.362 -2.749) 4.301 6.736 ( -10.666 8.129 -1.327) 13.476 7.089 ( -2.140 4.813 -0.391) 5.282 7.334 ( -1.191 1.568 0.064) 1.970 7.456 ( 3.455 9.097 -3.084) 10.208 7.595 ( -2.021 -0.136 -0.289) 2.046 7.810 ( -3.834 5.980 3.958) 8.132 8.041 ( -6.286 0.982 5.398) 8.343 8.075 ( 0.733 4.189 5.611) 7.040 8.248 ( 5.049 -8.647 2.380) 10.292 8.466 ( 6.004 0.324 8.163) 10.139 8.917 ( -0.008 -7.733 4.388) 8.891 9.041 ( -5.876 6.276 -1.413) 8.712 9.220 ( 2.095 0.723 -4.415) 4.941 9.254 ( 2.410 2.977 1.286) 4.040 9.402 ( -0.763 0.225 -3.312) 3.406 9.686 ( -0.931 5.007 -0.545) 5.122 9.973 ( -2.063 3.654 7.370) 8.481 10.262 ( 2.295 0.543 4.942) 5.476 10.325 ( 0.010 -1.070 0.305) 1.113 10.474 ( 0.484 0.811 -2.627) 2.791 10.512 ( 1.097 -2.093 3.010) 3.827 11.505 ( 2.741 -8.469 -4.923) 10.173 11.889 ( -0.983 -7.076 -3.600) 8.000 12.363 ( 1.503 1.852 -0.622) 2.465 12.666 ( -0.707 8.693 4.690) 9.903 12.862 ( -4.812 1.434 4.461) 6.717 13.007 ( -1.319 -0.841 1.589) 2.230 13.183 ( 5.718 2.468 -2.431) 6.685 13.263 ( -3.210 -2.139 1.160) 4.028 13.535 ( 1.085 -5.694 -3.107) 6.576 13.623 ( -0.824 0.556 4.486) 4.595 13.747 ( -1.033 1.170 0.439) 1.621 13.965 ( 2.061 2.550 -5.857) 6.712 14.128 ( 0.493 -3.489 -2.528) 4.337 14.683 ( 1.270 -10.139 -7.092) 12.438 16.944 ( -0.000 0.207 3.183) 3.190 16.964 ( 4.029 2.159 -1.081) 4.697 17.304 ( -0.391 -0.268 4.221) 4.247 17.534 ( -2.541 0.928 1.110) 2.924 17.622 ( -0.831 -1.554 -0.402) 1.807 17.782 ( 0.037 2.126 -5.134) 5.557 18.805 ( -2.164 -0.048 -1.726) 2.768 18.863 ( 0.239 -1.337 -1.247) 1.844 19.048 ( 2.284 -1.582 -1.536) 3.175 21.129 ( 2.087 -2.695 2.013) 3.959 21.291 ( -0.820 3.088 1.880) 3.708 21.532 ( -1.368 -1.579 2.914) 3.586 ======================= Grid point 151 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.000 -0.000 38.763) 38.763 2.140 ( 0.000 -0.000 38.763) 38.763 3.176 ( 0.000 -0.000 32.981) 32.981 4.176 ( 0.000 -0.000 17.014) 17.014 4.459 ( 0.000 0.000 -0.100) 0.100 4.459 ( 0.000 0.000 -0.100) 0.100 5.294 ( -0.000 0.000 -2.775) 2.775 5.294 ( -0.000 0.000 -2.775) 2.775 5.458 ( 0.000 -0.000 7.740) 7.740 5.916 ( 0.000 -0.000 5.650) 5.650 5.916 ( 0.000 -0.000 5.650) 5.650 6.344 ( 0.000 -0.000 3.318) 3.318 6.973 ( 0.000 -0.000 1.734) 1.734 6.973 ( 0.000 -0.000 1.734) 1.734 7.337 ( -0.000 0.000 -0.926) 0.926 7.415 ( -0.000 0.000 -0.213) 0.213 7.415 ( -0.000 -0.000 -0.213) 0.213 7.506 ( -0.000 0.000 -5.347) 5.347 7.703 ( -0.000 0.000 -12.277) 12.277 7.703 ( -0.000 0.000 -12.277) 12.277 8.000 ( -0.000 0.000 -6.517) 6.517 8.000 ( -0.000 0.000 -6.517) 6.517 8.143 ( -0.000 0.000 -1.054) 1.054 8.424 ( 0.000 -0.000 3.754) 3.754 9.145 ( -0.000 0.000 -3.993) 3.993 9.145 ( -0.000 0.000 -3.993) 3.993 9.308 ( -0.000 0.000 -0.640) 0.640 9.308 ( -0.000 0.000 -0.640) 0.640 9.861 ( -0.000 0.000 -8.533) 8.533 9.940 ( 0.000 -0.000 1.969) 1.969 9.940 ( 0.000 -0.000 1.969) 1.969 10.052 ( -0.000 0.000 -13.564) 13.564 10.455 ( 0.000 -0.000 1.546) 1.546 10.455 ( 0.000 -0.000 1.546) 1.546 11.589 ( 0.000 -0.000 3.616) 3.616 12.058 ( 0.000 -0.000 13.315) 13.315 12.638 ( -0.000 0.000 -8.391) 8.391 12.800 ( -0.000 0.000 -0.899) 0.899 12.800 ( -0.000 0.000 -0.899) 0.899 13.093 ( -0.000 0.000 -3.327) 3.327 13.093 ( -0.000 0.000 -3.327) 3.327 13.121 ( -0.000 0.000 -3.694) 3.694 13.312 ( 0.000 -0.000 2.342) 2.342 13.312 ( 0.000 -0.000 2.342) 2.342 14.153 ( 0.000 -0.000 0.969) 0.969 14.342 ( 0.000 -0.000 9.131) 9.131 14.342 ( 0.000 -0.000 9.131) 9.131 14.604 ( 0.000 -0.000 5.926) 5.926 16.969 ( -0.000 0.000 -1.910) 1.910 16.969 ( -0.000 0.000 -1.910) 1.910 16.992 ( 0.000 -0.000 1.865) 1.865 17.483 ( -0.000 0.000 -3.443) 3.443 17.483 ( -0.000 0.000 -3.443) 3.443 18.943 ( 0.000 -0.000 3.161) 3.161 18.943 ( 0.000 -0.000 3.161) 3.161 19.063 ( 0.000 -0.000 4.072) 4.072 19.063 ( 0.000 -0.000 4.072) 4.072 19.696 ( -0.000 0.000 -1.893) 1.893 21.103 ( -0.000 0.000 -1.795) 1.795 21.644 ( 0.000 -0.000 5.374) 5.374 ======================= Grid point 152 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -7.991 -9.251 37.706) 39.639 2.648 ( 0.315 8.677 38.584) 39.549 3.460 ( 9.287 2.590 8.695) 12.983 4.176 ( -7.952 -15.170 10.547) 20.115 4.367 ( -8.815 9.021 -0.645) 12.630 4.783 ( 15.668 7.548 17.603) 24.746 5.094 ( -9.053 -4.107 -2.420) 10.231 5.282 ( 3.674 -6.064 -3.438) 7.879 5.644 ( 6.943 3.874 4.384) 9.080 5.833 ( -6.221 3.397 8.104) 10.766 6.174 ( 8.742 4.219 4.533) 10.713 6.387 ( 3.341 -0.788 1.612) 3.792 6.769 ( -9.908 -3.548 3.297) 11.029 7.071 ( -6.439 -3.985 0.130) 7.573 7.243 ( -6.953 -4.822 -4.515) 9.591 7.320 ( -1.772 -4.006 1.302) 4.570 7.373 ( -1.717 -2.546 1.565) 3.447 7.486 ( -5.934 -2.728 -9.856) 11.824 7.579 ( 7.592 2.606 -5.857) 9.936 7.762 ( 4.090 11.165 -12.740) 17.427 7.943 ( 1.344 -1.935 -8.251) 8.581 7.995 ( 5.661 2.844 -2.853) 6.948 8.131 ( 2.732 0.835 -4.871) 5.647 8.465 ( 0.758 0.712 3.735) 3.877 9.087 ( -0.081 0.208 -6.343) 6.347 9.138 ( 0.838 1.337 -2.178) 2.690 9.250 ( -1.367 -1.275 -1.657) 2.498 9.359 ( 0.472 1.151 -2.154) 2.488 9.750 ( -0.659 -2.016 -3.456) 4.055 9.850 ( -3.469 -0.300 -8.303) 9.004 10.036 ( 5.702 -0.012 2.680) 6.300 10.057 ( 4.375 3.838 -3.380) 6.730 10.428 ( -0.805 -2.145 0.402) 2.326 10.501 ( 1.041 2.280 0.241) 2.518 11.646 ( 2.569 1.520 3.985) 4.979 12.147 ( -2.461 -1.213 10.862) 11.203 12.544 ( -2.240 -1.593 -5.362) 6.026 12.700 ( -5.250 -3.039 0.066) 6.067 12.872 ( 4.140 -1.126 0.641) 4.338 12.991 ( -7.704 7.665 -1.797) 11.015 13.041 ( 1.741 -5.201 -2.514) 6.034 13.144 ( 2.035 -0.321 -2.815) 3.488 13.344 ( 0.855 2.013 1.317) 2.553 13.415 ( 7.382 1.530 -0.113) 7.540 14.130 ( -3.395 -1.737 1.929) 4.274 14.271 ( -9.346 -3.216 5.522) 11.322 14.397 ( -1.298 -1.506 7.887) 8.133 14.773 ( 6.709 3.172 6.466) 9.843 16.927 ( 1.354 -4.661 -1.640) 5.123 16.984 ( -0.390 7.320 -2.826) 7.856 17.046 ( 3.143 -0.509 2.192) 3.866 17.427 ( 0.286 -2.957 -2.846) 4.114 17.484 ( 0.115 2.927 -3.382) 4.474 18.615 ( -24.801 -9.583 3.951) 26.880 18.953 ( -1.082 -1.091 2.950) 3.327 19.008 ( -2.623 -3.236 5.133) 6.611 19.153 ( 2.944 0.439 3.208) 4.376 20.123 ( 28.415 15.421 -6.034) 32.888 21.095 ( 0.656 0.371 -1.681) 1.842 21.671 ( -1.954 -0.874 5.179) 5.604 ======================= Grid point 153 (70/90) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -7.219 -4.494 31.560) 32.686 2.991 ( -3.141 2.829 35.849) 36.098 3.703 ( 8.697 6.832 6.829) 12.998 3.927 ( -11.796 -15.996 1.720) 19.949 4.283 ( -5.042 7.694 -7.151) 11.651 4.818 ( -8.393 -9.439 4.093) 13.277 5.195 ( 1.410 -5.429 -6.932) 8.917 5.361 ( 9.489 8.763 11.227) 17.114 5.701 ( -0.090 -4.652 1.718) 4.960 5.974 ( 1.091 14.837 11.394) 18.739 6.311 ( 7.198 -3.476 1.477) 8.129 6.385 ( -3.713 -8.504 0.690) 9.305 6.680 ( -8.834 -2.573 -0.004) 9.201 6.870 ( -2.264 -0.325 1.583) 2.782 6.992 ( -20.739 -8.489 1.999) 22.498 7.142 ( -6.680 -7.306 0.453) 9.910 7.380 ( 1.784 -1.111 -2.446) 3.224 7.397 ( 0.660 3.432 1.007) 3.637 7.560 ( 1.366 2.440 -14.768) 15.031 7.840 ( 2.779 0.368 -6.899) 7.446 7.940 ( 7.935 5.702 -5.380) 11.155 8.103 ( 9.232 -0.889 -6.356) 11.244 8.243 ( 9.534 9.313 -0.545) 13.338 8.527 ( 3.494 2.713 -0.401) 4.442 9.057 ( 2.235 -0.647 -3.892) 4.535 9.140 ( -3.386 3.203 -1.390) 4.863 9.207 ( -2.219 0.317 0.442) 2.284 9.289 ( -0.993 -2.250 -6.360) 6.819 9.707 ( -1.546 -0.208 -6.687) 6.867 9.801 ( 4.554 1.279 -2.597) 5.396 10.126 ( 1.354 4.940 -0.108) 5.124 10.170 ( 8.869 -2.398 2.205) 9.449 10.401 ( 0.043 -2.026 -0.318) 2.051 10.533 ( 0.236 2.744 -0.613) 2.822 11.766 ( 4.933 2.851 4.577) 7.308 12.124 ( -7.235 -3.463 6.299) 10.199 12.463 ( -1.426 -1.325 -2.990) 3.568 12.594 ( -4.558 -3.584 0.903) 5.868 12.877 ( -2.721 2.251 -0.200) 3.537 12.997 ( 0.210 -1.514 1.854) 2.403 13.042 ( 3.061 3.203 -0.001) 4.430 13.156 ( 2.868 0.719 -2.553) 3.906 13.376 ( 0.428 0.956 -0.230) 1.072 13.535 ( 7.511 0.099 -1.300) 7.623 14.050 ( -6.630 -2.846 3.667) 8.094 14.151 ( -6.893 -0.982 0.159) 6.965 14.408 ( -3.057 -1.866 6.077) 7.054 14.917 ( 2.224 0.363 6.243) 6.637 16.884 ( 0.724 -3.327 -3.315) 4.752 17.054 ( 3.570 6.842 -3.223) 8.364 17.102 ( 1.209 -0.767 3.278) 3.577 17.386 ( 1.705 -4.523 -1.499) 5.061 17.497 ( 0.217 5.209 -2.106) 5.622 18.234 ( -17.465 -5.425 1.181) 18.327 18.937 ( -2.821 -1.370 3.035) 4.365 18.975 ( -2.062 -4.817 4.263) 6.755 19.208 ( 0.521 0.920 1.140) 1.555 20.592 ( 21.596 10.701 -5.184) 24.653 21.103 ( 1.412 0.666 -1.202) 1.970 21.659 ( -3.419 -1.169 4.323) 5.634 ======================= Grid point 154 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -14.506 -2.492 22.562) 26.939 3.228 ( -11.657 -9.194 32.431) 35.667 3.558 ( -4.733 -6.666 -3.449) 8.873 4.038 ( 6.673 12.975 11.108) 18.338 4.222 ( -1.238 -0.553 -5.312) 5.482 4.634 ( -4.512 -11.358 -1.860) 12.362 5.066 ( -3.147 -2.172 -7.366) 8.299 5.429 ( -10.961 -0.163 5.386) 12.214 5.707 ( 4.659 0.259 -6.734) 8.193 6.053 ( -18.711 -7.500 -2.646) 20.331 6.214 ( -3.521 -10.184 4.442) 11.655 6.409 ( 4.720 -1.967 -0.155) 5.116 6.436 ( 0.356 2.941 1.798) 3.466 6.781 ( -11.134 -2.880 12.794) 17.203 6.948 ( -2.133 2.457 0.496) 3.291 7.005 ( 0.252 -2.291 0.957) 2.496 7.382 ( 1.904 -1.406 -1.530) 2.818 7.474 ( 4.815 1.762 -1.321) 5.295 7.538 ( 2.118 7.089 -0.587) 7.422 7.821 ( 5.781 -0.188 -10.246) 11.766 8.036 ( 4.368 1.636 -3.827) 6.033 8.215 ( 7.458 4.211 -3.252) 9.161 8.510 ( 12.113 7.027 0.150) 14.005 8.616 ( 6.938 6.092 -7.413) 11.841 9.019 ( -7.714 2.923 -1.731) 8.429 9.081 ( 1.227 -1.355 -0.810) 2.000 9.217 ( 2.827 -4.430 0.074) 5.255 9.247 ( 0.980 0.947 0.532) 1.463 9.638 ( -1.663 1.662 -4.077) 4.707 9.874 ( 4.611 2.946 -3.663) 6.585 10.168 ( 1.955 0.042 -1.608) 2.532 10.293 ( 5.134 0.291 1.145) 5.268 10.400 ( 2.319 -1.299 0.065) 2.659 10.545 ( -0.890 2.300 -0.796) 2.592 11.898 ( 1.497 0.189 4.236) 4.497 11.998 ( -7.001 -2.697 3.920) 8.465 12.432 ( 0.765 0.401 -1.758) 1.959 12.500 ( -4.248 -3.614 0.303) 5.586 12.864 ( -2.479 4.575 -0.314) 5.213 12.997 ( 3.472 -5.621 -0.001) 6.607 13.104 ( -1.576 4.665 0.433) 4.943 13.232 ( 6.406 1.680 0.297) 6.629 13.376 ( -0.313 0.440 -0.164) 0.564 13.634 ( 6.587 -0.506 -0.964) 6.676 13.946 ( -7.843 -1.719 3.271) 8.670 14.026 ( -5.377 -2.196 -2.730) 6.418 14.369 ( -5.147 -1.982 3.903) 6.757 14.960 ( -2.220 -2.136 5.974) 6.722 16.842 ( 1.662 -2.225 -4.240) 5.069 17.080 ( -1.718 -0.752 -2.420) 3.062 17.170 ( 3.231 4.711 1.087) 5.815 17.408 ( 5.690 -2.699 1.943) 6.590 17.547 ( 0.449 6.213 -0.622) 6.260 17.975 ( -10.638 -3.338 -1.244) 11.219 18.891 ( -3.569 -3.643 3.440) 6.151 18.938 ( -1.453 -3.264 2.571) 4.401 19.201 ( -2.427 0.571 -0.962) 2.673 20.913 ( 13.801 6.272 -2.716) 15.401 21.132 ( 2.213 0.956 -0.556) 2.474 21.624 ( -3.479 -0.842 2.914) 4.615 ======================= Grid point 155 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -21.534 -0.598 22.342) 31.036 2.758 ( -32.467 -19.984 -1.925) 38.173 3.743 ( -3.502 -2.624 23.707) 24.107 4.049 ( 6.794 -16.590 -3.931) 18.354 4.366 ( 2.227 8.207 4.590) 9.664 4.467 ( -3.671 0.362 0.867) 3.789 4.958 ( -5.111 5.220 -6.633) 9.867 5.297 ( -6.918 -3.370 8.370) 11.370 5.647 ( -8.924 -1.231 -2.896) 9.463 5.703 ( 0.247 -5.626 -12.451) 13.666 6.086 ( -1.285 -6.958 1.052) 7.153 6.328 ( -9.193 -4.038 -4.002) 10.809 6.612 ( 3.843 0.174 8.086) 8.955 6.710 ( -4.156 6.992 4.123) 9.119 6.953 ( 5.863 -7.388 3.533) 10.072 7.093 ( 5.431 2.352 2.466) 6.412 7.385 ( 1.073 -0.499 -1.497) 1.908 7.577 ( 4.503 1.656 2.317) 5.328 7.669 ( 1.951 7.430 3.126) 8.293 7.856 ( 7.389 5.129 -10.492) 13.819 8.083 ( 2.378 3.841 -2.984) 5.414 8.305 ( 3.598 0.302 -1.736) 4.007 8.559 ( -2.983 3.040 -13.380) 14.041 8.804 ( 9.331 9.376 -4.004) 13.820 8.977 ( 0.549 1.136 1.887) 2.270 9.080 ( 2.631 -4.929 2.185) 5.999 9.229 ( 1.610 -3.158 3.448) 4.945 9.318 ( 4.530 0.553 2.310) 5.115 9.618 ( -0.641 2.984 -1.088) 3.240 9.925 ( 2.142 4.477 -5.105) 7.120 10.168 ( 3.128 -2.821 -4.096) 5.876 10.346 ( 0.164 2.615 -1.138) 2.857 10.439 ( 3.444 -2.485 0.001) 4.247 10.536 ( -1.618 1.522 -0.152) 2.227 11.773 ( -9.883 -6.255 3.189) 12.123 12.032 ( -0.360 0.261 5.143) 5.162 12.389 ( -3.892 -2.069 -2.629) 5.133 12.476 ( 4.086 2.229 -1.163) 4.798 12.870 ( -1.062 4.321 -1.879) 4.830 12.998 ( 3.881 -3.678 -3.861) 6.595 13.110 ( -1.543 1.121 2.407) 3.071 13.331 ( 1.215 2.051 0.390) 2.416 13.410 ( 3.959 1.615 2.116) 4.771 13.713 ( 4.141 -0.392 -1.321) 4.364 13.818 ( -7.600 -1.715 -0.001) 7.791 13.927 ( -2.486 -2.480 1.410) 3.784 14.285 ( -6.246 -2.105 2.608) 7.089 14.918 ( -5.820 -4.148 6.043) 9.359 16.828 ( 3.145 -1.031 -4.246) 5.383 17.004 ( -2.720 -1.295 -2.828) 4.132 17.264 ( 2.206 3.439 1.541) 4.367 17.527 ( 7.067 -0.785 2.968) 7.705 17.589 ( -1.444 4.883 -1.565) 5.327 17.821 ( -4.937 -0.855 0.732) 5.064 18.828 ( -1.997 -4.824 2.051) 5.609 18.918 ( -1.571 -0.706 2.748) 3.244 19.135 ( -3.907 -0.595 -1.649) 4.283 21.091 ( 5.724 1.590 -1.562) 6.143 21.181 ( 3.237 2.003 -0.216) 3.812 21.590 ( -2.207 -0.389 0.682) 2.343 ======================= Grid point 160 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.461 -12.937 37.449) 39.648 3.029 ( 3.798 12.157 33.240) 35.596 3.490 ( -0.969 6.010 2.121) 6.447 4.164 ( -3.926 -15.714 -2.083) 16.331 4.592 ( 8.940 6.882 -1.917) 11.444 4.781 ( -3.858 6.779 21.914) 23.261 5.109 ( 5.682 -5.079 -3.497) 8.385 5.240 ( -12.681 -2.142 -1.735) 12.977 5.614 ( 1.809 -4.833 10.164) 11.399 5.935 ( 7.834 -1.671 10.777) 13.428 6.266 ( -4.641 13.208 7.609) 15.934 6.374 ( -1.355 1.011 -1.897) 2.541 6.753 ( -0.102 -13.867 3.487) 14.299 7.121 ( 2.393 -2.972 -5.854) 6.988 7.259 ( -1.135 -3.780 -1.934) 4.395 7.324 ( 1.740 -2.054 0.052) 2.693 7.375 ( -3.577 -0.904 -5.033) 6.240 7.423 ( 2.559 -1.236 -9.471) 9.888 7.509 ( -6.844 4.514 0.901) 8.248 7.666 ( 10.548 7.176 -5.440) 13.868 7.886 ( -6.282 -0.242 -5.635) 8.443 7.941 ( 2.654 3.828 -3.810) 6.018 8.074 ( -2.369 3.609 -9.823) 10.730 8.481 ( 0.838 -4.160 5.047) 6.594 9.037 ( -0.277 0.524 -5.576) 5.607 9.112 ( 1.746 3.073 -5.815) 6.805 9.210 ( -0.936 -3.823 -1.014) 4.064 9.388 ( 1.861 4.901 -1.138) 5.364 9.675 ( -1.829 -3.253 -5.872) 6.958 9.772 ( 0.495 -0.988 -11.744) 11.796 9.995 ( -0.162 -0.325 6.115) 6.125 10.128 ( -0.770 8.709 1.657) 8.898 10.418 ( -1.267 -3.044 -0.134) 3.300 10.500 ( 1.326 1.806 -0.773) 2.370 11.676 ( 0.029 3.245 3.319) 4.642 12.244 ( 0.127 -2.261 8.718) 9.007 12.499 ( -0.097 -2.757 -3.807) 4.702 12.745 ( 0.287 -2.499 1.870) 3.134 12.812 ( -1.733 -6.091 1.270) 6.459 12.914 ( 2.550 -3.208 -2.780) 4.952 13.095 ( -0.133 4.462 -2.162) 4.960 13.141 ( -0.201 5.054 -3.261) 6.018 13.361 ( 2.007 1.626 1.046) 2.787 13.402 ( -3.238 5.213 0.402) 6.150 14.135 ( 0.050 -5.094 2.154) 5.530 14.316 ( 1.705 -10.564 4.758) 11.711 14.463 ( -0.565 -1.488 5.974) 6.182 14.835 ( -0.388 9.100 5.341) 10.559 16.860 ( -1.451 -5.556 -1.753) 6.004 17.001 ( 2.519 4.175 -1.421) 5.079 17.070 ( -1.260 4.080 1.803) 4.635 17.387 ( -1.660 -2.358 -2.556) 3.854 17.478 ( 1.503 4.016 -3.371) 5.454 18.654 ( 3.381 -24.917 2.569) 25.277 19.003 ( 0.043 -0.128 3.052) 3.055 19.067 ( -2.565 -3.641 3.792) 5.849 19.122 ( -0.061 -0.684 3.444) 3.512 20.089 ( -0.619 31.807 -4.588) 32.142 21.083 ( -0.023 0.972 -1.498) 1.786 21.713 ( 0.193 -2.505 4.830) 5.445 ======================= Grid point 161 (74/90) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -4.799 -4.197 34.909) 35.487 3.296 ( -3.647 2.088 12.598) 13.280 3.717 ( 11.192 11.320 13.232) 20.700 3.931 ( -5.919 -17.368 0.142) 18.349 4.444 ( -14.354 5.011 -7.038) 16.753 4.946 ( -13.603 -6.113 -0.511) 14.923 5.015 ( 6.345 -6.268 -1.056) 8.982 5.314 ( 13.419 7.418 3.233) 15.670 5.692 ( 1.571 -7.519 12.185) 14.404 6.158 ( 7.153 -5.822 14.902) 17.525 6.253 ( -6.723 8.155 -2.643) 10.895 6.353 ( -1.931 -4.570 -0.667) 5.006 6.729 ( -0.780 -1.515 5.701) 5.950 6.903 ( -6.371 -4.113 -8.834) 11.642 7.167 ( -7.601 -9.866 -2.500) 12.703 7.243 ( 0.207 -5.886 3.908) 7.069 7.364 ( 1.775 -1.516 -2.974) 3.781 7.413 ( -5.459 5.632 -2.507) 8.235 7.504 ( -3.756 7.750 2.741) 9.038 7.713 ( -0.701 -4.423 -9.493) 10.496 7.846 ( 6.706 7.737 -6.888) 12.340 7.942 ( 3.831 6.006 -5.402) 8.940 8.149 ( 9.932 9.079 -2.929) 13.771 8.493 ( 2.127 -4.182 0.912) 4.779 8.998 ( 0.397 0.233 -3.707) 3.736 9.100 ( 3.724 -4.855 -5.188) 8.022 9.207 ( -0.746 5.773 -0.804) 5.876 9.382 ( -6.937 4.316 -1.854) 8.377 9.620 ( 4.334 -1.779 -6.615) 8.106 9.711 ( 2.303 1.823 -4.954) 5.759 10.085 ( 4.639 -0.856 6.114) 7.722 10.184 ( -1.979 5.197 0.520) 5.585 10.378 ( -0.163 -2.047 0.223) 2.066 10.531 ( 1.546 1.851 -1.579) 2.882 11.768 ( 3.139 4.799 3.218) 6.575 12.237 ( -4.638 -4.439 4.694) 7.953 12.438 ( -0.767 -2.458 -2.302) 3.454 12.651 ( -5.410 -5.214 2.547) 7.933 12.837 ( 4.074 -4.912 1.031) 6.464 12.918 ( 3.354 -1.122 -1.155) 3.721 13.112 ( -0.676 6.764 -2.635) 7.290 13.163 ( -0.999 4.754 0.204) 4.862 13.396 ( -1.423 2.268 -0.588) 2.741 13.444 ( 4.267 2.620 0.286) 5.015 14.082 ( -1.839 -7.372 2.549) 8.014 14.240 ( -4.601 -5.218 0.834) 7.006 14.472 ( -1.570 -2.525 4.520) 5.410 14.961 ( 1.232 5.144 4.586) 7.001 16.794 ( 0.994 -5.633 -1.631) 5.948 17.055 ( 1.674 5.653 -3.316) 6.765 17.128 ( 0.642 3.361 4.146) 5.376 17.325 ( -0.535 -3.390 -1.483) 3.739 17.515 ( 1.319 5.665 -2.900) 6.499 18.384 ( -10.852 -16.324 -0.632) 19.612 18.989 ( -2.542 -1.104 1.766) 3.286 19.020 ( -3.485 -3.402 4.976) 6.963 19.179 ( 3.417 -1.999 1.594) 4.268 20.429 ( 12.349 23.062 -3.458) 26.388 21.087 ( 0.632 1.380 -1.092) 1.869 21.713 ( -1.527 -3.187 3.652) 5.082 ======================= Grid point 162 (75/90) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -13.260 4.178 24.195) 27.905 3.390 ( 10.049 -5.691 5.546) 12.811 3.617 ( -16.359 -17.149 6.690) 24.627 4.055 ( 1.249 10.101 -4.731) 11.223 4.267 ( -1.454 -3.454 7.199) 8.116 4.701 ( -10.970 -2.569 3.256) 11.727 5.008 ( 1.606 -3.204 -0.833) 3.680 5.460 ( 8.868 1.780 -17.340) 19.558 5.682 ( -10.068 -7.889 12.835) 18.120 6.143 ( -2.958 -10.450 -7.391) 13.137 6.176 ( -3.699 -8.040 1.768) 9.025 6.425 ( -1.600 1.021 13.328) 13.462 6.554 ( -8.424 6.448 -3.536) 11.183 6.898 ( -4.949 -11.926 6.452) 14.434 6.946 ( 2.888 1.358 -4.571) 5.575 7.175 ( -11.541 -4.030 2.981) 12.582 7.342 ( -2.734 3.577 -0.580) 4.539 7.367 ( 5.142 -1.786 0.917) 5.520 7.606 ( 3.860 5.738 4.742) 8.385 7.640 ( 4.048 1.357 -9.752) 10.646 7.942 ( 6.095 8.204 -6.649) 12.193 8.115 ( 7.850 6.190 1.086) 10.056 8.395 ( 11.446 9.093 -1.035) 14.655 8.496 ( 4.945 -0.202 -7.397) 8.900 8.986 ( 2.049 -3.088 -0.340) 3.722 9.111 ( 4.956 -1.476 -0.244) 5.177 9.189 ( -6.161 5.117 -3.612) 8.786 9.294 ( -5.096 1.795 0.098) 5.403 9.643 ( 2.482 3.987 -3.474) 5.842 9.759 ( 5.366 0.386 -3.205) 6.262 10.164 ( -2.043 0.078 -0.985) 2.269 10.222 ( 6.248 0.294 4.308) 7.595 10.379 ( 0.023 0.524 0.329) 0.619 10.552 ( 0.968 1.483 -1.735) 2.479 11.900 ( 3.825 4.422 2.661) 6.424 12.113 ( -7.642 -5.539 2.209) 9.693 12.406 ( 0.552 -0.833 -1.143) 1.518 12.546 ( -4.900 -5.245 2.142) 7.491 12.844 ( 3.707 -4.759 -1.144) 6.140 12.944 ( -0.562 1.593 -0.931) 1.928 13.153 ( 1.699 2.295 -2.091) 3.539 13.212 ( 0.205 5.943 2.939) 6.633 13.387 ( -0.351 1.049 -0.512) 1.219 13.550 ( 5.100 2.930 0.931) 5.955 14.003 ( -2.228 -7.019 2.594) 7.807 14.092 ( -7.948 -3.064 -3.060) 9.051 14.444 ( -2.936 -2.869 2.743) 4.937 15.027 ( -1.213 0.815 4.020) 4.277 16.756 ( 1.558 -3.325 -1.985) 4.174 17.088 ( -1.033 4.340 -3.831) 5.880 17.211 ( 0.848 3.652 4.764) 6.062 17.306 ( 4.420 -3.648 0.352) 5.742 17.576 ( 1.857 6.624 -2.082) 7.187 18.079 ( -10.243 -9.426 -2.074) 14.074 18.935 ( -3.267 -5.544 2.739) 6.994 18.979 ( -3.514 0.089 2.929) 4.576 19.198 ( 0.848 -2.391 -0.785) 2.656 20.776 ( 11.980 13.945 -1.394) 18.438 21.111 ( 1.475 1.728 -0.414) 2.309 21.674 ( -2.538 -3.259 1.804) 4.507 ======================= Grid point 163 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -17.909 -0.063 18.484) 25.737 3.103 ( -27.593 -8.463 -1.945) 28.927 3.676 ( 15.612 -4.366 4.070) 16.714 3.815 ( -4.545 -23.420 -5.084) 24.393 4.395 ( 0.174 4.192 7.415) 8.520 4.688 ( -3.995 6.129 8.556) 11.258 5.020 ( 0.186 4.016 -0.442) 4.044 5.414 ( 8.140 -5.798 -17.101) 19.807 5.500 ( -12.876 -5.910 9.187) 16.885 5.826 ( -15.122 -2.772 -6.270) 16.604 6.069 ( -3.135 -4.682 5.114) 7.609 6.368 ( -5.421 -4.353 -2.016) 7.239 6.658 ( 1.306 3.668 5.447) 6.696 6.793 ( 1.690 -11.494 3.932) 12.265 6.948 ( -11.009 3.114 -0.443) 11.450 7.023 ( 6.392 -1.038 1.176) 6.581 7.327 ( 1.675 -3.461 -1.809) 4.249 7.537 ( 6.634 3.499 7.114) 10.337 7.664 ( 5.532 4.403 -8.987) 11.435 7.765 ( 4.706 2.934 3.641) 6.634 8.057 ( 3.257 10.277 -4.579) 11.713 8.262 ( 3.312 4.334 0.578) 5.485 8.468 ( 4.001 0.800 -11.178) 11.899 8.679 ( 11.964 8.375 -2.065) 14.749 9.018 ( 3.731 -3.149 3.830) 6.205 9.055 ( -8.313 2.972 -4.789) 10.043 9.207 ( 1.871 -0.042 2.798) 3.367 9.283 ( 2.717 1.070 3.304) 4.409 9.668 ( -2.195 2.660 0.674) 3.514 9.832 ( 7.464 2.271 -6.487) 10.146 10.113 ( -1.878 -0.415 -2.290) 2.990 10.348 ( 3.022 2.001 1.275) 3.843 10.373 ( 0.694 -1.276 -0.498) 1.536 10.560 ( 0.064 1.054 -0.583) 1.206 11.889 ( -8.105 -4.847 1.671) 9.591 12.062 ( 1.663 1.126 2.846) 3.484 12.414 ( -0.792 0.472 -2.703) 2.856 12.437 ( -1.691 -3.889 1.702) 4.569 12.861 ( 4.694 -3.577 -2.391) 6.367 12.916 ( -2.758 3.150 -2.956) 5.125 13.159 ( -1.109 0.311 1.105) 1.596 13.313 ( 3.783 2.841 2.034) 5.150 13.408 ( 1.113 2.573 -0.234) 2.813 13.659 ( 3.367 1.607 1.461) 4.007 13.901 ( -7.570 -3.220 -3.252) 8.846 13.946 ( -1.120 -4.055 3.085) 5.216 14.373 ( -4.802 -2.896 1.343) 5.766 15.009 ( -3.974 -2.709 3.829) 6.148 16.753 ( 1.977 0.168 -1.893) 2.742 17.028 ( -4.202 1.410 -3.741) 5.800 17.296 ( 1.029 2.884 3.756) 4.846 17.408 ( 8.661 -1.344 1.078) 8.831 17.631 ( -0.489 4.706 -2.554) 5.376 17.888 ( -4.039 -3.785 1.041) 5.632 18.845 ( -3.807 -5.408 2.073) 6.931 18.965 ( -1.727 0.611 2.628) 3.204 19.150 ( -1.874 -2.945 -2.177) 4.114 21.017 ( 6.786 6.761 -0.366) 9.586 21.156 ( 2.239 2.021 0.155) 3.020 21.612 ( -2.325 -2.909 -0.391) 3.744 ======================= Grid point 168 (77/90) ======================= q-point: ( 0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 6.791 -7.204 30.280) 31.857 3.338 ( 3.090 5.560 31.672) 32.305 3.622 ( -8.440 5.674 -0.221) 10.173 4.021 ( -1.525 -16.525 -6.298) 17.750 4.353 ( 21.524 4.704 3.457) 22.301 4.932 ( 5.323 -3.126 -2.057) 6.506 5.129 ( -10.525 -1.251 -1.828) 10.755 5.292 ( -1.061 0.507 -5.139) 5.272 5.766 ( -7.291 -9.726 13.028) 17.818 5.911 ( 1.826 4.312 17.219) 17.844 6.343 ( 0.487 -3.209 -1.555) 3.599 6.536 ( -2.876 8.182 4.150) 9.615 6.711 ( 1.790 -4.010 4.544) 6.319 6.887 ( 7.645 -4.663 -5.400) 10.457 7.041 ( 8.541 -14.124 -7.292) 18.045 7.270 ( 8.108 -1.734 0.829) 8.333 7.319 ( -5.701 -4.201 -11.291) 13.328 7.392 ( -0.934 1.380 1.581) 2.297 7.509 ( 9.100 8.047 -1.127) 12.199 7.767 ( -7.051 2.741 0.864) 7.614 7.862 ( -2.544 8.425 -4.512) 9.890 8.076 ( -3.897 9.063 -7.762) 12.552 8.097 ( -9.508 4.586 -1.696) 10.692 8.453 ( -1.235 -6.405 0.352) 6.533 9.028 ( -0.882 -0.825 -4.414) 4.576 9.036 ( -1.123 -2.154 -3.563) 4.312 9.209 ( -0.606 1.068 -0.420) 1.298 9.340 ( 5.129 5.166 -2.208) 7.608 9.627 ( -0.500 -2.185 -9.460) 9.722 9.736 ( -4.215 2.078 -2.803) 5.472 10.071 ( -2.982 0.118 4.002) 4.992 10.238 ( -1.228 7.663 1.281) 7.865 10.416 ( -0.960 -1.307 0.420) 1.675 10.485 ( -0.073 0.122 -1.729) 1.735 11.767 ( -3.147 4.753 3.197) 6.536 12.230 ( 4.996 -5.137 5.040) 8.761 12.441 ( 0.605 -2.119 -2.569) 3.385 12.671 ( 5.644 -3.304 2.265) 6.921 12.787 ( -2.244 -7.618 0.393) 7.952 12.935 ( -5.660 -0.478 0.927) 5.755 13.105 ( 2.967 5.611 -1.837) 6.608 13.160 ( -0.552 5.242 -1.156) 5.396 13.369 ( -0.006 0.512 0.429) 0.668 13.520 ( -4.406 7.139 -1.856) 8.592 14.084 ( 1.976 -7.806 3.629) 8.833 14.184 ( 5.976 -7.952 1.502) 10.060 14.480 ( 1.856 -2.201 4.275) 5.154 14.969 ( -1.516 5.397 4.070) 6.928 16.831 ( -2.679 -4.976 -2.543) 6.197 17.008 ( -0.286 4.942 -1.383) 5.140 17.140 ( -0.287 2.836 2.809) 4.002 17.394 ( -3.587 -1.364 -2.114) 4.381 17.455 ( 2.435 4.818 -2.346) 5.886 18.321 ( 12.045 -18.125 1.838) 21.840 18.986 ( 2.661 -1.463 2.162) 3.728 19.081 ( 2.126 -1.033 4.629) 5.197 19.161 ( -2.724 -3.212 0.090) 4.213 20.449 ( -13.068 24.071 -4.263) 27.719 21.089 ( -0.742 1.596 -1.107) 2.079 21.704 ( 1.935 -3.866 3.933) 5.845 ======================= Grid point 169 (78/90) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 3.999 -2.434 30.835) 31.188 3.406 ( -9.791 -3.070 -4.436) 11.179 3.736 ( 4.608 -2.599 3.901) 6.573 3.845 ( 3.708 -6.965 10.153) 12.859 4.570 ( -2.492 3.302 -8.920) 9.833 4.940 ( 0.379 -3.108 3.292) 4.544 5.042 ( 1.880 2.131 0.173) 2.847 5.182 ( -1.097 -2.584 -10.758) 11.118 5.750 ( -1.087 -10.149 21.001) 23.350 6.115 ( 3.295 -4.132 12.248) 13.339 6.230 ( -2.202 -8.336 -7.337) 11.321 6.524 ( -7.585 6.067 4.721) 10.800 6.714 ( 6.265 -9.604 -12.612) 17.045 6.891 ( -4.739 4.784 6.720) 9.513 6.996 ( 6.716 -8.311 -5.131) 11.853 7.150 ( 0.223 -7.078 -1.914) 7.336 7.391 ( -1.420 2.470 4.162) 5.044 7.478 ( 10.440 3.723 0.720) 11.108 7.599 ( -7.508 -0.924 -3.208) 8.217 7.691 ( 0.603 3.836 -6.674) 7.722 7.841 ( -4.477 6.191 -7.191) 10.492 8.028 ( -6.885 12.710 3.121) 14.788 8.099 ( 3.887 12.027 -2.295) 12.846 8.392 ( 1.970 -9.198 -0.181) 9.408 8.984 ( 2.306 -3.339 -0.537) 4.093 8.992 ( -2.073 0.372 -1.217) 2.432 9.240 ( 1.864 6.886 -3.742) 8.056 9.441 ( 3.412 3.392 -3.026) 5.684 9.517 ( -2.487 -0.921 -5.156) 5.798 9.691 ( -0.624 3.050 -1.433) 3.427 10.091 ( 0.622 -0.843 5.020) 5.128 10.262 ( -2.825 3.110 -1.154) 4.357 10.390 ( -0.906 0.001 2.583) 2.737 10.499 ( 1.755 1.547 -2.207) 3.216 11.817 ( 0.100 6.240 2.513) 6.727 12.247 ( 0.347 -7.109 1.618) 7.300 12.407 ( -0.155 -2.180 -1.168) 2.478 12.667 ( -1.134 -8.861 1.272) 9.024 12.779 ( 1.490 -1.290 4.262) 4.695 12.870 ( 0.115 0.132 -0.865) 0.883 13.172 ( -1.536 5.975 -0.982) 6.247 13.188 ( 1.739 4.098 -1.892) 4.838 13.394 ( 1.791 1.433 -0.628) 2.378 13.498 ( -3.703 5.757 -0.623) 6.873 14.047 ( -0.381 -9.059 3.290) 9.645 14.196 ( 2.676 -6.779 -0.278) 7.294 14.493 ( -0.583 -3.394 2.575) 4.300 15.033 ( -0.132 4.823 2.162) 5.287 16.743 ( -1.141 -4.640 0.314) 4.789 17.036 ( 1.766 2.892 -2.811) 4.403 17.202 ( -0.309 4.796 3.623) 6.018 17.323 ( -2.663 -1.021 -0.787) 2.959 17.510 ( 1.899 5.657 -3.381) 6.859 18.271 ( 1.798 -18.163 -0.866) 18.273 19.023 ( -0.105 -0.996 0.158) 1.014 19.050 ( -0.867 -5.454 3.131) 6.348 19.148 ( -0.122 -1.204 2.150) 2.467 20.543 ( -0.621 24.566 -2.791) 24.732 21.089 ( -0.130 1.969 -0.808) 2.133 21.713 ( 0.377 -4.652 2.813) 5.450 ======================= Grid point 170 (79/90) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -2.234 -12.520 -13.323) 18.419 3.290 ( -2.261 7.288 26.421) 27.501 3.591 ( -0.273 -23.409 4.130) 23.772 4.110 ( 4.621 11.013 -1.068) 11.990 4.369 ( -11.209 -2.492 -1.473) 11.577 4.854 ( -6.758 -5.522 0.035) 8.727 4.998 ( -1.437 -2.436 -2.017) 3.474 5.185 ( 6.042 3.045 -8.037) 10.505 5.825 ( -2.804 -12.156 14.916) 19.446 6.035 ( -1.187 -8.830 -7.557) 11.682 6.152 ( 0.354 -5.469 4.831) 7.306 6.562 ( -1.560 -4.292 -1.671) 4.863 6.572 ( 1.902 0.967 -0.899) 2.315 6.899 ( -0.774 1.310 -8.376) 8.513 6.963 ( -6.247 -8.355 9.822) 14.328 7.134 ( 1.054 -2.763 -1.416) 3.279 7.367 ( -3.567 3.002 5.852) 7.482 7.477 ( 3.250 -0.245 -4.630) 5.662 7.557 ( -6.931 4.043 -4.424) 9.162 7.682 ( -0.840 4.861 -4.974) 7.006 7.872 ( 7.016 5.754 3.356) 9.675 8.130 ( 1.799 10.198 1.202) 10.425 8.320 ( 7.933 9.574 1.796) 12.562 8.352 ( 2.948 -0.689 -3.505) 4.632 8.957 ( -0.478 -2.036 1.477) 2.561 9.053 ( 4.594 2.577 3.540) 6.347 9.255 ( -2.653 3.410 -4.592) 6.305 9.425 ( -7.377 4.022 -1.375) 8.514 9.506 ( 9.180 1.709 -6.719) 11.504 9.739 ( 0.809 2.383 1.818) 3.105 10.155 ( 3.285 -1.065 2.411) 4.212 10.222 ( -2.122 0.687 1.557) 2.720 10.417 ( -1.128 2.220 2.385) 3.449 10.517 ( 1.911 1.001 -2.669) 3.432 11.918 ( 2.438 6.446 1.635) 7.084 12.148 ( -3.656 -8.454 -0.769) 9.243 12.386 ( 0.060 -1.191 0.051) 1.193 12.572 ( -2.905 -7.437 1.287) 8.087 12.771 ( -0.333 -1.751 0.447) 1.837 12.940 ( 3.317 0.158 2.702) 4.281 13.155 ( -1.828 3.734 -3.285) 5.299 13.260 ( 2.321 4.091 0.391) 4.719 13.400 ( -1.146 1.791 -2.528) 3.303 13.543 ( 2.243 4.635 2.870) 5.895 13.980 ( -1.033 -7.856 2.440) 8.291 14.120 ( -3.579 -5.081 -3.680) 7.222 14.457 ( -1.155 -4.528 1.195) 4.823 15.072 ( -0.441 1.237 0.726) 1.501 16.716 ( 0.288 -2.066 1.883) 2.810 17.088 ( 4.089 2.989 -1.767) 5.364 17.229 ( -1.783 0.402 -3.213) 3.697 17.303 ( -1.349 1.915 6.239) 6.665 17.571 ( 2.933 6.110 -3.568) 7.659 18.071 ( -5.001 -13.104 -2.852) 14.312 18.958 ( -2.922 -3.840 0.901) 4.909 19.055 ( -1.162 -2.098 2.777) 3.670 19.137 ( 0.627 -2.720 -0.552) 2.845 20.775 ( 5.824 17.950 -0.658) 18.883 21.109 ( 0.760 2.230 -0.171) 2.362 21.679 ( -1.353 -4.719 1.052) 5.020 ======================= Grid point 171 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 0.671 -17.987 -10.989) 21.088 3.357 ( -0.886 -15.888 5.173) 16.733 3.564 ( -5.873 2.812 16.357) 17.605 3.819 ( -21.560 -4.935 -9.889) 24.228 4.456 ( 6.757 3.769 6.005) 9.794 4.721 ( -0.274 -4.313 -10.415) 11.276 4.969 ( 6.033 -3.987 -1.561) 7.398 5.245 ( -0.255 6.079 0.186) 6.087 5.679 ( -8.686 -9.849 5.244) 14.140 5.880 ( -4.252 -4.726 -5.485) 8.396 6.148 ( -2.202 -6.660 7.381) 10.183 6.432 ( -5.518 -0.242 -5.901) 8.083 6.639 ( 0.612 -11.662 4.783) 12.619 6.746 ( -1.314 -1.651 0.108) 2.113 6.971 ( 0.918 2.757 3.137) 4.276 7.067 ( -2.880 0.830 -3.304) 4.461 7.339 ( -10.189 -0.896 -2.687) 10.576 7.537 ( 6.952 3.952 -0.072) 7.997 7.556 ( 4.270 5.436 3.571) 7.781 7.732 ( 4.655 2.017 -0.063) 5.074 8.019 ( 6.201 2.195 -4.538) 7.991 8.258 ( 1.536 5.439 0.048) 5.652 8.381 ( 3.126 4.994 2.058) 6.240 8.574 ( 9.200 10.150 -0.749) 13.720 8.971 ( 2.292 -1.221 1.352) 2.927 9.168 ( -6.038 1.476 -3.322) 7.048 9.210 ( 3.708 5.581 3.941) 7.774 9.343 ( -4.728 1.695 2.776) 5.739 9.630 ( 10.101 2.968 -7.135) 12.718 9.751 ( -2.369 0.402 1.640) 2.909 10.147 ( -2.866 1.101 -0.535) 3.117 10.305 ( 5.318 0.648 3.880) 6.615 10.406 ( -3.764 1.207 -0.249) 3.960 10.542 ( 2.284 0.769 -0.856) 2.557 11.967 ( -5.584 -3.067 -0.344) 6.380 12.041 ( 2.796 -1.050 -0.183) 2.993 12.388 ( 1.089 -0.402 0.027) 1.161 12.464 ( -3.904 -5.285 0.640) 6.602 12.769 ( 1.533 -1.212 -0.779) 2.104 12.966 ( -2.096 1.466 0.114) 2.560 13.160 ( 1.588 1.045 -0.371) 1.937 13.318 ( 0.510 1.503 0.673) 1.724 13.402 ( 1.820 3.864 -1.949) 4.695 13.653 ( 2.365 1.420 3.970) 4.834 13.922 ( -2.169 -4.977 -1.533) 5.641 13.961 ( -3.786 -2.868 -1.101) 4.876 14.395 ( -1.964 -4.999 -0.157) 5.373 15.050 ( -1.899 -2.711 0.094) 3.311 16.742 ( 0.754 1.762 2.146) 2.877 17.099 ( -5.874 3.165 -3.559) 7.562 17.235 ( 8.745 -2.718 -0.502) 9.172 17.368 ( -0.124 2.899 4.653) 5.484 17.639 ( 1.997 4.703 -3.110) 5.981 17.888 ( -2.565 -7.180 -0.650) 7.652 18.878 ( -3.803 -4.394 1.114) 5.917 19.027 ( -2.573 -0.693 2.182) 3.444 19.106 ( 0.428 -3.423 -2.435) 4.223 21.001 ( 5.324 10.444 0.651) 11.740 21.149 ( 1.477 2.150 0.546) 2.665 21.609 ( -2.254 -4.117 -0.845) 4.769 ======================= Grid point 177 (81/90) ======================= q-point: ( 0.38 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 13.498 -5.311 20.799) 25.358 3.591 ( -1.695 4.258 20.211) 20.724 3.695 ( 15.068 -10.291 -7.500) 19.727 3.875 ( -11.504 -5.552 6.735) 14.440 4.207 ( 5.060 3.382 7.693) 9.810 4.789 ( 7.390 -0.304 -4.993) 8.923 5.028 ( 5.095 -5.544 -7.684) 10.758 5.342 ( -7.187 -4.433 -3.933) 9.315 5.747 ( 4.806 -3.032 5.803) 8.122 6.149 ( 10.575 -12.040 -0.296) 16.027 6.252 ( -9.350 0.616 6.935) 11.657 6.402 ( 11.155 -4.209 -9.066) 14.978 6.648 ( 8.386 7.032 4.300) 11.758 6.801 ( 0.573 -5.281 -1.774) 5.601 6.937 ( -3.428 -4.428 9.741) 11.236 7.098 ( 8.130 -1.459 0.065) 8.260 7.334 ( -8.414 -3.249 -1.642) 9.168 7.438 ( 1.321 3.534 2.349) 4.444 7.505 ( -0.113 4.600 1.805) 4.943 7.740 ( 0.053 4.737 -10.322) 11.357 8.037 ( -0.763 -1.324 -6.925) 7.091 8.103 ( -7.300 10.548 2.210) 13.017 8.370 ( -12.661 9.506 -0.658) 15.846 8.439 ( -5.367 -1.001 -7.882) 9.588 8.945 ( -0.012 -5.141 0.795) 5.202 9.119 ( -3.193 6.575 -0.146) 7.311 9.215 ( -1.281 -0.950 -1.327) 2.075 9.333 ( 3.448 5.789 3.942) 7.807 9.542 ( -1.518 -1.297 -8.644) 8.871 9.795 ( -3.531 0.618 -2.133) 4.171 10.146 ( -2.865 0.543 1.388) 3.230 10.295 ( -0.007 3.318 -2.347) 4.064 10.445 ( -0.486 2.347 2.496) 3.460 10.481 ( -1.954 -1.025 -2.078) 3.031 11.903 ( -4.627 4.927 2.735) 7.292 12.099 ( 8.090 -6.733 2.978) 10.939 12.408 ( -0.087 -0.766 -1.577) 1.755 12.564 ( 5.263 -4.423 1.150) 6.970 12.777 ( -2.287 -3.840 0.522) 4.500 13.013 ( -4.084 -2.461 -0.766) 4.830 13.092 ( 1.976 4.880 -0.146) 5.267 13.240 ( -2.141 6.070 1.384) 6.583 13.368 ( -0.004 -0.686 -0.043) 0.687 13.625 ( -3.419 6.877 -3.144) 8.299 13.994 ( 4.741 -8.792 4.455) 10.938 14.041 ( 4.101 -4.417 -1.083) 6.124 14.439 ( 3.997 -3.112 2.653) 5.718 15.035 ( 1.065 1.091 3.421) 3.745 16.803 ( -1.543 -1.627 -4.166) 4.731 17.077 ( -3.735 4.257 -0.848) 5.726 17.151 ( 3.184 -0.738 2.547) 4.143 17.423 ( -3.881 0.217 -2.882) 4.839 17.489 ( -1.012 5.417 2.067) 5.886 18.029 ( 9.215 -10.455 0.450) 13.943 18.944 ( 2.449 -2.562 1.703) 3.932 19.055 ( 5.375 0.468 3.326) 6.338 19.148 ( -1.592 -4.820 -1.622) 5.329 20.800 ( -11.925 14.873 -2.631) 19.244 21.117 ( -1.477 2.174 -0.674) 2.714 21.657 ( 2.591 -4.224 2.640) 5.615 ======================= Grid point 178 (82/90) ======================= q-point: ( 0.50 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 11.200 -1.618 14.880) 18.694 3.466 ( -7.628 -6.464 -10.812) 14.727 3.676 ( -8.123 -18.148 6.814) 21.018 3.834 ( 8.668 1.841 7.589) 11.667 4.486 ( 7.784 5.104 -1.942) 9.508 4.832 ( 7.887 -3.947 -2.365) 9.131 5.031 ( 2.380 -0.823 0.363) 2.544 5.149 ( -5.981 -0.314 -4.252) 7.345 5.815 ( 1.404 -10.211 12.049) 15.856 6.040 ( 0.999 -12.463 -12.737) 17.848 6.248 ( -5.845 -6.126 10.729) 13.667 6.409 ( 6.266 -5.121 -6.702) 10.508 6.707 ( -4.350 1.666 0.166) 4.661 6.803 ( 2.758 1.535 -2.830) 4.239 6.973 ( 4.790 -3.455 2.060) 6.255 7.181 ( -2.099 -5.191 6.736) 8.759 7.296 ( 9.318 0.294 1.659) 9.469 7.473 ( -2.501 4.476 0.515) 5.153 7.527 ( 1.291 1.987 -7.781) 8.134 7.743 ( 1.404 4.422 -4.407) 6.399 7.909 ( -7.553 4.555 -3.577) 9.518 8.163 ( -1.626 9.090 -1.573) 9.367 8.324 ( -1.182 -1.822 0.858) 2.336 8.338 ( -6.971 14.682 4.010) 16.740 8.957 ( 1.435 0.298 3.981) 4.243 9.064 ( -6.700 -0.737 1.931) 7.012 9.215 ( 2.624 4.736 -4.769) 7.215 9.376 ( -0.541 -1.451 -6.469) 6.652 9.542 ( 1.927 7.301 2.433) 7.933 9.733 ( -2.708 0.340 -0.656) 2.807 10.119 ( -1.516 -1.955 2.537) 3.544 10.308 ( -0.802 3.632 -2.318) 4.383 10.404 ( -0.497 -2.268 -0.281) 2.339 10.504 ( -0.270 3.488 0.909) 3.615 11.912 ( -2.407 5.597 1.582) 6.295 12.143 ( 3.839 -8.042 0.048) 8.912 12.391 ( -0.142 -0.734 -0.177) 0.768 12.582 ( 2.591 -7.566 0.013) 7.997 12.777 ( 2.593 0.082 3.900) 4.684 12.913 ( -5.248 -1.631 0.245) 5.501 13.160 ( 2.649 3.822 -1.855) 5.007 13.261 ( -2.980 4.660 -0.182) 5.534 13.372 ( 1.244 0.472 -0.144) 1.338 13.602 ( -3.586 6.254 -2.632) 7.675 13.993 ( 0.728 -9.170 4.279) 10.145 14.063 ( 5.189 -4.968 -1.740) 7.392 14.468 ( 1.460 -4.061 0.956) 4.420 15.072 ( 0.313 1.066 0.458) 1.202 16.737 ( -1.376 -2.069 -0.190) 2.492 17.032 ( -2.305 -0.127 -0.494) 2.361 17.259 ( 2.909 4.316 2.745) 5.885 17.351 ( -2.060 1.319 -2.768) 3.694 17.534 ( -1.392 5.712 -0.226) 5.884 18.057 ( 5.940 -11.937 -0.213) 13.335 18.964 ( 2.985 -3.825 0.280) 4.860 19.050 ( -2.785 -4.427 -1.685) 5.495 19.145 ( 2.528 -1.143 2.816) 3.953 20.783 ( -6.341 17.670 -1.851) 18.864 21.113 ( -0.961 2.474 -0.553) 2.711 21.671 ( 1.787 -4.886 1.959) 5.559 ======================= Grid point 179 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -7.410 -12.768 -18.351) 23.552 3.350 ( 1.684 -31.318 3.604) 31.569 3.602 ( 1.547 9.968 18.452) 21.030 4.062 ( 10.088 5.715 -1.674) 11.715 4.449 ( -4.083 -0.396 -8.726) 9.642 4.760 ( -0.978 -5.946 -18.016) 18.997 4.942 ( -5.297 -3.943 1.383) 6.746 5.288 ( 1.249 7.660 12.538) 14.746 5.805 ( 6.107 -16.831 -8.505) 19.822 5.834 ( -2.452 -15.207 9.670) 18.187 6.149 ( -0.940 -6.959 3.013) 7.641 6.408 ( 1.887 -2.431 -2.181) 3.772 6.687 ( -0.112 2.526 -1.605) 2.995 6.776 ( -4.381 -5.048 -0.355) 6.693 7.015 ( 5.148 -2.907 -2.413) 6.385 7.145 ( -2.216 1.482 -1.615) 3.117 7.427 ( 7.200 -3.411 -4.264) 9.036 7.490 ( -1.587 5.297 4.236) 6.966 7.563 ( 3.519 5.209 -1.407) 6.442 7.653 ( -10.186 5.093 -5.714) 12.742 7.922 ( 2.040 7.195 2.747) 7.967 8.207 ( -0.130 7.611 -1.319) 7.726 8.333 ( -2.165 -1.487 9.098) 9.469 8.466 ( -2.175 16.744 4.825) 17.561 8.982 ( -3.116 -2.794 2.734) 4.999 9.056 ( 3.883 3.875 3.521) 6.519 9.271 ( 1.106 5.775 -5.261) 7.890 9.321 ( 5.192 -1.308 -5.899) 7.967 9.571 ( -6.206 3.715 0.420) 7.245 9.768 ( 1.665 3.289 3.726) 5.241 10.120 ( 1.783 -1.908 2.473) 3.597 10.290 ( -2.928 1.597 1.344) 3.596 10.425 ( 3.541 1.130 -1.013) 3.852 10.518 ( -1.960 1.765 0.465) 2.678 11.952 ( 1.027 2.608 0.160) 2.808 12.083 ( -0.689 -6.595 -2.489) 7.083 12.386 ( -0.468 -0.606 1.346) 1.549 12.528 ( 0.083 -6.963 -0.789) 7.008 12.822 ( -4.302 -0.954 3.321) 5.518 12.903 ( 4.954 0.984 3.343) 6.057 13.178 ( -0.865 0.263 -3.503) 3.618 13.266 ( 0.155 5.406 -0.711) 5.454 13.397 ( 0.709 1.560 -1.800) 2.485 13.604 ( -1.051 5.373 1.105) 5.586 13.940 ( -0.634 -7.939 2.209) 8.265 14.055 ( 1.534 -5.160 -3.180) 6.252 14.428 ( -0.746 -5.497 -0.638) 5.584 15.069 ( 0.176 -1.164 -2.165) 2.464 16.731 ( 0.134 -0.522 3.817) 3.855 17.019 ( 2.261 -1.312 0.015) 2.614 17.265 ( -3.352 2.872 -4.094) 6.020 17.400 ( 0.552 4.012 5.268) 6.645 17.554 ( 0.349 5.126 -3.272) 6.092 17.981 ( -0.767 -10.468 -2.055) 10.695 18.954 ( -0.105 -5.851 -0.844) 5.912 18.991 ( 2.291 -2.058 -1.402) 3.384 19.157 ( -1.555 -2.188 2.103) 3.409 20.883 ( 0.317 15.449 -0.234) 15.454 21.125 ( -0.071 2.597 -0.067) 2.598 21.654 ( -0.056 -4.616 0.713) 4.671 ======================= Grid point 180 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -0.263 -19.070 -18.808) 26.786 3.106 ( 3.394 -35.610 6.776) 36.407 3.865 ( -2.577 13.077 -3.461) 13.770 4.030 ( -10.636 2.488 -2.653) 11.241 4.336 ( -1.929 1.478 -16.172) 16.354 4.604 ( 6.677 -7.411 3.892) 10.707 4.866 ( -0.227 -4.958 3.120) 5.862 5.346 ( -3.776 0.168 0.610) 3.829 5.679 ( -0.694 -7.515 -0.770) 7.586 5.781 ( 2.874 -12.723 2.067) 13.207 6.156 ( 0.557 -7.382 6.746) 10.015 6.388 ( 1.282 -3.758 -0.974) 4.088 6.596 ( -6.296 -6.876 -5.200) 10.675 6.725 ( 3.764 2.009 -0.037) 4.267 7.022 ( -1.356 0.827 -0.362) 1.629 7.127 ( -0.237 7.350 -7.710) 10.654 7.410 ( -2.619 -0.946 -1.870) 3.354 7.514 ( 1.343 5.921 -5.866) 8.442 7.586 ( -2.815 3.933 -0.678) 4.884 7.708 ( 4.772 4.489 11.892) 13.577 7.986 ( -3.627 0.551 3.164) 4.845 8.288 ( 2.973 6.647 0.001) 7.282 8.431 ( 3.023 2.726 10.684) 11.434 8.612 ( -0.847 12.117 2.529) 12.408 8.959 ( -0.288 0.920 -0.207) 0.986 9.167 ( 3.082 1.268 -0.867) 3.443 9.286 ( -0.395 6.367 0.168) 6.381 9.375 ( 5.240 -1.076 -6.830) 8.676 9.525 ( -2.163 3.569 2.473) 4.851 9.816 ( -2.204 1.669 3.459) 4.428 10.185 ( 1.904 1.487 2.201) 3.268 10.290 ( 0.155 1.087 2.891) 3.092 10.481 ( -3.687 0.362 -0.843) 3.799 10.496 ( 3.645 1.521 0.663) 4.005 11.922 ( 0.882 -10.576 -3.297) 11.113 12.032 ( -1.057 3.500 -1.945) 4.141 12.382 ( -0.580 -1.927 2.021) 2.852 12.468 ( -0.966 -2.510 0.009) 2.690 12.784 ( -2.888 0.670 1.389) 3.274 12.999 ( 0.980 -0.043 3.925) 4.046 13.138 ( 0.806 1.460 -3.350) 3.742 13.313 ( 0.955 0.734 0.084) 1.207 13.401 ( 0.648 4.643 -2.723) 5.421 13.680 ( 1.173 2.011 4.874) 5.401 13.875 ( -0.248 -5.529 -1.942) 5.866 13.966 ( -2.358 -3.550 -2.606) 4.996 14.352 ( -0.540 -6.266 -1.695) 6.513 15.019 ( -0.140 -4.399 -3.507) 5.628 16.787 ( 0.510 2.244 5.127) 5.620 17.073 ( 5.885 -4.002 -0.315) 7.124 17.196 ( -4.274 4.623 -2.424) 6.747 17.457 ( -2.705 2.864 4.359) 5.876 17.601 ( 3.765 4.666 -4.425) 7.451 17.850 ( -2.289 -6.960 -1.029) 7.398 18.890 ( -1.655 -3.709 -0.668) 4.116 18.991 ( 2.535 -4.349 -1.951) 5.399 19.110 ( -3.030 -1.568 0.986) 3.551 21.040 ( 3.215 10.198 1.235) 10.764 21.156 ( 0.786 2.380 0.507) 2.558 21.599 ( -1.932 -3.560 -0.751) 4.120 ======================= Grid point 226 (85/90) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 0.000 -0.000 33.147) 33.147 3.084 ( 0.000 -0.000 33.147) 33.147 3.441 ( -0.000 0.000 -0.205) 0.205 4.401 ( -0.000 0.000 -6.288) 6.288 4.401 ( -0.000 0.000 -6.288) 6.288 4.907 ( 0.000 -0.000 22.415) 22.415 5.144 ( -0.000 0.000 -7.704) 7.704 5.144 ( -0.000 0.000 -7.704) 7.704 5.852 ( 0.000 -0.000 24.123) 24.123 6.127 ( 0.000 -0.000 12.119) 12.119 6.127 ( 0.000 -0.000 12.119) 12.119 6.346 ( -0.000 0.000 -1.259) 1.259 6.982 ( -0.000 0.000 -8.931) 8.931 6.982 ( -0.000 0.000 -8.931) 8.931 7.302 ( -0.000 0.000 -2.278) 2.278 7.302 ( -0.000 0.000 -2.278) 2.278 7.303 ( -0.000 0.000 -1.977) 1.977 7.453 ( 0.000 -0.000 0.886) 0.886 7.515 ( 0.000 0.000 -0.072) 0.072 7.515 ( -0.000 -0.000 -0.072) 0.072 7.833 ( -0.000 0.000 -7.124) 7.124 7.833 ( -0.000 0.000 -7.124) 7.124 7.969 ( -0.000 0.000 -12.416) 12.416 8.585 ( 0.000 -0.000 7.598) 7.598 9.005 ( -0.000 0.000 -4.586) 4.586 9.005 ( -0.000 0.000 -4.586) 4.586 9.295 ( -0.000 0.000 -0.951) 0.951 9.295 ( -0.000 0.000 -0.951) 0.951 9.603 ( -0.000 0.000 -10.681) 10.681 9.686 ( -0.000 0.000 -11.840) 11.840 10.070 ( 0.000 -0.000 6.307) 6.307 10.070 ( 0.000 -0.000 6.307) 6.307 10.456 ( -0.000 0.000 -1.281) 1.281 10.456 ( -0.000 0.000 -1.281) 1.281 11.667 ( 0.000 -0.000 2.155) 2.155 12.335 ( 0.000 -0.000 5.571) 5.571 12.507 ( -0.000 0.000 -0.050) 0.050 12.818 ( 0.000 -0.000 1.819) 1.819 12.818 ( 0.000 -0.000 1.819) 1.819 13.010 ( -0.000 0.000 -4.265) 4.265 13.011 ( -0.000 0.000 -2.931) 2.931 13.011 ( -0.000 0.000 -2.931) 2.931 13.360 ( 0.000 -0.000 1.319) 1.319 13.360 ( 0.000 -0.000 1.319) 1.319 14.186 ( 0.000 -0.000 1.331) 1.331 14.523 ( 0.000 -0.000 4.609) 4.609 14.523 ( 0.000 -0.000 4.609) 4.609 14.739 ( 0.000 -0.000 4.064) 4.064 16.927 ( -0.000 0.000 -1.184) 1.184 16.927 ( -0.000 0.000 -1.184) 1.184 17.037 ( 0.000 -0.000 1.383) 1.383 17.401 ( -0.000 0.000 -2.551) 2.551 17.401 ( -0.000 0.000 -2.551) 2.551 19.022 ( 0.000 -0.000 2.549) 2.549 19.022 ( 0.000 -0.000 2.549) 2.549 19.153 ( 0.000 -0.000 2.595) 2.595 19.153 ( 0.000 -0.000 2.595) 2.595 19.641 ( -0.000 0.000 -1.971) 1.971 21.063 ( -0.000 0.000 -1.189) 1.189 21.777 ( 0.000 -0.000 4.257) 4.257 ======================= Grid point 227 (86/90) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -13.539 -5.970 26.868) 30.673 3.446 ( 5.125 -5.679 14.274) 16.195 3.599 ( 7.067 12.365 11.956) 18.595 4.199 ( -2.758 -3.438 -5.293) 6.888 4.310 ( -10.626 -5.238 -5.183) 12.931 5.000 ( -6.625 -1.757 -2.295) 7.228 5.101 ( 3.889 -0.500 2.488) 4.643 5.166 ( 6.476 3.903 -7.934) 10.959 6.019 ( -1.043 -9.196 23.655) 25.401 6.094 ( -9.257 9.174 8.961) 15.817 6.372 ( 4.006 -1.802 9.572) 10.532 6.423 ( 7.655 -0.915 6.094) 9.827 6.745 ( -7.783 -2.107 -11.316) 13.895 6.857 ( -2.622 -2.924 -13.834) 14.381 7.267 ( -2.920 -0.116 -4.398) 5.281 7.308 ( -3.166 5.489 2.398) 6.775 7.328 ( -3.036 -0.232 -1.105) 3.239 7.384 ( -2.192 -4.631 2.608) 5.749 7.443 ( -2.963 -0.635 4.595) 5.504 7.696 ( -1.829 -3.549 -9.814) 10.595 7.701 ( 10.222 5.570 2.216) 11.850 7.847 ( 7.434 -1.458 -8.264) 11.211 7.967 ( 9.110 6.750 -7.562) 13.628 8.581 ( -5.399 -2.509 3.777) 7.051 8.962 ( 1.435 0.101 -2.172) 2.605 9.037 ( 2.492 3.838 -4.363) 6.323 9.227 ( -0.635 -6.817 -3.029) 7.487 9.278 ( -3.779 5.324 0.263) 6.534 9.579 ( -1.215 -0.412 -8.431) 8.528 9.622 ( 7.759 2.611 -4.817) 9.499 10.123 ( -0.288 2.548 4.429) 5.118 10.156 ( 3.705 -1.045 4.354) 5.812 10.414 ( -0.555 -1.815 -0.665) 2.011 10.476 ( 1.013 2.175 -2.114) 3.198 11.722 ( 3.615 2.114 1.692) 4.517 12.338 ( -3.070 -1.769 2.794) 4.512 12.468 ( -3.806 -2.210 0.176) 4.404 12.744 ( -5.202 -3.099 2.794) 6.669 12.885 ( -1.393 1.571 -0.685) 2.209 12.951 ( 3.321 -1.370 -2.723) 4.508 12.986 ( 2.078 2.035 0.442) 2.942 13.081 ( 2.997 2.481 -1.603) 4.208 13.373 ( -0.040 0.665 0.736) 0.993 13.411 ( 4.390 0.940 -0.103) 4.491 14.171 ( -2.359 -1.425 1.091) 2.964 14.380 ( -11.789 -5.716 2.505) 13.339 14.540 ( -1.496 -1.150 3.043) 3.581 14.900 ( 7.191 3.975 3.069) 8.771 16.876 ( -2.162 -3.319 -2.083) 4.475 16.938 ( 1.491 3.111 -0.524) 3.490 17.105 ( 3.827 1.845 1.890) 4.650 17.374 ( 1.052 -2.810 -1.287) 3.264 17.404 ( 0.405 3.621 -2.208) 4.260 18.673 ( -23.974 -11.837 1.056) 26.758 19.021 ( -1.246 -1.183 2.019) 2.651 19.124 ( -2.223 -3.151 3.296) 5.073 19.201 ( 0.727 1.156 0.318) 1.402 20.026 ( 25.828 14.578 -1.874) 29.718 21.062 ( 0.786 0.425 -0.796) 1.197 21.784 ( -2.340 -1.223 2.959) 3.966 ======================= Grid point 228 (87/90) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( -14.435 -3.685 19.165) 24.275 3.558 ( 6.053 -7.193 1.894) 9.590 3.792 ( -1.496 9.583 -7.503) 12.263 3.983 ( -10.653 -12.856 2.604) 16.898 4.279 ( 3.847 5.968 13.491) 15.245 4.847 ( -9.502 -5.629 4.685) 11.997 5.047 ( -3.659 -2.646 -3.795) 5.898 5.249 ( 8.017 5.262 -13.620) 16.658 5.938 ( -12.297 -5.239 12.549) 18.334 6.234 ( 1.498 -8.221 -3.280) 8.977 6.344 ( -0.552 -3.457 5.278) 6.333 6.408 ( -18.834 1.142 -12.157) 22.446 6.577 ( 4.518 -4.455 11.478) 13.115 6.809 ( 3.045 4.789 -7.186) 9.157 7.104 ( -5.652 -6.548 1.076) 8.717 7.212 ( -10.644 3.618 0.349) 11.248 7.369 ( 1.146 2.117 7.681) 8.050 7.427 ( 4.175 -3.602 4.510) 7.123 7.512 ( -0.503 8.570 5.776) 10.347 7.557 ( 1.746 -4.562 -10.216) 11.324 7.839 ( 9.490 -2.971 -6.715) 11.999 8.007 ( 10.103 6.791 1.724) 12.294 8.182 ( 14.327 9.446 -4.676) 17.787 8.461 ( -5.871 -1.062 -4.496) 7.471 9.001 ( 3.908 0.721 -1.630) 4.295 9.042 ( -2.599 3.826 -2.859) 5.438 9.168 ( 3.488 -2.681 -0.331) 4.411 9.309 ( -0.345 -0.764 4.583) 4.659 9.524 ( 0.317 4.219 -4.856) 6.440 9.720 ( 5.593 1.155 -2.874) 6.393 10.153 ( -0.811 0.320 0.688) 1.110 10.238 ( 3.582 0.871 1.072) 3.839 10.404 ( 1.018 -1.986 1.447) 2.660 10.494 ( 0.876 2.800 -2.153) 3.639 11.838 ( 5.931 3.396 0.957) 6.901 12.236 ( -8.447 -4.791 2.378) 9.998 12.406 ( -1.018 -0.593 -1.088) 1.603 12.649 ( -5.893 -3.816 2.261) 7.376 12.855 ( -3.509 4.238 -1.320) 5.658 12.931 ( 3.497 -5.363 -4.739) 7.965 13.116 ( 1.892 7.146 3.226) 8.065 13.143 ( 5.383 -0.888 1.312) 5.611 13.380 ( -0.009 0.158 0.401) 0.431 13.502 ( 5.735 2.050 -0.906) 6.157 14.105 ( -4.749 -2.488 -0.521) 5.386 14.163 ( -10.018 -5.165 1.526) 11.374 14.507 ( -3.485 -1.806 1.553) 4.221 15.031 ( 3.035 1.601 2.360) 4.164 16.792 ( -1.955 -2.060 -3.182) 4.265 17.002 ( 3.106 1.688 -0.456) 3.564 17.191 ( 1.420 2.400 3.039) 4.125 17.362 ( 2.799 -1.729 -1.445) 3.594 17.455 ( 2.576 4.070 -0.152) 4.819 18.247 ( -17.709 -8.840 0.541) 19.800 19.001 ( -2.194 -0.594 1.790) 2.894 19.065 ( -3.196 -5.440 1.974) 6.612 19.201 ( -1.387 1.184 -1.584) 2.415 20.518 ( 21.395 11.862 -0.830) 24.478 21.083 ( 1.714 0.920 -0.297) 1.968 21.736 ( -3.895 -2.005 1.211) 4.546 ======================= Grid point 235 (88/90) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 7.794 -9.640 17.680) 21.593 3.443 ( -11.327 -2.745 6.971) 13.581 3.704 ( 4.017 4.478 3.734) 7.081 4.082 ( 1.140 -7.833 3.787) 8.774 4.382 ( -2.057 7.718 -13.085) 15.330 5.008 ( 2.298 -1.144 1.209) 2.837 5.047 ( -0.141 -1.140 -1.938) 2.253 5.120 ( -1.630 -1.595 -3.172) 3.906 6.104 ( 2.672 -8.146 15.079) 17.345 6.305 ( -6.532 -4.656 7.969) 11.307 6.354 ( 5.473 -5.101 10.527) 12.915 6.488 ( -6.362 2.820 7.501) 10.232 6.660 ( 5.493 -0.586 -16.029) 16.954 6.763 ( -1.860 3.443 -12.460) 13.060 7.196 ( 0.492 -9.932 2.593) 10.277 7.275 ( 1.091 -5.296 2.641) 6.018 7.374 ( 4.323 3.178 1.498) 5.571 7.422 ( -2.085 1.063 -0.302) 2.360 7.540 ( 3.891 0.981 -1.323) 4.225 7.657 ( -5.625 -0.642 -4.880) 7.474 7.697 ( -0.076 3.343 -2.172) 3.987 7.793 ( -5.355 12.181 -1.316) 13.371 7.860 ( 3.685 10.228 -5.774) 12.309 8.598 ( 0.083 -9.896 2.741) 10.269 8.961 ( -1.724 1.129 -0.718) 2.182 8.983 ( 2.372 2.086 -2.148) 3.820 9.185 ( -0.679 -3.655 -0.568) 3.760 9.336 ( 1.962 4.505 -2.387) 5.463 9.513 ( -0.404 -2.428 -4.448) 5.084 9.574 ( -0.800 7.938 -1.794) 8.177 10.146 ( 0.962 -0.747 4.077) 4.254 10.196 ( -1.210 2.939 0.910) 3.306 10.416 ( -1.302 -0.519 0.826) 1.627 10.450 ( 1.372 1.364 -2.425) 3.102 11.732 ( 0.016 4.211 0.903) 4.307 12.353 ( -0.006 -2.009 0.524) 2.077 12.475 ( 0.001 -6.258 0.848) 6.316 12.820 ( -0.280 -7.325 -1.882) 7.568 12.835 ( 0.547 -0.865 3.434) 3.583 12.868 ( 0.114 -0.277 1.174) 1.211 13.042 ( -1.577 6.048 -2.212) 6.631 13.074 ( 1.461 6.351 -1.378) 6.661 13.379 ( 0.494 0.342 0.239) 0.647 13.409 ( -0.909 3.448 0.166) 3.569 14.176 ( -0.076 -3.196 0.797) 3.295 14.396 ( 0.582 -13.273 1.267) 13.346 14.560 ( -0.195 -1.798 1.462) 2.325 14.923 ( -0.058 8.792 1.317) 8.890 16.841 ( -0.524 -5.420 0.374) 5.458 16.952 ( 0.648 3.374 -1.488) 3.744 17.121 ( -0.231 5.483 0.942) 5.568 17.350 ( -0.828 -1.557 -0.021) 1.764 17.404 ( 0.838 3.232 -1.890) 3.837 18.684 ( 0.822 -26.271 0.168) 26.284 19.046 ( -0.268 -1.052 0.257) 1.116 19.153 ( -0.619 -3.104 1.840) 3.661 19.179 ( 0.220 -0.556 1.225) 1.364 20.017 ( -0.124 29.714 -1.167) 29.738 21.057 ( -0.015 0.965 -0.429) 1.056 21.803 ( 0.056 -2.827 1.594) 3.246 ======================= Grid point 236 (89/90) ======================= q-point: (-0.38 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -3.619 -10.496 -8.509) 13.988 3.469 ( -5.028 -4.115 15.163) 16.496 3.763 ( 5.799 6.238 -7.007) 11.030 4.045 ( -9.688 -8.560 -2.749) 13.217 4.350 ( 4.960 3.027 3.633) 6.853 4.968 ( -4.057 -5.891 -5.540) 9.047 5.046 ( -0.601 -3.836 2.594) 4.670 5.082 ( 1.484 4.555 1.768) 5.107 6.082 ( -3.073 -8.051 -10.716) 13.751 6.204 ( -12.072 -9.198 12.660) 19.764 6.343 ( 4.298 -7.388 11.657) 14.455 6.476 ( -4.018 -0.264 -14.816) 15.353 6.647 ( 2.112 -0.992 7.891) 8.228 6.734 ( 0.836 7.106 -5.033) 8.748 7.128 ( -5.087 -5.576 -2.245) 7.874 7.285 ( 5.335 -7.804 1.490) 9.570 7.321 ( -4.913 3.165 -4.423) 7.330 7.441 ( -1.840 -4.263 -5.975) 7.567 7.482 ( -0.296 3.114 2.455) 3.976 7.615 ( 4.330 0.226 2.762) 5.141 7.794 ( -0.971 9.005 8.404) 12.356 7.937 ( 7.918 9.651 -0.385) 12.490 8.063 ( 8.865 14.613 -1.081) 17.126 8.467 ( -4.612 -9.332 -1.153) 10.473 8.965 ( 0.313 0.559 0.199) 0.671 9.025 ( 2.975 2.489 -1.075) 4.025 9.170 ( -1.432 2.047 -0.010) 2.498 9.360 ( -0.059 2.919 -0.300) 2.935 9.468 ( 2.184 -1.825 -1.495) 3.215 9.676 ( 2.451 5.821 1.300) 6.449 10.164 ( -0.549 -0.121 -2.146) 2.218 10.222 ( 1.723 1.510 2.938) 3.726 10.418 ( -0.995 0.416 2.847) 3.044 10.466 ( 1.875 1.664 -3.013) 3.920 11.809 ( 3.192 5.584 -0.040) 6.432 12.294 ( -3.926 -6.685 -0.095) 7.753 12.410 ( -1.298 -2.291 0.033) 2.633 12.713 ( -4.253 -6.373 0.801) 7.703 12.802 ( 0.978 -2.691 -1.920) 3.447 12.943 ( -1.845 2.983 1.237) 3.719 13.064 ( 3.658 2.639 -0.342) 4.524 13.165 ( 2.998 5.956 -0.306) 6.675 13.377 ( -0.367 -0.131 -0.485) 0.622 13.473 ( 3.064 4.789 1.591) 5.904 14.127 ( -2.169 -4.610 0.534) 5.123 14.226 ( -6.666 -10.286 -1.628) 12.365 14.533 ( -1.380 -2.839 0.190) 3.163 15.023 ( 2.618 4.596 0.084) 5.290 16.784 ( -1.997 -3.589 0.868) 4.198 16.995 ( 1.690 4.208 -0.889) 4.622 17.192 ( 2.938 3.215 -0.085) 4.356 17.332 ( -1.095 -1.028 2.040) 2.534 17.447 ( 2.594 4.323 -1.687) 5.316 18.354 ( -10.921 -19.239 -1.202) 22.155 19.015 ( -1.131 -2.412 0.035) 2.664 19.125 ( -4.376 -1.685 2.801) 5.463 19.173 ( 1.650 -2.314 -2.038) 3.497 20.391 ( 13.232 23.013 0.369) 26.548 21.073 ( 0.880 1.518 0.062) 1.756 21.762 ( -2.143 -3.721 -0.194) 4.299 ======================= Grid point 307 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 0.000 -0.000 0.000) 0.000 3.679 ( 0.000 -0.000 0.000) 0.000 3.679 ( 0.000 -0.000 0.000) 0.000 4.170 ( 0.000 -0.000 0.000) 0.000 4.170 ( 0.000 -0.000 0.000) 0.000 5.025 ( 0.000 -0.000 0.000) 0.000 5.025 ( 0.000 -0.000 0.000) 0.000 5.158 ( 0.000 -0.000 0.000) 0.000 6.216 ( 0.000 -0.000 0.000) 0.000 6.457 ( 0.000 -0.000 0.000) 0.000 6.515 ( -0.000 0.000 -0.000) 0.000 6.515 ( -0.000 0.000 -0.000) 0.000 6.574 ( 0.000 -0.000 0.000) 0.000 6.574 ( 0.000 -0.000 0.000) 0.000 7.331 ( -0.000 0.000 -0.000) 0.000 7.344 ( 0.000 0.000 -0.000) 0.000 7.344 ( 0.000 -0.000 -0.000) 0.000 7.401 ( 0.000 -0.000 0.000) 0.000 7.615 ( -0.000 0.000 -0.000) 0.000 7.615 ( -0.000 0.000 -0.000) 0.000 7.634 ( 0.000 -0.000 0.000) 0.000 7.634 ( 0.000 -0.000 0.000) 0.000 7.703 ( 0.000 -0.000 0.000) 0.000 8.714 ( 0.000 -0.000 0.000) 0.000 8.947 ( 0.000 -0.000 0.000) 0.000 8.947 ( 0.000 -0.000 0.000) 0.000 9.276 ( 0.000 -0.000 0.000) 0.000 9.276 ( 0.000 -0.000 0.000) 0.000 9.436 ( 0.000 -0.000 0.000) 0.000 9.516 ( 0.000 -0.000 0.000) 0.000 10.175 ( 0.000 -0.000 0.000) 0.000 10.175 ( 0.000 -0.000 0.000) 0.000 10.423 ( 0.000 -0.000 0.000) 0.000 10.423 ( 0.000 -0.000 0.000) 0.000 11.695 ( 0.000 -0.000 0.000) 0.000 12.366 ( 0.000 -0.000 0.000) 0.000 12.563 ( 0.000 -0.000 0.000) 0.000 12.857 ( 0.000 -0.000 0.000) 0.000 12.857 ( 0.000 -0.000 0.000) 0.000 12.942 ( 0.000 -0.000 0.000) 0.000 12.960 ( 0.000 -0.000 0.000) 0.000 12.960 ( 0.000 -0.000 0.000) 0.000 13.378 ( 0.000 -0.000 0.000) 0.000 13.378 ( 0.000 -0.000 0.000) 0.000 14.206 ( 0.000 -0.000 0.000) 0.000 14.582 ( 0.000 -0.000 0.000) 0.000 14.582 ( 0.000 -0.000 0.000) 0.000 14.795 ( 0.000 -0.000 0.000) 0.000 16.912 ( 0.000 -0.000 0.000) 0.000 16.912 ( 0.000 -0.000 0.000) 0.000 17.056 ( 0.000 -0.000 0.000) 0.000 17.365 ( 0.000 -0.000 0.000) 0.000 17.365 ( 0.000 -0.000 0.000) 0.000 19.058 ( 0.000 -0.000 0.000) 0.000 19.058 ( 0.000 -0.000 0.000) 0.000 19.188 ( 0.000 -0.000 0.000) 0.000 19.188 ( 0.000 -0.000 0.000) 0.000 19.612 ( 0.000 -0.000 0.000) 0.000 21.047 ( 0.000 -0.000 0.000) 0.000 21.837 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/30720 10.0 636.513 636.513 617.070 0.000 -0.000 -0.000 3/30720 20.0 377.952 377.952 610.352 0.000 0.000 -0.000 3/30720 30.0 239.227 239.227 413.172 0.000 0.000 -0.000 3/30720 40.0 152.749 152.749 267.149 0.000 0.000 -0.000 3/30720 50.0 101.828 101.828 177.131 0.000 0.000 -0.000 3/30720 60.0 71.209 71.209 122.750 0.000 0.000 -0.000 3/30720 70.0 52.160 52.160 89.138 0.000 0.000 -0.000 3/30720 80.0 39.835 39.835 67.567 0.000 0.000 -0.000 3/30720 90.0 31.535 31.535 53.149 0.000 0.000 -0.000 3/30720 100.0 25.727 25.727 43.128 0.000 0.000 -0.000 3/30720 110.0 21.522 21.522 35.914 0.000 0.000 -0.000 3/30720 120.0 18.382 18.382 30.554 0.000 0.000 -0.000 3/30720 130.0 15.974 15.974 26.463 0.000 0.000 -0.000 3/30720 140.0 14.085 14.085 23.264 0.000 0.000 -0.000 3/30720 150.0 12.572 12.572 20.712 0.000 0.000 -0.000 3/30720 160.0 11.339 11.339 18.638 0.000 0.000 -0.000 3/30720 170.0 10.318 10.318 16.926 0.000 0.000 -0.000 3/30720 180.0 9.462 9.462 15.493 0.000 0.000 -0.000 3/30720 190.0 8.735 8.735 14.278 0.000 0.000 -0.000 3/30720 200.0 8.110 8.110 13.237 0.000 0.000 -0.000 3/30720 210.0 7.569 7.569 12.337 0.000 0.000 -0.000 3/30720 220.0 7.096 7.096 11.551 0.000 0.000 -0.000 3/30720 230.0 6.679 6.679 10.860 0.000 0.000 -0.000 3/30720 240.0 6.309 6.309 10.247 0.000 0.000 -0.000 3/30720 250.0 5.979 5.979 9.701 0.000 0.000 -0.000 3/30720 260.0 5.683 5.683 9.211 0.000 0.000 -0.000 3/30720 270.0 5.415 5.415 8.769 0.000 0.000 -0.000 3/30720 280.0 5.172 5.172 8.368 0.000 0.000 -0.000 3/30720 290.0 4.950 4.950 8.004 0.000 0.000 -0.000 3/30720 300.0 4.747 4.747 7.671 0.000 0.000 -0.000 3/30720 310.0 4.561 4.561 7.365 0.000 0.000 -0.000 3/30720 320.0 4.389 4.389 7.083 0.000 0.000 -0.000 3/30720 330.0 4.230 4.230 6.823 0.000 0.000 -0.000 3/30720 340.0 4.083 4.083 6.581 0.000 0.000 -0.000 3/30720 350.0 3.946 3.946 6.357 0.000 0.000 -0.000 3/30720 360.0 3.818 3.818 6.148 0.000 0.000 -0.000 3/30720 370.0 3.699 3.699 5.953 0.000 0.000 -0.000 3/30720 380.0 3.587 3.587 5.770 0.000 0.000 -0.000 3/30720 390.0 3.481 3.481 5.599 0.000 0.000 -0.000 3/30720 400.0 3.382 3.382 5.438 0.000 0.000 -0.000 3/30720 410.0 3.289 3.289 5.286 0.000 0.000 -0.000 3/30720 420.0 3.201 3.201 5.142 0.000 0.000 -0.000 3/30720 430.0 3.118 3.118 5.007 0.000 0.000 -0.000 3/30720 440.0 3.039 3.039 4.879 0.000 0.000 -0.000 3/30720 450.0 2.964 2.964 4.757 0.000 0.000 -0.000 3/30720 460.0 2.892 2.892 4.641 0.000 0.000 -0.000 3/30720 470.0 2.825 2.825 4.531 0.000 0.000 -0.000 3/30720 480.0 2.760 2.760 4.427 0.000 0.000 -0.000 3/30720 490.0 2.698 2.698 4.327 0.000 0.000 -0.000 3/30720 500.0 2.640 2.640 4.231 0.000 0.000 -0.000 3/30720 510.0 2.583 2.583 4.140 0.000 0.000 -0.000 3/30720 520.0 2.530 2.530 4.053 0.000 0.000 -0.000 3/30720 530.0 2.478 2.478 3.970 0.000 0.000 -0.000 3/30720 540.0 2.429 2.429 3.890 0.000 0.000 -0.000 3/30720 550.0 2.381 2.381 3.813 0.000 0.000 -0.000 3/30720 560.0 2.335 2.335 3.740 0.000 0.000 -0.000 3/30720 570.0 2.292 2.292 3.669 0.000 0.000 -0.000 3/30720 580.0 2.249 2.249 3.601 0.000 0.000 -0.000 3/30720 590.0 2.209 2.209 3.535 0.000 0.000 -0.000 3/30720 600.0 2.170 2.170 3.472 0.000 0.000 -0.000 3/30720 610.0 2.132 2.132 3.411 0.000 0.000 -0.000 3/30720 620.0 2.095 2.095 3.352 0.000 0.000 -0.000 3/30720 630.0 2.060 2.060 3.296 0.000 0.000 -0.000 3/30720 640.0 2.026 2.026 3.241 0.000 0.000 -0.000 3/30720 650.0 1.993 1.993 3.188 0.000 0.000 -0.000 3/30720 660.0 1.962 1.962 3.137 0.000 0.000 -0.000 3/30720 670.0 1.931 1.931 3.087 0.000 0.000 -0.000 3/30720 680.0 1.901 1.901 3.039 0.000 0.000 -0.000 3/30720 690.0 1.872 1.872 2.993 0.000 0.000 -0.000 3/30720 700.0 1.844 1.844 2.948 0.000 0.000 -0.000 3/30720 710.0 1.817 1.817 2.904 0.000 0.000 -0.000 3/30720 720.0 1.791 1.791 2.862 0.000 0.000 -0.000 3/30720 730.0 1.765 1.765 2.821 0.000 0.000 -0.000 3/30720 740.0 1.740 1.740 2.781 0.000 0.000 -0.000 3/30720 750.0 1.716 1.716 2.742 0.000 0.000 -0.000 3/30720 760.0 1.693 1.693 2.704 0.000 0.000 -0.000 3/30720 770.0 1.670 1.670 2.668 0.000 0.000 -0.000 3/30720 780.0 1.647 1.647 2.632 0.000 0.000 -0.000 3/30720 790.0 1.626 1.626 2.597 0.000 0.000 -0.000 3/30720 800.0 1.605 1.605 2.563 0.000 0.000 -0.000 3/30720 810.0 1.584 1.584 2.531 0.000 0.000 -0.000 3/30720 820.0 1.564 1.564 2.498 0.000 0.000 -0.000 3/30720 830.0 1.545 1.545 2.467 0.000 0.000 -0.000 3/30720 840.0 1.526 1.526 2.437 0.000 0.000 -0.000 3/30720 850.0 1.507 1.507 2.407 0.000 0.000 -0.000 3/30720 860.0 1.489 1.489 2.378 0.000 0.000 -0.000 3/30720 870.0 1.472 1.472 2.350 0.000 0.000 -0.000 3/30720 880.0 1.454 1.454 2.322 0.000 0.000 -0.000 3/30720 890.0 1.438 1.438 2.295 0.000 0.000 -0.000 3/30720 900.0 1.421 1.421 2.269 0.000 0.000 -0.000 3/30720 910.0 1.405 1.405 2.243 0.000 0.000 -0.000 3/30720 920.0 1.389 1.389 2.218 0.000 0.000 -0.000 3/30720 930.0 1.374 1.374 2.193 0.000 0.000 -0.000 3/30720 940.0 1.359 1.359 2.169 0.000 0.000 -0.000 3/30720 950.0 1.344 1.344 2.146 0.000 0.000 -0.000 3/30720 960.0 1.330 1.330 2.123 0.000 0.000 -0.000 3/30720 970.0 1.316 1.316 2.100 0.000 0.000 -0.000 3/30720 980.0 1.302 1.302 2.078 0.000 0.000 -0.000 3/30720 990.0 1.289 1.289 2.057 0.000 0.000 -0.000 3/30720 1000.0 1.276 1.276 2.036 0.000 0.000 -0.000 3/30720 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:21:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|