----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:15:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.069586480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.740424170000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.922981320000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *5 Se 0.81904937927556 0.25000000000000 0.47683755471256 78.960 6 Se 0.31904937927556 0.25000000000000 0.02316244528744 78.960 7 Se 0.18095062072444 0.75000000000000 0.52316244528744 78.960 8 Se 0.68095062072444 0.75000000000000 0.97683755471256 78.960 *9 O 0.37847881719092 0.25000000000000 0.70123945412854 15.999 *10 O 0.62527441303296 0.95580692709450 0.82947168151757 15.999 *11 O 0.36601157582575 0.75000000000000 0.55539097427124 15.999 12 O 0.87472558696704 0.04419307290550 0.32947168151757 15.999 13 O 0.12527441303296 0.54419307290550 0.67052831848243 15.999 14 O 0.86601157582575 0.75000000000000 0.94460902572876 15.999 15 O 0.63398842417425 0.25000000000000 0.44460902572876 15.999 16 O 0.12527441303296 0.95580692709450 0.67052831848243 15.999 17 O 0.62152118280908 0.75000000000000 0.29876054587146 15.999 18 O 0.62527441303296 0.54419307290550 0.82947168151757 15.999 19 O 0.87847881719092 0.25000000000000 0.79876054587146 15.999 20 O 0.13398842417425 0.25000000000000 0.05539097427124 15.999 21 O 0.87472558696704 0.45580692709450 0.32947168151757 15.999 22 O 0.12152118280908 0.75000000000000 0.20123945412854 15.999 23 O 0.37472558696704 0.04419307290550 0.17052831848243 15.999 24 O 0.37472558696704 0.45580692709450 0.17052831848243 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.069586480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.740424170000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.922981320000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 2 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 4 *5 Se 0.81904937927556 0.25000000000000 0.47683755471256 78.960 > 5 6 Se 0.31904937927556 0.25000000000000 0.02316244528744 78.960 > 6 7 Se 0.18095062072444 0.75000000000000 0.52316244528744 78.960 > 7 8 Se 0.68095062072444 0.75000000000000 0.97683755471256 78.960 > 8 *9 O 0.37847881719092 0.25000000000000 0.70123945412854 15.999 > 9 *10 O 0.62527441303296 0.95580692709450 0.82947168151757 15.999 > 10 *11 O 0.36601157582575 0.75000000000000 0.55539097427124 15.999 > 11 12 O 0.87472558696704 0.04419307290550 0.32947168151757 15.999 > 12 13 O 0.12527441303296 0.54419307290550 0.67052831848243 15.999 > 13 14 O 0.86601157582575 0.75000000000000 0.94460902572876 15.999 > 14 15 O 0.63398842417425 0.25000000000000 0.44460902572876 15.999 > 15 16 O 0.12527441303296 0.95580692709450 0.67052831848243 15.999 > 16 17 O 0.62152118280908 0.75000000000000 0.29876054587146 15.999 > 17 18 O 0.62527441303296 0.54419307290550 0.82947168151757 15.999 > 18 19 O 0.87847881719092 0.25000000000000 0.79876054587146 15.999 > 19 20 O 0.13398842417425 0.25000000000000 0.05539097427124 15.999 > 20 21 O 0.87472558696704 0.45580692709450 0.32947168151757 15.999 > 21 22 O 0.12152118280908 0.75000000000000 0.20123945412854 15.999 > 22 23 O 0.37472558696704 0.04419307290550 0.17052831848243 15.999 > 23 24 O 0.37472558696704 0.45580692709450 0.17052831848243 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.069586480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.480848340000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845962640000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 1 3 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 1 4 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 1 5 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 2 6 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 2 7 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 2 8 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 2 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 10 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 3 11 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 3 12 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 3 13 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 4 14 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 4 15 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 4 16 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 4 *17 Se 0.81904937927556 0.12500000000000 0.23841877735628 78.960 > 5 18 Se 0.81904937927556 0.62500000000000 0.23841877735628 78.960 > 5 19 Se 0.81904937927556 0.12500000000000 0.73841877735628 78.960 > 5 20 Se 0.81904937927556 0.62500000000000 0.73841877735628 78.960 > 5 21 Se 0.31904937927556 0.12500000000000 0.01158122264372 78.960 > 6 22 Se 0.31904937927556 0.62500000000000 0.01158122264372 78.960 > 6 23 Se 0.31904937927556 0.12500000000000 0.51158122264372 78.960 > 6 24 Se 0.31904937927556 0.62500000000000 0.51158122264372 78.960 > 6 25 Se 0.18095062072444 0.37500000000000 0.26158122264372 78.960 > 7 26 Se 0.18095062072444 0.87500000000000 0.26158122264372 78.960 > 7 27 Se 0.18095062072444 0.37500000000000 0.76158122264372 78.960 > 7 28 Se 0.18095062072444 0.87500000000000 0.76158122264372 78.960 > 7 29 Se 0.68095062072444 0.37500000000000 0.48841877735628 78.960 > 8 30 Se 0.68095062072444 0.87500000000000 0.48841877735628 78.960 > 8 31 Se 0.68095062072444 0.37500000000000 0.98841877735628 78.960 > 8 32 Se 0.68095062072444 0.87500000000000 0.98841877735628 78.960 > 8 *33 O 0.37847881719092 0.12500000000000 0.35061972706427 15.999 > 9 34 O 0.37847881719092 0.62500000000000 0.35061972706427 15.999 > 9 35 O 0.37847881719092 0.12500000000000 0.85061972706427 15.999 > 9 36 O 0.37847881719092 0.62500000000000 0.85061972706427 15.999 > 9 *37 O 0.62527441303296 0.47790346354725 0.41473584075878 15.999 > 10 38 O 0.62527441303296 0.97790346354725 0.41473584075878 15.999 > 10 39 O 0.62527441303296 0.47790346354725 0.91473584075878 15.999 > 10 40 O 0.62527441303296 0.97790346354725 0.91473584075878 15.999 > 10 *41 O 0.36601157582575 0.37500000000000 0.27769548713562 15.999 > 11 42 O 0.36601157582575 0.87500000000000 0.27769548713562 15.999 > 11 43 O 0.36601157582575 0.37500000000000 0.77769548713562 15.999 > 11 44 O 0.36601157582575 0.87500000000000 0.77769548713562 15.999 > 11 45 O 0.87472558696704 0.02209653645275 0.16473584075878 15.999 > 12 46 O 0.87472558696704 0.52209653645275 0.16473584075878 15.999 > 12 47 O 0.87472558696704 0.02209653645275 0.66473584075878 15.999 > 12 48 O 0.87472558696704 0.52209653645275 0.66473584075878 15.999 > 12 49 O 0.12527441303296 0.27209653645275 0.33526415924122 15.999 > 13 50 O 0.12527441303296 0.77209653645275 0.33526415924122 15.999 > 13 51 O 0.12527441303296 0.27209653645275 0.83526415924122 15.999 > 13 52 O 0.12527441303296 0.77209653645275 0.83526415924122 15.999 > 13 53 O 0.86601157582575 0.37500000000000 0.47230451286438 15.999 > 14 54 O 0.86601157582575 0.87500000000000 0.47230451286438 15.999 > 14 55 O 0.86601157582575 0.37500000000000 0.97230451286438 15.999 > 14 56 O 0.86601157582575 0.87500000000000 0.97230451286438 15.999 > 14 57 O 0.63398842417425 0.12500000000000 0.22230451286438 15.999 > 15 58 O 0.63398842417425 0.62500000000000 0.22230451286438 15.999 > 15 59 O 0.63398842417425 0.12500000000000 0.72230451286438 15.999 > 15 60 O 0.63398842417425 0.62500000000000 0.72230451286438 15.999 > 15 61 O 0.12527441303296 0.47790346354725 0.33526415924122 15.999 > 16 62 O 0.12527441303296 0.97790346354725 0.33526415924122 15.999 > 16 63 O 0.12527441303296 0.47790346354725 0.83526415924122 15.999 > 16 64 O 0.12527441303296 0.97790346354725 0.83526415924122 15.999 > 16 65 O 0.62152118280908 0.37500000000000 0.14938027293573 15.999 > 17 66 O 0.62152118280908 0.87500000000000 0.14938027293573 15.999 > 17 67 O 0.62152118280908 0.37500000000000 0.64938027293573 15.999 > 17 68 O 0.62152118280908 0.87500000000000 0.64938027293573 15.999 > 17 69 O 0.62527441303296 0.27209653645275 0.41473584075878 15.999 > 18 70 O 0.62527441303296 0.77209653645275 0.41473584075878 15.999 > 18 71 O 0.62527441303296 0.27209653645275 0.91473584075878 15.999 > 18 72 O 0.62527441303296 0.77209653645275 0.91473584075878 15.999 > 18 73 O 0.87847881719092 0.12500000000000 0.39938027293573 15.999 > 19 74 O 0.87847881719092 0.62500000000000 0.39938027293573 15.999 > 19 75 O 0.87847881719092 0.12500000000000 0.89938027293573 15.999 > 19 76 O 0.87847881719092 0.62500000000000 0.89938027293573 15.999 > 19 77 O 0.13398842417425 0.12500000000000 0.02769548713562 15.999 > 20 78 O 0.13398842417425 0.62500000000000 0.02769548713562 15.999 > 20 79 O 0.13398842417425 0.12500000000000 0.52769548713562 15.999 > 20 80 O 0.13398842417425 0.62500000000000 0.52769548713562 15.999 > 20 81 O 0.87472558696704 0.22790346354725 0.16473584075878 15.999 > 21 82 O 0.87472558696704 0.72790346354725 0.16473584075878 15.999 > 21 83 O 0.87472558696704 0.22790346354725 0.66473584075878 15.999 > 21 84 O 0.87472558696704 0.72790346354725 0.66473584075878 15.999 > 21 85 O 0.12152118280908 0.37500000000000 0.10061972706427 15.999 > 22 86 O 0.12152118280908 0.87500000000000 0.10061972706427 15.999 > 22 87 O 0.12152118280908 0.37500000000000 0.60061972706427 15.999 > 22 88 O 0.12152118280908 0.87500000000000 0.60061972706427 15.999 > 22 89 O 0.37472558696704 0.02209653645275 0.08526415924122 15.999 > 23 90 O 0.37472558696704 0.52209653645275 0.08526415924122 15.999 > 23 91 O 0.37472558696704 0.02209653645275 0.58526415924122 15.999 > 23 92 O 0.37472558696704 0.52209653645275 0.58526415924122 15.999 > 23 93 O 0.37472558696704 0.22790346354725 0.08526415924122 15.999 > 24 94 O 0.37472558696704 0.72790346354725 0.08526415924122 15.999 > 24 95 O 0.37472558696704 0.22790346354725 0.58526415924122 15.999 > 24 96 O 0.37472558696704 0.72790346354725 0.58526415924122 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0448257 0.0000000 0.0000000 0.0000000 2.9845466 0.0000000 0.0000000 0.0000000 3.0507844 -------------------------- Born effective charges -------------------------- 1 Mg 2.5050424 -0.3117551 -0.0314889 0.2846052 2.2154608 -0.3382191 -0.0452170 0.5056645 2.3789248 2 Mg 2.5050424 0.3117551 0.0314889 -0.2846052 2.2154608 -0.3382191 0.0452170 0.5056645 2.3789248 3 Mg 2.5050424 0.3117551 -0.0314889 -0.2846052 2.2154608 0.3382191 -0.0452170 -0.5056645 2.3789248 4 Mg 2.5050424 -0.3117551 0.0314889 0.2846052 2.2154608 0.3382191 0.0452170 -0.5056645 2.3789248 5 Se 3.3975073 0.0000000 0.1532758 0.0000000 3.3929895 0.0000000 -0.3683271 0.0000000 3.4865873 6 Se 3.3975073 0.0000000 -0.1532758 0.0000000 3.3929895 0.0000000 0.3683271 0.0000000 3.4865873 7 Se 3.3975073 0.0000000 0.1532758 0.0000000 3.3929895 0.0000000 -0.3683271 0.0000000 3.4865873 8 Se 3.3975073 0.0000000 -0.1532758 0.0000000 3.3929895 0.0000000 0.3683271 0.0000000 3.4865873 9 O -1.1972803 0.0000000 0.6219594 0.0000000 -1.2675352 0.0000000 0.4932216 0.0000000 -1.9915523 10 O -1.1617519 0.2411625 -0.2906899 0.2896923 -1.4751950 0.4531545 -0.3585918 0.3811785 -1.4514729 11 O -2.3817656 0.0000000 -0.0725627 0.0000000 -1.3905250 0.0000000 0.1123500 0.0000000 -0.9710142 12 O -1.1617519 0.2411625 0.2906899 0.2896923 -1.4751950 -0.4531545 0.3585918 -0.3811785 -1.4514729 13 O -1.1617519 -0.2411625 0.2906899 -0.2896923 -1.4751950 0.4531545 0.3585918 0.3811785 -1.4514729 14 O -2.3817656 0.0000000 0.0725627 0.0000000 -1.3905250 0.0000000 -0.1123500 0.0000000 -0.9710142 15 O -2.3817656 0.0000000 -0.0725627 0.0000000 -1.3905250 0.0000000 0.1123500 0.0000000 -0.9710142 16 O -1.1617519 0.2411625 0.2906899 0.2896923 -1.4751950 -0.4531545 0.3585918 -0.3811785 -1.4514729 17 O -1.1972803 0.0000000 0.6219594 0.0000000 -1.2675352 0.0000000 0.4932216 0.0000000 -1.9915523 18 O -1.1617519 -0.2411625 -0.2906899 -0.2896923 -1.4751950 -0.4531545 -0.3585918 -0.3811785 -1.4514729 19 O -1.1972803 0.0000000 -0.6219594 0.0000000 -1.2675352 0.0000000 -0.4932216 0.0000000 -1.9915523 20 O -2.3817656 0.0000000 0.0725627 0.0000000 -1.3905250 0.0000000 -0.1123500 0.0000000 -0.9710142 21 O -1.1617519 -0.2411625 0.2906899 -0.2896923 -1.4751950 0.4531545 0.3585918 0.3811785 -1.4514729 22 O -1.1972803 0.0000000 -0.6219594 0.0000000 -1.2675352 0.0000000 -0.4932216 0.0000000 -1.9915523 23 O -1.1617519 0.2411625 -0.2906899 0.2896923 -1.4751950 0.4531545 -0.3585918 0.3811785 -1.4514729 24 O -1.1617519 -0.2411625 -0.2906899 -0.2896923 -1.4751950 -0.4531545 -0.3585918 -0.3811785 -1.4514729 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1413 Number of blocks in projector: 1413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.546 Solver_block: 200 / 400 - Time: 1.546 Solver_block: 300 / 400 - Time: 1.549 Solver_block: 400 / 400 - Time: 1.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.225 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1413 Number of blocks in projector: 1413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), 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 16:15:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:15:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.069586480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.740424170000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.922981320000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 5 Se 0.81904937927556 0.25000000000000 0.47683755471256 78.960 6 Se 0.31904937927556 0.25000000000000 0.02316244528744 78.960 7 Se 0.18095062072444 0.75000000000000 0.52316244528744 78.960 8 Se 0.68095062072444 0.75000000000000 0.97683755471256 78.960 9 O 0.37847881719092 0.25000000000000 0.70123945412854 15.999 10 O 0.62527441303296 0.95580692709450 0.82947168151757 15.999 11 O 0.36601157582575 0.75000000000000 0.55539097427124 15.999 12 O 0.87472558696704 0.04419307290550 0.32947168151757 15.999 13 O 0.12527441303296 0.54419307290550 0.67052831848243 15.999 14 O 0.86601157582575 0.75000000000000 0.94460902572876 15.999 15 O 0.63398842417425 0.25000000000000 0.44460902572876 15.999 16 O 0.12527441303296 0.95580692709450 0.67052831848243 15.999 17 O 0.62152118280908 0.75000000000000 0.29876054587146 15.999 18 O 0.62527441303296 0.54419307290550 0.82947168151757 15.999 19 O 0.87847881719092 0.25000000000000 0.79876054587146 15.999 20 O 0.13398842417425 0.25000000000000 0.05539097427124 15.999 21 O 0.87472558696704 0.45580692709450 0.32947168151757 15.999 22 O 0.12152118280908 0.75000000000000 0.20123945412854 15.999 23 O 0.37472558696704 0.04419307290550 0.17052831848243 15.999 24 O 0.37472558696704 0.45580692709450 0.17052831848243 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.069586480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.480848340000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845962640000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 1 3 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 1 4 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 1 5 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 5 6 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 5 7 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 5 8 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 5 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 10 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 9 11 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 12 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 9 13 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 13 14 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 13 15 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 13 16 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 13 17 Se 0.81904937927556 0.12500000000000 0.23841877735628 78.960 > 17 18 Se 0.81904937927556 0.62500000000000 0.23841877735628 78.960 > 17 19 Se 0.81904937927556 0.12500000000000 0.73841877735628 78.960 > 17 20 Se 0.81904937927556 0.62500000000000 0.73841877735628 78.960 > 17 21 Se 0.31904937927556 0.12500000000000 0.01158122264372 78.960 > 21 22 Se 0.31904937927556 0.62500000000000 0.01158122264372 78.960 > 21 23 Se 0.31904937927556 0.12500000000000 0.51158122264372 78.960 > 21 24 Se 0.31904937927556 0.62500000000000 0.51158122264372 78.960 > 21 25 Se 0.18095062072444 0.37500000000000 0.26158122264372 78.960 > 25 26 Se 0.18095062072444 0.87500000000000 0.26158122264372 78.960 > 25 27 Se 0.18095062072444 0.37500000000000 0.76158122264372 78.960 > 25 28 Se 0.18095062072444 0.87500000000000 0.76158122264372 78.960 > 25 29 Se 0.68095062072444 0.37500000000000 0.48841877735628 78.960 > 29 30 Se 0.68095062072444 0.87500000000000 0.48841877735628 78.960 > 29 31 Se 0.68095062072444 0.37500000000000 0.98841877735628 78.960 > 29 32 Se 0.68095062072444 0.87500000000000 0.98841877735628 78.960 > 29 33 O 0.37847881719092 0.12500000000000 0.35061972706427 15.999 > 33 34 O 0.37847881719092 0.62500000000000 0.35061972706427 15.999 > 33 35 O 0.37847881719092 0.12500000000000 0.85061972706427 15.999 > 33 36 O 0.37847881719092 0.62500000000000 0.85061972706427 15.999 > 33 37 O 0.62527441303296 0.47790346354725 0.41473584075878 15.999 > 37 38 O 0.62527441303296 0.97790346354725 0.41473584075878 15.999 > 37 39 O 0.62527441303296 0.47790346354725 0.91473584075878 15.999 > 37 40 O 0.62527441303296 0.97790346354725 0.91473584075878 15.999 > 37 41 O 0.36601157582575 0.37500000000000 0.27769548713562 15.999 > 41 42 O 0.36601157582575 0.87500000000000 0.27769548713562 15.999 > 41 43 O 0.36601157582575 0.37500000000000 0.77769548713562 15.999 > 41 44 O 0.36601157582575 0.87500000000000 0.77769548713562 15.999 > 41 45 O 0.87472558696704 0.02209653645275 0.16473584075878 15.999 > 45 46 O 0.87472558696704 0.52209653645275 0.16473584075878 15.999 > 45 47 O 0.87472558696704 0.02209653645275 0.66473584075878 15.999 > 45 48 O 0.87472558696704 0.52209653645275 0.66473584075878 15.999 > 45 49 O 0.12527441303296 0.27209653645275 0.33526415924122 15.999 > 49 50 O 0.12527441303296 0.77209653645275 0.33526415924122 15.999 > 49 51 O 0.12527441303296 0.27209653645275 0.83526415924122 15.999 > 49 52 O 0.12527441303296 0.77209653645275 0.83526415924122 15.999 > 49 53 O 0.86601157582575 0.37500000000000 0.47230451286438 15.999 > 53 54 O 0.86601157582575 0.87500000000000 0.47230451286438 15.999 > 53 55 O 0.86601157582575 0.37500000000000 0.97230451286438 15.999 > 53 56 O 0.86601157582575 0.87500000000000 0.97230451286438 15.999 > 53 57 O 0.63398842417425 0.12500000000000 0.22230451286438 15.999 > 57 58 O 0.63398842417425 0.62500000000000 0.22230451286438 15.999 > 57 59 O 0.63398842417425 0.12500000000000 0.72230451286438 15.999 > 57 60 O 0.63398842417425 0.62500000000000 0.72230451286438 15.999 > 57 61 O 0.12527441303296 0.47790346354725 0.33526415924122 15.999 > 61 62 O 0.12527441303296 0.97790346354725 0.33526415924122 15.999 > 61 63 O 0.12527441303296 0.47790346354725 0.83526415924122 15.999 > 61 64 O 0.12527441303296 0.97790346354725 0.83526415924122 15.999 > 61 65 O 0.62152118280908 0.37500000000000 0.14938027293573 15.999 > 65 66 O 0.62152118280908 0.87500000000000 0.14938027293573 15.999 > 65 67 O 0.62152118280908 0.37500000000000 0.64938027293573 15.999 > 65 68 O 0.62152118280908 0.87500000000000 0.64938027293573 15.999 > 65 69 O 0.62527441303296 0.27209653645275 0.41473584075878 15.999 > 69 70 O 0.62527441303296 0.77209653645275 0.41473584075878 15.999 > 69 71 O 0.62527441303296 0.27209653645275 0.91473584075878 15.999 > 69 72 O 0.62527441303296 0.77209653645275 0.91473584075878 15.999 > 69 73 O 0.87847881719092 0.12500000000000 0.39938027293573 15.999 > 73 74 O 0.87847881719092 0.62500000000000 0.39938027293573 15.999 > 73 75 O 0.87847881719092 0.12500000000000 0.89938027293573 15.999 > 73 76 O 0.87847881719092 0.62500000000000 0.89938027293573 15.999 > 73 77 O 0.13398842417425 0.12500000000000 0.02769548713562 15.999 > 77 78 O 0.13398842417425 0.62500000000000 0.02769548713562 15.999 > 77 79 O 0.13398842417425 0.12500000000000 0.52769548713562 15.999 > 77 80 O 0.13398842417425 0.62500000000000 0.52769548713562 15.999 > 77 81 O 0.87472558696704 0.22790346354725 0.16473584075878 15.999 > 81 82 O 0.87472558696704 0.72790346354725 0.16473584075878 15.999 > 81 83 O 0.87472558696704 0.22790346354725 0.66473584075878 15.999 > 81 84 O 0.87472558696704 0.72790346354725 0.66473584075878 15.999 > 81 85 O 0.12152118280908 0.37500000000000 0.10061972706427 15.999 > 85 86 O 0.12152118280908 0.87500000000000 0.10061972706427 15.999 > 85 87 O 0.12152118280908 0.37500000000000 0.60061972706427 15.999 > 85 88 O 0.12152118280908 0.87500000000000 0.60061972706427 15.999 > 85 89 O 0.37472558696704 0.02209653645275 0.08526415924122 15.999 > 89 90 O 0.37472558696704 0.52209653645275 0.08526415924122 15.999 > 89 91 O 0.37472558696704 0.02209653645275 0.58526415924122 15.999 > 89 92 O 0.37472558696704 0.52209653645275 0.58526415924122 15.999 > 89 93 O 0.37472558696704 0.22790346354725 0.08526415924122 15.999 > 93 94 O 0.37472558696704 0.72790346354725 0.08526415924122 15.999 > 93 95 O 0.37472558696704 0.22790346354725 0.58526415924122 15.999 > 93 96 O 0.37472558696704 0.72790346354725 0.58526415924122 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0448257 0.0000000 0.0000000 0.0000000 2.9845466 0.0000000 0.0000000 0.0000000 3.0507844 -------------------------- Born effective charges -------------------------- 1 Mg 2.5050424 -0.3117551 -0.0314889 0.2846052 2.2154608 -0.3382191 -0.0452170 0.5056645 2.3789248 2 Mg 2.5050424 0.3117551 0.0314889 -0.2846052 2.2154608 -0.3382191 0.0452170 0.5056645 2.3789248 3 Mg 2.5050424 0.3117551 -0.0314889 -0.2846052 2.2154608 0.3382191 -0.0452170 -0.5056645 2.3789248 4 Mg 2.5050424 -0.3117551 0.0314889 0.2846052 2.2154608 0.3382191 0.0452170 -0.5056645 2.3789248 5 Se 3.3975073 0.0000000 0.1532758 0.0000000 3.3929895 0.0000000 -0.3683271 0.0000000 3.4865873 6 Se 3.3975073 0.0000000 -0.1532758 0.0000000 3.3929895 0.0000000 0.3683271 0.0000000 3.4865873 7 Se 3.3975073 0.0000000 0.1532758 0.0000000 3.3929895 0.0000000 -0.3683271 0.0000000 3.4865873 8 Se 3.3975073 0.0000000 -0.1532758 0.0000000 3.3929895 0.0000000 0.3683271 0.0000000 3.4865873 9 O -1.1972803 0.0000000 0.6219594 0.0000000 -1.2675352 0.0000000 0.4932216 0.0000000 -1.9915523 10 O -1.1617519 0.2411625 -0.2906899 0.2896923 -1.4751950 0.4531545 -0.3585918 0.3811785 -1.4514729 11 O -2.3817656 0.0000000 -0.0725627 0.0000000 -1.3905250 0.0000000 0.1123500 0.0000000 -0.9710142 12 O -1.1617519 0.2411625 0.2906899 0.2896923 -1.4751950 -0.4531545 0.3585918 -0.3811785 -1.4514729 13 O -1.1617519 -0.2411625 0.2906899 -0.2896923 -1.4751950 0.4531545 0.3585918 0.3811785 -1.4514729 14 O -2.3817656 0.0000000 0.0725627 0.0000000 -1.3905250 0.0000000 -0.1123500 0.0000000 -0.9710142 15 O -2.3817656 0.0000000 -0.0725627 0.0000000 -1.3905250 0.0000000 0.1123500 0.0000000 -0.9710142 16 O -1.1617519 0.2411625 0.2906899 0.2896923 -1.4751950 -0.4531545 0.3585918 -0.3811785 -1.4514729 17 O -1.1972803 0.0000000 0.6219594 0.0000000 -1.2675352 0.0000000 0.4932216 0.0000000 -1.9915523 18 O -1.1617519 -0.2411625 -0.2906899 -0.2896923 -1.4751950 -0.4531545 -0.3585918 -0.3811785 -1.4514729 19 O -1.1972803 0.0000000 -0.6219594 0.0000000 -1.2675352 0.0000000 -0.4932216 0.0000000 -1.9915523 20 O -2.3817656 0.0000000 0.0725627 0.0000000 -1.3905250 0.0000000 -0.1123500 0.0000000 -0.9710142 21 O -1.1617519 -0.2411625 0.2906899 -0.2896923 -1.4751950 0.4531545 0.3585918 0.3811785 -1.4514729 22 O -1.1972803 0.0000000 -0.6219594 0.0000000 -1.2675352 0.0000000 -0.4932216 0.0000000 -1.9915523 23 O -1.1617519 0.2411625 -0.2906899 0.2896923 -1.4751950 0.4531545 -0.3585918 0.3811785 -1.4514729 24 O -1.1617519 -0.2411625 -0.2906899 -0.2896923 -1.4751950 -0.4531545 -0.3585918 -0.3811785 -1.4514729 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000018 (xzx) 0.00000018 (xzx) 0.00000018 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zy) 0.00000003 (zy) 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 16:15:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:15:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.069586480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.740424170000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.922981320000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 5 Se 0.81904937927556 0.25000000000000 0.47683755471256 78.960 6 Se 0.31904937927556 0.25000000000000 0.02316244528744 78.960 7 Se 0.18095062072444 0.75000000000000 0.52316244528744 78.960 8 Se 0.68095062072444 0.75000000000000 0.97683755471256 78.960 9 O 0.37847881719092 0.25000000000000 0.70123945412854 15.999 10 O 0.62527441303296 0.95580692709450 0.82947168151757 15.999 11 O 0.36601157582575 0.75000000000000 0.55539097427124 15.999 12 O 0.87472558696704 0.04419307290550 0.32947168151757 15.999 13 O 0.12527441303296 0.54419307290550 0.67052831848243 15.999 14 O 0.86601157582575 0.75000000000000 0.94460902572876 15.999 15 O 0.63398842417425 0.25000000000000 0.44460902572876 15.999 16 O 0.12527441303296 0.95580692709450 0.67052831848243 15.999 17 O 0.62152118280908 0.75000000000000 0.29876054587146 15.999 18 O 0.62527441303296 0.54419307290550 0.82947168151757 15.999 19 O 0.87847881719092 0.25000000000000 0.79876054587146 15.999 20 O 0.13398842417425 0.25000000000000 0.05539097427124 15.999 21 O 0.87472558696704 0.45580692709450 0.32947168151757 15.999 22 O 0.12152118280908 0.75000000000000 0.20123945412854 15.999 23 O 0.37472558696704 0.04419307290550 0.17052831848243 15.999 24 O 0.37472558696704 0.45580692709450 0.17052831848243 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.069586480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.480848340000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845962640000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 1 3 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 1 4 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 1 5 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 5 6 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 5 7 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 5 8 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 5 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 10 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 9 11 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 12 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 9 13 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 13 14 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 13 15 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 13 16 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 13 17 Se 0.81904937927556 0.12500000000000 0.23841877735628 78.960 > 17 18 Se 0.81904937927556 0.62500000000000 0.23841877735628 78.960 > 17 19 Se 0.81904937927556 0.12500000000000 0.73841877735628 78.960 > 17 20 Se 0.81904937927556 0.62500000000000 0.73841877735628 78.960 > 17 21 Se 0.31904937927556 0.12500000000000 0.01158122264372 78.960 > 21 22 Se 0.31904937927556 0.62500000000000 0.01158122264372 78.960 > 21 23 Se 0.31904937927556 0.12500000000000 0.51158122264372 78.960 > 21 24 Se 0.31904937927556 0.62500000000000 0.51158122264372 78.960 > 21 25 Se 0.18095062072444 0.37500000000000 0.26158122264372 78.960 > 25 26 Se 0.18095062072444 0.87500000000000 0.26158122264372 78.960 > 25 27 Se 0.18095062072444 0.37500000000000 0.76158122264372 78.960 > 25 28 Se 0.18095062072444 0.87500000000000 0.76158122264372 78.960 > 25 29 Se 0.68095062072444 0.37500000000000 0.48841877735628 78.960 > 29 30 Se 0.68095062072444 0.87500000000000 0.48841877735628 78.960 > 29 31 Se 0.68095062072444 0.37500000000000 0.98841877735628 78.960 > 29 32 Se 0.68095062072444 0.87500000000000 0.98841877735628 78.960 > 29 33 O 0.37847881719092 0.12500000000000 0.35061972706427 15.999 > 33 34 O 0.37847881719092 0.62500000000000 0.35061972706427 15.999 > 33 35 O 0.37847881719092 0.12500000000000 0.85061972706427 15.999 > 33 36 O 0.37847881719092 0.62500000000000 0.85061972706427 15.999 > 33 37 O 0.62527441303296 0.47790346354725 0.41473584075878 15.999 > 37 38 O 0.62527441303296 0.97790346354725 0.41473584075878 15.999 > 37 39 O 0.62527441303296 0.47790346354725 0.91473584075878 15.999 > 37 40 O 0.62527441303296 0.97790346354725 0.91473584075878 15.999 > 37 41 O 0.36601157582575 0.37500000000000 0.27769548713562 15.999 > 41 42 O 0.36601157582575 0.87500000000000 0.27769548713562 15.999 > 41 43 O 0.36601157582575 0.37500000000000 0.77769548713562 15.999 > 41 44 O 0.36601157582575 0.87500000000000 0.77769548713562 15.999 > 41 45 O 0.87472558696704 0.02209653645275 0.16473584075878 15.999 > 45 46 O 0.87472558696704 0.52209653645275 0.16473584075878 15.999 > 45 47 O 0.87472558696704 0.02209653645275 0.66473584075878 15.999 > 45 48 O 0.87472558696704 0.52209653645275 0.66473584075878 15.999 > 45 49 O 0.12527441303296 0.27209653645275 0.33526415924122 15.999 > 49 50 O 0.12527441303296 0.77209653645275 0.33526415924122 15.999 > 49 51 O 0.12527441303296 0.27209653645275 0.83526415924122 15.999 > 49 52 O 0.12527441303296 0.77209653645275 0.83526415924122 15.999 > 49 53 O 0.86601157582575 0.37500000000000 0.47230451286438 15.999 > 53 54 O 0.86601157582575 0.87500000000000 0.47230451286438 15.999 > 53 55 O 0.86601157582575 0.37500000000000 0.97230451286438 15.999 > 53 56 O 0.86601157582575 0.87500000000000 0.97230451286438 15.999 > 53 57 O 0.63398842417425 0.12500000000000 0.22230451286438 15.999 > 57 58 O 0.63398842417425 0.62500000000000 0.22230451286438 15.999 > 57 59 O 0.63398842417425 0.12500000000000 0.72230451286438 15.999 > 57 60 O 0.63398842417425 0.62500000000000 0.72230451286438 15.999 > 57 61 O 0.12527441303296 0.47790346354725 0.33526415924122 15.999 > 61 62 O 0.12527441303296 0.97790346354725 0.33526415924122 15.999 > 61 63 O 0.12527441303296 0.47790346354725 0.83526415924122 15.999 > 61 64 O 0.12527441303296 0.97790346354725 0.83526415924122 15.999 > 61 65 O 0.62152118280908 0.37500000000000 0.14938027293573 15.999 > 65 66 O 0.62152118280908 0.87500000000000 0.14938027293573 15.999 > 65 67 O 0.62152118280908 0.37500000000000 0.64938027293573 15.999 > 65 68 O 0.62152118280908 0.87500000000000 0.64938027293573 15.999 > 65 69 O 0.62527441303296 0.27209653645275 0.41473584075878 15.999 > 69 70 O 0.62527441303296 0.77209653645275 0.41473584075878 15.999 > 69 71 O 0.62527441303296 0.27209653645275 0.91473584075878 15.999 > 69 72 O 0.62527441303296 0.77209653645275 0.91473584075878 15.999 > 69 73 O 0.87847881719092 0.12500000000000 0.39938027293573 15.999 > 73 74 O 0.87847881719092 0.62500000000000 0.39938027293573 15.999 > 73 75 O 0.87847881719092 0.12500000000000 0.89938027293573 15.999 > 73 76 O 0.87847881719092 0.62500000000000 0.89938027293573 15.999 > 73 77 O 0.13398842417425 0.12500000000000 0.02769548713562 15.999 > 77 78 O 0.13398842417425 0.62500000000000 0.02769548713562 15.999 > 77 79 O 0.13398842417425 0.12500000000000 0.52769548713562 15.999 > 77 80 O 0.13398842417425 0.62500000000000 0.52769548713562 15.999 > 77 81 O 0.87472558696704 0.22790346354725 0.16473584075878 15.999 > 81 82 O 0.87472558696704 0.72790346354725 0.16473584075878 15.999 > 81 83 O 0.87472558696704 0.22790346354725 0.66473584075878 15.999 > 81 84 O 0.87472558696704 0.72790346354725 0.66473584075878 15.999 > 81 85 O 0.12152118280908 0.37500000000000 0.10061972706427 15.999 > 85 86 O 0.12152118280908 0.87500000000000 0.10061972706427 15.999 > 85 87 O 0.12152118280908 0.37500000000000 0.60061972706427 15.999 > 85 88 O 0.12152118280908 0.87500000000000 0.60061972706427 15.999 > 85 89 O 0.37472558696704 0.02209653645275 0.08526415924122 15.999 > 89 90 O 0.37472558696704 0.52209653645275 0.08526415924122 15.999 > 89 91 O 0.37472558696704 0.02209653645275 0.58526415924122 15.999 > 89 92 O 0.37472558696704 0.52209653645275 0.58526415924122 15.999 > 89 93 O 0.37472558696704 0.22790346354725 0.08526415924122 15.999 > 93 94 O 0.37472558696704 0.72790346354725 0.08526415924122 15.999 > 93 95 O 0.37472558696704 0.22790346354725 0.58526415924122 15.999 > 93 96 O 0.37472558696704 0.72790346354725 0.58526415924122 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0448257 0.0000000 0.0000000 0.0000000 2.9845466 0.0000000 0.0000000 0.0000000 3.0507844 -------------------------- Born effective charges -------------------------- 1 Mg 2.5050424 -0.3117551 -0.0314889 0.2846052 2.2154608 -0.3382191 -0.0452170 0.5056645 2.3789248 2 Mg 2.5050424 0.3117551 0.0314889 -0.2846052 2.2154608 -0.3382191 0.0452170 0.5056645 2.3789248 3 Mg 2.5050424 0.3117551 -0.0314889 -0.2846052 2.2154608 0.3382191 -0.0452170 -0.5056645 2.3789248 4 Mg 2.5050424 -0.3117551 0.0314889 0.2846052 2.2154608 0.3382191 0.0452170 -0.5056645 2.3789248 5 Se 3.3975073 0.0000000 0.1532758 0.0000000 3.3929895 0.0000000 -0.3683271 0.0000000 3.4865873 6 Se 3.3975073 0.0000000 -0.1532758 0.0000000 3.3929895 0.0000000 0.3683271 0.0000000 3.4865873 7 Se 3.3975073 0.0000000 0.1532758 0.0000000 3.3929895 0.0000000 -0.3683271 0.0000000 3.4865873 8 Se 3.3975073 0.0000000 -0.1532758 0.0000000 3.3929895 0.0000000 0.3683271 0.0000000 3.4865873 9 O -1.1972803 0.0000000 0.6219594 0.0000000 -1.2675352 0.0000000 0.4932216 0.0000000 -1.9915523 10 O -1.1617519 0.2411625 -0.2906899 0.2896923 -1.4751950 0.4531545 -0.3585918 0.3811785 -1.4514729 11 O -2.3817656 0.0000000 -0.0725627 0.0000000 -1.3905250 0.0000000 0.1123500 0.0000000 -0.9710142 12 O -1.1617519 0.2411625 0.2906899 0.2896923 -1.4751950 -0.4531545 0.3585918 -0.3811785 -1.4514729 13 O -1.1617519 -0.2411625 0.2906899 -0.2896923 -1.4751950 0.4531545 0.3585918 0.3811785 -1.4514729 14 O -2.3817656 0.0000000 0.0725627 0.0000000 -1.3905250 0.0000000 -0.1123500 0.0000000 -0.9710142 15 O -2.3817656 0.0000000 -0.0725627 0.0000000 -1.3905250 0.0000000 0.1123500 0.0000000 -0.9710142 16 O -1.1617519 0.2411625 0.2906899 0.2896923 -1.4751950 -0.4531545 0.3585918 -0.3811785 -1.4514729 17 O -1.1972803 0.0000000 0.6219594 0.0000000 -1.2675352 0.0000000 0.4932216 0.0000000 -1.9915523 18 O -1.1617519 -0.2411625 -0.2906899 -0.2896923 -1.4751950 -0.4531545 -0.3585918 -0.3811785 -1.4514729 19 O -1.1972803 0.0000000 -0.6219594 0.0000000 -1.2675352 0.0000000 -0.4932216 0.0000000 -1.9915523 20 O -2.3817656 0.0000000 0.0725627 0.0000000 -1.3905250 0.0000000 -0.1123500 0.0000000 -0.9710142 21 O -1.1617519 -0.2411625 0.2906899 -0.2896923 -1.4751950 0.4531545 0.3585918 0.3811785 -1.4514729 22 O -1.1972803 0.0000000 -0.6219594 0.0000000 -1.2675352 0.0000000 -0.4932216 0.0000000 -1.9915523 23 O -1.1617519 0.2411625 -0.2906899 0.2896923 -1.4751950 0.4531545 -0.3585918 0.3811785 -1.4514729 24 O -1.1617519 -0.2411625 -0.2906899 -0.2896923 -1.4751950 -0.4531545 -0.3585918 -0.3811785 -1.4514729 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000018 (xzx) 0.00000018 (xzx) 0.00000018 (xxz) 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 ... [ 6 7 10 ] 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: 0.62, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.208 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 11.490 ( 0.000 0.000 0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 11.604 ( 0.000 0.000 0.000) 0.000 11.768 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 12.354 ( 0.000 0.000 0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 13.255 ( 0.000 0.000 0.000) 0.000 14.207 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 15.159 ( 0.000 0.000 0.000) 0.000 15.283 ( 0.000 0.000 0.000) 0.000 16.176 ( 0.000 0.000 0.000) 0.000 23.331 ( 0.000 0.000 0.000) 0.000 23.537 ( 0.000 0.000 0.000) 0.000 23.580 ( 0.000 0.000 0.000) 0.000 23.585 ( 0.000 0.000 0.000) 0.000 24.024 ( 0.000 0.000 0.000) 0.000 24.257 ( 0.000 0.000 0.000) 0.000 24.829 ( 0.000 0.000 0.000) 0.000 25.558 ( 0.000 0.000 0.000) 0.000 26.242 ( 0.000 0.000 0.000) 0.000 26.610 ( 0.000 0.000 0.000) 0.000 26.862 ( 0.000 0.000 0.000) 0.000 26.970 ( 0.000 0.000 0.000) 0.000 27.253 ( 0.000 0.000 0.000) 0.000 27.259 ( 0.000 0.000 0.000) 0.000 27.328 ( 0.000 0.000 0.000) 0.000 27.822 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 28.101 0.000 0.000) 28.101 0.690 ( 36.791 0.000 0.000) 36.791 1.236 ( 66.331 0.000 0.000) 66.331 1.787 ( -5.850 0.000 0.000) 5.850 2.698 ( -15.247 0.000 0.000) 15.247 3.103 ( 4.975 0.000 0.000) 4.975 3.484 ( -7.042 0.000 0.000) 7.042 3.603 ( 6.216 0.000 0.000) 6.216 3.790 ( 7.877 0.000 0.000) 7.877 3.843 ( 8.894 0.000 0.000) 8.894 3.943 ( 11.764 0.000 0.000) 11.764 4.426 ( -8.733 0.000 0.000) 8.733 4.433 ( 5.886 0.000 0.000) 5.886 4.924 ( 5.492 0.000 0.000) 5.492 4.980 ( -6.701 0.000 0.000) 6.701 5.048 ( -5.485 0.000 0.000) 5.485 5.186 ( -2.483 0.000 0.000) 2.483 5.256 ( 4.211 0.000 0.000) 4.211 5.392 ( -6.107 0.000 0.000) 6.107 5.769 ( -5.351 0.000 0.000) 5.351 6.215 ( -8.267 0.000 0.000) 8.267 6.395 ( -13.607 0.000 0.000) 13.607 6.466 ( -17.628 0.000 0.000) 17.628 6.569 ( -8.579 0.000 0.000) 8.579 7.027 ( 1.937 0.000 0.000) 1.937 7.072 ( 5.757 0.000 0.000) 5.757 7.444 ( -1.206 0.000 0.000) 1.206 7.558 ( -17.039 0.000 0.000) 17.039 8.191 ( 15.978 0.000 0.000) 15.978 8.634 ( 11.817 0.000 0.000) 11.817 8.773 ( 20.113 0.000 0.000) 20.113 9.274 ( 5.887 0.000 0.000) 5.887 9.540 ( 2.638 0.000 0.000) 2.638 9.750 ( -0.620 0.000 0.000) 0.620 10.057 ( -7.218 0.000 0.000) 7.218 10.620 ( -15.120 0.000 0.000) 15.120 10.730 ( 3.658 0.000 0.000) 3.658 10.844 ( 3.512 0.000 0.000) 3.512 11.022 ( -0.837 0.000 0.000) 0.837 11.220 ( -3.244 0.000 0.000) 3.244 11.324 ( 1.809 0.000 0.000) 1.809 11.504 ( 1.383 0.000 0.000) 1.383 11.591 ( -1.574 0.000 0.000) 1.574 11.597 ( 8.468 0.000 0.000) 8.468 11.712 ( -4.991 0.000 0.000) 4.991 12.098 ( 1.055 0.000 0.000) 1.055 12.213 ( 5.249 0.000 0.000) 5.249 12.387 ( 2.106 0.000 0.000) 2.106 12.658 ( -7.961 0.000 0.000) 7.961 12.853 ( -13.251 0.000 0.000) 13.251 14.201 ( 1.536 0.000 0.000) 1.536 14.296 ( 8.638 0.000 0.000) 8.638 14.398 ( -1.561 0.000 0.000) 1.561 15.019 ( -9.313 0.000 0.000) 9.313 15.453 ( 12.151 0.000 0.000) 12.151 16.142 ( -3.645 0.000 0.000) 3.645 23.349 ( 1.830 0.000 0.000) 1.830 23.517 ( -3.040 0.000 0.000) 3.040 23.666 ( 4.884 0.000 0.000) 4.884 23.996 ( -2.749 0.000 0.000) 2.749 24.277 ( 4.317 0.000 0.000) 4.317 24.789 ( -4.292 0.000 0.000) 4.292 25.484 ( 0.668 0.000 0.000) 0.668 25.554 ( -0.462 0.000 0.000) 0.462 26.261 ( 2.118 0.000 0.000) 2.118 26.577 ( -3.401 0.000 0.000) 3.401 26.978 ( 0.865 0.000 0.000) 0.865 27.184 ( -4.661 0.000 0.000) 4.661 27.289 ( 3.126 0.000 0.000) 3.126 27.411 ( 6.167 0.000 0.000) 6.167 27.583 ( -2.051 0.000 0.000) 2.051 27.800 ( -2.374 0.000 0.000) 2.374 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 22.419 0.000 0.000) 22.419 1.338 ( 33.325 0.000 0.000) 33.325 1.623 ( -11.221 0.000 0.000) 11.221 2.359 ( -21.597 0.000 0.000) 21.597 2.433 ( 62.768 0.000 0.000) 62.768 3.186 ( 4.248 0.000 0.000) 4.248 3.364 ( -5.902 0.000 0.000) 5.902 3.758 ( 10.310 0.000 0.000) 10.310 3.929 ( 7.021 0.000 0.000) 7.021 4.028 ( 6.316 0.000 0.000) 6.316 4.080 ( 1.486 0.000 0.000) 1.486 4.228 ( -13.075 0.000 0.000) 13.075 4.606 ( -32.664 0.000 0.000) 32.664 4.680 ( 19.540 0.000 0.000) 19.540 4.798 ( -12.856 0.000 0.000) 12.856 5.093 ( 13.776 0.000 0.000) 13.776 5.226 ( -10.121 0.000 0.000) 10.121 5.270 ( 11.227 0.000 0.000) 11.227 5.377 ( 6.702 0.000 0.000) 6.702 5.852 ( 10.638 0.000 0.000) 10.638 5.914 ( -20.768 0.000 0.000) 20.768 6.120 ( -17.846 0.000 0.000) 17.846 6.222 ( -7.615 0.000 0.000) 7.615 6.262 ( -23.664 0.000 0.000) 23.664 7.073 ( 2.848 0.000 0.000) 2.848 7.135 ( 1.013 0.000 0.000) 1.013 7.351 ( -4.350 0.000 0.000) 4.350 7.404 ( -2.950 0.000 0.000) 2.950 8.503 ( 15.981 0.000 0.000) 15.981 8.779 ( 2.920 0.000 0.000) 2.920 9.218 ( 26.154 0.000 0.000) 26.154 9.428 ( 10.462 0.000 0.000) 10.462 9.596 ( 2.935 0.000 0.000) 2.935 9.734 ( -1.114 0.000 0.000) 1.114 9.885 ( -10.663 0.000 0.000) 10.663 10.258 ( -22.966 0.000 0.000) 22.966 10.821 ( 5.911 0.000 0.000) 5.911 10.927 ( 5.228 0.000 0.000) 5.228 10.995 ( -2.346 0.000 0.000) 2.346 11.138 ( -5.426 0.000 0.000) 5.426 11.370 ( 3.252 0.000 0.000) 3.252 11.536 ( -4.508 0.000 0.000) 4.508 11.537 ( 2.044 0.000 0.000) 2.044 11.627 ( -3.513 0.000 0.000) 3.513 11.815 ( 14.787 0.000 0.000) 14.787 12.131 ( 2.421 0.000 0.000) 2.421 12.315 ( 5.313 0.000 0.000) 5.313 12.415 ( 0.449 0.000 0.000) 0.449 12.478 ( -10.388 0.000 0.000) 10.388 12.554 ( -17.702 0.000 0.000) 17.702 14.242 ( 2.802 0.000 0.000) 2.802 14.357 ( -2.787 0.000 0.000) 2.787 14.482 ( 10.769 0.000 0.000) 10.769 14.850 ( -9.181 0.000 0.000) 9.181 15.679 ( 12.043 0.000 0.000) 12.043 16.043 ( -7.100 0.000 0.000) 7.100 23.390 ( 2.346 0.000 0.000) 2.346 23.469 ( -2.248 0.000 0.000) 2.248 23.759 ( 5.143 0.000 0.000) 5.143 23.933 ( -4.020 0.000 0.000) 4.020 24.384 ( 7.139 0.000 0.000) 7.139 24.679 ( -7.411 0.000 0.000) 7.411 25.500 ( 1.100 0.000 0.000) 1.100 25.541 ( -0.898 0.000 0.000) 0.898 26.318 ( 3.920 0.000 0.000) 3.920 26.496 ( -5.044 0.000 0.000) 5.044 27.003 ( 1.780 0.000 0.000) 1.780 27.105 ( -3.815 0.000 0.000) 3.815 27.363 ( 4.639 0.000 0.000) 4.639 27.529 ( 6.426 0.000 0.000) 6.426 27.529 ( -3.722 0.000 0.000) 3.722 27.737 ( -4.394 0.000 0.000) 4.394 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -16.470 0.000 0.000) 16.470 1.369 ( 16.470 0.000 0.000) 16.470 1.903 ( -27.930 0.000 0.000) 27.930 1.903 ( 27.930 0.000 0.000) 27.930 3.267 ( -4.738 0.000 0.000) 4.738 3.267 ( 4.738 0.000 0.000) 4.738 3.521 ( -53.933 0.000 0.000) 53.933 3.521 ( 53.933 0.000 0.000) 53.933 3.965 ( -11.635 0.000 0.000) 11.635 3.965 ( 11.635 0.000 0.000) 11.635 4.040 ( -4.677 0.000 0.000) 4.677 4.040 ( 4.677 0.000 0.000) 4.677 4.533 ( -14.210 0.000 0.000) 14.210 4.533 ( 14.210 0.000 0.000) 14.210 5.005 ( -14.293 0.000 0.000) 14.293 5.005 ( 14.293 0.000 0.000) 14.293 5.395 ( -11.654 0.000 0.000) 11.654 5.395 ( 11.654 0.000 0.000) 11.654 5.546 ( -18.187 0.000 0.000) 18.187 5.546 ( 18.187 0.000 0.000) 18.187 5.924 ( -2.959 0.000 0.000) 2.959 5.924 ( 2.959 0.000 0.000) 2.959 6.057 ( -10.540 0.000 0.000) 10.540 6.057 ( 10.540 0.000 0.000) 10.540 7.122 ( -2.090 0.000 0.000) 2.090 7.122 ( 2.090 0.000 0.000) 2.090 7.349 ( -2.472 0.000 0.000) 2.472 7.349 ( 2.472 0.000 0.000) 2.472 8.731 ( -8.003 0.000 0.000) 8.003 8.731 ( 8.003 0.000 0.000) 8.003 9.593 ( -5.364 0.000 0.000) 5.364 9.593 ( 5.364 0.000 0.000) 5.364 9.645 ( -9.539 0.000 0.000) 9.539 9.645 ( 9.539 0.000 0.000) 9.539 9.845 ( -16.319 0.000 0.000) 16.319 9.845 ( 16.319 0.000 0.000) 16.319 10.927 ( -5.063 0.000 0.000) 5.063 10.927 ( 5.063 0.000 0.000) 5.063 11.031 ( -5.965 0.000 0.000) 5.965 11.031 ( 5.965 0.000 0.000) 5.965 11.445 ( -4.814 0.000 0.000) 4.814 11.445 ( 4.814 0.000 0.000) 4.814 11.577 ( -2.348 0.000 0.000) 2.348 11.577 ( 2.348 0.000 0.000) 2.348 12.095 ( -12.041 0.000 0.000) 12.041 12.095 ( 12.041 0.000 0.000) 12.041 12.339 ( -0.922 0.000 0.000) 0.922 12.339 ( 0.922 0.000 0.000) 0.922 12.393 ( -2.861 0.000 0.000) 2.861 12.393 ( 2.861 0.000 0.000) 2.861 14.300 ( -3.288 0.000 0.000) 3.288 14.300 ( 3.288 0.000 0.000) 3.288 14.675 ( -10.019 0.000 0.000) 10.019 14.675 ( 10.019 0.000 0.000) 10.019 15.884 ( -10.073 0.000 0.000) 10.073 15.884 ( 10.073 0.000 0.000) 10.073 23.431 ( -2.099 0.000 0.000) 2.099 23.431 ( 2.099 0.000 0.000) 2.099 23.851 ( -4.801 0.000 0.000) 4.801 23.851 ( 4.801 0.000 0.000) 4.801 24.530 ( -8.424 0.000 0.000) 8.424 24.530 ( 8.424 0.000 0.000) 8.424 25.522 ( -1.164 0.000 0.000) 1.164 25.522 ( 1.164 0.000 0.000) 1.164 26.401 ( -5.041 0.000 0.000) 5.041 26.401 ( 5.041 0.000 0.000) 5.041 27.044 ( -2.775 0.000 0.000) 2.775 27.044 ( 2.775 0.000 0.000) 2.775 27.451 ( -4.688 0.000 0.000) 4.688 27.451 ( 4.688 0.000 0.000) 4.688 27.642 ( -5.792 0.000 0.000) 5.792 27.642 ( 5.792 0.000 0.000) 5.792 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 32.055 0.000) 32.055 0.759 ( 0.000 35.608 0.000) 35.608 1.033 ( 0.000 46.574 0.000) 46.574 1.923 ( 0.000 9.698 0.000) 9.698 2.905 ( 0.000 2.480 0.000) 2.480 3.142 ( 0.000 9.613 0.000) 9.613 3.406 ( 0.000 -11.411 0.000) 11.411 3.547 ( 0.000 -4.333 0.000) 4.333 3.810 ( 0.000 4.649 0.000) 4.649 3.865 ( 0.000 4.860 0.000) 4.860 4.034 ( 0.000 -24.943 0.000) 24.943 4.215 ( 0.000 6.997 0.000) 6.997 4.574 ( 0.000 5.917 0.000) 5.917 4.674 ( 0.000 -26.266 0.000) 26.266 4.974 ( 0.000 3.728 0.000) 3.728 5.086 ( 0.000 -0.822 0.000) 0.822 5.197 ( 0.000 -3.892 0.000) 3.892 5.271 ( 0.000 6.750 0.000) 6.750 5.456 ( 0.000 3.880 0.000) 3.880 5.904 ( 0.000 5.256 0.000) 5.256 5.905 ( 0.000 17.251 0.000) 17.251 6.512 ( 0.000 -8.555 0.000) 8.555 6.557 ( 0.000 -9.646 0.000) 9.646 6.632 ( 0.000 5.324 0.000) 5.324 6.760 ( 0.000 1.556 0.000) 1.556 6.874 ( 0.000 -12.160 0.000) 12.160 7.661 ( 0.000 18.004 0.000) 18.004 7.828 ( 0.000 -14.144 0.000) 14.144 8.029 ( 0.000 13.724 0.000) 13.724 8.357 ( 0.000 -10.058 0.000) 10.058 8.724 ( 0.000 0.580 0.000) 0.580 8.748 ( 0.000 11.957 0.000) 11.957 9.214 ( 0.000 -0.337 0.000) 0.337 9.744 ( 0.000 -0.608 0.000) 0.608 10.100 ( 0.000 -2.428 0.000) 2.428 10.153 ( 0.000 -5.216 0.000) 5.216 10.706 ( 0.000 0.985 0.000) 0.985 10.809 ( 0.000 0.007 0.000) 0.007 11.150 ( 0.000 -0.615 0.000) 0.615 11.277 ( 0.000 2.312 0.000) 2.312 11.424 ( 0.000 -4.163 0.000) 4.163 11.544 ( 0.000 2.325 0.000) 2.325 11.571 ( 0.000 -4.524 0.000) 4.524 11.616 ( 0.000 3.011 0.000) 3.011 11.733 ( 0.000 -1.255 0.000) 1.255 11.839 ( 0.000 -15.354 0.000) 15.354 12.256 ( 0.000 -8.813 0.000) 8.813 12.276 ( 0.000 2.949 0.000) 2.949 13.046 ( 0.000 5.009 0.000) 5.009 13.228 ( 0.000 -0.120 0.000) 0.120 13.235 ( 0.000 -1.424 0.000) 1.424 13.802 ( 0.000 -20.233 0.000) 20.233 14.839 ( 0.000 22.923 0.000) 22.923 15.407 ( 0.000 10.911 0.000) 10.911 16.150 ( 0.000 -2.507 0.000) 2.507 16.793 ( 0.000 -5.256 0.000) 5.256 23.340 ( 0.000 0.848 0.000) 0.848 23.525 ( 0.000 -1.056 0.000) 1.056 23.580 ( 0.000 -0.020 0.000) 0.020 23.584 ( 0.000 -0.136 0.000) 0.136 24.033 ( 0.000 0.796 0.000) 0.796 24.243 ( 0.000 -1.326 0.000) 1.326 24.856 ( 0.000 2.583 0.000) 2.583 25.529 ( 0.000 -2.844 0.000) 2.844 26.261 ( 0.000 1.835 0.000) 1.835 26.596 ( 0.000 -1.176 0.000) 1.176 26.805 ( 0.000 -4.923 0.000) 4.923 26.976 ( 0.000 -12.938 0.000) 12.938 27.373 ( 0.000 3.917 0.000) 3.917 27.488 ( 0.000 8.795 0.000) 8.795 27.884 ( 0.000 5.431 0.000) 5.431 28.504 ( 0.000 -2.066 0.000) 2.066 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 21.495 18.219 0.000) 28.177 0.856 ( 16.684 24.145 0.000) 29.348 1.684 ( 47.883 31.535 0.000) 57.334 1.880 ( -3.869 9.852 0.000) 10.585 2.748 ( -14.764 3.995 0.000) 15.295 3.170 ( 1.602 5.315 0.000) 5.552 3.397 ( -1.945 -10.786 0.000) 10.960 3.547 ( 1.503 -4.981 0.000) 5.203 3.828 ( 3.965 -0.432 0.000) 3.989 3.981 ( 3.579 -8.595 0.000) 9.311 4.034 ( -4.913 16.815 0.000) 17.518 4.061 ( 6.991 -8.598 0.000) 11.082 4.621 ( -1.759 -23.196 0.000) 23.263 4.622 ( 5.197 7.053 0.000) 8.761 4.991 ( -0.378 2.345 0.000) 2.375 5.058 ( -3.213 2.353 0.000) 3.982 5.204 ( -6.884 0.770 0.000) 6.927 5.356 ( 3.595 1.719 0.000) 3.985 5.669 ( -2.772 18.484 0.000) 18.690 5.849 ( 0.957 9.547 0.000) 9.595 5.908 ( 7.913 -17.720 0.000) 19.407 6.371 ( -13.334 -2.591 0.000) 13.583 6.513 ( -7.438 1.692 0.000) 7.628 6.579 ( -5.774 0.776 0.000) 5.826 6.882 ( 8.626 -6.799 0.000) 10.984 6.889 ( 1.674 -12.536 0.000) 12.647 7.535 ( -8.471 8.061 0.000) 11.694 7.723 ( -20.877 12.021 0.000) 24.090 8.028 ( 17.783 -11.050 0.000) 20.937 8.560 ( 13.217 -5.943 0.000) 14.492 8.919 ( 16.040 9.526 0.000) 18.655 9.093 ( 22.625 -16.117 0.000) 27.778 9.287 ( 8.031 -2.633 0.000) 8.452 9.729 ( -1.526 -1.418 0.000) 2.083 10.030 ( -7.263 -2.425 0.000) 7.657 10.188 ( 0.882 -13.999 0.000) 14.027 10.724 ( 1.708 -0.470 0.000) 1.772 10.855 ( 4.840 0.909 0.000) 4.924 11.028 ( -11.800 -0.010 0.000) 11.800 11.249 ( -3.057 0.996 0.000) 3.215 11.391 ( -0.834 -1.466 0.000) 1.687 11.537 ( -3.451 -6.264 0.000) 7.152 11.625 ( 1.573 4.992 0.000) 5.234 11.653 ( 9.595 4.196 0.000) 10.472 11.691 ( -2.493 0.039 0.000) 2.493 11.897 ( 4.438 -12.750 0.000) 13.500 12.291 ( 2.571 -8.592 0.000) 8.968 12.307 ( 3.049 2.710 0.000) 4.079 12.878 ( -17.762 11.300 0.000) 21.052 12.930 ( -11.596 6.317 0.000) 13.205 13.473 ( 8.837 -20.472 0.000) 22.298 13.812 ( 0.337 -22.348 0.000) 22.350 14.890 ( 5.439 23.742 0.000) 24.357 15.513 ( 9.757 8.963 0.000) 13.249 16.122 ( -3.030 -1.978 0.000) 3.618 16.149 ( -41.185 31.428 0.000) 51.807 23.359 ( 2.036 0.950 0.000) 2.247 23.524 ( -2.689 0.598 0.000) 2.755 23.656 ( 4.391 -0.860 0.000) 4.475 23.915 ( 2.655 -9.311 0.000) 9.683 24.254 ( 8.087 -2.611 0.000) 8.498 24.475 ( 43.258 -30.855 0.000) 53.135 24.814 ( -4.492 2.413 0.000) 5.099 25.515 ( -1.597 -3.713 0.000) 4.042 26.277 ( 1.775 1.718 0.000) 2.471 26.568 ( -2.915 -0.741 0.000) 3.007 26.813 ( 0.817 -6.104 0.000) 6.159 26.957 ( -1.937 -12.575 0.000) 12.724 27.397 ( 2.601 4.557 0.000) 5.247 27.530 ( 4.301 8.012 0.000) 9.094 27.841 ( -4.821 5.522 0.000) 7.330 28.214 ( -20.641 15.210 0.000) 25.640 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 18.112 15.697 0.000) 23.967 1.354 ( 31.566 3.447 0.000) 31.754 1.731 ( -9.714 10.020 0.000) 13.956 2.403 ( -22.433 3.548 0.000) 22.712 2.647 ( 52.708 17.752 0.000) 55.617 3.198 ( 1.843 -0.342 0.000) 1.875 3.327 ( -4.690 -6.985 0.000) 8.414 3.628 ( 6.620 -10.405 0.000) 12.332 3.854 ( -3.644 -16.443 0.000) 16.842 4.029 ( 3.540 -2.509 0.000) 4.339 4.037 ( 2.706 10.689 0.000) 11.027 4.191 ( 0.264 0.135 0.000) 0.296 4.492 ( -24.270 -2.932 0.000) 24.447 4.572 ( -4.369 -16.266 0.000) 16.843 5.004 ( 16.236 6.862 0.000) 17.627 5.032 ( 3.366 8.695 0.000) 9.324 5.304 ( 13.371 2.302 0.000) 13.568 5.350 ( -7.922 6.458 0.000) 10.221 5.537 ( -3.092 12.213 0.000) 12.598 5.864 ( -13.375 -1.872 0.000) 13.506 5.982 ( 10.087 10.430 0.000) 14.510 6.141 ( -11.612 -2.178 0.000) 11.814 6.286 ( -14.165 13.824 0.000) 19.793 6.425 ( -9.785 7.014 0.000) 12.040 6.932 ( 2.756 -12.538 0.000) 12.837 6.981 ( 2.050 -11.182 0.000) 11.368 7.412 ( -4.860 0.962 0.000) 4.954 7.428 ( -9.668 7.382 0.000) 12.164 8.395 ( 19.787 -8.801 0.000) 21.657 8.727 ( 3.815 -4.647 0.000) 6.013 9.256 ( 19.494 1.632 0.000) 19.562 9.380 ( 12.471 -5.650 0.000) 13.691 9.462 ( 8.291 -8.069 0.000) 11.570 9.691 ( -2.372 -3.469 0.000) 4.203 9.852 ( -11.412 -2.807 0.000) 11.752 10.066 ( -14.954 -15.793 0.000) 21.749 10.757 ( 1.705 -4.047 0.000) 4.391 10.841 ( -6.121 -4.255 0.000) 7.455 10.971 ( 7.072 2.064 0.000) 7.367 11.181 ( -4.197 -0.088 0.000) 4.198 11.398 ( 0.988 -0.184 0.000) 1.005 11.468 ( -3.421 -5.199 0.000) 6.223 11.641 ( 0.534 6.947 0.000) 6.967 11.660 ( -1.034 3.431 0.000) 3.583 11.893 ( 15.331 5.945 0.000) 16.444 11.984 ( 5.326 -10.716 0.000) 11.966 12.284 ( -4.728 -7.839 0.000) 9.154 12.360 ( 0.984 1.795 0.000) 2.047 12.635 ( -7.888 9.344 0.000) 12.228 12.676 ( -13.678 9.289 0.000) 16.534 13.604 ( 6.347 -28.614 0.000) 29.310 13.792 ( -2.744 -26.361 0.000) 26.503 15.033 ( 9.940 25.623 0.000) 27.484 15.566 ( -19.475 33.198 0.000) 38.489 15.731 ( 8.163 5.096 0.000) 9.623 16.039 ( -5.985 -0.473 0.000) 6.003 23.403 ( 2.506 1.302 0.000) 2.824 23.481 ( -2.020 1.108 0.000) 2.304 23.740 ( 4.600 -1.715 0.000) 4.909 23.889 ( -3.075 -4.037 0.000) 5.074 24.380 ( 7.746 -0.259 0.000) 7.750 24.698 ( -7.862 1.848 0.000) 8.076 25.086 ( 21.508 -27.385 0.000) 34.821 25.465 ( -4.058 -6.849 0.000) 7.961 26.327 ( 3.643 1.226 0.000) 3.843 26.496 ( -4.634 0.033 0.000) 4.634 26.835 ( 1.560 -8.344 0.000) 8.489 26.914 ( -2.526 -11.645 0.000) 11.915 27.466 ( 4.855 5.378 0.000) 7.246 27.634 ( 6.669 7.758 0.000) 10.231 27.714 ( -8.141 6.923 0.000) 10.686 27.931 ( -10.731 14.164 0.000) 17.770 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -14.178 11.211 0.000) 18.075 1.492 ( 14.178 11.211 0.000) 18.075 1.932 ( -28.411 2.658 0.000) 28.535 1.932 ( 28.411 2.658 0.000) 28.535 3.247 ( -3.583 -4.155 0.000) 5.486 3.247 ( 3.583 -4.155 0.000) 5.486 3.569 ( -43.948 3.732 0.000) 44.106 3.569 ( 43.948 3.732 0.000) 44.106 3.771 ( -10.190 -14.931 0.000) 18.077 3.771 ( 10.190 -14.931 0.000) 18.077 4.083 ( -1.604 5.845 0.000) 6.061 4.083 ( 1.604 5.845 0.000) 6.061 4.451 ( -8.108 -6.150 0.000) 10.177 4.451 ( 8.108 -6.150 0.000) 10.177 5.153 ( -9.869 6.461 0.000) 11.795 5.153 ( 9.869 6.461 0.000) 11.795 5.378 ( -18.496 4.827 0.000) 19.116 5.378 ( 18.496 4.827 0.000) 19.116 5.598 ( -16.093 3.014 0.000) 16.373 5.598 ( 16.093 3.014 0.000) 16.373 6.010 ( -3.058 7.883 0.000) 8.455 6.010 ( 3.058 7.883 0.000) 8.455 6.247 ( -9.336 14.922 0.000) 17.602 6.247 ( 9.336 14.922 0.000) 17.602 6.978 ( -1.806 -12.063 0.000) 12.198 6.978 ( 1.806 -12.063 0.000) 12.198 7.357 ( -0.622 1.003 0.000) 1.180 7.357 ( 0.622 1.003 0.000) 1.180 8.677 ( -9.483 -4.909 0.000) 10.679 8.677 ( 9.483 -4.909 0.000) 10.679 9.540 ( -3.445 -5.033 0.000) 6.100 9.540 ( 3.445 -5.033 0.000) 6.100 9.610 ( -11.857 -2.797 0.000) 12.183 9.610 ( 11.857 -2.797 0.000) 12.183 9.743 ( -12.800 -9.611 0.000) 16.007 9.743 ( 12.800 -9.611 0.000) 16.007 10.785 ( -1.490 -6.933 0.000) 7.092 10.785 ( 1.490 -6.933 0.000) 7.092 11.092 ( -5.720 0.934 0.000) 5.796 11.092 ( 5.720 0.934 0.000) 5.796 11.421 ( -1.703 -1.564 0.000) 2.312 11.421 ( 1.703 -1.564 0.000) 2.312 11.648 ( -0.360 6.074 0.000) 6.084 11.648 ( 0.360 6.074 0.000) 6.084 12.092 ( -3.408 -4.512 0.000) 5.655 12.092 ( 3.408 -4.512 0.000) 5.655 12.240 ( -10.264 0.021 0.000) 10.265 12.240 ( 10.264 0.021 0.000) 10.265 12.561 ( -0.949 9.136 0.000) 9.185 12.561 ( 0.949 9.136 0.000) 9.185 13.714 ( -5.411 -29.372 0.000) 29.866 13.714 ( 5.411 -29.372 0.000) 29.866 15.252 ( -14.133 28.788 0.000) 32.071 15.252 ( 14.133 28.788 0.000) 32.071 15.904 ( -8.693 1.740 0.000) 8.865 15.904 ( 8.693 1.740 0.000) 8.865 23.445 ( -2.047 1.377 0.000) 2.467 23.445 ( 2.047 1.377 0.000) 2.467 23.822 ( -4.173 -2.678 0.000) 4.958 23.822 ( 4.173 -2.678 0.000) 4.958 24.538 ( -9.070 0.866 0.000) 9.111 24.538 ( 9.070 0.866 0.000) 9.111 25.350 ( -9.115 -14.023 0.000) 16.725 25.350 ( 9.115 -14.023 0.000) 16.725 26.407 ( -4.820 0.637 0.000) 4.862 26.407 ( 4.820 0.637 0.000) 4.862 26.870 ( -2.200 -10.259 0.000) 10.493 26.870 ( 2.200 -10.259 0.000) 10.493 27.573 ( -6.813 6.443 0.000) 9.377 27.573 ( 6.813 6.443 0.000) 9.377 27.768 ( -7.844 9.494 0.000) 12.315 27.768 ( 7.844 9.494 0.000) 12.315 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 32.484 0.000) 32.484 1.499 ( 0.000 33.816 0.000) 33.816 1.928 ( 0.000 36.763 0.000) 36.763 2.212 ( 0.000 17.281 0.000) 17.281 2.992 ( 0.000 5.857 0.000) 5.857 3.117 ( 0.000 -14.876 0.000) 14.876 3.248 ( 0.000 -8.799 0.000) 8.799 3.406 ( 0.000 -9.078 0.000) 9.078 3.513 ( 0.000 -17.330 0.000) 17.330 3.937 ( 0.000 6.837 0.000) 6.837 3.992 ( 0.000 -31.310 0.000) 31.310 4.004 ( 0.000 7.919 0.000) 7.919 4.453 ( 0.000 9.280 0.000) 9.280 4.771 ( 0.000 10.820 0.000) 10.820 5.062 ( 0.000 -1.423 0.000) 1.423 5.077 ( 0.000 -7.221 0.000) 7.221 5.079 ( 0.000 9.415 0.000) 9.415 5.322 ( 0.000 1.029 0.000) 1.029 5.574 ( 0.000 7.347 0.000) 7.347 6.193 ( 0.000 19.580 0.000) 19.580 6.251 ( 0.000 -18.712 0.000) 18.712 6.251 ( 0.000 14.379 0.000) 14.379 6.297 ( 0.000 -11.583 0.000) 11.583 6.525 ( 0.000 -20.222 0.000) 20.222 6.752 ( 0.000 -2.393 0.000) 2.393 6.822 ( 0.000 13.051 0.000) 13.051 7.489 ( 0.000 -17.647 0.000) 17.647 8.060 ( 0.000 -17.566 0.000) 17.566 8.123 ( 0.000 23.697 0.000) 23.697 8.385 ( 0.000 17.694 0.000) 17.694 8.737 ( 0.000 0.662 0.000) 0.662 8.938 ( 0.000 4.252 0.000) 4.252 9.225 ( 0.000 2.347 0.000) 2.347 9.767 ( 0.000 3.402 0.000) 3.402 9.982 ( 0.000 -10.971 0.000) 10.971 10.035 ( 0.000 -3.439 0.000) 3.439 10.734 ( 0.000 1.627 0.000) 1.627 10.812 ( 0.000 0.323 0.000) 0.323 11.144 ( 0.000 0.250 0.000) 0.250 11.305 ( 0.000 -2.604 0.000) 2.604 11.385 ( 0.000 3.620 0.000) 3.620 11.404 ( 0.000 -9.724 0.000) 9.724 11.493 ( 0.000 -16.177 0.000) 16.177 11.602 ( 0.000 2.830 0.000) 2.830 11.666 ( 0.000 1.557 0.000) 1.557 11.764 ( 0.000 3.778 0.000) 3.778 12.014 ( 0.000 -13.048 0.000) 13.048 12.239 ( 0.000 -6.170 0.000) 6.170 13.165 ( 0.000 5.540 0.000) 5.540 13.212 ( 0.000 -0.572 0.000) 0.572 13.224 ( 0.000 -0.268 0.000) 0.268 13.474 ( 0.000 -10.233 0.000) 10.233 15.288 ( 0.000 19.158 0.000) 19.158 15.702 ( 0.000 15.969 0.000) 15.969 16.065 ( 0.000 -5.716 0.000) 5.716 16.630 ( 0.000 -10.053 0.000) 10.053 23.366 ( 0.000 1.575 0.000) 1.575 23.494 ( 0.000 -1.835 0.000) 1.835 23.579 ( 0.000 -0.045 0.000) 0.045 23.581 ( 0.000 -0.151 0.000) 0.151 24.058 ( 0.000 1.593 0.000) 1.593 24.204 ( 0.000 -2.256 0.000) 2.256 24.942 ( 0.000 5.597 0.000) 5.597 25.433 ( 0.000 -6.234 0.000) 6.234 26.319 ( 0.000 3.586 0.000) 3.586 26.569 ( 0.000 -1.067 0.000) 1.067 26.677 ( 0.000 -6.713 0.000) 6.713 26.737 ( 0.000 -9.064 0.000) 9.064 27.475 ( 0.000 5.286 0.000) 5.286 27.619 ( 0.000 3.480 0.000) 3.480 28.028 ( 0.000 7.575 0.000) 7.575 28.438 ( 0.000 -4.099 0.000) 4.099 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -1.647 29.517 0.000) 29.563 1.438 ( 7.926 29.560 0.000) 30.604 2.139 ( -3.168 16.016 0.000) 16.326 2.396 ( 33.110 30.585 0.000) 45.075 2.848 ( -14.708 5.337 0.000) 15.646 3.094 ( -2.247 -16.130 0.000) 16.286 3.219 ( -3.969 -5.275 0.000) 6.601 3.371 ( -2.475 -12.042 0.000) 12.294 3.449 ( -4.751 -22.876 0.000) 23.364 3.993 ( 6.608 9.174 0.000) 11.306 4.069 ( 7.111 -24.977 0.000) 25.970 4.108 ( 8.133 3.911 0.000) 9.024 4.392 ( -3.090 14.436 0.000) 14.763 4.723 ( -5.783 1.905 0.000) 6.088 4.975 ( -9.291 -2.993 0.000) 9.761 5.210 ( 8.514 11.736 0.000) 14.499 5.279 ( 3.505 9.330 0.000) 9.967 5.285 ( 13.810 -10.144 0.000) 17.135 5.661 ( 8.520 1.282 0.000) 8.615 6.094 ( -12.787 14.383 0.000) 19.245 6.108 ( 1.234 8.409 0.000) 8.499 6.263 ( -5.226 -6.801 0.000) 8.576 6.493 ( 13.084 0.056 0.000) 13.085 6.531 ( 0.345 -19.940 0.000) 19.942 6.590 ( -11.467 -1.093 0.000) 11.519 6.888 ( 2.354 8.094 0.000) 8.429 7.541 ( 2.204 -13.134 0.000) 13.318 7.898 ( -13.935 -1.428 0.000) 14.008 8.033 ( -2.929 16.447 0.000) 16.706 8.499 ( 8.662 4.743 0.000) 9.876 8.908 ( 15.775 -3.888 0.000) 16.247 9.037 ( 8.144 -0.413 0.000) 8.154 9.255 ( 3.428 -0.430 0.000) 3.455 9.730 ( -3.808 2.202 0.000) 4.399 9.909 ( -8.204 -14.122 0.000) 16.332 9.964 ( -7.424 -3.549 0.000) 8.228 10.717 ( -1.319 0.217 0.000) 1.337 10.871 ( 5.344 0.116 0.000) 5.345 11.038 ( -10.287 1.259 0.000) 10.363 11.240 ( -5.276 -2.565 0.000) 5.866 11.367 ( -1.027 -7.782 0.000) 7.849 11.395 ( 0.772 3.130 0.000) 3.224 11.589 ( 7.489 -13.021 0.000) 15.021 11.690 ( 2.332 1.315 0.000) 2.678 11.732 ( 12.296 3.300 0.000) 12.732 11.764 ( 0.002 3.937 0.000) 3.937 12.063 ( 4.618 -11.530 0.000) 12.421 12.272 ( 3.364 -5.970 0.000) 6.852 13.045 ( -12.988 5.130 0.000) 13.964 13.077 ( -8.923 6.737 0.000) 11.180 13.236 ( -1.642 -5.466 0.000) 5.708 13.446 ( -3.298 -11.666 0.000) 12.123 15.341 ( 5.635 18.668 0.000) 19.500 15.753 ( 4.893 13.101 0.000) 13.985 16.053 ( -1.327 -4.780 0.000) 4.961 16.411 ( -19.874 -0.035 0.000) 19.874 23.391 ( 2.690 2.146 0.000) 3.441 23.542 ( -1.683 1.095 0.000) 2.008 23.632 ( 3.127 -1.385 0.000) 3.420 23.683 ( 11.651 -9.136 0.000) 14.806 24.181 ( 14.980 -1.608 0.000) 15.066 24.259 ( 7.271 -2.664 0.000) 7.744 24.895 ( -5.083 5.292 0.000) 7.337 25.397 ( -4.028 -7.261 0.000) 8.303 26.332 ( 1.441 3.437 0.000) 3.726 26.552 ( -1.920 -0.583 0.000) 2.007 26.678 ( 0.120 -6.622 0.000) 6.623 26.726 ( -1.059 -8.635 0.000) 8.700 27.503 ( 2.985 5.340 0.000) 6.118 27.656 ( 3.989 3.398 0.000) 5.240 27.982 ( -4.853 7.390 0.000) 8.841 28.330 ( -10.420 -0.429 0.000) 10.429 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 19.558 14.884 0.000) 24.578 1.621 ( 11.107 23.749 0.000) 26.218 2.023 ( -8.067 16.517 0.000) 18.382 2.489 ( -23.469 4.498 0.000) 23.896 2.979 ( 11.401 -8.892 0.000) 14.459 3.107 ( -6.714 -8.200 0.000) 10.598 3.131 ( 23.422 11.127 0.000) 25.931 3.349 ( 0.084 -16.271 0.000) 16.271 3.390 ( -1.898 -24.874 0.000) 24.946 4.117 ( 0.668 7.950 0.000) 7.978 4.200 ( 0.266 0.872 0.000) 0.912 4.201 ( 6.070 -14.193 0.000) 15.436 4.372 ( 0.233 15.900 0.000) 15.901 4.481 ( -14.364 2.747 0.000) 14.624 4.923 ( 6.398 -4.210 0.000) 7.659 5.379 ( 12.258 6.218 0.000) 13.745 5.391 ( -5.146 -5.131 0.000) 7.267 5.465 ( 11.533 20.103 0.000) 23.176 5.708 ( -3.791 5.888 0.000) 7.003 5.941 ( -7.527 5.746 0.000) 9.470 6.120 ( -4.924 0.244 0.000) 4.930 6.193 ( 4.727 6.784 0.000) 8.268 6.458 ( -1.411 -4.604 0.000) 4.816 6.500 ( -3.123 -10.797 0.000) 11.240 6.692 ( 8.874 6.751 0.000) 11.150 6.889 ( -1.866 6.914 0.000) 7.161 7.453 ( -7.863 1.754 0.000) 8.057 7.622 ( -14.864 7.918 0.000) 16.841 8.217 ( 19.378 -4.731 0.000) 19.947 8.619 ( 2.798 -3.560 0.000) 4.528 9.177 ( 7.115 -10.912 0.000) 13.026 9.213 ( 15.476 -7.515 0.000) 17.204 9.356 ( 7.463 -3.709 0.000) 8.334 9.636 ( -6.235 -0.801 0.000) 6.287 9.683 ( -15.300 -18.853 0.000) 24.280 9.780 ( -12.021 -3.741 0.000) 12.590 10.699 ( -0.342 -0.544 0.000) 0.642 10.838 ( -9.528 2.791 0.000) 9.929 10.973 ( 5.191 -2.100 0.000) 5.600 11.145 ( -4.928 -3.284 0.000) 5.922 11.383 ( 1.981 -1.877 0.000) 2.729 11.408 ( 0.571 2.113 0.000) 2.189 11.725 ( 1.429 0.146 0.000) 1.436 11.735 ( 5.351 -11.203 0.000) 12.415 11.778 ( 4.937 6.797 0.000) 8.401 12.006 ( 15.823 3.924 0.000) 16.302 12.119 ( -0.874 -6.360 0.000) 6.420 12.339 ( 2.452 -4.454 0.000) 5.084 12.820 ( -9.202 7.524 0.000) 11.887 12.876 ( -11.306 8.740 0.000) 14.290 13.202 ( -0.922 -11.273 0.000) 11.311 13.353 ( -6.444 -14.440 0.000) 15.813 15.489 ( 10.326 17.364 0.000) 20.202 15.855 ( 5.561 7.374 0.000) 9.236 16.015 ( -2.775 -2.061 0.000) 3.457 16.033 ( -19.346 10.857 0.000) 22.184 23.447 ( 2.885 2.859 0.000) 4.062 23.516 ( -1.283 2.102 0.000) 2.463 23.692 ( 3.250 -2.718 0.000) 4.237 23.773 ( 0.231 -6.479 0.000) 6.483 24.377 ( 9.592 0.042 0.000) 9.592 24.640 ( 25.265 -13.884 0.000) 28.829 24.761 ( -9.196 4.257 0.000) 10.133 25.276 ( -9.436 -10.203 0.000) 13.898 26.372 ( 2.804 2.890 0.000) 4.026 26.501 ( -3.466 0.545 0.000) 3.509 26.682 ( 0.304 -6.536 0.000) 6.543 26.705 ( -1.061 -7.661 0.000) 7.734 27.583 ( 5.676 5.739 0.000) 8.072 27.761 ( 7.308 3.412 0.000) 8.065 27.860 ( -8.020 7.084 0.000) 10.701 28.116 ( -11.659 3.340 0.000) 12.128 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -7.266 17.962 0.000) 19.376 1.813 ( 7.266 17.962 0.000) 19.376 2.029 ( -23.344 7.200 0.000) 24.429 2.029 ( 23.344 7.200 0.000) 24.429 3.018 ( -2.482 -15.915 0.000) 16.107 3.018 ( 2.482 -15.915 0.000) 16.107 3.363 ( -1.232 -20.777 0.000) 20.813 3.363 ( 1.232 -20.777 0.000) 20.813 3.734 ( -31.856 9.127 0.000) 33.138 3.734 ( 31.856 9.127 0.000) 33.138 4.254 ( -1.060 -0.367 0.000) 1.122 4.254 ( 1.060 -0.367 0.000) 1.122 4.385 ( -1.248 9.609 0.000) 9.690 4.385 ( 1.248 9.609 0.000) 9.690 5.148 ( -16.006 -3.697 0.000) 16.427 5.148 ( 16.006 -3.697 0.000) 16.427 5.631 ( -8.226 11.281 0.000) 13.961 5.631 ( 8.226 11.281 0.000) 13.961 5.669 ( -15.777 6.552 0.000) 17.084 5.669 ( 15.777 6.552 0.000) 17.084 6.171 ( -5.940 3.986 0.000) 7.154 6.171 ( 5.940 3.986 0.000) 7.154 6.469 ( -0.537 -4.366 0.000) 4.398 6.469 ( 0.537 -4.366 0.000) 4.398 6.826 ( -5.252 9.618 0.000) 10.959 6.826 ( 5.252 9.618 0.000) 10.959 7.415 ( -5.470 4.600 0.000) 7.148 7.415 ( 5.470 4.600 0.000) 7.148 8.544 ( -12.170 -6.505 0.000) 13.799 8.544 ( 12.170 -6.505 0.000) 13.799 9.326 ( -8.017 -18.321 0.000) 19.998 9.326 ( 8.017 -18.321 0.000) 19.998 9.519 ( -4.497 -6.671 0.000) 8.045 9.519 ( 4.497 -6.671 0.000) 8.045 9.543 ( -12.670 -3.405 0.000) 13.120 9.543 ( 12.670 -3.405 0.000) 13.120 10.721 ( -3.320 1.168 0.000) 3.519 10.721 ( 3.320 1.168 0.000) 3.519 11.060 ( -4.478 -3.558 0.000) 5.719 11.060 ( 4.478 -3.558 0.000) 5.719 11.410 ( -0.589 0.931 0.000) 1.102 11.410 ( 0.589 0.931 0.000) 1.102 11.745 ( -0.706 -0.990 0.000) 1.216 11.745 ( 0.706 -0.990 0.000) 1.216 11.977 ( -11.718 -0.717 0.000) 11.740 11.977 ( 11.718 -0.717 0.000) 11.740 12.278 ( -10.449 0.493 0.000) 10.461 12.278 ( 10.449 0.493 0.000) 10.461 12.746 ( -1.274 7.953 0.000) 8.054 12.746 ( 1.274 7.953 0.000) 8.054 13.238 ( -4.966 -15.491 0.000) 16.267 13.238 ( 4.966 -15.491 0.000) 16.267 15.718 ( -14.628 15.130 0.000) 21.045 15.718 ( 14.628 15.130 0.000) 21.045 15.950 ( -4.329 2.267 0.000) 4.887 15.950 ( 4.329 2.267 0.000) 4.887 23.489 ( -1.752 2.789 0.000) 3.294 23.489 ( 1.752 2.789 0.000) 3.294 23.746 ( -2.512 -4.205 0.000) 4.898 23.746 ( 2.512 -4.205 0.000) 4.898 24.571 ( -11.033 2.359 0.000) 11.283 24.571 ( 11.033 2.359 0.000) 11.283 25.035 ( -17.196 -13.915 0.000) 22.120 25.035 ( 17.196 -13.915 0.000) 22.120 26.433 ( -3.721 1.846 0.000) 4.154 26.433 ( 3.721 1.846 0.000) 4.154 26.690 ( -0.627 -6.829 0.000) 6.857 26.690 ( 0.627 -6.829 0.000) 6.857 27.709 ( -7.851 6.516 0.000) 10.202 27.709 ( 7.851 6.516 0.000) 10.202 27.919 ( -9.730 3.744 0.000) 10.425 27.919 ( 9.730 3.744 0.000) 10.425 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 32.429 0.000) 32.429 2.150 ( 0.000 26.009 0.000) 26.009 2.471 ( 0.000 5.451 0.000) 5.451 2.663 ( 0.000 25.902 0.000) 25.902 2.725 ( 0.000 -30.810 0.000) 30.810 2.879 ( 0.000 1.129 0.000) 1.129 3.149 ( 0.000 8.574 0.000) 8.574 3.154 ( 0.000 -14.703 0.000) 14.703 3.298 ( 0.000 -32.653 0.000) 32.653 3.331 ( 0.000 -7.806 0.000) 7.806 4.075 ( 0.000 5.523 0.000) 5.523 4.129 ( 0.000 1.676 0.000) 1.676 4.677 ( 0.000 10.879 0.000) 10.879 4.897 ( 0.000 -9.646 0.000) 9.646 4.945 ( 0.000 5.686 0.000) 5.686 5.024 ( 0.000 -2.342 0.000) 2.342 5.404 ( 0.000 15.902 0.000) 15.902 5.500 ( 0.000 20.997 0.000) 20.997 5.771 ( 0.000 11.181 0.000) 11.181 5.807 ( 0.000 -21.705 0.000) 21.705 6.032 ( 0.000 -25.627 0.000) 25.627 6.033 ( 0.000 -12.959 0.000) 12.959 6.500 ( 0.000 9.351 0.000) 9.351 6.640 ( 0.000 21.530 0.000) 21.530 6.661 ( 0.000 -6.006 0.000) 6.006 7.085 ( 0.000 -20.245 0.000) 20.245 7.184 ( 0.000 20.288 0.000) 20.288 7.638 ( 0.000 -21.555 0.000) 21.555 8.596 ( 0.000 19.422 0.000) 19.422 8.675 ( 0.000 7.952 0.000) 7.952 8.746 ( 0.000 -0.348 0.000) 0.348 8.896 ( 0.000 -8.280 0.000) 8.280 9.371 ( 0.000 12.280 0.000) 12.280 9.692 ( 0.000 -15.823 0.000) 15.823 9.870 ( 0.000 5.179 0.000) 5.179 9.961 ( 0.000 -3.593 0.000) 3.593 10.776 ( 0.000 2.276 0.000) 2.276 10.814 ( 0.000 -0.695 0.000) 0.695 11.168 ( 0.000 2.072 0.000) 2.072 11.221 ( 0.000 -5.977 0.000) 5.977 11.223 ( 0.000 -7.276 0.000) 7.276 11.229 ( 0.000 -3.534 0.000) 3.534 11.523 ( 0.000 8.603 0.000) 8.603 11.654 ( 0.000 1.932 0.000) 1.932 11.679 ( 0.000 -0.305 0.000) 0.305 11.742 ( 0.000 -11.929 0.000) 11.929 11.881 ( 0.000 7.140 0.000) 7.140 12.060 ( 0.000 -9.373 0.000) 9.373 13.210 ( 0.000 0.220 0.000) 0.220 13.217 ( 0.000 -0.385 0.000) 0.385 13.265 ( 0.000 3.825 0.000) 3.825 13.339 ( 0.000 -3.861 0.000) 3.861 15.645 ( 0.000 14.459 0.000) 14.459 15.901 ( 0.000 -9.809 0.000) 9.809 16.050 ( 0.000 16.273 0.000) 16.273 16.373 ( 0.000 -13.927 0.000) 13.927 23.405 ( 0.000 2.058 0.000) 2.058 23.451 ( 0.000 -2.174 0.000) 2.174 23.578 ( 0.000 -0.043 0.000) 0.043 23.578 ( 0.000 -0.042 0.000) 0.042 24.099 ( 0.000 2.264 0.000) 2.264 24.151 ( 0.000 -2.561 0.000) 2.561 25.090 ( 0.000 8.124 0.000) 8.124 25.272 ( 0.000 -8.569 0.000) 8.569 26.412 ( 0.000 5.168 0.000) 5.168 26.536 ( 0.000 -6.389 0.000) 6.389 26.560 ( 0.000 0.427 0.000) 0.427 26.602 ( 0.000 -3.874 0.000) 3.874 27.580 ( 0.000 4.221 0.000) 4.221 27.640 ( 0.000 -1.197 0.000) 1.197 28.189 ( 0.000 7.345 0.000) 7.345 28.331 ( 0.000 -5.967 0.000) 5.967 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -9.299 28.011 0.000) 29.514 2.083 ( 3.353 30.859 0.000) 31.041 2.417 ( -5.969 -1.357 0.000) 6.121 2.707 ( -2.178 1.606 0.000) 2.707 2.723 ( -1.240 -27.949 0.000) 27.976 3.025 ( -11.736 6.350 0.000) 13.344 3.031 ( -5.000 -17.620 0.000) 18.316 3.074 ( 21.536 20.720 0.000) 29.885 3.196 ( -13.286 -8.166 0.000) 15.595 3.555 ( 18.287 -22.893 0.000) 29.300 4.147 ( 6.500 4.647 0.000) 7.990 4.189 ( 5.431 1.544 0.000) 5.646 4.707 ( 3.207 14.782 0.000) 15.126 4.776 ( -11.609 4.425 0.000) 12.424 4.886 ( -10.899 -5.097 0.000) 12.032 5.013 ( 10.116 -14.032 0.000) 17.299 5.505 ( 3.235 17.486 0.000) 17.783 5.631 ( 15.074 20.065 0.000) 25.096 5.804 ( 3.253 10.010 0.000) 10.525 5.939 ( 9.316 -18.702 0.000) 20.893 6.036 ( -0.045 -10.978 0.000) 10.978 6.089 ( 6.307 -20.749 0.000) 21.687 6.366 ( -12.247 8.709 0.000) 15.028 6.515 ( -13.526 -5.500 0.000) 14.601 6.745 ( 11.206 19.085 0.000) 22.131 7.168 ( 8.729 -19.781 0.000) 21.621 7.205 ( 1.339 19.767 0.000) 19.813 7.637 ( -0.554 -19.089 0.000) 19.097 8.479 ( -10.106 21.969 0.000) 24.182 8.721 ( 3.247 10.652 0.000) 11.136 8.852 ( 10.239 -2.815 0.000) 10.619 8.877 ( -2.756 -14.154 0.000) 14.420 9.314 ( -4.628 7.601 0.000) 8.899 9.583 ( -11.279 -15.800 0.000) 19.413 9.805 ( -6.513 4.012 0.000) 7.650 9.886 ( -7.630 -3.690 0.000) 8.475 10.754 ( -1.194 3.521 0.000) 3.718 10.840 ( 2.118 -3.324 0.000) 3.942 11.085 ( -7.768 3.107 0.000) 8.367 11.163 ( -5.879 -4.035 0.000) 7.131 11.267 ( 6.458 -0.871 0.000) 6.517 11.346 ( 9.455 -8.326 0.000) 12.598 11.510 ( -0.863 7.053 0.000) 7.105 11.657 ( -1.032 -5.207 0.000) 5.308 11.793 ( 12.787 2.551 0.000) 13.039 11.866 ( 10.546 -5.762 0.000) 12.017 11.896 ( 1.869 8.019 0.000) 8.234 12.091 ( 3.402 -9.840 0.000) 10.411 13.121 ( -8.529 2.429 0.000) 8.868 13.165 ( -5.603 -2.161 0.000) 6.005 13.198 ( -6.960 4.638 0.000) 8.364 13.288 ( -5.452 -4.649 0.000) 7.165 15.680 ( 3.740 13.369 0.000) 13.882 15.912 ( 1.107 -8.650 0.000) 8.721 16.040 ( -1.086 13.339 0.000) 13.383 16.291 ( -8.137 -9.727 0.000) 12.682 23.450 ( 4.231 3.401 0.000) 5.428 23.538 ( 7.244 -5.113 0.000) 8.866 23.569 ( -0.198 1.416 0.000) 1.430 23.600 ( 1.494 -1.530 0.000) 2.138 24.180 ( 9.295 0.982 0.000) 9.347 24.212 ( 6.864 -1.900 0.000) 7.122 25.037 ( -5.760 7.944 0.000) 9.813 25.220 ( -5.675 -8.961 0.000) 10.607 26.422 ( 1.018 4.965 0.000) 5.068 26.540 ( 0.515 -6.166 0.000) 6.188 26.551 ( -0.962 0.769 0.000) 1.232 26.596 ( -0.510 -3.815 0.000) 3.849 27.610 ( 3.280 4.393 0.000) 5.482 27.675 ( 3.715 -1.387 0.000) 3.965 28.138 ( -5.379 6.965 0.000) 8.801 28.266 ( -6.669 -4.905 0.000) 8.278 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 5.946 21.634 0.000) 22.436 2.157 ( 4.260 25.869 0.000) 26.218 2.309 ( -4.760 -0.316 0.000) 4.770 2.560 ( -17.848 -2.920 0.000) 18.085 2.656 ( -1.509 -3.023 0.000) 3.379 2.876 ( -2.563 -13.985 0.000) 14.218 2.917 ( -13.957 -11.870 0.000) 18.322 2.955 ( -3.283 -19.654 0.000) 19.926 3.525 ( 24.573 18.195 0.000) 30.576 3.878 ( 15.960 -15.501 0.000) 22.248 4.211 ( -6.852 1.780 0.000) 7.080 4.232 ( -0.583 0.434 0.000) 0.727 4.637 ( 0.203 10.074 0.000) 10.076 4.762 ( 1.491 19.003 0.000) 19.061 4.817 ( 5.290 -6.389 0.000) 8.295 5.144 ( 0.872 -16.193 0.000) 16.216 5.590 ( 6.336 14.205 0.000) 15.554 5.812 ( 4.571 6.696 0.000) 8.108 5.862 ( 1.752 7.313 0.000) 7.520 5.970 ( -8.946 -2.436 0.000) 9.271 6.118 ( 8.106 -12.057 0.000) 14.529 6.166 ( -7.237 4.427 0.000) 8.484 6.197 ( 4.609 -6.639 0.000) 8.082 6.306 ( -4.692 -8.036 0.000) 9.306 7.013 ( 15.886 17.278 0.000) 23.471 7.219 ( 0.417 20.245 0.000) 20.249 7.350 ( 8.301 -12.486 0.000) 14.993 7.596 ( -4.486 -11.873 0.000) 12.693 8.355 ( 0.352 17.614 0.000) 17.618 8.700 ( -6.877 12.129 0.000) 13.943 8.810 ( -2.902 -21.906 0.000) 22.097 9.017 ( 1.434 -13.636 0.000) 13.711 9.299 ( 4.614 -0.851 0.000) 4.692 9.364 ( -5.890 -8.555 0.000) 10.387 9.651 ( -9.879 1.787 0.000) 10.039 9.704 ( -11.596 -3.188 0.000) 12.026 10.754 ( 1.352 5.336 0.000) 5.504 10.884 ( 2.859 -5.926 0.000) 6.579 10.930 ( -8.144 5.373 0.000) 9.756 11.049 ( -6.095 -5.474 0.000) 8.193 11.396 ( 6.073 3.063 0.000) 6.801 11.495 ( -0.808 5.928 0.000) 5.983 11.516 ( 7.756 -8.297 0.000) 11.357 11.640 ( -0.980 -6.883 0.000) 6.952 11.965 ( 5.971 9.950 0.000) 11.604 12.051 ( 11.236 0.578 0.000) 11.251 12.057 ( 10.354 -0.178 0.000) 10.356 12.179 ( 5.470 -9.683 0.000) 11.121 12.949 ( -8.171 4.881 0.000) 9.517 13.032 ( -10.001 6.039 0.000) 11.683 13.046 ( -5.884 -4.922 0.000) 7.671 13.152 ( -8.673 -6.147 0.000) 10.630 15.778 ( 6.832 10.284 0.000) 12.346 15.940 ( 1.879 -5.301 0.000) 5.624 16.012 ( -1.929 6.856 0.000) 7.122 16.113 ( -10.343 -1.740 0.000) 10.488 23.525 ( 3.219 4.508 0.000) 5.539 23.568 ( -0.019 2.772 0.000) 2.772 23.630 ( 1.590 -2.995 0.000) 3.391 23.637 ( 2.777 -5.998 0.000) 6.610 24.390 ( 12.853 1.451 0.000) 12.935 24.453 ( 18.196 -5.019 0.000) 18.875 24.882 ( -10.957 7.113 0.000) 13.063 25.061 ( -11.726 -9.632 0.000) 15.174 26.448 ( 1.824 4.322 0.000) 4.691 26.525 ( -1.883 1.824 0.000) 2.622 26.553 ( 0.836 -5.547 0.000) 5.610 26.585 ( -0.747 -4.019 0.000) 4.088 27.700 ( 6.427 4.907 0.000) 8.086 27.775 ( 7.100 -1.816 0.000) 7.328 28.004 ( -8.614 6.254 0.000) 10.645 28.109 ( -9.734 -3.204 0.000) 10.248 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -12.984 13.747 0.000) 18.909 2.172 ( 12.984 13.747 0.000) 18.909 2.256 ( -2.084 11.202 0.000) 11.394 2.256 ( 2.084 11.202 0.000) 11.394 2.698 ( -6.990 -9.117 0.000) 11.488 2.698 ( 6.990 -9.117 0.000) 11.488 2.903 ( -2.369 -21.047 0.000) 21.180 2.903 ( 2.369 -21.047 0.000) 21.180 3.938 ( -19.846 9.444 0.000) 21.978 3.938 ( 19.846 9.444 0.000) 21.978 4.123 ( -10.348 -7.961 0.000) 13.056 4.123 ( 10.348 -7.961 0.000) 13.056 4.727 ( -5.315 16.843 0.000) 17.662 4.727 ( 5.315 16.843 0.000) 17.662 5.015 ( -12.548 -9.609 0.000) 15.805 5.015 ( 12.548 -9.609 0.000) 15.805 5.750 ( -11.107 6.184 0.000) 12.713 5.750 ( 11.107 6.184 0.000) 12.713 5.863 ( -1.957 1.253 0.000) 2.323 5.863 ( 1.957 1.253 0.000) 2.323 6.142 ( -2.391 0.166 0.000) 2.397 6.142 ( 2.391 0.166 0.000) 2.397 6.280 ( -2.275 -8.411 0.000) 8.714 6.280 ( 2.275 -8.411 0.000) 8.714 7.212 ( -3.330 18.964 0.000) 19.254 7.212 ( 3.330 18.964 0.000) 19.254 7.471 ( -7.701 -3.297 0.000) 8.378 7.471 ( 7.701 -3.297 0.000) 8.378 8.509 ( -12.446 6.771 0.000) 14.169 8.509 ( 12.446 6.771 0.000) 14.169 8.853 ( -9.359 -22.685 0.000) 24.539 8.853 ( 9.359 -22.685 0.000) 24.539 9.456 ( -10.857 -0.408 0.000) 10.865 9.456 ( 10.857 -0.408 0.000) 10.865 9.480 ( -11.953 -2.337 0.000) 12.179 9.480 ( 11.953 -2.337 0.000) 12.179 10.809 ( -4.776 6.227 0.000) 7.847 10.809 ( 4.776 6.227 0.000) 7.847 10.951 ( -4.454 -6.436 0.000) 7.827 10.951 ( 4.454 -6.436 0.000) 7.827 11.470 ( -2.286 4.838 0.000) 5.351 11.470 ( 2.286 4.838 0.000) 5.351 11.610 ( -2.797 -7.945 0.000) 8.423 11.610 ( 2.797 -7.945 0.000) 8.423 12.084 ( -4.609 7.341 0.000) 8.668 12.084 ( 4.609 7.341 0.000) 8.668 12.225 ( -2.937 -5.199 0.000) 5.971 12.225 ( 2.937 -5.199 0.000) 5.971 12.892 ( -3.084 5.966 0.000) 6.716 12.892 ( 3.084 5.966 0.000) 6.716 13.018 ( -3.948 -6.782 0.000) 7.847 13.018 ( 3.948 -6.782 0.000) 7.847 15.925 ( -8.892 5.419 0.000) 10.413 15.925 ( 8.892 5.419 0.000) 10.413 15.979 ( -2.435 -0.088 0.000) 2.437 15.979 ( 2.435 -0.088 0.000) 2.437 23.562 ( -0.929 3.944 0.000) 4.052 23.562 ( 0.929 3.944 0.000) 4.052 23.652 ( -0.570 -4.495 0.000) 4.531 23.652 ( 0.570 -4.495 0.000) 4.531 24.646 ( -14.133 4.961 0.000) 14.978 24.646 ( 14.133 4.961 0.000) 14.978 24.792 ( -17.277 -9.013 0.000) 19.487 24.792 ( 17.277 -9.013 0.000) 19.487 26.486 ( -2.192 3.205 0.000) 3.883 26.486 ( 2.192 3.205 0.000) 3.883 26.569 ( -0.884 -4.712 0.000) 4.795 26.569 ( 0.884 -4.712 0.000) 4.795 27.841 ( -8.685 5.592 0.000) 10.329 27.841 ( 8.685 5.592 0.000) 10.329 27.929 ( -9.424 -2.307 0.000) 9.702 27.929 ( 9.424 -2.307 0.000) 9.702 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.000 0.000 29.149) 29.149 0.681 ( 0.000 0.000 33.139) 33.139 0.984 ( 0.000 0.000 48.419) 48.419 2.111 ( 0.000 0.000 26.441) 26.441 2.918 ( 0.000 0.000 3.649) 3.649 3.056 ( 0.000 0.000 3.284) 3.284 3.513 ( 0.000 0.000 -5.606) 5.606 3.632 ( 0.000 0.000 7.867) 7.867 3.678 ( 0.000 0.000 0.353) 0.353 3.853 ( 0.000 0.000 -0.525) 0.525 3.884 ( 0.000 0.000 5.137) 5.137 4.391 ( 0.000 0.000 -0.455) 0.455 4.579 ( 0.000 0.000 6.114) 6.114 4.871 ( 0.000 0.000 0.161) 0.161 5.001 ( 0.000 0.000 -1.618) 1.618 5.091 ( 0.000 0.000 -4.314) 4.314 5.193 ( 0.000 0.000 -2.843) 2.843 5.198 ( 0.000 0.000 5.902) 5.902 5.352 ( 0.000 0.000 8.935) 8.935 5.409 ( 0.000 0.000 -3.482) 3.482 5.829 ( 0.000 0.000 -5.844) 5.844 6.530 ( 0.000 0.000 -4.162) 4.162 6.558 ( 0.000 0.000 -6.979) 6.979 6.624 ( 0.000 0.000 -3.238) 3.238 6.688 ( 0.000 0.000 -2.453) 2.453 7.447 ( 0.000 0.000 -0.567) 0.567 7.470 ( 0.000 0.000 -20.205) 20.205 8.297 ( 0.000 0.000 16.358) 16.358 8.399 ( 0.000 0.000 -7.048) 7.048 8.475 ( 0.000 0.000 -8.128) 8.128 8.746 ( 0.000 0.000 -12.748) 12.748 8.752 ( 0.000 0.000 3.365) 3.365 9.104 ( 0.000 0.000 -9.321) 9.321 9.837 ( 0.000 0.000 6.002) 6.002 10.005 ( 0.000 0.000 -11.174) 11.174 10.150 ( 0.000 0.000 -5.350) 5.350 10.532 ( 0.000 0.000 -11.141) 11.141 10.918 ( 0.000 0.000 0.299) 0.299 10.946 ( 0.000 0.000 -7.994) 7.994 11.194 ( 0.000 0.000 2.602) 2.602 11.397 ( 0.000 0.000 10.349) 10.349 11.486 ( 0.000 0.000 0.546) 0.546 11.656 ( 0.000 0.000 4.883) 4.883 11.733 ( 0.000 0.000 16.800) 16.800 11.774 ( 0.000 0.000 0.652) 0.652 11.980 ( 0.000 0.000 -8.540) 8.540 12.370 ( 0.000 0.000 1.382) 1.382 12.760 ( 0.000 0.000 0.694) 0.694 12.789 ( 0.000 0.000 3.868) 3.868 12.930 ( 0.000 0.000 -5.487) 5.487 13.288 ( 0.000 0.000 3.425) 3.425 14.308 ( 0.000 0.000 9.086) 9.086 15.208 ( 0.000 0.000 4.815) 4.815 15.222 ( 0.000 0.000 -6.994) 6.994 15.246 ( 0.000 0.000 -3.335) 3.335 16.205 ( 0.000 0.000 2.480) 2.480 23.355 ( 0.000 0.000 2.337) 2.337 23.523 ( 0.000 0.000 -0.150) 0.150 23.657 ( 0.000 0.000 6.022) 6.022 23.849 ( 0.000 0.000 -7.876) 7.876 24.238 ( 0.000 0.000 10.190) 10.190 24.260 ( 0.000 0.000 0.358) 0.358 25.285 ( 0.000 0.000 -1.741) 1.741 25.533 ( 0.000 0.000 -2.517) 2.517 26.293 ( 0.000 0.000 4.816) 4.816 26.815 ( 0.000 0.000 -3.496) 3.496 26.978 ( 0.000 0.000 0.740) 0.740 27.248 ( 0.000 0.000 -0.470) 0.470 27.315 ( 0.000 0.000 4.664) 4.664 27.323 ( 0.000 0.000 -0.471) 0.471 27.793 ( 0.000 0.000 -2.837) 2.837 27.989 ( 0.000 0.000 -2.292) 2.292 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 22.312 0.000 19.481) 29.620 0.961 ( 25.513 0.000 22.629) 34.103 1.555 ( 48.167 0.000 29.110) 56.280 2.066 ( -5.641 0.000 25.342) 25.962 2.746 ( -14.589 0.000 4.561) 15.286 3.126 ( 4.359 0.000 2.124) 4.849 3.470 ( -4.597 0.000 -1.236) 4.760 3.652 ( 3.882 0.000 5.830) 7.004 3.764 ( 8.287 0.000 -1.770) 8.474 3.895 ( 6.677 0.000 2.494) 7.127 3.976 ( 7.749 0.000 2.020) 8.008 4.438 ( 6.428 0.000 0.186) 6.431 4.497 ( -8.142 0.000 6.609) 10.486 4.867 ( -14.207 0.000 -8.151) 16.379 4.920 ( 5.464 0.000 0.069) 5.465 5.090 ( -1.602 0.000 1.902) 2.487 5.240 ( 4.995 0.000 -2.678) 5.668 5.284 ( 0.996 0.000 7.778) 7.841 5.349 ( -6.122 0.000 -3.003) 6.819 5.686 ( 2.581 0.000 -6.226) 6.739 5.827 ( 23.114 0.000 -12.420) 26.240 6.385 ( -13.712 0.000 -0.005) 13.712 6.401 ( -17.713 0.000 -5.641) 18.590 6.538 ( -7.154 0.000 -3.710) 8.059 6.692 ( 0.046 0.000 -4.430) 4.430 7.303 ( -6.935 0.000 -14.118) 15.729 7.517 ( -5.804 0.000 -0.710) 5.847 7.833 ( -34.444 0.000 16.213) 38.069 8.244 ( 8.413 0.000 0.999) 8.472 8.648 ( 13.521 0.000 2.352) 13.724 8.688 ( 13.844 0.000 -7.925) 15.952 9.161 ( 7.735 0.000 -8.634) 11.592 9.269 ( 12.185 0.000 -15.642) 19.828 9.831 ( -0.672 0.000 5.751) 5.791 10.021 ( -3.490 0.000 -5.381) 6.414 10.373 ( 14.315 0.000 -17.922) 22.937 10.563 ( 3.356 0.000 -11.663) 12.136 10.857 ( -7.118 0.000 3.377) 7.879 10.930 ( -1.827 0.000 -8.729) 8.918 11.130 ( -5.065 0.000 -2.181) 5.514 11.357 ( -2.238 0.000 6.133) 6.528 11.508 ( 2.383 0.000 3.574) 4.296 11.692 ( 2.172 0.000 4.786) 5.256 11.739 ( -3.031 0.000 1.600) 3.427 11.775 ( 4.088 0.000 11.194) 11.917 12.022 ( 4.651 0.000 -3.308) 5.708 12.385 ( 0.823 0.000 2.504) 2.636 12.506 ( -10.041 0.000 11.836) 15.522 12.621 ( -13.682 0.000 -3.329) 14.081 12.928 ( -3.757 0.000 5.243) 6.450 13.681 ( 23.547 0.000 -13.201) 26.995 14.367 ( 6.114 0.000 6.561) 8.968 14.895 ( -23.164 0.000 8.980) 24.843 15.030 ( -9.740 0.000 0.885) 9.780 15.455 ( 12.831 0.000 0.748) 12.853 16.170 ( -3.830 0.000 2.351) 4.494 23.365 ( 1.060 0.000 1.623) 1.938 23.542 ( -4.322 0.000 1.414) 4.547 23.644 ( 6.462 0.000 -0.416) 6.476 23.967 ( 1.406 0.000 -4.069) 4.305 24.295 ( 4.292 0.000 1.842) 4.670 24.487 ( 17.309 0.000 -8.724) 19.383 25.288 ( 1.094 0.000 -5.102) 5.218 25.525 ( -0.990 0.000 -3.093) 3.247 26.314 ( 2.300 0.000 4.954) 5.462 26.733 ( -7.341 0.000 2.434) 7.734 26.986 ( 0.838 0.000 0.716) 1.102 27.183 ( -4.440 0.000 -0.074) 4.441 27.336 ( 2.198 0.000 3.972) 4.540 27.402 ( 5.860 0.000 -0.945) 5.935 27.772 ( -2.263 0.000 -2.736) 3.551 27.782 ( -13.688 0.000 7.467) 15.593 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 23.011 0.000 18.180) 29.326 1.482 ( 29.183 0.000 13.279) 32.062 1.886 ( -12.120 0.000 23.331) 26.291 2.422 ( -20.507 0.000 6.025) 21.374 2.530 ( 53.829 0.000 10.522) 54.848 3.202 ( 4.090 0.000 1.516) 4.361 3.373 ( -5.342 0.000 0.893) 5.417 3.772 ( 7.720 0.000 2.051) 7.987 3.915 ( 7.351 0.000 -1.392) 7.481 4.046 ( 5.555 0.000 1.248) 5.694 4.066 ( 0.818 0.000 -1.447) 1.662 4.281 ( -22.791 0.000 2.427) 22.920 4.496 ( -13.868 0.000 -3.821) 14.385 4.671 ( 17.343 0.000 -1.175) 17.383 4.915 ( -15.816 0.000 6.577) 17.129 5.081 ( 11.181 0.000 -0.864) 11.214 5.198 ( -7.828 0.000 -3.536) 8.589 5.355 ( 9.781 0.000 8.002) 12.637 5.376 ( 8.276 0.000 0.561) 8.295 5.763 ( 3.313 0.000 -3.320) 4.690 6.026 ( -6.572 0.000 5.125) 8.334 6.041 ( -18.462 0.000 -6.223) 19.483 6.193 ( -2.672 0.000 -2.115) 3.408 6.280 ( -20.771 0.000 0.077) 20.771 6.776 ( 11.395 0.000 -12.110) 16.628 7.223 ( -0.828 0.000 -10.863) 10.894 7.372 ( -7.215 0.000 -2.752) 7.722 7.376 ( -19.045 0.000 5.310) 19.772 8.511 ( 16.122 0.000 -0.949) 16.150 8.805 ( 2.862 0.000 2.106) 3.553 8.982 ( 16.052 0.000 -17.586) 23.810 9.291 ( 2.833 0.000 -15.251) 15.512 9.473 ( 14.034 0.000 -3.371) 14.433 9.809 ( -1.926 0.000 4.064) 4.498 9.944 ( -2.953 0.000 1.950) 3.538 10.340 ( -16.463 0.000 2.161) 16.604 10.653 ( 6.151 0.000 -12.682) 14.095 10.811 ( 4.448 0.000 -6.541) 7.910 10.876 ( -4.225 0.000 -10.771) 11.570 11.036 ( -5.614 0.000 -6.266) 8.413 11.364 ( 2.937 0.000 1.259) 3.196 11.529 ( -1.824 0.000 2.978) 3.492 11.670 ( -0.872 0.000 4.836) 4.914 11.727 ( -0.481 0.000 8.667) 8.680 11.871 ( 6.418 0.000 0.013) 6.418 12.122 ( 2.521 0.000 1.741) 3.064 12.391 ( 1.204 0.000 5.321) 5.456 12.401 ( -5.517 0.000 0.346) 5.528 12.446 ( -0.354 0.000 3.586) 3.603 12.773 ( -12.217 0.000 12.781) 17.681 14.027 ( 15.290 0.000 -9.515) 18.009 14.514 ( 9.278 0.000 3.027) 9.759 14.541 ( -15.749 0.000 6.192) 16.922 14.859 ( -9.086 0.000 0.828) 9.123 15.689 ( 12.412 0.000 1.248) 12.475 16.066 ( -7.404 0.000 2.023) 7.675 23.391 ( 1.695 0.000 0.362) 1.733 23.473 ( -3.026 0.000 0.254) 3.037 23.764 ( 6.083 0.000 0.381) 6.095 23.939 ( -3.201 0.000 0.010) 3.201 24.401 ( 7.044 0.000 1.809) 7.273 24.629 ( -0.833 0.000 -3.053) 3.165 25.345 ( 4.700 0.000 -9.358) 10.472 25.493 ( -2.503 0.000 -4.680) 5.307 26.376 ( 4.363 0.000 5.379) 6.926 26.594 ( -7.283 0.000 5.949) 9.403 27.009 ( 1.722 0.000 0.639) 1.836 27.107 ( -3.660 0.000 0.264) 3.670 27.394 ( 4.004 0.000 2.670) 4.813 27.513 ( 6.121 0.000 -1.496) 6.301 27.594 ( -7.507 0.000 4.549) 8.778 27.712 ( -4.188 0.000 -2.449) 4.852 ======================= Grid point 52 (20/96) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -17.690 0.000 20.934) 27.408 1.611 ( 17.690 0.000 20.934) 27.408 1.994 ( -25.942 0.000 8.575) 27.323 1.994 ( 25.942 0.000 8.575) 27.323 3.282 ( -4.623 0.000 1.357) 4.818 3.282 ( 4.623 0.000 1.357) 4.818 3.482 ( -47.220 0.000 -2.659) 47.295 3.482 ( 47.220 0.000 -2.659) 47.295 3.996 ( -6.901 0.000 3.413) 7.699 3.996 ( 6.901 0.000 3.413) 7.699 4.025 ( -4.525 0.000 -1.472) 4.758 4.025 ( 4.525 0.000 -1.472) 4.758 4.609 ( -15.962 0.000 6.223) 17.132 4.609 ( 15.962 0.000 6.223) 17.132 4.965 ( -13.489 0.000 -3.641) 13.971 4.965 ( 13.489 0.000 -3.641) 13.971 5.389 ( -12.533 0.000 -0.909) 12.566 5.389 ( 12.533 0.000 -0.909) 12.566 5.595 ( -15.055 0.000 4.871) 15.824 5.595 ( 15.055 0.000 4.871) 15.824 5.919 ( -11.408 0.000 -0.470) 11.417 5.919 ( 11.408 0.000 -0.470) 11.417 6.081 ( -8.632 0.000 1.881) 8.835 6.081 ( 8.632 0.000 1.881) 8.835 7.054 ( -16.774 0.000 -6.710) 18.067 7.054 ( 16.774 0.000 -6.710) 18.067 7.265 ( -4.535 0.000 -7.311) 8.603 7.265 ( 4.535 0.000 -7.311) 8.603 8.749 ( -8.657 0.000 0.763) 8.691 8.749 ( 8.657 0.000 0.763) 8.691 9.225 ( -9.336 0.000 -20.085) 22.148 9.225 ( 9.336 0.000 -20.085) 22.148 9.730 ( -8.990 0.000 -0.871) 9.032 9.730 ( 8.990 0.000 -0.871) 9.032 10.012 ( -13.367 0.000 9.486) 16.391 10.012 ( 13.367 0.000 9.486) 16.391 10.774 ( -6.549 0.000 -12.636) 14.232 10.774 ( 6.549 0.000 -12.636) 14.232 10.923 ( -6.544 0.000 -7.287) 9.794 10.923 ( 6.544 0.000 -7.287) 9.794 11.447 ( -5.476 0.000 0.333) 5.486 11.447 ( 5.476 0.000 0.333) 5.486 11.697 ( -2.401 0.000 9.126) 9.437 11.697 ( 2.401 0.000 9.126) 9.437 12.016 ( -9.188 0.000 -5.151) 10.534 12.016 ( 9.188 0.000 -5.151) 10.534 12.427 ( -1.927 0.000 3.108) 3.656 12.427 ( 1.927 0.000 3.108) 3.656 12.523 ( -13.446 0.000 13.679) 19.181 12.523 ( 13.446 0.000 13.679) 19.181 14.282 ( -13.254 0.000 -1.756) 13.370 14.282 ( 13.254 0.000 -1.756) 13.370 14.689 ( -9.494 0.000 1.356) 9.590 14.689 ( 9.494 0.000 1.356) 9.590 15.901 ( -10.410 0.000 1.628) 10.537 15.901 ( 10.410 0.000 1.628) 10.537 23.426 ( -2.151 0.000 -0.225) 2.162 23.426 ( 2.151 0.000 -0.225) 2.162 23.864 ( -4.803 0.000 0.831) 4.874 23.864 ( 4.803 0.000 0.831) 4.874 24.539 ( -7.279 0.000 1.128) 7.366 24.539 ( 7.279 0.000 1.128) 7.366 25.432 ( -4.200 0.000 -7.335) 8.452 25.432 ( 4.200 0.000 -7.335) 8.452 26.472 ( -5.994 0.000 5.932) 8.433 26.472 ( 5.994 0.000 5.932) 8.433 27.049 ( -2.674 0.000 0.495) 2.720 27.049 ( 2.674 0.000 0.495) 2.720 27.480 ( -5.329 0.000 2.392) 5.841 27.480 ( 5.329 0.000 2.392) 5.841 27.621 ( -5.519 0.000 -2.017) 5.876 27.621 ( 5.519 0.000 -2.017) 5.876 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 20.659 21.523) 29.834 0.943 ( 0.000 27.527 16.756) 32.225 1.449 ( 0.000 33.814 33.284) 47.447 2.186 ( 0.000 7.080 23.690) 24.725 2.946 ( 0.000 2.693 4.002) 4.824 3.174 ( 0.000 9.049 2.907) 9.504 3.433 ( 0.000 -9.753 4.685) 10.820 3.501 ( 0.000 -2.174 -3.187) 3.858 3.836 ( 0.000 1.844 1.693) 2.503 3.895 ( 0.000 0.066 1.455) 1.456 4.079 ( 0.000 16.795 -7.136) 18.248 4.087 ( 0.000 -19.554 5.161) 20.224 4.618 ( 0.000 5.517 4.099) 6.873 4.690 ( 0.000 -24.235 2.540) 24.368 4.974 ( 0.000 2.610 0.216) 2.619 5.095 ( 0.000 -1.134 0.741) 1.355 5.143 ( 0.000 0.726 -4.004) 4.069 5.318 ( 0.000 5.710 -8.579) 10.305 5.362 ( 0.000 2.079 7.503) 7.786 5.737 ( 0.000 20.760 -3.274) 21.017 5.828 ( 0.000 4.085 -7.189) 8.268 6.455 ( 0.000 -7.928 -5.513) 9.657 6.527 ( 0.000 -6.517 -3.445) 7.371 6.578 ( 0.000 2.016 -3.584) 4.112 6.730 ( 0.000 1.911 -2.808) 3.397 7.411 ( 0.000 -15.016 -5.756) 16.081 7.658 ( 0.000 18.079 -0.465) 18.085 7.724 ( 0.000 -31.271 7.984) 32.274 8.292 ( 0.000 -9.636 -6.568) 11.662 8.297 ( 0.000 -4.640 14.619) 15.338 8.763 ( 0.000 0.852 3.605) 3.705 8.789 ( 0.000 13.565 4.176) 14.193 9.096 ( 0.000 -0.496 -9.440) 9.453 9.818 ( 0.000 -1.060 4.791) 4.907 10.004 ( 0.000 -0.838 -8.919) 8.958 10.078 ( 0.000 -5.879 -7.147) 9.254 10.564 ( 0.000 2.769 -9.737) 10.123 10.770 ( 0.000 -1.499 -0.513) 1.584 11.172 ( 0.000 -2.084 1.301) 2.456 11.182 ( 0.000 2.941 -17.827) 18.068 11.404 ( 0.000 1.288 8.743) 8.837 11.490 ( 0.000 -0.318 -1.290) 1.328 11.581 ( 0.000 -8.290 4.267) 9.323 11.679 ( 0.000 -0.487 5.194) 5.217 11.812 ( 0.000 0.934 8.790) 8.839 11.948 ( 0.000 -4.450 -1.738) 4.777 12.299 ( 0.000 -6.276 4.238) 7.573 12.382 ( 0.000 -12.805 9.619) 16.016 12.976 ( 0.000 3.629 -5.974) 6.990 13.066 ( 0.000 8.537 -8.529) 12.067 13.289 ( 0.000 0.505 4.569) 4.596 13.860 ( 0.000 -22.675 5.180) 23.260 15.036 ( 0.000 11.121 13.825) 17.743 15.340 ( 0.000 8.128 -5.687) 9.920 16.196 ( 0.000 -0.792 3.666) 3.751 16.235 ( 0.000 27.547 -31.695) 41.993 23.362 ( 0.000 0.615 2.167) 2.252 23.513 ( 0.000 -0.932 -0.188) 0.950 23.654 ( 0.000 -0.334 5.845) 5.854 23.722 ( 0.000 -7.514 0.831) 7.560 24.210 ( 0.000 -1.384 13.002) 13.075 24.249 ( 0.000 -0.951 0.730) 1.199 25.046 ( 0.000 -8.930 10.799) 14.013 25.502 ( 0.000 -2.971 -2.651) 3.982 26.303 ( 0.000 1.328 4.447) 4.641 26.715 ( 0.000 -8.257 8.328) 11.728 26.753 ( 0.000 -5.245 -3.191) 6.139 27.055 ( 0.000 -10.596 5.760) 12.060 27.364 ( 0.000 3.689 -0.797) 3.774 27.470 ( 0.000 7.217 -1.677) 7.409 27.859 ( 0.000 5.579 -2.402) 6.074 28.282 ( 0.000 8.882 -13.962) 16.548 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.17 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 15.701 16.285 16.941) 28.262 1.087 ( 16.540 17.032 19.637) 30.810 1.900 ( 37.862 26.053 20.706) 50.409 2.138 ( -4.184 7.605 23.225) 24.794 2.796 ( -14.145 4.009 4.663) 15.424 3.189 ( 0.694 4.597 1.679) 4.943 3.411 ( -2.937 -8.258 1.621) 8.914 3.549 ( 4.831 -5.343 1.661) 7.392 3.870 ( 4.362 -0.005 2.779) 5.172 3.973 ( 3.784 -6.746 -0.868) 7.783 4.014 ( -2.264 15.360 -1.709) 15.620 4.119 ( 5.080 -10.820 5.326) 13.086 4.619 ( -5.849 -19.293 -1.076) 20.188 4.663 ( 4.650 6.684 3.816) 8.992 4.995 ( -1.994 1.928 0.447) 2.809 5.059 ( -4.930 0.981 0.080) 5.027 5.185 ( 0.101 -3.189 -2.188) 3.869 5.311 ( 2.020 3.899 -4.602) 6.361 5.634 ( 9.696 1.819 -7.041) 12.120 5.696 ( 4.301 13.568 1.737) 14.339 5.831 ( 8.364 6.345 -6.361) 12.275 6.330 ( -12.524 -3.396 -3.485) 13.436 6.478 ( -8.047 1.902 -2.940) 8.776 6.547 ( -5.420 1.216 -3.253) 6.438 6.683 ( -1.904 -0.636 -3.521) 4.053 7.306 ( -7.064 -8.370 -4.883) 11.992 7.495 ( -13.796 -9.087 5.433) 17.390 7.706 ( -11.832 7.470 1.491) 14.072 8.061 ( 4.449 -11.720 -0.024) 12.536 8.563 ( 14.368 -4.704 -0.554) 15.128 8.888 ( 10.250 10.458 -1.584) 14.729 9.079 ( 19.627 -7.774 -0.917) 21.131 9.160 ( 6.411 -2.006 -9.800) 11.882 9.802 ( -1.544 -2.003 4.677) 5.317 9.966 ( -4.842 -4.227 -5.881) 8.712 10.160 ( 6.088 -11.500 -4.985) 13.934 10.593 ( 3.104 2.439 -10.172) 10.911 10.783 ( 1.354 -0.738 -2.007) 2.531 11.029 ( -12.275 0.600 -2.574) 12.556 11.172 ( -3.066 0.222 -11.176) 11.591 11.379 ( -1.609 1.795 3.927) 4.608 11.500 ( 1.089 -1.383 1.687) 2.438 11.612 ( 1.735 -7.802 1.300) 8.098 11.679 ( 0.241 -0.290 4.509) 4.525 11.838 ( 3.279 2.361 5.953) 7.195 11.990 ( 4.818 -3.560 4.834) 7.698 12.293 ( 0.295 -7.006 3.103) 7.668 12.396 ( 0.348 -6.690 6.466) 9.310 12.762 ( -15.303 9.690 -6.272) 19.168 13.001 ( -4.845 4.701 3.215) 7.477 13.478 ( 10.832 -10.659 1.234) 15.247 13.864 ( 0.047 -24.774 4.442) 25.169 14.977 ( -2.190 16.293 6.077) 17.527 15.485 ( 11.744 6.778 -1.555) 13.648 15.926 ( -24.359 30.808 -15.861) 42.356 16.171 ( -3.563 0.691 3.165) 4.816 23.373 ( 1.266 0.817 1.501) 2.126 23.545 ( -3.472 0.362 1.120) 3.666 23.631 ( 6.164 -1.225 -0.610) 6.314 23.881 ( 5.139 -7.254 -2.356) 9.197 24.286 ( 4.632 -0.732 2.308) 5.227 24.412 ( 19.360 -5.790 0.877) 20.227 25.033 ( -0.359 -11.398 10.070) 15.214 25.484 ( -2.011 -3.718 -2.980) 5.172 26.323 ( 2.164 1.155 4.636) 5.245 26.654 ( -4.575 -4.533 4.938) 8.115 26.796 ( 2.831 -8.146 0.811) 8.662 27.027 ( -2.757 -10.050 5.164) 11.631 27.392 ( 2.811 3.781 -0.433) 4.731 27.503 ( 3.351 6.773 -2.438) 7.941 27.826 ( -3.576 5.415 -1.573) 6.677 28.116 ( -13.889 13.412 -7.418) 20.684 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 19.687 13.786 16.016) 28.881 1.494 ( 27.280 2.747 13.626) 30.617 1.965 ( -10.959 7.614 20.879) 24.780 2.459 ( -20.431 3.142 5.376) 21.359 2.726 ( 44.498 16.151 8.685) 48.128 3.205 ( 1.579 -1.323 0.805) 2.211 3.334 ( -4.736 -6.972 0.924) 8.479 3.663 ( 6.937 -8.361 3.644) 11.459 3.912 ( -3.038 -12.814 4.768) 14.006 4.019 ( 3.222 -2.476 -0.850) 4.152 4.023 ( 1.838 8.943 -1.663) 9.280 4.193 ( -8.144 -2.736 -0.943) 8.643 4.409 ( -10.420 -3.559 -3.876) 11.673 4.652 ( -7.618 -12.112 4.917) 15.130 5.006 ( 7.555 17.066 -1.299) 18.709 5.032 ( 9.847 -3.622 1.705) 10.629 5.303 ( -1.242 5.024 -3.195) 6.082 5.357 ( 9.895 2.078 3.387) 10.663 5.557 ( -3.360 11.856 2.247) 12.526 5.824 ( -1.554 4.517 -1.945) 5.157 6.001 ( -0.015 4.561 -0.358) 4.575 6.147 ( -7.860 -1.765 0.658) 8.083 6.268 ( -7.500 14.131 -2.884) 16.255 6.378 ( -9.479 4.404 -3.610) 11.058 6.719 ( 6.431 -3.700 -7.663) 10.667 7.177 ( -10.364 -14.339 2.417) 17.856 7.274 ( -6.493 1.296 -9.091) 11.246 7.426 ( -12.545 5.962 -1.004) 13.926 8.348 ( 19.577 -11.957 -5.475) 23.584 8.737 ( 2.967 -5.470 -0.409) 6.237 9.093 ( 10.837 6.559 -10.153) 16.234 9.269 ( 3.751 -2.108 -12.851) 13.552 9.404 ( 16.794 -5.911 -0.804) 17.822 9.765 ( -2.625 -3.745 3.977) 6.061 9.862 ( -4.738 -6.860 -0.077) 8.338 10.140 ( -10.042 -15.115 2.980) 18.390 10.666 ( 4.052 0.133 -8.334) 9.268 10.790 ( -4.044 -0.596 -3.750) 5.547 10.867 ( 1.246 1.256 -6.630) 6.862 11.086 ( -5.891 0.785 -10.173) 11.781 11.372 ( 1.037 0.045 -0.997) 1.439 11.493 ( -2.765 -2.438 2.000) 4.194 11.625 ( 1.228 -2.820 1.069) 3.256 11.687 ( -0.222 -1.923 6.536) 6.816 11.933 ( 6.571 2.894 -1.685) 7.375 12.123 ( 8.353 -0.809 11.382) 14.141 12.306 ( -5.607 -4.667 0.988) 7.362 12.335 ( -1.018 -2.724 -0.133) 2.911 12.595 ( -1.518 8.738 1.519) 8.998 12.857 ( -10.502 5.909 10.135) 15.746 13.634 ( 7.019 -22.604 2.777) 23.831 13.839 ( -3.145 -27.932 3.897) 28.377 15.021 ( 6.848 22.637 -1.009) 23.672 15.495 ( -17.766 31.025 -6.175) 36.281 15.730 ( 10.620 3.584 0.273) 11.212 16.076 ( -6.782 0.924 2.834) 7.409 23.404 ( 1.900 1.218 0.282) 2.274 23.485 ( -2.747 1.200 0.308) 3.014 23.744 ( 5.562 -1.852 0.230) 5.866 23.893 ( -2.076 -4.154 -0.004) 4.644 24.401 ( 7.607 0.022 2.054) 7.879 24.637 ( 1.156 0.568 -3.100) 3.357 25.114 ( 9.891 -16.693 1.320) 19.448 25.424 ( -4.767 -6.160 -3.826) 8.678 26.380 ( 3.979 0.648 4.981) 6.408 26.562 ( -5.309 -1.878 5.000) 7.531 26.848 ( 2.880 -9.160 2.033) 9.815 26.967 ( -3.489 -9.523 4.165) 10.964 27.461 ( 4.583 4.383 -0.498) 6.361 27.576 ( 3.552 6.154 -4.150) 8.229 27.739 ( -4.704 6.340 0.925) 7.949 27.891 ( -9.674 12.531 -3.504) 16.214 ======================= Grid point 59 (24/96) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -15.176 9.388 19.252) 26.251 1.712 ( 15.176 9.388 19.252) 26.251 2.015 ( -26.597 1.995 7.863) 27.806 2.015 ( 26.597 1.995 7.863) 27.806 3.250 ( -3.568 -4.813 0.472) 6.010 3.250 ( 3.568 -4.813 0.472) 6.010 3.536 ( -38.228 3.374 -1.849) 38.421 3.536 ( 38.228 3.374 -1.849) 38.421 3.832 ( -5.553 -11.341 4.922) 13.553 3.832 ( 5.553 -11.341 4.922) 13.553 4.067 ( -1.146 4.240 -1.460) 4.628 4.067 ( 1.146 4.240 -1.460) 4.628 4.495 ( -9.312 -7.157 3.640) 12.296 4.495 ( 9.312 -7.157 3.640) 12.296 5.129 ( -8.576 8.538 -1.909) 12.251 5.129 ( 8.576 8.538 -1.909) 12.251 5.385 ( -15.903 3.398 0.349) 16.266 5.385 ( 15.903 3.398 0.349) 16.266 5.642 ( -14.163 3.248 4.102) 15.099 5.642 ( 14.163 3.248 4.102) 15.099 6.003 ( -5.306 7.577 -0.652) 9.273 6.003 ( 5.306 7.577 -0.652) 9.273 6.254 ( -6.718 13.730 0.143) 15.286 6.254 ( 6.718 13.730 0.143) 15.286 6.926 ( -14.281 -10.765 -5.199) 18.624 6.926 ( 14.281 -10.765 -5.199) 18.624 7.275 ( -4.475 1.269 -7.047) 8.444 7.275 ( 4.475 1.269 -7.047) 8.444 8.655 ( -11.711 -7.886 -3.440) 14.532 8.655 ( 11.711 -7.886 -3.440) 14.532 9.251 ( -5.566 1.661 -14.470) 15.592 9.251 ( 5.566 1.661 -14.470) 15.592 9.673 ( -9.395 -5.755 -0.935) 11.057 9.673 ( 9.395 -5.755 -0.935) 11.057 9.894 ( -10.760 -10.067 8.319) 16.921 9.894 ( 10.760 -10.067 8.319) 16.921 10.725 ( -2.676 -2.900 -4.951) 6.331 10.725 ( 2.676 -2.900 -4.951) 6.331 10.967 ( -6.810 2.406 -10.546) 12.783 10.967 ( 6.810 2.406 -10.546) 12.783 11.420 ( -3.987 -1.441 -1.443) 4.479 11.420 ( 3.987 -1.441 -1.443) 4.479 11.663 ( -2.178 -2.073 5.717) 6.459 11.663 ( 2.178 -2.073 5.717) 6.459 12.079 ( -9.294 3.510 -2.617) 10.274 12.079 ( 9.294 3.510 -2.617) 10.274 12.316 ( -4.805 -4.981 5.273) 8.701 12.316 ( 4.805 -4.981 5.273) 8.701 12.664 ( -8.501 8.101 9.229) 14.936 12.664 ( 8.501 8.101 9.229) 14.936 13.753 ( -5.886 -27.812 3.404) 28.631 13.753 ( 5.886 -27.812 3.404) 28.631 15.208 ( -13.062 26.912 -3.880) 30.165 15.208 ( 13.062 26.912 -3.880) 30.165 15.924 ( -9.640 1.986 1.766) 10.000 15.924 ( 9.640 1.986 1.766) 10.000 23.441 ( -2.164 1.417 -0.202) 2.595 23.441 ( 2.164 1.417 -0.202) 2.595 23.833 ( -4.151 -2.799 0.737) 5.060 23.833 ( 4.151 -2.799 0.737) 5.060 24.550 ( -7.850 1.074 1.314) 8.032 24.550 ( 7.850 1.074 1.314) 8.032 25.301 ( -8.760 -10.969 -4.157) 14.640 25.301 ( 8.760 -10.969 -4.157) 14.640 26.465 ( -5.104 -0.261 5.133) 7.244 26.465 ( 5.104 -0.261 5.133) 7.244 26.904 ( -3.239 -9.390 3.127) 10.414 26.904 ( 3.239 -9.390 3.127) 10.414 27.554 ( -5.068 5.191 -1.821) 7.480 27.554 ( 5.068 5.191 -1.821) 7.480 27.751 ( -5.664 8.860 -1.524) 10.626 27.751 ( 5.664 8.860 -1.524) 10.626 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.000 28.246 8.837) 29.596 1.585 ( 0.000 31.396 8.415) 32.505 2.176 ( 0.000 31.875 21.505) 38.451 2.407 ( 0.000 13.486 17.753) 22.295 3.034 ( 0.000 5.002 4.202) 6.533 3.184 ( 0.000 -12.775 6.738) 14.443 3.294 ( 0.000 -2.082 2.575) 3.312 3.304 ( 0.000 -17.859 -3.357) 18.171 3.660 ( 0.000 -11.552 9.326) 14.846 3.851 ( 0.000 -7.189 -2.854) 7.735 4.051 ( 0.000 8.634 4.585) 9.776 4.141 ( 0.000 -16.238 8.123) 18.156 4.393 ( 0.000 10.404 -4.613) 11.381 4.790 ( 0.000 7.994 1.471) 8.129 4.996 ( 0.000 -2.932 -4.799) 5.624 5.077 ( 0.000 -0.892 1.053) 1.380 5.097 ( 0.000 4.101 -0.474) 4.128 5.392 ( 0.000 1.422 5.922) 6.090 5.474 ( 0.000 9.103 -8.079) 12.171 6.082 ( 0.000 4.949 -6.678) 8.312 6.093 ( 0.000 18.152 -9.159) 20.331 6.250 ( 0.000 -11.226 -4.523) 12.103 6.320 ( 0.000 -6.416 0.368) 6.427 6.594 ( 0.000 -12.425 -0.815) 12.451 6.738 ( 0.000 -1.190 -1.549) 1.953 6.925 ( 0.000 -6.559 7.925) 10.287 7.380 ( 0.000 -14.404 -9.072) 17.023 8.010 ( 0.000 -16.369 -4.791) 17.056 8.123 ( 0.000 23.659 -0.337) 23.661 8.435 ( 0.000 13.464 3.771) 13.982 8.784 ( 0.000 1.140 4.359) 4.506 9.001 ( 0.000 4.727 5.263) 7.074 9.103 ( 0.000 1.897 -9.193) 9.387 9.825 ( 0.000 2.430 2.966) 3.835 9.850 ( 0.000 -12.265 -9.842) 15.726 10.021 ( 0.000 -0.950 -4.601) 4.698 10.639 ( 0.000 4.023 -6.881) 7.971 10.767 ( 0.000 0.400 -1.937) 1.978 11.102 ( 0.000 -4.709 -4.088) 6.236 11.136 ( 0.000 -5.591 -13.671) 14.770 11.394 ( 0.000 -7.562 3.374) 8.281 11.429 ( 0.000 -5.368 -1.494) 5.572 11.461 ( 0.000 3.927 5.578) 6.821 11.686 ( 0.000 0.896 3.562) 3.673 11.804 ( 0.000 -1.838 2.326) 2.965 11.841 ( 0.000 -3.623 8.745) 9.466 12.137 ( 0.000 -7.802 11.987) 14.302 12.181 ( 0.000 -7.889 -2.668) 8.328 13.052 ( 0.000 3.148 -6.397) 7.130 13.194 ( 0.000 3.235 -2.335) 3.989 13.322 ( 0.000 2.373 6.024) 6.474 13.498 ( 0.000 -11.237 2.113) 11.434 15.314 ( 0.000 13.069 2.763) 13.357 15.538 ( 0.000 9.026 -11.636) 14.726 16.182 ( 0.000 0.093 7.376) 7.376 16.474 ( 0.000 0.477 -13.032) 13.040 23.381 ( 0.000 1.172 1.554) 1.947 23.485 ( 0.000 -1.607 -0.182) 1.618 23.623 ( 0.000 -2.072 2.120) 2.964 23.643 ( 0.000 -0.697 5.145) 5.192 24.191 ( 0.000 -0.499 11.220) 11.231 24.224 ( 0.000 -1.313 2.038) 2.424 24.995 ( 0.000 2.319 4.484) 5.048 25.406 ( 0.000 -6.024 -2.559) 6.545 26.352 ( 0.000 3.192 3.519) 4.752 26.623 ( 0.000 -1.953 4.702) 5.091 26.629 ( 0.000 -5.687 -1.540) 5.892 26.843 ( 0.000 -9.028 7.111) 11.492 27.461 ( 0.000 4.984 -1.339) 5.161 27.585 ( 0.000 3.389 -3.188) 4.653 27.999 ( 0.000 7.097 -2.740) 7.608 28.341 ( 0.000 -1.282 -8.400) 8.497 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.17 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 2.878 23.782 9.881) 25.913 1.613 ( 6.473 28.679 13.128) 32.198 2.322 ( -2.635 13.355 16.332) 21.261 2.531 ( 24.918 26.148 13.327) 38.500 2.893 ( -13.785 4.276 4.475) 15.111 3.137 ( -4.304 -14.938 3.793) 16.001 3.226 ( -6.362 -2.681 -0.244) 6.908 3.340 ( 3.171 -17.101 3.545) 17.751 3.607 ( -4.709 -16.354 9.853) 19.665 3.918 ( 6.617 -3.420 -3.492) 8.226 4.129 ( 6.801 3.759 4.155) 8.812 4.192 ( 3.951 -8.962 4.848) 10.928 4.360 ( -1.216 12.347 -2.179) 12.597 4.741 ( -7.820 0.183 0.417) 7.834 4.963 ( -7.561 -2.857 -0.391) 8.092 5.128 ( 10.285 -2.059 -5.342) 11.771 5.220 ( 9.264 13.725 -1.210) 16.603 5.399 ( 3.671 3.988 3.674) 6.548 5.585 ( 11.399 2.103 -4.527) 12.444 6.028 ( 0.413 10.612 -2.750) 10.971 6.104 ( -3.614 12.026 -4.184) 13.236 6.223 ( -5.500 -4.394 -3.368) 7.804 6.430 ( 10.037 -3.604 -5.439) 11.971 6.571 ( -13.679 -2.329 -0.708) 13.894 6.595 ( 1.017 -13.458 1.615) 13.593 6.961 ( 0.511 -3.302 4.410) 5.532 7.398 ( 0.595 -10.494 -12.077) 16.011 7.860 ( -12.883 -6.030 -4.049) 14.790 8.036 ( -4.843 18.298 0.587) 18.938 8.537 ( 7.642 5.089 1.952) 9.386 8.928 ( 12.886 -2.261 1.992) 13.234 9.062 ( 5.969 -0.854 0.738) 6.074 9.145 ( 4.346 0.804 -6.506) 7.866 9.778 ( -6.355 -9.124 -5.130) 12.246 9.789 ( -4.882 -3.535 -1.204) 6.146 9.997 ( -3.407 -4.036 -0.760) 5.336 10.654 ( 1.151 3.044 -5.601) 6.478 10.786 ( 2.494 0.617 -4.584) 5.255 11.022 ( -8.898 -0.662 -2.822) 9.359 11.097 ( -2.409 -5.820 -10.604) 12.334 11.370 ( -2.967 -3.606 2.168) 5.149 11.445 ( 2.941 -5.373 -0.428) 6.140 11.505 ( 3.393 0.989 1.420) 3.808 11.694 ( 0.152 1.671 1.677) 2.372 11.826 ( 3.497 -3.383 2.137) 5.314 11.938 ( 8.807 -0.283 11.082) 14.158 12.123 ( 1.145 -8.323 2.822) 8.863 12.257 ( 5.092 -6.670 3.800) 9.212 12.952 ( -10.843 7.175 -6.790) 14.668 13.083 ( -6.262 2.835 1.717) 7.085 13.346 ( -1.137 -2.785 7.029) 7.646 13.469 ( -3.236 -12.438 2.077) 13.019 15.327 ( 2.832 15.160 -1.564) 15.501 15.634 ( 8.643 6.516 -7.233) 13.018 16.144 ( -4.734 0.814 4.789) 6.783 16.314 ( -14.405 5.304 -7.864) 17.248 23.400 ( 1.987 1.719 0.966) 2.799 23.557 ( 0.111 0.366 -0.176) 0.421 23.592 ( 4.196 -2.107 -0.075) 4.695 23.731 ( 5.170 -5.593 2.577) 8.041 24.269 ( 5.569 -0.815 3.669) 6.719 24.313 ( 13.125 -3.159 7.964) 15.674 24.952 ( -4.514 1.727 4.828) 6.831 25.370 ( -3.978 -6.848 -2.516) 8.310 26.367 ( 1.668 2.968 3.652) 4.993 26.592 ( -2.274 -1.807 2.762) 4.008 26.654 ( 1.548 -5.408 1.024) 5.717 26.824 ( -1.982 -8.648 6.632) 11.077 27.489 ( 3.002 5.031 -1.298) 6.001 27.618 ( 3.440 3.522 -3.576) 6.085 27.960 ( -4.107 6.726 -2.167) 8.173 28.250 ( -8.865 0.995 -6.987) 11.331 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 18.793 12.432 9.724) 24.542 1.790 ( 11.467 22.419 14.373) 28.995 2.199 ( -8.830 13.662 15.983) 22.805 2.534 ( -22.247 3.744 4.228) 22.953 3.006 ( 5.699 -12.503 2.343) 13.939 3.098 ( -5.206 -7.906 0.096) 9.467 3.150 ( 20.157 11.739 3.850) 23.642 3.404 ( 3.801 -16.601 6.803) 18.339 3.528 ( -3.103 -19.875 9.432) 22.217 4.061 ( 7.944 -1.353 -5.168) 9.573 4.140 ( -12.335 2.419 -1.895) 12.712 4.229 ( -0.016 -1.689 -1.517) 2.271 4.401 ( 4.576 11.212 2.511) 12.368 4.511 ( -8.801 2.926 2.940) 9.730 4.964 ( 7.180 -2.756 3.892) 8.619 5.301 ( 4.853 -1.565 -3.395) 6.126 5.399 ( 10.319 13.811 -1.446) 17.301 5.490 ( 5.403 9.992 0.928) 11.397 5.723 ( -1.384 5.296 1.703) 5.732 5.951 ( -6.854 4.638 0.591) 8.297 6.122 ( -0.509 -0.077 -0.367) 0.632 6.159 ( 3.306 6.750 -3.141) 8.146 6.354 ( -4.530 -5.279 -5.620) 8.943 6.563 ( -0.342 4.477 -0.551) 4.523 6.636 ( 6.530 -5.549 -2.834) 9.026 6.914 ( -5.038 2.902 0.446) 5.831 7.330 ( -5.662 2.395 -10.815) 12.440 7.594 ( -15.785 5.595 -2.476) 16.929 8.141 ( 16.282 -3.044 -6.244) 17.702 8.617 ( -0.685 -4.080 -1.959) 4.578 9.137 ( 7.708 -4.262 -3.928) 9.644 9.203 ( 5.137 -8.582 -2.350) 10.274 9.265 ( 11.882 -2.425 -3.175) 12.536 9.613 ( -9.253 -16.066 -4.181) 19.005 9.696 ( -5.100 -2.681 2.638) 6.337 9.870 ( -10.246 -8.018 4.436) 13.746 10.670 ( 0.930 1.100 -2.431) 2.826 10.809 ( -5.624 2.297 -3.686) 7.106 10.898 ( 2.223 0.600 -5.303) 5.782 11.050 ( -3.006 -3.042 -8.422) 9.445 11.349 ( 1.536 -1.234 -0.976) 2.199 11.483 ( -0.785 0.920 4.383) 4.547 11.553 ( 3.000 -3.875 -6.465) 8.112 11.677 ( -2.014 0.189 0.953) 2.236 11.935 ( 7.836 -1.326 2.524) 8.338 12.118 ( 9.771 0.702 9.377) 13.561 12.184 ( 3.102 -6.052 1.816) 7.039 12.302 ( -1.004 -2.214 -0.173) 2.437 12.781 ( -4.324 8.262 -1.014) 9.381 12.965 ( -7.304 3.666 5.711) 9.970 13.288 ( -3.314 -10.058 7.362) 12.897 13.382 ( -5.777 -15.148 2.806) 16.453 15.440 ( 9.295 16.381 -4.476) 19.359 15.807 ( 9.473 3.610 -2.574) 10.460 15.942 ( -16.112 10.997 -5.365) 20.232 16.109 ( -7.366 2.232 3.802) 8.585 23.444 ( 2.487 2.577 -0.052) 3.581 23.523 ( -1.973 2.378 0.547) 3.138 23.688 ( 4.454 -3.309 -0.404) 5.564 23.780 ( 0.142 -5.823 0.692) 5.866 24.407 ( 9.288 0.665 2.889) 9.750 24.618 ( 13.674 -3.906 0.024) 14.221 24.860 ( -2.034 -4.096 6.678) 8.094 25.254 ( -8.836 -9.180 -2.017) 12.900 26.411 ( 3.034 2.320 3.893) 5.454 26.541 ( -3.323 -0.116 3.438) 4.783 26.686 ( 2.043 -6.217 2.020) 6.848 26.778 ( -2.741 -7.838 5.350) 9.878 27.568 ( 5.441 5.481 -1.439) 7.855 27.701 ( 4.700 4.570 -4.948) 8.213 27.863 ( -5.248 5.387 -0.379) 7.530 28.062 ( -10.481 3.465 -4.863) 12.063 ======================= Grid point 66 (28/96) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -5.311 14.491 14.899) 21.452 1.983 ( 5.311 14.491 14.899) 21.452 2.102 ( -18.500 7.658 7.201) 21.278 2.102 ( 18.500 7.658 7.201) 21.278 3.018 ( -2.034 -15.387 0.701) 15.536 3.018 ( 2.034 -15.387 0.701) 15.536 3.440 ( -3.336 -17.234 6.458) 18.704 3.440 ( 3.336 -17.234 6.458) 18.704 3.726 ( -26.939 6.253 -0.269) 27.656 3.726 ( 26.939 6.253 -0.269) 27.656 4.183 ( -4.761 0.231 -4.966) 6.883 4.183 ( 4.761 0.231 -4.966) 6.883 4.458 ( -1.357 9.080 5.057) 10.481 4.458 ( 1.357 9.080 5.057) 10.481 5.175 ( -13.549 -2.111 2.576) 13.952 5.175 ( 13.549 -2.111 2.576) 13.952 5.581 ( -3.158 10.555 -2.804) 11.369 5.581 ( 3.158 10.555 -2.804) 11.369 5.726 ( -10.769 5.691 3.520) 12.679 5.726 ( 10.769 5.691 3.520) 12.679 6.162 ( -4.076 4.187 -0.976) 5.924 6.162 ( 4.076 4.187 -0.976) 5.924 6.449 ( -10.163 -4.876 -2.545) 11.556 6.449 ( 10.163 -4.876 -2.545) 11.556 6.792 ( -8.340 8.646 -3.945) 12.644 6.792 ( 8.340 8.646 -3.945) 12.644 7.345 ( -8.768 5.419 -5.625) 11.742 7.345 ( 8.768 5.419 -5.625) 11.742 8.470 ( -15.280 -7.838 -7.263) 18.646 8.470 ( 15.280 -7.838 -7.263) 18.646 9.223 ( -2.289 -8.855 -6.458) 11.196 9.223 ( 2.289 -8.855 -6.458) 11.196 9.480 ( -8.090 -8.578 -0.536) 11.804 9.480 ( 8.090 -8.578 -0.536) 11.804 9.680 ( -6.761 -8.240 5.822) 12.145 9.680 ( 6.761 -8.240 5.822) 12.145 10.707 ( -3.643 1.775 -1.280) 4.250 10.707 ( 3.643 1.775 -1.280) 4.250 10.980 ( -4.515 -1.388 -7.157) 8.576 10.980 ( 4.515 -1.388 -7.157) 8.576 11.418 ( -4.928 1.262 -2.015) 5.471 11.418 ( 4.928 1.262 -2.015) 5.471 11.622 ( -3.782 -2.205 -1.141) 4.524 11.622 ( 3.782 -2.205 -1.141) 4.524 12.099 ( -9.229 -0.452 4.434) 10.249 12.099 ( 9.229 -0.452 4.434) 10.249 12.268 ( -4.406 -0.807 -0.589) 4.517 12.268 ( 4.406 -0.807 -0.589) 4.517 12.820 ( -7.064 6.456 6.548) 11.596 12.820 ( 7.064 6.456 6.548) 11.596 13.286 ( -3.452 -15.839 4.739) 16.889 13.286 ( 3.452 -15.839 4.739) 16.889 15.657 ( -14.001 15.387 -5.153) 21.432 15.657 ( 14.001 15.387 -5.153) 21.432 15.971 ( -8.151 1.883 1.385) 8.480 15.971 ( 8.151 1.883 1.385) 8.480 23.486 ( -2.133 2.855 -0.156) 3.567 23.486 ( 2.133 2.855 -0.156) 3.567 23.754 ( -2.672 -4.437 0.461) 5.200 23.754 ( 2.672 -4.437 0.461) 5.200 24.589 ( -9.527 2.746 1.851) 10.086 24.589 ( 9.527 2.746 1.851) 10.086 25.041 ( -14.107 -12.107 0.470) 18.596 25.041 ( 14.107 -12.107 0.470) 18.596 26.474 ( -3.699 1.289 3.890) 5.521 26.474 ( 3.699 1.289 3.890) 5.521 26.729 ( -2.547 -6.978 3.635) 8.270 26.729 ( 2.547 -6.978 3.635) 8.270 27.681 ( -6.159 6.420 -2.678) 9.291 27.681 ( 6.159 6.420 -2.678) 9.291 27.889 ( -7.717 3.411 -2.699) 8.859 27.889 ( 7.717 3.411 -2.699) 8.859 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.000 28.428 1.739) 28.481 2.208 ( 0.000 24.402 5.169) 24.944 2.651 ( 0.000 2.507 15.103) 15.310 2.658 ( 0.000 -6.528 1.973) 6.819 2.883 ( 0.000 1.253 12.928) 12.989 2.931 ( 0.000 1.305 4.595) 4.777 3.167 ( 0.000 -10.613 2.125) 10.824 3.193 ( 0.000 3.636 5.397) 6.507 3.381 ( 0.000 -22.337 7.759) 23.646 3.450 ( 0.000 -10.044 10.323) 14.403 4.125 ( 0.000 5.069 4.122) 6.534 4.188 ( 0.000 1.283 5.432) 5.582 4.617 ( 0.000 10.033 -5.132) 11.269 4.810 ( 0.000 -7.541 -6.771) 10.135 4.958 ( 0.000 4.812 0.096) 4.813 5.045 ( 0.000 -2.507 1.327) 2.837 5.410 ( 0.000 18.146 -0.380) 18.150 5.538 ( 0.000 16.311 3.679) 16.721 5.701 ( 0.000 11.566 -5.333) 12.737 5.807 ( 0.000 -19.502 -1.353) 19.548 5.988 ( 0.000 -12.960 -4.146) 13.607 6.057 ( 0.000 -26.410 1.544) 26.455 6.454 ( 0.000 6.699 -4.719) 8.194 6.461 ( 0.000 11.753 -11.893) 16.721 6.720 ( 0.000 3.354 0.725) 3.432 6.986 ( 0.000 -13.236 -7.683) 15.304 7.205 ( 0.000 14.299 0.776) 14.320 7.613 ( 0.000 -20.230 -2.470) 20.380 8.582 ( 0.000 16.623 -1.075) 16.658 8.680 ( 0.000 5.939 0.401) 5.953 8.822 ( 0.000 3.419 6.840) 7.647 8.976 ( 0.000 -6.995 7.318) 10.123 9.222 ( 0.000 11.326 -12.485) 16.857 9.541 ( 0.000 -16.238 -12.318) 20.382 9.912 ( 0.000 4.604 1.433) 4.822 9.987 ( 0.000 -2.442 -0.475) 2.488 10.723 ( 0.000 3.558 -3.992) 5.348 10.769 ( 0.000 -0.621 -3.055) 3.117 10.994 ( 0.000 -3.972 -9.743) 10.521 11.002 ( 0.000 -5.038 -10.906) 12.013 11.301 ( 0.000 -1.324 4.568) 4.756 11.324 ( 0.000 -3.355 2.581) 4.234 11.568 ( 0.000 6.030 1.412) 6.193 11.690 ( 0.000 -3.395 0.238) 3.403 11.753 ( 0.000 0.033 -0.371) 0.373 11.793 ( 0.000 -1.975 6.895) 7.173 12.020 ( 0.000 -2.509 14.040) 14.263 12.041 ( 0.000 -4.450 1.879) 4.830 13.112 ( 0.000 2.868 -4.954) 5.724 13.180 ( 0.000 -3.312 -1.974) 3.856 13.369 ( 0.000 1.630 5.436) 5.675 13.389 ( 0.000 -0.927 2.905) 3.049 15.550 ( 0.000 8.613 -6.967) 11.079 15.649 ( 0.000 0.159 -14.283) 14.284 16.236 ( 0.000 5.533 8.260) 9.942 16.386 ( 0.000 -7.086 -0.300) 7.092 23.411 ( 0.000 1.625 0.709) 1.773 23.448 ( 0.000 -1.833 0.078) 1.834 23.610 ( 0.000 0.354 2.414) 2.439 23.625 ( 0.000 -0.907 3.810) 3.916 24.187 ( 0.000 0.156 7.905) 7.906 24.199 ( 0.000 -0.920 4.532) 4.624 25.098 ( 0.000 6.693 0.680) 6.727 25.256 ( 0.000 -7.755 -1.475) 7.894 26.433 ( 0.000 4.262 2.409) 4.896 26.524 ( 0.000 -4.375 0.511) 4.405 26.614 ( 0.000 1.166 4.707) 4.849 26.685 ( 0.000 -5.624 6.276) 8.427 27.558 ( 0.000 3.852 -2.018) 4.348 27.611 ( 0.000 -0.839 -2.787) 2.910 28.147 ( 0.000 6.634 -3.924) 7.707 28.271 ( 0.000 -4.858 -5.530) 7.361 ======================= Grid point 71 (30/96) ======================= q-point: ( 0.17 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -4.469 26.292 3.033) 26.841 2.229 ( 3.049 27.072 9.726) 28.928 2.488 ( -7.539 -9.109 6.287) 13.392 2.786 ( -5.349 3.818 7.768) 10.175 2.809 ( 1.245 -18.470 8.215) 20.253 3.021 ( -4.862 -1.647 2.282) 5.618 3.080 ( -3.643 -4.894 4.559) 7.616 3.168 ( 5.701 11.725 7.841) 15.213 3.309 ( -6.841 -7.993 10.031) 14.537 3.596 ( 14.102 -18.606 4.521) 23.780 4.182 ( 4.542 3.986 2.401) 6.503 4.238 ( 3.696 0.582 4.090) 5.543 4.615 ( 0.269 10.286 -5.087) 11.478 4.749 ( -7.055 -0.632 -5.482) 8.956 4.917 ( -2.767 0.799 4.365) 5.230 5.030 ( 5.760 -6.875 0.435) 8.980 5.554 ( 2.390 15.672 3.700) 16.279 5.618 ( 14.723 18.621 -1.049) 23.762 5.746 ( 5.652 11.074 -4.832) 13.339 5.942 ( 3.949 -14.492 -1.527) 15.098 5.992 ( 6.771 -13.510 -2.952) 15.398 6.102 ( 3.568 -23.127 0.411) 23.404 6.350 ( -10.251 7.567 -1.754) 12.862 6.473 ( -6.146 -2.939 -4.793) 8.330 6.666 ( 3.871 16.000 -6.414) 17.667 7.047 ( 7.135 -16.130 -10.117) 20.334 7.214 ( 0.553 15.794 -0.088) 15.804 7.602 ( -1.654 -17.212 -3.511) 17.644 8.487 ( -9.271 21.595 0.779) 23.514 8.735 ( 3.386 7.174 0.640) 7.959 8.893 ( 7.468 -1.756 3.984) 8.644 8.928 ( -5.446 -10.275 4.156) 12.349 9.189 ( -1.504 5.997 -9.420) 11.268 9.446 ( -9.225 -16.152 -11.118) 21.670 9.847 ( -6.562 3.759 1.585) 7.726 9.924 ( -6.730 -3.412 1.091) 7.624 10.723 ( -0.044 3.700 -2.298) 4.356 10.788 ( 2.288 -1.355 -4.106) 4.892 10.995 ( -1.601 -1.665 -9.799) 10.067 11.006 ( -0.370 -1.802 -7.739) 7.954 11.301 ( 0.080 -1.919 2.781) 3.380 11.318 ( 2.739 -4.097 0.608) 4.965 11.595 ( 0.721 5.800 3.329) 6.726 11.713 ( -2.309 -3.576 1.187) 4.419 11.777 ( 7.387 2.406 -0.433) 7.781 11.882 ( 8.502 -5.896 -0.070) 10.347 12.036 ( 3.902 1.505 9.827) 10.680 12.120 ( 6.359 -5.706 7.767) 11.546 13.056 ( -6.141 3.211 -5.157) 8.638 13.105 ( -6.716 -1.130 -0.792) 6.856 13.312 ( -5.584 -0.217 5.151) 7.600 13.335 ( -6.217 -2.012 3.976) 7.648 15.590 ( 4.481 9.313 -7.159) 12.573 15.705 ( 5.545 -0.971 -11.210) 12.544 16.195 ( -4.407 4.552 6.689) 9.213 16.306 ( -8.013 -4.401 0.106) 9.143 23.447 ( 3.428 2.674 0.006) 4.348 23.512 ( 5.495 -3.317 -1.282) 6.545 23.599 ( -0.575 1.815 2.310) 2.994 23.648 ( 1.604 -2.810 3.150) 4.515 24.258 ( 6.820 -0.069 5.295) 8.634 24.269 ( 8.774 -1.190 6.899) 11.225 25.047 ( -5.422 6.550 0.975) 8.559 25.207 ( -5.315 -8.086 -1.171) 9.747 26.445 ( 1.246 4.135 2.539) 5.010 26.533 ( 0.863 -4.001 0.825) 4.175 26.605 ( -0.903 0.930 4.525) 4.707 26.672 ( -1.292 -5.360 5.845) 8.035 27.589 ( 3.301 4.002 -1.980) 5.553 27.644 ( 3.594 -0.909 -2.869) 4.688 28.099 ( -4.988 6.197 -3.579) 8.723 28.211 ( -6.188 -4.002 -5.093) 8.958 ======================= Grid point 72 (31/96) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 7.124 19.728 5.556) 21.698 2.303 ( 3.958 24.376 12.134) 27.515 2.384 ( -3.248 -8.619 6.405) 11.219 2.594 ( -16.829 3.503 4.813) 17.851 2.747 ( -5.091 0.203 7.186) 8.809 2.896 ( -9.642 -10.308 2.496) 14.333 2.967 ( -0.600 -16.477 7.383) 18.066 3.100 ( -6.657 -17.735 10.330) 21.577 3.543 ( 20.398 16.193 2.374) 26.152 3.857 ( 13.440 -13.338 -1.119) 18.968 4.182 ( -9.916 1.325 -3.220) 10.510 4.211 ( -4.556 -0.871 -2.750) 5.393 4.666 ( 6.316 10.880 3.546) 13.071 4.740 ( 6.630 10.166 0.615) 12.152 4.922 ( 3.326 1.630 7.005) 7.924 5.148 ( 2.788 -12.091 0.226) 12.410 5.619 ( 4.748 12.210 1.963) 13.247 5.776 ( 3.979 10.252 -2.534) 11.285 5.851 ( 1.177 2.644 -1.577) 3.296 5.967 ( -3.122 -0.029 -0.941) 3.261 6.103 ( 3.601 -11.059 -1.419) 11.717 6.170 ( -2.706 -3.157 -0.697) 4.216 6.177 ( 0.492 -1.698 -0.610) 1.870 6.296 ( -5.014 -8.784 -1.125) 10.177 6.897 ( 16.085 16.554 -10.667) 25.428 7.203 ( 2.165 10.652 -4.506) 11.767 7.246 ( 8.141 -5.247 -7.179) 12.056 7.535 ( -5.787 -9.937 -5.852) 12.903 8.347 ( -2.567 19.335 -0.217) 19.506 8.673 ( -10.849 10.748 -3.239) 15.612 8.816 ( -3.728 -22.164 0.531) 22.481 8.981 ( -4.654 -13.984 -3.457) 15.138 9.263 ( 10.019 0.486 -1.637) 10.163 9.323 ( 1.813 -7.387 -2.895) 8.139 9.690 ( -10.062 1.595 1.831) 10.351 9.752 ( -11.529 -4.092 2.823) 12.555 10.736 ( 1.722 4.912 -1.329) 5.372 10.839 ( 2.833 -3.083 -3.886) 5.713 10.902 ( -6.137 3.025 -2.795) 7.391 10.982 ( -3.186 -3.537 -5.749) 7.464 11.352 ( 5.654 1.786 -1.755) 6.184 11.425 ( 7.131 -4.828 -2.439) 8.950 11.563 ( -3.712 3.847 1.515) 5.556 11.649 ( -4.415 -3.307 0.059) 5.517 11.952 ( 10.591 3.458 -0.524) 11.153 12.058 ( 9.719 -5.714 -2.369) 11.521 12.152 ( 6.270 2.542 6.997) 9.733 12.227 ( 3.613 -4.174 6.223) 8.319 12.927 ( -5.065 5.281 -1.664) 7.505 12.996 ( -4.145 -0.977 1.111) 4.401 13.168 ( -10.115 -2.127 6.802) 12.374 13.185 ( -8.473 -4.169 3.404) 10.038 15.711 ( 8.384 9.214 -5.727) 13.711 15.831 ( 7.723 -2.063 -5.787) 9.869 16.075 ( -8.856 4.048 1.093) 9.799 16.134 ( -9.287 -0.911 1.714) 9.488 23.513 ( 3.283 3.903 -0.683) 5.145 23.583 ( -0.221 2.566 0.605) 2.646 23.607 ( 3.195 -3.608 -0.647) 4.863 23.668 ( 0.303 -4.518 1.617) 4.809 24.436 ( 12.114 2.234 4.239) 13.028 24.508 ( 15.980 -4.713 4.904) 17.368 24.902 ( -10.163 5.709 1.914) 11.813 25.060 ( -10.783 -8.718 -0.094) 13.867 26.477 ( 2.207 3.750 2.908) 5.234 26.548 ( 0.152 -0.758 2.148) 2.283 26.587 ( -0.508 -1.811 3.676) 4.129 26.641 ( -1.966 -4.955 4.676) 7.091 27.678 ( 6.306 4.511 -2.022) 8.012 27.741 ( 6.720 -0.905 -3.210) 7.502 27.976 ( -7.980 5.162 -2.711) 9.883 28.064 ( -9.157 -2.632 -4.188) 10.408 ======================= Grid point 73 (32/96) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -17.388 11.145 6.106) 21.537 2.237 ( 17.388 11.145 6.106) 21.537 2.358 ( -0.625 8.393 9.516) 12.704 2.358 ( 0.625 8.393 9.516) 12.704 2.737 ( -4.803 -4.265 4.314) 7.738 2.737 ( 4.803 -4.265 4.314) 7.738 3.010 ( -3.691 -20.874 9.237) 23.123 3.010 ( 3.691 -20.874 9.237) 23.123 3.902 ( -18.063 8.766 -2.950) 20.293 3.902 ( 18.063 8.766 -2.950) 20.293 4.076 ( -9.925 -7.449 -3.858) 12.995 4.076 ( 9.925 -7.449 -3.858) 12.995 4.785 ( -3.815 16.782 4.884) 17.890 4.785 ( 3.815 16.782 4.884) 17.890 5.066 ( -10.186 -8.872 4.582) 14.264 5.066 ( 10.186 -8.872 4.582) 14.264 5.743 ( -7.864 6.665 -0.704) 10.332 5.743 ( 7.864 6.665 -0.704) 10.332 5.857 ( -1.895 0.838 -0.720) 2.193 5.857 ( 1.895 0.838 -0.720) 2.193 6.135 ( -1.847 -0.793 -0.646) 2.111 6.135 ( 1.847 -0.793 -0.646) 2.111 6.255 ( -3.454 -8.193 -2.510) 9.239 6.255 ( 3.454 -8.193 -2.510) 9.239 7.144 ( -8.728 17.802 -7.080) 21.052 7.144 ( 8.728 17.802 -7.080) 21.052 7.402 ( -8.148 -4.082 -6.266) 11.059 7.402 ( 8.148 -4.082 -6.266) 11.059 8.447 ( -11.589 8.943 -5.020) 15.475 8.447 ( 11.589 8.943 -5.020) 15.475 8.823 ( -5.986 -22.822 -2.226) 23.699 8.823 ( 5.986 -22.822 -2.226) 23.699 9.451 ( -3.252 2.727 0.476) 4.271 9.451 ( 3.252 2.727 0.476) 4.271 9.539 ( -5.244 -5.356 3.049) 8.092 9.539 ( 5.244 -5.356 3.049) 8.092 10.792 ( -4.446 5.537 -1.502) 7.258 10.792 ( 4.446 5.537 -1.502) 7.258 10.910 ( -3.981 -4.949 -3.442) 7.224 10.910 ( 3.981 -4.949 -3.442) 7.224 11.468 ( -6.006 3.369 -1.184) 6.987 11.468 ( 6.006 3.369 -1.184) 6.987 11.552 ( -5.988 -4.175 -2.397) 7.683 11.552 ( 5.988 -4.175 -2.397) 7.683 12.130 ( -6.859 3.570 2.675) 8.182 12.130 ( 6.859 3.570 2.675) 8.182 12.219 ( -4.384 -3.885 -0.823) 5.916 12.219 ( 4.384 -3.885 -0.823) 5.916 12.939 ( -4.873 5.010 4.402) 8.260 12.939 ( 4.873 5.010 4.402) 8.260 13.057 ( -2.896 -7.010 4.018) 8.583 13.057 ( 2.896 -7.010 4.018) 8.583 15.887 ( -10.471 7.119 -3.220) 13.065 15.887 ( 10.471 7.119 -3.220) 13.065 15.978 ( -8.123 -1.669 -0.533) 8.310 15.978 ( 8.123 -1.669 -0.533) 8.310 23.560 ( -1.895 4.069 -0.078) 4.489 23.560 ( 1.895 4.069 -0.078) 4.489 23.655 ( -1.716 -4.716 0.128) 5.020 23.655 ( 1.716 -4.716 0.128) 5.020 24.672 ( -12.012 5.280 2.479) 13.353 24.672 ( 12.012 5.280 2.479) 13.353 24.819 ( -14.324 -8.689 2.444) 16.931 24.819 ( 14.324 -8.689 2.444) 16.931 26.521 ( -2.381 3.079 3.302) 5.104 26.521 ( 2.381 3.079 3.302) 5.104 26.605 ( -1.842 -4.842 3.322) 6.154 26.605 ( 1.842 -4.842 3.322) 6.154 27.811 ( -7.087 5.505 -2.804) 9.402 27.811 ( 7.087 5.505 -2.804) 9.402 27.898 ( -7.730 -2.257 -2.933) 8.570 27.898 ( 7.730 -2.257 -2.933) 8.570 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 0.000 31.042) 31.042 1.338 ( 0.000 0.000 31.224) 31.224 1.955 ( 0.000 0.000 46.668) 46.668 2.767 ( 0.000 0.000 35.449) 35.449 3.021 ( 0.000 0.000 6.210) 6.210 3.141 ( 0.000 0.000 4.499) 4.499 3.409 ( 0.000 0.000 -4.181) 4.181 3.685 ( 0.000 0.000 0.270) 0.270 3.757 ( 0.000 0.000 1.010) 1.010 3.914 ( 0.000 0.000 9.078) 9.078 3.948 ( 0.000 0.000 0.079) 0.079 4.365 ( 0.000 0.000 -1.967) 1.967 4.727 ( 0.000 0.000 6.896) 6.896 4.911 ( 0.000 0.000 4.158) 4.158 4.980 ( 0.000 0.000 -1.284) 1.284 4.990 ( 0.000 0.000 -5.150) 5.150 5.067 ( 0.000 0.000 -9.624) 9.624 5.280 ( 0.000 0.000 1.186) 1.186 5.351 ( 0.000 0.000 -1.992) 1.992 5.574 ( 0.000 0.000 12.509) 12.509 5.665 ( 0.000 0.000 -9.803) 9.803 6.376 ( 0.000 0.000 -10.055) 10.055 6.454 ( 0.000 0.000 -2.012) 2.012 6.531 ( 0.000 0.000 -5.683) 5.683 6.617 ( 0.000 0.000 -4.355) 4.355 7.057 ( 0.000 0.000 -19.667) 19.667 7.398 ( 0.000 0.000 -5.678) 5.678 8.063 ( 0.000 0.000 -28.481) 28.481 8.205 ( 0.000 0.000 -10.089) 10.089 8.586 ( 0.000 0.000 11.149) 11.149 8.617 ( 0.000 0.000 -2.308) 2.308 8.833 ( 0.000 0.000 3.949) 3.949 8.906 ( 0.000 0.000 -8.860) 8.860 9.714 ( 0.000 0.000 -16.456) 16.456 9.946 ( 0.000 0.000 4.206) 4.206 10.019 ( 0.000 0.000 -6.678) 6.678 10.372 ( 0.000 0.000 -3.686) 3.686 10.735 ( 0.000 0.000 -11.458) 11.458 10.973 ( 0.000 0.000 4.980) 4.980 11.233 ( 0.000 0.000 0.974) 0.974 11.443 ( 0.000 0.000 -1.244) 1.244 11.660 ( 0.000 0.000 11.058) 11.058 11.758 ( 0.000 0.000 2.002) 2.002 11.815 ( 0.000 0.000 5.554) 5.554 11.821 ( 0.000 0.000 -6.203) 6.203 12.079 ( 0.000 0.000 15.841) 15.841 12.402 ( 0.000 0.000 1.659) 1.659 12.770 ( 0.000 0.000 -9.966) 9.966 12.773 ( 0.000 0.000 0.352) 0.352 12.853 ( 0.000 0.000 2.094) 2.094 13.402 ( 0.000 0.000 7.893) 7.893 14.524 ( 0.000 0.000 10.882) 10.882 15.024 ( 0.000 0.000 -12.000) 12.000 15.167 ( 0.000 0.000 -4.037) 4.037 15.356 ( 0.000 0.000 9.736) 9.736 16.255 ( 0.000 0.000 1.881) 1.881 23.423 ( 0.000 0.000 4.215) 4.215 23.533 ( 0.000 0.000 0.921) 0.921 23.715 ( 0.000 0.000 -5.264) 5.264 23.793 ( 0.000 0.000 6.423) 6.423 24.280 ( 0.000 0.000 2.021) 2.021 24.431 ( 0.000 0.000 8.434) 8.434 25.241 ( 0.000 0.000 -2.402) 2.402 25.454 ( 0.000 0.000 -5.118) 5.118 26.423 ( 0.000 0.000 7.549) 7.549 26.760 ( 0.000 0.000 -1.443) 1.443 27.001 ( 0.000 0.000 1.591) 1.591 27.234 ( 0.000 0.000 -0.869) 0.869 27.311 ( 0.000 0.000 -0.598) 0.598 27.417 ( 0.000 0.000 4.944) 4.944 27.711 ( 0.000 0.000 -5.053) 5.053 27.925 ( 0.000 0.000 -3.847) 3.847 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 10.974 0.000 24.578) 26.917 1.483 ( 14.802 0.000 27.087) 30.867 2.281 ( 28.563 0.000 39.374) 48.644 2.693 ( -7.791 0.000 33.549) 34.441 2.871 ( -12.969 0.000 7.358) 14.911 3.179 ( 2.865 0.000 2.692) 3.931 3.445 ( 0.273 0.000 -0.929) 0.968 3.733 ( 6.306 0.000 -1.312) 6.441 3.765 ( 1.754 0.000 2.536) 3.084 3.978 ( 6.607 0.000 7.899) 10.298 3.982 ( 2.767 0.000 -2.067) 3.454 4.425 ( 7.032 0.000 -1.538) 7.198 4.648 ( -15.510 0.000 -3.797) 15.968 4.678 ( -12.091 0.000 0.529) 12.103 4.949 ( 4.373 0.000 2.684) 5.131 5.105 ( 2.525 0.000 -9.479) 9.809 5.138 ( 1.976 0.000 3.288) 3.836 5.322 ( -1.339 0.000 -0.324) 1.377 5.417 ( 8.724 0.000 3.297) 9.326 5.615 ( 0.637 0.000 -5.203) 5.242 5.726 ( 15.643 0.000 3.782) 16.093 6.266 ( -16.379 0.000 -7.122) 17.860 6.380 ( -8.065 0.000 -0.275) 8.070 6.408 ( -7.294 0.000 -8.873) 11.486 6.617 ( -0.821 0.000 -3.459) 3.555 6.965 ( -3.529 0.000 -17.252) 17.610 7.534 ( 0.687 0.000 1.541) 1.687 7.768 ( -25.642 0.000 -17.879) 31.260 8.119 ( 3.124 0.000 -12.174) 12.569 8.536 ( 0.641 0.000 -5.240) 5.279 8.737 ( 9.622 0.000 4.572) 10.653 8.965 ( 4.555 0.000 -9.806) 10.812 9.089 ( 16.439 0.000 -3.684) 16.847 9.803 ( 4.607 0.000 -13.199) 13.980 9.950 ( 0.680 0.000 3.118) 3.191 10.076 ( 7.287 0.000 -10.559) 12.829 10.390 ( 1.942 0.000 -4.248) 4.671 10.708 ( -2.913 0.000 -11.504) 11.867 10.947 ( -3.403 0.000 5.505) 6.472 11.137 ( -10.122 0.000 1.419) 10.221 11.411 ( -2.539 0.000 0.098) 2.541 11.644 ( -1.035 0.000 6.239) 6.324 11.763 ( -0.246 0.000 3.254) 3.263 11.788 ( -1.766 0.000 -4.838) 5.150 11.834 ( 3.017 0.000 7.485) 8.070 12.174 ( 6.803 0.000 11.939) 13.741 12.423 ( 1.926 0.000 1.580) 2.491 12.533 ( -12.544 0.000 -4.514) 13.331 12.674 ( -7.354 0.000 5.310) 9.070 13.009 ( 5.432 0.000 2.309) 5.902 13.588 ( 16.256 0.000 1.573) 16.332 14.532 ( 1.430 0.000 8.842) 8.956 14.871 ( -14.733 0.000 -7.661) 16.606 15.039 ( -9.068 0.000 -0.303) 9.073 15.514 ( 12.070 0.000 5.621) 13.314 16.218 ( -3.934 0.000 1.957) 4.394 23.417 ( -0.469 0.000 3.438) 3.470 23.554 ( -2.587 0.000 0.132) 2.590 23.650 ( 2.840 0.000 -0.232) 2.849 23.903 ( 4.505 0.000 -0.916) 4.597 24.336 ( 5.646 0.000 2.730) 6.271 24.502 ( 7.147 0.000 5.413) 8.966 25.218 ( -1.960 0.000 -2.637) 3.286 25.434 ( -2.174 0.000 -5.570) 5.980 26.447 ( 2.612 0.000 7.687) 8.118 26.745 ( -1.765 0.000 0.362) 1.802 27.008 ( 0.753 0.000 1.539) 1.714 27.181 ( -3.775 0.000 -0.063) 3.775 27.375 ( 4.959 0.000 -1.539) 5.193 27.424 ( 0.885 0.000 4.376) 4.465 27.693 ( -1.948 0.000 -4.869) 5.244 27.831 ( -8.864 0.000 -0.935) 8.913 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 25.160 0.000 16.967) 30.347 1.829 ( 21.410 0.000 19.707) 29.099 2.438 ( -15.888 0.000 27.887) 32.096 2.588 ( -17.657 0.000 9.745) 20.168 2.889 ( 31.926 0.000 24.003) 39.943 3.240 ( 3.801 0.000 2.054) 4.320 3.398 ( -4.173 0.000 1.427) 4.410 3.812 ( -0.552 0.000 0.089) 0.559 3.873 ( 7.158 0.000 -2.806) 7.688 4.011 ( -0.132 0.000 -4.207) 4.209 4.105 ( 3.754 0.000 6.262) 7.301 4.217 ( -21.066 0.000 -5.584) 21.794 4.590 ( 0.507 0.000 9.610) 9.624 4.626 ( 13.735 0.000 -3.041) 14.068 5.028 ( -12.809 0.000 5.029) 13.761 5.053 ( -6.136 0.000 -5.104) 7.982 5.091 ( 9.465 0.000 -3.205) 9.993 5.402 ( 8.364 0.000 1.100) 8.436 5.543 ( 8.913 0.000 8.482) 12.304 5.742 ( 7.284 0.000 0.637) 7.312 5.904 ( -17.614 0.000 -6.787) 18.877 6.025 ( 10.261 0.000 -4.456) 11.187 6.203 ( -8.397 0.000 2.460) 8.750 6.217 ( -15.251 0.000 -6.743) 16.675 6.612 ( 4.183 0.000 -4.661) 6.262 6.977 ( 4.573 0.000 -11.590) 12.460 7.291 ( -24.866 0.000 -12.152) 27.677 7.347 ( -14.362 0.000 1.552) 14.446 8.389 ( 19.500 0.000 -11.848) 22.817 8.647 ( 10.126 0.000 -13.769) 17.091 8.828 ( -0.718 0.000 -1.289) 1.476 8.989 ( -3.230 0.000 -13.611) 13.989 9.399 ( 17.568 0.000 -4.113) 18.043 9.811 ( -2.830 0.000 -3.428) 4.445 9.978 ( 2.915 0.000 1.014) 3.086 10.199 ( 1.061 0.000 -12.590) 12.634 10.444 ( 3.925 0.000 -6.107) 7.260 10.632 ( -5.116 0.000 -11.008) 12.139 10.828 ( -6.286 0.000 6.180) 8.815 10.967 ( -7.126 0.000 -0.696) 7.160 11.390 ( 1.216 0.000 1.092) 1.634 11.579 ( -6.012 0.000 1.595) 6.220 11.796 ( 3.086 0.000 -5.083) 5.946 11.805 ( 4.433 0.000 7.302) 8.542 11.889 ( 1.795 0.000 7.765) 7.970 12.113 ( -11.843 0.000 -4.166) 12.554 12.461 ( 2.085 0.000 2.179) 3.016 12.545 ( 12.199 0.000 11.716) 16.914 12.565 ( -4.336 0.000 6.251) 7.608 12.998 ( -6.481 0.000 8.765) 10.900 13.907 ( 17.623 0.000 -2.638) 17.820 14.558 ( -18.009 0.000 -3.628) 18.371 14.595 ( 5.510 0.000 4.589) 7.171 14.877 ( -8.564 0.000 0.730) 8.595 15.740 ( 12.092 0.000 3.930) 12.715 16.113 ( -7.474 0.000 2.249) 7.805 23.413 ( 0.244 0.000 1.844) 1.860 23.481 ( -3.578 0.000 0.623) 3.632 23.761 ( 6.549 0.000 -1.041) 6.631 23.924 ( -1.555 0.000 -1.358) 2.065 24.460 ( 7.330 0.000 4.030) 8.365 24.619 ( 3.059 0.000 2.251) 3.798 25.206 ( 1.682 0.000 -4.725) 5.015 25.375 ( -4.322 0.000 -6.474) 7.784 26.515 ( 4.620 0.000 7.816) 9.079 26.693 ( -3.865 0.000 4.177) 5.691 27.029 ( 1.538 0.000 1.376) 2.064 27.116 ( -3.195 0.000 0.613) 3.253 27.455 ( 2.627 0.000 3.042) 4.020 27.471 ( 5.249 0.000 -2.583) 5.850 27.641 ( -3.603 0.000 -4.343) 5.643 27.659 ( -8.743 0.000 1.501) 8.871 ======================= Grid point 101 (36/96) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -23.454 0.000 20.930) 31.434 2.070 ( 23.454 0.000 20.930) 31.434 2.228 ( -21.200 0.000 13.753) 25.270 2.228 ( 21.200 0.000 13.753) 25.270 3.316 ( -4.415 0.000 1.913) 4.811 3.316 ( 4.415 0.000 1.913) 4.811 3.473 ( -30.318 0.000 2.891) 30.455 3.473 ( 30.318 0.000 2.891) 30.455 3.974 ( -3.811 0.000 -3.744) 5.343 3.974 ( 3.811 0.000 -3.744) 5.343 4.102 ( -4.430 0.000 7.010) 8.293 4.102 ( 4.430 0.000 7.010) 8.293 4.752 ( -14.939 0.000 7.614) 16.768 4.752 ( 14.939 0.000 7.614) 16.768 4.871 ( -11.959 0.000 -5.258) 13.064 4.871 ( 11.959 0.000 -5.258) 13.064 5.345 ( -14.778 0.000 -3.419) 15.168 5.345 ( 14.778 0.000 -3.419) 15.168 5.727 ( -8.881 0.000 7.225) 11.449 5.727 ( 8.881 0.000 7.225) 11.449 5.895 ( -16.025 0.000 -2.611) 16.237 5.895 ( 16.025 0.000 -2.611) 16.237 6.103 ( -5.029 0.000 -0.643) 5.070 6.103 ( 5.029 0.000 -0.643) 5.070 6.866 ( -20.774 0.000 -10.553) 23.300 6.866 ( 20.774 0.000 -10.553) 23.300 7.116 ( -10.239 0.000 -5.459) 11.604 7.116 ( 10.239 0.000 -5.459) 11.604 8.701 ( -12.808 0.000 -6.889) 14.543 8.701 ( 12.808 0.000 -6.889) 14.543 8.852 ( -10.617 0.000 -16.149) 19.327 8.852 ( 10.617 0.000 -16.149) 19.327 9.687 ( -11.721 0.000 -2.802) 12.051 9.687 ( 11.721 0.000 -2.802) 12.051 10.085 ( -8.885 0.000 -2.386) 9.199 10.085 ( 8.885 0.000 -2.386) 9.199 10.531 ( -5.438 0.000 -8.925) 10.451 10.531 ( 5.438 0.000 -8.925) 10.451 10.842 ( -5.938 0.000 0.099) 5.938 10.842 ( 5.938 0.000 0.099) 5.938 11.461 ( -5.940 0.000 1.117) 6.044 11.461 ( 5.940 0.000 1.117) 6.044 11.879 ( -2.778 0.000 8.222) 8.678 11.879 ( 2.778 0.000 8.222) 8.678 11.908 ( -9.058 0.000 -5.605) 10.652 11.908 ( 9.058 0.000 -5.605) 10.652 12.504 ( -2.702 0.000 3.905) 4.749 12.504 ( 2.702 0.000 3.905) 4.749 12.801 ( -13.689 0.000 12.725) 18.690 12.801 ( 13.689 0.000 12.725) 18.690 14.230 ( -17.623 0.000 -3.157) 17.903 14.230 ( 17.623 0.000 -3.157) 17.903 14.724 ( -8.019 0.000 1.823) 8.224 14.724 ( 8.019 0.000 1.823) 8.224 15.948 ( -10.293 0.000 2.885) 10.690 15.948 ( 10.293 0.000 2.885) 10.690 23.431 ( -1.822 0.000 0.851) 2.011 23.431 ( 1.822 0.000 0.851) 2.011 23.865 ( -4.598 0.000 -1.061) 4.719 23.865 ( 4.598 0.000 -1.061) 4.719 24.586 ( -5.568 0.000 3.656) 6.661 24.586 ( 5.568 0.000 3.656) 6.661 25.281 ( -5.452 0.000 -6.772) 8.694 25.281 ( 5.452 0.000 -6.772) 8.694 26.608 ( -5.129 0.000 6.988) 8.668 26.608 ( 5.129 0.000 6.988) 8.668 27.065 ( -2.366 0.000 1.078) 2.600 27.065 ( 2.366 0.000 1.078) 2.600 27.528 ( -5.460 0.000 2.009) 5.818 27.528 ( 5.460 0.000 2.009) 5.818 27.564 ( -4.744 0.000 -3.548) 5.924 27.564 ( 4.744 0.000 -3.548) 5.924 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 16.646 25.171) 30.178 1.426 ( 0.000 9.061 27.938) 29.371 2.204 ( 0.000 20.564 38.802) 43.915 2.760 ( 0.000 0.874 29.190) 29.203 3.063 ( 0.000 3.841 7.467) 8.397 3.248 ( 0.000 5.973 4.485) 7.469 3.465 ( 0.000 4.266 0.574) 4.304 3.578 ( 0.000 -7.159 8.071) 10.789 3.826 ( 0.000 0.740 -3.586) 3.662 3.895 ( 0.000 -4.546 -1.555) 4.805 4.027 ( 0.000 11.703 2.728) 12.017 4.206 ( 0.000 -9.759 5.270) 11.091 4.714 ( 0.000 3.313 4.137) 5.300 4.736 ( 0.000 -20.340 0.466) 20.345 4.968 ( 0.000 -1.251 -2.435) 2.738 5.082 ( 0.000 3.997 0.416) 4.019 5.116 ( 0.000 -1.200 1.224) 1.714 5.126 ( 0.000 3.307 -10.546) 11.052 5.544 ( 0.000 -1.333 9.553) 9.645 5.634 ( 0.000 1.770 -10.861) 11.004 5.686 ( 0.000 16.960 -3.575) 17.333 6.306 ( 0.000 -6.165 -8.385) 10.408 6.453 ( 0.000 -6.081 -4.142) 7.357 6.494 ( 0.000 2.770 -2.947) 4.045 6.653 ( 0.000 2.376 -4.518) 5.104 7.080 ( 0.000 -0.096 -18.683) 18.683 7.611 ( 0.000 17.983 -6.052) 18.974 7.672 ( 0.000 -27.800 -13.954) 31.105 8.118 ( 0.000 -7.595 -8.285) 11.239 8.454 ( 0.000 -4.938 1.765) 5.244 8.851 ( 0.000 1.535 4.334) 4.598 8.889 ( 0.000 5.157 -2.773) 5.855 8.916 ( 0.000 10.273 0.300) 10.277 9.753 ( 0.000 3.337 -15.092) 15.457 9.875 ( 0.000 -5.039 0.753) 5.095 9.908 ( 0.000 -9.662 -8.068) 12.587 10.428 ( 0.000 4.515 -3.033) 5.439 10.792 ( 0.000 3.929 -4.065) 5.653 10.923 ( 0.000 -3.709 -1.320) 3.937 11.184 ( 0.000 -4.741 -0.059) 4.741 11.435 ( 0.000 -0.793 -1.489) 1.687 11.610 ( 0.000 -2.889 6.987) 7.561 11.692 ( 0.000 -8.981 5.112) 10.334 11.749 ( 0.000 -1.132 3.037) 3.241 11.864 ( 0.000 1.839 -3.416) 3.879 12.002 ( 0.000 -6.813 7.716) 10.293 12.429 ( 0.000 1.533 8.334) 8.474 12.559 ( 0.000 -15.338 6.747) 16.756 12.827 ( 0.000 4.502 -8.329) 9.468 12.969 ( 0.000 8.438 -1.939) 8.658 13.408 ( 0.000 0.741 7.153) 7.191 13.980 ( 0.000 -26.395 5.780) 27.020 15.217 ( 0.000 4.371 -5.624) 7.123 15.311 ( 0.000 5.766 13.208) 14.411 15.741 ( 0.000 28.952 -18.662) 34.445 16.262 ( 0.000 0.703 2.178) 2.289 23.425 ( 0.000 0.148 3.925) 3.927 23.522 ( 0.000 -1.012 0.885) 1.344 23.680 ( 0.000 -2.600 -3.063) 4.018 23.782 ( 0.000 -0.997 5.903) 5.987 24.281 ( 0.000 0.127 2.709) 2.712 24.430 ( 0.000 -0.173 8.749) 8.750 25.165 ( 0.000 -5.428 1.975) 5.776 25.423 ( 0.000 -2.927 -4.978) 5.774 26.432 ( 0.000 0.907 7.647) 7.700 26.715 ( 0.000 -3.633 -0.323) 3.647 26.859 ( 0.000 -8.694 5.721) 10.407 27.169 ( 0.000 -6.757 5.003) 8.408 27.343 ( 0.000 3.043 -1.176) 3.263 27.425 ( 0.000 2.485 -2.658) 3.639 27.794 ( 0.000 6.090 -3.722) 7.137 28.056 ( 0.000 7.616 -8.640) 11.517 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 7.960 14.835 21.755) 27.509 1.557 ( 13.320 7.882 25.123) 29.508 2.454 ( 20.393 13.915 30.795) 39.469 2.704 ( -4.305 2.799 29.309) 29.756 2.932 ( -11.885 4.881 8.817) 15.582 3.234 ( -1.002 2.630 3.070) 4.165 3.453 ( -2.736 -1.826 2.900) 4.385 3.638 ( 6.054 -3.578 5.900) 9.179 3.874 ( 4.675 0.407 -3.228) 5.696 3.943 ( 3.773 -3.770 -2.053) 5.715 4.026 ( 0.548 9.175 4.425) 10.201 4.235 ( 2.843 -9.589 4.782) 11.086 4.530 ( -15.498 -10.881 -7.968) 20.544 4.759 ( 3.872 4.603 4.866) 7.737 5.016 ( -4.823 -1.090 1.513) 5.171 5.056 ( -6.542 -2.725 -0.309) 7.094 5.149 ( 6.327 0.580 -4.159) 7.594 5.186 ( 11.737 0.227 -2.946) 12.103 5.636 ( 7.212 3.084 1.866) 8.062 5.671 ( 2.809 6.859 -6.023) 9.550 5.737 ( 10.073 10.116 0.762) 14.297 6.230 ( -8.707 -3.755 -5.811) 11.121 6.383 ( -6.721 -0.990 -6.987) 9.746 6.473 ( -7.248 4.513 -2.912) 9.021 6.625 ( 0.170 1.091 -2.357) 2.603 7.006 ( -4.491 2.262 -17.401) 18.113 7.479 ( -16.692 -18.122 -10.050) 26.609 7.712 ( -0.364 11.001 -0.755) 11.033 7.967 ( -6.068 -11.658 -9.008) 15.933 8.497 ( 7.387 -2.672 -5.458) 9.565 8.885 ( 1.212 7.541 -1.725) 7.830 8.982 ( 6.958 2.916 -4.511) 8.791 9.071 ( 14.593 0.018 -0.262) 14.596 9.807 ( 1.157 -0.759 -9.534) 9.634 9.866 ( -0.680 -6.197 0.779) 6.283 9.956 ( 7.068 -9.204 -11.976) 16.676 10.441 ( 1.377 4.110 -3.634) 5.656 10.776 ( -2.053 4.898 -6.954) 8.750 10.887 ( -3.872 -4.670 1.457) 6.239 11.107 ( -8.501 -2.919 0.947) 9.038 11.401 ( -2.311 -0.860 -0.675) 2.557 11.601 ( -1.016 -2.492 4.583) 5.315 11.669 ( -1.313 -8.013 3.562) 8.867 11.783 ( 3.297 -2.264 2.209) 4.569 11.835 ( -0.634 1.234 1.072) 1.754 12.126 ( 10.121 -5.016 5.917) 12.752 12.411 ( -3.815 0.553 5.531) 6.742 12.517 ( -5.080 -10.890 5.451) 13.195 12.666 ( -6.618 7.991 -2.180) 10.602 13.054 ( 3.060 3.402 1.919) 4.962 13.532 ( 10.276 -3.890 4.120) 11.735 13.965 ( -1.597 -26.976 4.855) 27.456 15.059 ( -7.810 9.118 1.418) 12.089 15.504 ( 10.114 8.982 3.176) 13.895 15.622 ( -9.255 23.239 -12.343) 27.894 16.229 ( -3.633 1.037 2.004) 4.276 23.421 ( -0.243 0.383 3.136) 3.169 23.552 ( -1.050 -0.093 0.086) 1.058 23.635 ( 2.203 -1.349 -0.223) 2.593 23.862 ( 3.895 -3.403 0.526) 5.199 24.337 ( 5.693 0.162 3.350) 6.607 24.502 ( 7.381 -0.072 6.045) 9.541 25.140 ( -2.285 -5.776 1.787) 6.463 25.399 ( -2.631 -3.281 -5.179) 6.672 26.453 ( 2.284 0.656 7.619) 7.981 26.702 ( -1.456 -3.231 1.368) 3.799 26.873 ( 1.581 -8.659 5.002) 10.124 27.129 ( -3.585 -5.880 4.530) 8.243 27.381 ( 3.321 1.792 -0.582) 3.818 27.441 ( 1.851 3.050 -3.433) 4.951 27.776 ( -1.945 5.910 -3.232) 7.011 27.972 ( -8.032 8.488 -6.338) 13.294 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 22.061 8.997 15.476) 28.411 1.867 ( 19.200 4.709 20.493) 28.474 2.455 ( -13.423 2.849 24.226) 27.842 2.611 ( -18.040 1.740 9.173) 20.313 3.027 ( 25.930 11.249 20.179) 34.729 3.236 ( 1.981 -2.420 2.631) 4.087 3.375 ( -5.152 -4.885 3.110) 7.751 3.754 ( 4.848 -2.482 3.606) 6.532 3.948 ( 0.245 0.803 -5.294) 5.360 3.979 ( -0.600 -4.743 -0.101) 4.782 4.046 ( 0.088 -0.119 5.356) 5.358 4.117 ( -15.772 -5.260 -5.154) 17.406 4.402 ( 6.209 -4.342 2.164) 7.879 4.743 ( -7.950 -10.853 3.663) 13.944 4.980 ( 4.294 13.454 -0.482) 14.131 5.089 ( 10.890 -0.133 3.208) 11.354 5.205 ( -0.298 7.593 -5.078) 9.140 5.433 ( 11.058 -0.425 2.655) 11.381 5.623 ( -0.710 8.472 3.319) 9.126 5.793 ( 6.090 5.717 -1.663) 8.517 5.973 ( -7.467 4.487 -1.113) 8.783 6.084 ( 11.857 2.364 -8.119) 14.564 6.219 ( -11.878 3.589 -0.194) 12.410 6.283 ( -9.574 4.506 -6.985) 12.679 6.626 ( 0.283 2.412 -2.293) 3.340 6.985 ( 2.478 -1.035 -12.337) 12.625 7.136 ( -18.843 -11.131 -9.901) 24.021 7.434 ( -19.094 6.951 2.180) 20.436 8.168 ( 18.516 -13.568 -11.467) 25.660 8.629 ( 2.516 -6.655 -10.412) 12.611 8.912 ( 2.897 8.214 -9.344) 12.774 9.068 ( 1.015 5.713 -5.807) 8.209 9.360 ( 16.560 -3.724 -3.173) 17.268 9.770 ( -4.300 -4.404 -2.706) 6.724 9.871 ( 1.916 -9.037 0.194) 9.240 10.060 ( -0.015 -11.012 -10.314) 15.087 10.485 ( 3.886 3.540 -6.103) 8.055 10.693 ( -6.693 4.031 -9.244) 12.104 10.819 ( -1.741 -1.041 4.967) 5.365 10.944 ( -7.502 -1.020 -1.373) 7.695 11.374 ( -0.237 -1.108 0.803) 1.389 11.517 ( -6.574 -4.212 0.991) 7.871 11.724 ( 5.813 -5.030 5.457) 9.427 11.852 ( 1.050 -0.891 7.012) 7.146 11.858 ( 5.132 0.571 -2.652) 5.804 12.198 ( -10.908 5.891 -3.829) 12.974 12.331 ( 5.306 -7.229 1.858) 9.157 12.446 ( -1.813 -7.720 8.935) 11.947 12.690 ( 7.031 6.974 7.188) 12.237 13.034 ( -5.421 2.626 7.197) 9.385 13.703 ( 7.860 -14.068 3.661) 16.525 13.919 ( -3.633 -27.397 3.484) 27.856 15.000 ( 1.987 16.790 -0.847) 16.929 15.348 ( -13.823 27.516 -7.716) 31.744 15.760 ( 12.081 1.513 2.900) 12.516 16.128 ( -7.280 1.335 2.000) 7.667 23.422 ( 0.564 0.911 1.607) 1.932 23.494 ( -3.273 1.271 0.625) 3.566 23.737 ( 6.152 -2.199 -1.139) 6.632 23.884 ( -1.158 -3.488 -0.854) 3.773 24.465 ( 7.761 0.590 4.317) 8.901 24.632 ( 3.784 1.112 2.353) 4.593 25.120 ( 1.657 -6.981 -0.490) 7.192 25.326 ( -5.294 -4.395 -5.372) 8.729 26.512 ( 3.893 -0.129 7.397) 8.360 26.659 ( -3.235 -2.405 4.404) 5.971 26.917 ( 3.079 -8.045 4.204) 9.586 27.056 ( -4.129 -5.951 4.323) 8.435 27.446 ( 3.550 1.805 -1.076) 4.125 27.488 ( 2.646 3.299 -4.440) 6.132 27.730 ( -2.647 5.835 -1.842) 6.666 27.812 ( -8.078 8.956 -3.682) 12.610 ======================= Grid point 108 (40/96) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -21.116 6.148 18.658) 28.841 2.135 ( 21.116 6.148 18.658) 28.841 2.237 ( -20.622 1.153 14.012) 24.959 2.237 ( 20.622 1.153 14.012) 24.959 3.279 ( -4.598 -4.880 2.371) 7.112 3.279 ( 4.598 -4.880 2.371) 7.112 3.538 ( -25.515 4.053 2.633) 25.968 3.538 ( 25.515 4.053 2.633) 25.968 3.922 ( -4.034 -4.874 2.182) 6.693 3.922 ( 4.034 -4.874 2.182) 6.693 4.050 ( -1.624 -1.252 1.673) 2.646 4.050 ( 1.624 -1.252 1.673) 2.646 4.568 ( -10.124 -8.681 2.941) 13.657 4.568 ( 10.124 -8.681 2.941) 13.657 5.103 ( -7.967 12.252 -0.139) 14.615 5.103 ( 7.967 12.252 -0.139) 14.615 5.374 ( -14.965 3.188 -1.533) 15.377 5.374 ( 14.965 3.188 -1.533) 15.377 5.747 ( -9.250 2.613 5.392) 11.021 5.747 ( 9.250 2.613 5.392) 11.021 5.981 ( -10.951 6.342 -1.618) 12.758 5.981 ( 10.951 6.342 -1.618) 12.758 6.214 ( -1.629 9.155 -5.185) 10.647 6.214 ( 1.629 9.155 -5.185) 10.647 6.773 ( -16.346 -8.066 -9.075) 20.362 6.773 ( 16.346 -8.066 -9.075) 20.362 7.143 ( -11.901 3.007 -3.982) 12.904 7.143 ( 11.901 3.007 -3.982) 12.904 8.497 ( -14.979 -12.144 -11.544) 22.474 8.497 ( 14.979 -12.144 -11.544) 22.474 9.015 ( -6.050 8.382 -10.002) 14.384 9.015 ( 6.050 8.382 -10.002) 14.384 9.634 ( -11.521 -5.319 -2.619) 12.957 9.634 ( 11.521 -5.319 -2.619) 12.957 9.957 ( -7.425 -10.629 -1.947) 13.111 9.957 ( 7.425 -10.629 -1.947) 13.111 10.580 ( -5.713 3.244 -8.159) 10.475 10.580 ( 5.713 3.244 -8.159) 10.475 10.839 ( -3.780 0.478 0.089) 3.811 10.839 ( 3.780 0.478 0.089) 3.811 11.410 ( -4.281 -3.189 0.774) 5.394 11.410 ( 4.281 -3.189 0.774) 5.394 11.827 ( -4.085 -3.886 8.461) 10.168 11.827 ( 4.085 -3.886 8.461) 10.168 11.989 ( -9.543 5.033 -5.838) 12.267 11.989 ( 9.543 5.033 -5.838) 12.267 12.412 ( -2.720 -6.511 4.186) 8.204 12.412 ( 2.720 -6.511 4.186) 8.204 12.872 ( -11.048 4.871 10.090) 15.735 12.872 ( 11.048 4.871 10.090) 15.735 13.829 ( -5.995 -23.329 3.543) 24.346 13.829 ( 5.995 -23.329 3.543) 24.346 15.120 ( -10.250 23.088 -4.246) 25.616 15.120 ( 10.250 23.088 -4.246) 25.616 15.966 ( -10.193 1.461 2.280) 10.547 15.966 ( 10.193 1.461 2.280) 10.547 23.445 ( -1.968 1.351 0.744) 2.501 23.445 ( 1.968 1.351 0.744) 2.501 23.833 ( -4.163 -2.864 -0.993) 5.149 23.833 ( 4.163 -2.864 -0.993) 5.149 24.600 ( -5.974 1.377 3.731) 7.176 24.600 ( 5.974 1.377 3.731) 7.176 25.210 ( -6.757 -6.189 -4.333) 10.136 25.210 ( 6.757 -6.189 -4.333) 10.136 26.588 ( -4.236 -1.291 6.499) 7.864 26.588 ( 4.236 -1.291 6.499) 7.864 26.982 ( -3.885 -6.919 4.183) 8.971 26.982 ( 3.885 -6.919 4.183) 8.971 27.502 ( -1.773 2.636 -3.224) 4.526 27.502 ( 1.773 2.636 -3.224) 4.526 27.713 ( -2.073 7.411 -2.042) 7.962 27.713 ( 2.073 7.411 -2.042) 7.962 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.000 18.131 18.113) 25.629 1.835 ( 0.000 24.768 15.811) 29.384 2.681 ( 0.000 21.410 25.351) 33.182 2.821 ( 0.000 3.554 18.746) 19.080 3.174 ( 0.000 5.429 10.305) 11.648 3.272 ( 0.000 -4.869 4.185) 6.420 3.374 ( 0.000 -10.671 10.907) 15.259 3.396 ( 0.000 -9.692 4.885) 10.854 3.830 ( 0.000 -2.801 0.336) 2.821 3.843 ( 0.000 -3.084 8.649) 9.183 4.176 ( 0.000 9.153 6.952) 11.494 4.223 ( 0.000 -5.047 -1.495) 5.263 4.350 ( 0.000 -0.842 1.810) 1.996 4.777 ( 0.000 -3.346 -4.828) 5.874 4.931 ( 0.000 -1.175 0.379) 1.235 5.078 ( 0.000 5.289 -1.553) 5.512 5.087 ( 0.000 -0.915 -0.669) 1.134 5.294 ( 0.000 10.980 -8.964) 14.175 5.519 ( 0.000 -0.276 5.810) 5.816 5.862 ( 0.000 15.957 -12.413) 20.217 5.938 ( 0.000 2.489 -8.342) 8.706 6.135 ( 0.000 -9.614 -5.846) 11.252 6.301 ( 0.000 -4.290 -2.922) 5.191 6.530 ( 0.000 -7.428 -2.822) 7.946 6.686 ( 0.000 0.550 -3.439) 3.482 6.918 ( 0.000 -10.286 -9.343) 13.896 7.209 ( 0.000 -11.608 -6.952) 13.531 7.840 ( 0.000 -10.410 -12.515) 16.278 8.128 ( 0.000 20.792 1.374) 20.837 8.484 ( 0.000 8.387 -0.256) 8.391 8.881 ( 0.000 -0.846 -8.448) 8.491 8.895 ( 0.000 2.803 5.939) 6.567 9.178 ( 0.000 7.488 8.605) 11.407 9.633 ( 0.000 -15.633 -10.420) 18.787 9.800 ( 0.000 -0.770 -5.496) 5.550 9.835 ( 0.000 3.522 -12.500) 12.987 10.540 ( 0.000 5.687 -2.418) 6.179 10.802 ( 0.000 -4.297 3.239) 5.381 10.886 ( 0.000 0.817 -7.577) 7.621 11.033 ( 0.000 -8.846 -2.011) 9.072 11.405 ( 0.000 -1.967 -0.728) 2.098 11.511 ( 0.000 -7.009 6.666) 9.673 11.564 ( 0.000 -1.110 3.610) 3.776 11.725 ( 0.000 -0.992 0.384) 1.064 11.831 ( 0.000 -8.451 0.658) 8.477 11.854 ( 0.000 -3.063 -4.629) 5.551 12.293 ( 0.000 -7.060 11.550) 13.537 12.427 ( 0.000 -2.103 14.731) 14.880 12.929 ( 0.000 4.817 -5.542) 7.343 13.145 ( 0.000 6.449 -2.397) 6.880 13.434 ( 0.000 1.366 4.876) 5.064 13.551 ( 0.000 -14.173 2.847) 14.456 15.327 ( 0.000 5.299 -8.198) 9.761 15.405 ( 0.000 3.386 6.052) 6.934 16.182 ( 0.000 12.437 -14.646) 19.214 16.285 ( 0.000 1.496 2.273) 2.721 23.428 ( 0.000 0.189 2.981) 2.987 23.493 ( 0.000 -1.573 0.867) 1.796 23.640 ( 0.000 -0.675 -0.164) 0.694 23.750 ( 0.000 -2.044 4.527) 4.967 24.291 ( 0.000 0.936 4.646) 4.740 24.415 ( 0.000 -1.422 9.455) 9.562 25.085 ( 0.000 -1.282 3.575) 3.798 25.336 ( 0.000 -5.098 -4.117) 6.553 26.464 ( 0.000 2.168 7.233) 7.551 26.634 ( 0.000 -3.578 1.840) 4.023 26.733 ( 0.000 -3.021 5.584) 6.349 26.992 ( 0.000 -8.836 7.106) 11.338 27.425 ( 0.000 4.196 -2.079) 4.683 27.497 ( 0.000 3.217 -5.203) 6.117 27.926 ( 0.000 6.054 -4.074) 7.297 28.153 ( 0.000 1.436 -9.121) 9.233 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 3.568 15.628 18.954) 24.824 1.903 ( 8.286 23.578 15.019) 29.157 2.704 ( -2.918 7.318 18.574) 20.176 2.859 ( 1.935 9.017 13.085) 16.008 3.062 ( -4.575 4.080 14.897) 16.109 3.214 ( -5.093 -1.895 6.271) 8.297 3.303 ( -5.151 -6.869 6.989) 11.071 3.486 ( 5.931 -13.690 9.579) 17.730 3.787 ( -5.064 -10.679 6.800) 13.635 3.880 ( 4.116 -0.907 -0.037) 4.215 4.204 ( -1.199 -2.613 -2.207) 3.624 4.235 ( 2.595 8.426 4.922) 10.097 4.351 ( 1.355 5.161 0.277) 5.343 4.693 ( -9.179 -7.719 -4.105) 12.676 5.001 ( -0.518 0.943 3.427) 3.592 5.074 ( 11.812 -3.552 0.265) 12.338 5.185 ( 7.279 13.285 -2.423) 15.341 5.344 ( 5.516 10.869 -7.526) 14.325 5.594 ( 9.114 -2.096 3.714) 10.062 5.913 ( 8.112 12.231 -8.786) 17.106 6.019 ( -1.979 9.092 -4.005) 10.130 6.118 ( -0.104 -4.172 -6.652) 7.853 6.300 ( 1.863 -6.272 -6.701) 9.366 6.531 ( -10.096 0.432 -2.459) 10.400 6.597 ( 1.571 -12.135 -1.455) 12.322 6.925 ( -0.386 -4.087 -9.121) 10.002 7.154 ( -4.758 -8.390 -9.689) 13.671 7.724 ( -10.679 -9.990 -9.443) 17.407 8.071 ( -5.592 20.064 2.849) 21.023 8.503 ( 1.931 5.322 -6.035) 8.274 8.933 ( 3.993 0.271 -4.486) 6.012 8.995 ( 10.534 -1.722 0.870) 10.709 9.186 ( 0.988 5.090 5.185) 7.332 9.587 ( -4.465 -17.553 -9.276) 20.349 9.770 ( -2.905 -1.959 -4.014) 5.328 9.879 ( 2.944 0.197 -10.275) 10.690 10.547 ( 1.014 5.715 -3.300) 6.677 10.772 ( -2.734 -5.075 -0.373) 5.777 10.866 ( -1.921 2.309 -4.814) 5.674 11.016 ( -3.026 -5.292 0.262) 6.102 11.374 ( -1.788 -1.699 -0.985) 2.656 11.499 ( -0.378 -6.769 5.442) 8.693 11.571 ( -0.207 0.013 2.829) 2.836 11.737 ( 2.227 -2.022 -0.446) 3.040 11.814 ( 0.797 -2.861 -0.545) 3.019 11.986 ( 9.913 -8.257 -1.786) 13.024 12.297 ( 0.626 -5.243 12.047) 13.154 12.429 ( -1.447 -1.424 9.147) 9.369 12.837 ( -6.342 7.472 -3.591) 10.438 13.126 ( -1.633 2.656 2.344) 3.901 13.463 ( 0.758 -2.943 3.855) 4.909 13.529 ( -2.190 -13.827 3.959) 14.548 15.268 ( -0.603 9.784 -3.756) 10.498 15.564 ( 11.521 1.024 0.674) 11.586 16.059 ( -11.679 13.431 -11.080) 20.966 16.260 ( -3.469 1.676 0.923) 3.962 23.433 ( 0.608 0.794 2.236) 2.449 23.543 ( 3.622 -1.230 -0.222) 3.832 23.611 ( -1.101 -0.104 0.569) 1.244 23.781 ( 1.913 -3.896 2.093) 4.819 24.349 ( 5.941 1.047 4.990) 7.829 24.488 ( 7.740 -1.512 7.720) 11.036 25.049 ( -3.710 -1.778 3.913) 5.678 25.303 ( -3.593 -5.516 -3.863) 7.633 26.480 ( 1.628 1.896 7.053) 7.483 26.637 ( 0.021 -2.734 2.496) 3.702 26.735 ( 0.496 -3.911 5.420) 6.702 26.964 ( -2.810 -8.446 6.780) 11.189 27.454 ( 3.018 4.243 -2.047) 5.595 27.523 ( 2.734 3.622 -5.357) 7.021 27.899 ( -2.810 5.497 -3.562) 7.127 28.089 ( -6.461 2.269 -8.014) 10.541 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 14.907 9.954 15.673) 23.811 2.114 ( 13.562 18.418 15.800) 27.799 2.578 ( -9.614 7.838 18.688) 22.430 2.649 ( -18.914 1.796 6.760) 20.166 3.065 ( -2.579 -12.699 3.740) 13.487 3.155 ( -5.650 -9.076 5.290) 11.928 3.332 ( 13.871 11.370 13.644) 22.535 3.589 ( 5.286 -14.164 10.587) 18.457 3.687 ( -4.849 -16.635 3.809) 17.741 3.949 ( 0.199 -0.157 -4.275) 4.283 4.121 ( -10.185 3.035 -0.178) 10.629 4.167 ( -3.055 -0.271 -2.042) 3.685 4.452 ( 6.790 11.285 1.938) 13.312 4.576 ( -2.380 1.946 2.408) 3.905 5.067 ( 7.946 -0.327 5.760) 9.820 5.280 ( 6.842 0.315 1.621) 7.039 5.348 ( 10.545 13.380 -3.609) 17.414 5.477 ( 7.913 8.079 -1.743) 11.442 5.766 ( 2.101 4.145 1.554) 4.900 5.956 ( -3.014 3.490 0.030) 4.611 6.040 ( 2.432 3.272 -6.806) 7.933 6.100 ( 6.977 2.226 -4.033) 8.361 6.277 ( -12.566 -0.280 -1.660) 12.678 6.395 ( 5.807 5.819 -12.168) 14.685 6.626 ( -2.912 -16.591 -2.215) 16.989 6.846 ( -8.425 6.909 -7.387) 13.164 7.095 ( 0.617 2.853 -9.699) 10.129 7.518 ( -12.646 -4.322 -5.471) 14.440 8.035 ( 6.263 6.806 -2.635) 9.617 8.491 ( -5.427 -3.965 -9.961) 12.016 9.014 ( 4.836 0.560 -7.085) 8.597 9.183 ( -2.173 -0.382 -0.001) 2.206 9.239 ( 14.363 -5.013 -1.278) 15.267 9.520 ( -1.536 -17.965 -4.660) 18.623 9.701 ( -3.889 -4.708 -2.720) 6.685 9.869 ( -5.251 -6.497 -4.559) 9.517 10.587 ( 3.219 5.859 -4.887) 8.281 10.716 ( -3.415 -0.776 -4.819) 5.957 10.835 ( -0.434 2.165 -0.069) 2.209 10.939 ( -4.196 -0.276 -0.137) 4.207 11.351 ( -0.602 -0.946 0.807) 1.382 11.464 ( -4.768 -0.297 -0.717) 4.831 11.603 ( 5.329 -5.852 5.649) 9.724 11.777 ( -0.653 -4.531 5.944) 7.503 11.886 ( 8.182 0.612 -5.444) 9.847 12.160 ( 8.307 -8.630 -1.298) 12.048 12.300 ( -9.459 0.695 -0.188) 9.487 12.321 ( -1.104 -0.822 6.480) 6.624 12.825 ( 5.269 5.817 5.336) 9.491 13.082 ( -3.624 1.490 5.929) 7.107 13.430 ( -2.984 -12.485 5.105) 13.815 13.476 ( -3.659 -12.629 6.603) 14.713 15.339 ( 7.996 14.346 -4.635) 17.065 15.776 ( 6.278 2.579 -3.063) 7.447 15.812 ( -9.348 12.983 -4.600) 16.646 16.156 ( -7.592 0.849 0.736) 7.675 23.452 ( 1.533 1.956 0.958) 2.663 23.534 ( -2.509 2.520 0.583) 3.603 23.672 ( 5.122 -3.701 -1.164) 6.425 23.792 ( -0.862 -4.820 0.103) 4.898 24.490 ( 8.911 1.848 5.163) 10.464 24.655 ( 7.534 0.458 3.215) 8.204 24.975 ( -2.327 -5.106 4.272) 7.053 25.203 ( -7.210 -6.740 -2.790) 10.257 26.521 ( 2.769 1.229 6.522) 7.191 26.622 ( -1.807 -0.795 4.254) 4.690 26.763 ( 2.582 -5.945 4.989) 8.179 26.899 ( -4.025 -7.824 6.113) 10.713 27.528 ( 4.779 4.959 -2.386) 7.289 27.588 ( 3.665 4.987 -5.763) 8.457 27.834 ( -3.591 3.855 -2.333) 5.762 27.945 ( -8.271 3.209 -6.021) 10.722 ======================= Grid point 115 (44/96) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -20.649 4.578 11.352) 24.004 2.260 ( 20.649 4.578 11.352) 24.004 2.370 ( -12.145 12.649 17.247) 24.596 2.370 ( 12.145 12.649 17.247) 24.596 3.061 ( -2.929 -14.113 3.221) 14.769 3.061 ( 2.929 -14.113 3.221) 14.769 3.569 ( -8.186 -7.856 4.581) 12.236 3.569 ( 8.186 -7.856 4.581) 12.236 3.757 ( -13.223 -2.486 4.502) 14.188 3.757 ( 13.223 -2.486 4.502) 14.188 4.105 ( -3.580 0.197 -1.419) 3.856 4.105 ( 3.580 0.197 -1.419) 3.856 4.540 ( -2.778 9.614 2.209) 10.248 4.540 ( 2.778 9.614 2.209) 10.248 5.250 ( -9.149 1.230 4.844) 10.425 5.250 ( 9.149 1.230 4.844) 10.425 5.523 ( -6.328 9.951 -3.249) 12.232 5.523 ( 6.328 9.951 -3.249) 12.232 5.803 ( -9.551 2.342 4.139) 10.670 5.803 ( 9.551 2.342 4.139) 10.670 6.123 ( -4.102 4.530 -3.307) 6.949 6.123 ( 4.102 4.530 -3.307) 6.949 6.344 ( -14.714 -2.882 -8.015) 17.002 6.344 ( 14.714 -2.882 -8.015) 17.002 6.648 ( -10.574 3.640 -9.519) 14.686 6.648 ( 10.574 3.640 -9.519) 14.686 7.249 ( -14.286 5.548 -3.040) 15.625 7.249 ( 14.286 5.548 -3.040) 15.625 8.280 ( -15.895 -6.164 -10.098) 19.815 8.280 ( 15.895 -6.164 -10.098) 19.815 9.108 ( -5.229 -3.083 -5.535) 8.215 9.108 ( 5.229 -3.083 -5.535) 8.215 9.461 ( -8.128 -8.294 -1.807) 11.753 9.461 ( 8.128 -8.294 -1.807) 11.753 9.721 ( -7.701 -9.675 -1.725) 12.486 9.721 ( 7.701 -9.675 -1.725) 12.486 10.650 ( -3.522 3.940 -4.543) 6.970 10.650 ( 3.522 3.940 -4.543) 6.970 10.869 ( -3.438 1.364 -0.948) 3.818 10.869 ( 3.438 1.364 -0.948) 3.818 11.375 ( -3.591 0.417 -0.291) 3.627 11.375 ( 3.591 0.417 -0.291) 3.627 11.714 ( -5.535 -6.546 6.730) 10.899 11.714 ( 5.535 -6.546 6.730) 10.899 12.077 ( -11.944 3.053 -5.328) 13.430 12.077 ( 11.944 3.053 -5.328) 13.430 12.285 ( -4.825 -5.015 1.807) 7.190 12.285 ( 4.825 -5.015 1.807) 7.190 12.969 ( -8.495 4.171 7.525) 12.091 12.969 ( 8.495 4.171 7.525) 12.091 13.415 ( -1.931 -15.129 7.129) 16.835 13.415 ( 1.931 -15.129 7.129) 16.835 15.540 ( -13.206 16.074 -5.909) 21.626 15.540 ( 13.206 16.074 -5.909) 21.626 15.990 ( -10.330 0.138 0.421) 10.339 15.990 ( 10.330 0.138 0.421) 10.339 23.488 ( -2.333 2.707 0.424) 3.599 23.488 ( 2.333 2.707 0.424) 3.599 23.752 ( -3.364 -4.532 -0.804) 5.701 23.752 ( 3.364 -4.532 -0.804) 5.701 24.648 ( -7.018 3.242 3.933) 8.674 24.648 ( 7.018 3.242 3.933) 8.674 25.049 ( -8.666 -8.356 0.150) 12.039 25.049 ( 8.666 -8.356 0.150) 12.039 26.576 ( -2.949 0.392 5.630) 6.367 26.576 ( 2.949 0.392 5.630) 6.367 26.824 ( -3.897 -7.141 5.366) 9.745 26.824 ( 3.897 -7.141 5.366) 9.745 27.608 ( -2.617 6.253 -4.188) 7.968 27.608 ( 2.617 6.253 -4.188) 7.968 27.822 ( -3.752 2.567 -3.546) 5.766 27.822 ( 3.752 2.567 -3.546) 5.766 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.000 20.800 7.950) 22.268 2.336 ( 0.000 16.237 6.989) 17.677 2.751 ( 0.000 -7.665 7.221) 10.531 2.982 ( 0.000 -14.623 14.708) 20.740 3.048 ( 0.000 8.353 7.534) 11.249 3.221 ( 0.000 4.273 16.889) 17.421 3.245 ( 0.000 -4.055 7.298) 8.349 3.396 ( 0.000 3.684 14.230) 14.699 3.597 ( 0.000 -10.091 13.120) 16.552 3.701 ( 0.000 -8.992 13.352) 16.098 4.186 ( 0.000 6.057 -0.068) 6.057 4.319 ( 0.000 -2.204 6.302) 6.676 4.515 ( 0.000 8.148 -3.294) 8.788 4.652 ( 0.000 -5.016 -7.896) 9.354 4.950 ( 0.000 4.768 -0.680) 4.817 5.053 ( 0.000 -3.000 -0.886) 3.128 5.367 ( 0.000 17.191 -4.079) 17.668 5.565 ( 0.000 12.556 -8.120) 14.953 5.615 ( 0.000 12.078 2.765) 12.391 5.746 ( 0.000 -14.389 -4.566) 15.096 5.880 ( 0.000 -12.780 -6.051) 14.140 6.060 ( 0.000 -26.789 -1.591) 26.836 6.200 ( 0.000 12.303 -12.235) 17.351 6.317 ( 0.000 0.941 -7.957) 8.012 6.698 ( 0.000 1.989 -2.424) 3.136 6.824 ( 0.000 -7.959 -7.479) 10.922 7.198 ( 0.000 12.226 -1.650) 12.337 7.531 ( 0.000 -16.478 -5.951) 17.519 8.557 ( 0.000 15.323 -1.352) 15.383 8.693 ( 0.000 4.184 0.882) 4.276 8.919 ( 0.000 9.154 -14.603) 17.235 8.993 ( 0.000 7.165 9.116) 11.595 9.179 ( 0.000 -6.499 10.375) 12.243 9.265 ( 0.000 -18.255 -13.313) 22.594 9.847 ( 0.000 3.497 -7.924) 8.662 9.883 ( 0.000 0.536 -9.254) 9.270 10.646 ( 0.000 3.397 -3.871) 5.150 10.701 ( 0.000 -3.723 -5.003) 6.236 10.875 ( 0.000 -3.975 -1.196) 4.151 10.876 ( 0.000 -1.768 0.431) 1.820 11.373 ( 0.000 -0.346 2.486) 2.510 11.404 ( 0.000 -3.217 5.418) 6.301 11.577 ( 0.000 2.504 -0.161) 2.509 11.670 ( 0.000 -6.082 -2.063) 6.422 11.721 ( 0.000 0.647 -2.073) 2.171 11.768 ( 0.000 -3.751 -5.449) 6.615 12.264 ( 0.000 2.714 15.650) 15.884 12.351 ( 0.000 -4.525 16.754) 17.354 13.033 ( 0.000 5.276 -2.885) 6.013 13.154 ( 0.000 -5.280 -0.882) 5.353 13.421 ( 0.000 0.828 0.185) 0.849 13.448 ( 0.000 -0.419 2.040) 2.082 15.418 ( 0.000 3.004 -7.648) 8.217 15.447 ( 0.000 0.385 -2.269) 2.301 16.320 ( 0.000 1.422 -0.002) 1.422 16.321 ( 0.000 2.113 -6.092) 6.448 23.437 ( 0.000 0.735 1.814) 1.957 23.460 ( 0.000 -1.431 1.097) 1.804 23.653 ( 0.000 1.677 1.528) 2.269 23.700 ( 0.000 -2.507 2.923) 3.851 24.323 ( 0.000 2.036 7.152) 7.436 24.372 ( 0.000 -2.422 9.094) 9.411 25.114 ( 0.000 3.655 0.854) 3.754 25.218 ( 0.000 -5.655 -2.078) 6.025 26.517 ( 0.000 2.553 5.729) 6.272 26.570 ( 0.000 -2.567 3.764) 4.556 26.725 ( 0.000 2.224 5.692) 6.111 26.823 ( 0.000 -6.683 6.783) 9.522 27.504 ( 0.000 2.875 -3.174) 4.283 27.535 ( 0.000 0.125 -4.445) 4.447 28.045 ( 0.000 5.072 -5.566) 7.530 28.133 ( 0.000 -2.894 -7.361) 7.909 ======================= Grid point 120 (46/96) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -0.882 19.752 10.522) 22.398 2.395 ( 5.827 13.537 6.437) 16.082 2.658 ( -6.646 -5.057 10.158) 13.150 2.960 ( -5.554 -1.295 7.291) 9.256 3.020 ( -2.730 -5.871 11.092) 12.843 3.133 ( -8.214 -8.504 7.161) 13.823 3.241 ( -3.651 3.395 12.665) 13.611 3.400 ( 1.484 0.687 14.525) 14.616 3.554 ( -3.242 -1.463 13.265) 13.734 3.750 ( 5.973 -10.208 10.204) 15.621 4.180 ( -1.635 3.519 -3.467) 5.204 4.292 ( -6.079 -4.858 -0.596) 7.804 4.568 ( 7.450 9.344 1.070) 11.998 4.656 ( 3.450 1.767 -1.604) 4.195 4.997 ( 4.321 -0.146 2.481) 4.984 5.023 ( 2.066 -1.260 -0.442) 2.460 5.544 ( 8.260 18.220 -4.291) 20.460 5.622 ( 8.348 13.761 -7.287) 17.668 5.650 ( 6.660 10.761 2.349) 12.872 5.861 ( -0.917 -11.855 -4.825) 12.832 5.926 ( 13.420 -13.055 -4.715) 19.307 6.082 ( 1.455 -25.024 -2.694) 25.211 6.289 ( 5.639 7.696 -10.456) 14.155 6.294 ( -0.055 3.233 -5.258) 6.173 6.564 ( -11.316 5.605 -3.098) 13.003 6.817 ( 1.255 -13.672 -10.981) 17.581 7.190 ( -0.819 13.476 -2.435) 13.719 7.493 ( -4.241 -13.051 -7.224) 15.508 8.505 ( -6.974 19.709 0.663) 20.917 8.720 ( -0.627 9.440 -3.302) 10.021 8.891 ( -1.249 -2.984 -7.167) 7.863 8.986 ( -1.019 0.403 3.736) 3.894 9.147 ( -1.460 -7.376 4.520) 8.773 9.210 ( -3.301 -14.273 -8.201) 16.789 9.799 ( -4.997 3.489 -6.513) 8.919 9.864 ( -2.987 -2.043 -7.001) 7.881 10.663 ( 2.144 4.337 -4.322) 6.488 10.704 ( 0.636 -0.891 -3.927) 4.076 10.873 ( -0.403 -0.991 -0.560) 1.208 10.902 ( 1.746 -4.551 -1.139) 5.006 11.350 ( -1.150 0.131 2.242) 2.523 11.390 ( -0.502 -3.561 5.303) 6.407 11.616 ( 0.932 3.951 -0.637) 4.109 11.695 ( 0.490 -2.348 -1.884) 3.050 11.758 ( 4.086 -1.370 -2.279) 4.875 11.807 ( 7.155 -6.802 -4.237) 10.743 12.287 ( 2.096 2.828 13.445) 13.898 12.367 ( 0.987 -3.982 12.776) 13.419 12.978 ( -4.748 6.130 -2.220) 8.065 13.104 ( -4.151 -5.087 0.803) 6.615 13.378 ( -4.412 0.236 1.925) 4.820 13.422 ( -3.479 -2.481 3.541) 5.550 15.448 ( 4.876 6.818 -5.726) 10.151 15.549 ( 8.818 -2.668 -3.860) 9.989 16.232 ( -8.151 4.423 -3.971) 10.088 16.281 ( -5.225 -0.343 -1.664) 5.494 23.458 ( 2.132 1.614 1.101) 2.891 23.501 ( 3.887 -2.309 0.153) 4.524 23.639 ( -1.275 2.432 1.378) 3.072 23.703 ( 0.042 -3.426 1.983) 3.959 24.384 ( 6.477 2.279 7.055) 9.845 24.440 ( 7.273 -2.757 8.405) 11.451 25.072 ( -4.531 3.589 1.335) 5.932 25.178 ( -4.360 -5.886 -1.572) 7.491 26.529 ( 1.308 2.545 5.614) 6.301 26.582 ( 1.342 -2.493 3.845) 4.775 26.713 ( -1.269 1.791 5.556) 5.974 26.803 ( -2.083 -6.322 6.482) 9.291 27.536 ( 3.411 3.005 -3.067) 5.484 27.567 ( 3.460 0.263 -4.422) 5.621 28.006 ( -4.110 4.541 -5.130) 7.990 28.083 ( -5.180 -2.355 -6.836) 8.895 ======================= Grid point 121 (47/96) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 7.610 15.319 11.992) 20.890 2.508 ( 4.213 -6.776 7.155) 10.717 2.591 ( 1.123 15.301 13.113) 20.182 2.753 ( -16.218 5.975 9.387) 19.668 2.886 ( -8.865 -2.844 6.134) 11.149 3.020 ( -7.281 -3.794 8.519) 11.831 3.152 ( -0.888 -14.946 9.574) 17.772 3.327 ( -6.867 -15.866 10.830) 20.400 3.651 ( 10.616 11.998 8.637) 18.201 3.875 ( 6.847 -7.987 3.561) 11.106 4.096 ( -10.643 -0.803 -4.005) 11.400 4.123 ( -6.386 -2.148 -4.532) 8.120 4.767 ( 11.127 13.479 4.545) 18.060 4.793 ( 8.792 11.343 4.225) 14.960 5.056 ( 5.130 -0.596 5.715) 7.703 5.156 ( 6.722 -8.756 0.839) 11.070 5.613 ( 3.937 10.183 -3.098) 11.348 5.715 ( 3.328 12.782 -4.299) 13.891 5.835 ( 0.279 -5.918 0.920) 5.996 5.906 ( 6.672 4.819 -4.875) 9.566 6.058 ( -1.633 -7.997 -3.197) 8.766 6.103 ( 4.740 -6.126 -4.710) 9.065 6.213 ( -6.802 -3.730 2.807) 8.250 6.262 ( -7.139 -6.458 -1.809) 9.795 6.615 ( 16.275 15.753 -15.943) 27.698 6.953 ( 11.671 -11.388 -15.065) 22.200 7.165 ( -2.291 11.192 -4.871) 12.419 7.373 ( -8.061 -6.742 -9.483) 14.155 8.359 ( -5.974 19.308 1.038) 20.238 8.573 ( -13.148 13.085 -5.300) 19.292 8.811 ( -5.690 -21.357 -2.008) 22.193 8.919 ( -7.593 -15.483 -1.155) 17.284 9.239 ( 10.868 0.153 -2.059) 11.063 9.281 ( 10.752 -3.837 -0.710) 11.438 9.671 ( -8.676 1.878 -4.137) 9.794 9.750 ( -9.372 -4.912 -3.508) 11.147 10.709 ( 2.328 4.734 -1.619) 5.518 10.742 ( 3.281 2.411 -4.904) 6.374 10.851 ( -1.931 0.096 -0.426) 1.980 10.904 ( -1.664 -3.183 -0.655) 3.651 11.356 ( 2.170 1.918 1.535) 3.278 11.431 ( 4.908 -4.359 2.728) 7.108 11.559 ( -5.123 3.281 -1.199) 6.201 11.665 ( -4.109 -5.694 1.231) 7.129 11.907 ( 11.358 2.048 -4.153) 12.266 11.993 ( 11.419 -6.229 -2.681) 13.280 12.300 ( -2.840 1.267 5.841) 6.618 12.331 ( -5.744 -0.853 2.603) 6.364 12.942 ( 2.734 5.471 3.775) 7.187 13.057 ( 0.391 -4.607 5.015) 6.821 13.263 ( -7.842 -1.084 4.474) 9.094 13.316 ( -7.597 -4.799 6.787) 11.261 15.593 ( 10.351 9.494 -5.046) 14.925 15.739 ( 11.305 -4.290 -3.310) 12.537 16.040 ( -12.069 7.415 -3.940) 14.703 16.143 ( -9.340 -2.493 -1.386) 9.766 23.506 ( 2.928 3.128 0.080) 4.285 23.577 ( 3.381 -2.179 -0.559) 4.061 23.611 ( -1.208 1.836 0.400) 2.234 23.692 ( -1.375 -4.462 0.545) 4.701 24.546 ( 10.567 3.381 6.149) 12.685 24.623 ( 11.788 -3.333 5.780) 13.546 24.952 ( -8.295 2.812 2.729) 9.174 25.058 ( -8.574 -6.478 0.016) 10.746 26.564 ( 2.359 2.598 5.353) 6.401 26.614 ( 1.763 -1.183 4.218) 4.723 26.683 ( -1.588 -0.320 5.267) 5.510 26.752 ( -3.229 -5.640 5.776) 8.695 27.625 ( 6.073 3.573 -3.025) 7.668 27.657 ( 6.113 0.918 -4.593) 7.701 27.904 ( -6.644 3.038 -4.048) 8.352 27.958 ( -7.916 -1.521 -5.721) 9.884 ======================= Grid point 122 (48/96) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -15.693 9.490 10.121) 20.946 2.406 ( 15.693 9.490 10.121) 20.946 2.598 ( -3.353 -1.377 12.965) 13.462 2.598 ( 3.353 -1.377 12.965) 13.462 2.858 ( -7.117 5.735 6.269) 11.084 2.858 ( 7.117 5.735 6.269) 11.084 3.212 ( -5.435 -19.999 8.790) 22.512 3.212 ( 5.435 -19.999 8.790) 22.512 3.861 ( -11.412 7.368 0.224) 13.585 3.861 ( 11.412 7.368 0.224) 13.585 4.015 ( -5.860 -6.695 -0.871) 8.940 4.015 ( 5.860 -6.695 -0.871) 8.940 4.881 ( -0.752 17.930 3.568) 18.297 4.881 ( 0.752 17.930 3.568) 18.297 5.177 ( -5.153 -8.641 5.727) 11.577 5.177 ( 5.153 -8.641 5.727) 11.577 5.716 ( -4.845 7.747 -2.333) 9.430 5.716 ( 4.845 7.747 -2.333) 9.430 5.834 ( -4.251 -1.422 -1.279) 4.661 5.834 ( 4.251 -1.422 -1.279) 4.661 6.116 ( -1.337 -1.909 -1.315) 2.676 6.116 ( 1.337 -1.909 -1.315) 2.676 6.182 ( -5.660 -6.574 -4.263) 9.666 6.182 ( 5.660 -6.574 -4.263) 9.666 6.927 ( -14.937 17.062 -13.401) 26.341 6.927 ( 14.937 17.062 -13.401) 26.341 7.233 ( -8.407 -9.167 -10.183) 16.075 7.233 ( 8.407 -9.167 -10.183) 16.075 8.360 ( -7.040 14.671 -2.500) 16.464 8.360 ( 7.040 14.671 -2.500) 16.464 8.789 ( -4.138 -22.125 -0.916) 22.527 8.789 ( 4.138 -22.125 -0.916) 22.527 9.441 ( -5.876 3.997 -2.351) 7.485 9.441 ( 5.876 3.997 -2.351) 7.485 9.555 ( -7.210 -6.480 -1.896) 9.878 9.555 ( 7.210 -6.480 -1.896) 9.878 10.756 ( -2.359 5.554 -1.824) 6.304 10.756 ( 2.359 5.554 -1.824) 6.304 10.855 ( -2.918 -3.021 -0.832) 4.282 10.855 ( 2.918 -3.021 -0.832) 4.282 11.433 ( -5.450 4.822 -0.757) 7.317 11.433 ( 5.450 4.822 -0.757) 7.317 11.564 ( -6.154 -7.128 2.170) 9.664 11.564 ( 6.154 -7.128 2.170) 9.664 12.132 ( -12.203 2.593 -2.928) 12.814 12.132 ( 12.203 2.593 -2.928) 12.814 12.197 ( -9.776 -3.562 -1.054) 10.458 12.197 ( 9.776 -3.562 -1.054) 10.458 13.057 ( -6.554 4.473 6.863) 10.491 13.057 ( 6.554 4.473 6.863) 10.491 13.179 ( -4.715 -7.730 7.545) 11.786 13.179 ( 4.715 -7.730 7.545) 11.786 15.808 ( -12.495 9.515 -4.410) 16.313 15.808 ( 12.495 9.515 -4.410) 16.313 15.951 ( -11.174 -4.109 -2.059) 12.082 15.951 ( 11.174 -4.109 -2.059) 12.082 23.559 ( -2.686 3.929 -0.042) 4.759 23.559 ( 2.686 3.929 -0.042) 4.759 23.652 ( -2.921 -4.712 -0.489) 5.565 23.652 ( 2.921 -4.712 -0.489) 5.565 24.740 ( -8.264 5.438 3.972) 10.660 24.740 ( 8.264 5.438 3.972) 10.660 24.878 ( -9.086 -7.454 3.044) 12.140 24.878 ( 9.086 -7.454 3.044) 12.140 26.609 ( -2.254 2.800 5.050) 6.199 26.609 ( 2.254 2.800 5.050) 6.199 26.693 ( -2.729 -5.101 5.050) 7.679 26.693 ( 2.729 -5.101 5.050) 7.679 27.737 ( -3.456 5.442 -4.138) 7.660 27.737 ( 3.456 5.442 -4.138) 7.660 27.823 ( -3.972 -2.301 -4.064) 6.130 27.823 ( 3.972 -2.301 -4.064) 6.130 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 0.000 32.996) 32.996 1.939 ( 0.000 0.000 27.748) 27.748 2.851 ( 0.000 0.000 40.757) 40.757 3.158 ( 0.000 0.000 6.981) 6.981 3.196 ( 0.000 0.000 -0.668) 0.668 3.365 ( 0.000 0.000 0.583) 0.583 3.461 ( 0.000 0.000 30.719) 30.719 3.687 ( 0.000 0.000 -0.014) 0.014 3.735 ( 0.000 0.000 -2.125) 2.125 3.874 ( 0.000 0.000 -6.633) 6.633 4.114 ( 0.000 0.000 7.619) 7.619 4.337 ( 0.000 0.000 -0.367) 0.367 4.743 ( 0.000 0.000 -6.613) 6.613 4.834 ( 0.000 0.000 -12.432) 12.432 4.888 ( 0.000 0.000 -8.003) 8.003 4.945 ( 0.000 0.000 0.760) 0.760 5.025 ( 0.000 0.000 6.050) 6.050 5.285 ( 0.000 0.000 1.372) 1.372 5.306 ( 0.000 0.000 -3.027) 3.027 5.470 ( 0.000 0.000 -7.979) 7.979 5.841 ( 0.000 0.000 13.429) 13.429 6.187 ( 0.000 0.000 -7.578) 7.578 6.408 ( 0.000 0.000 -5.734) 5.734 6.469 ( 0.000 0.000 2.681) 2.681 6.526 ( 0.000 0.000 -4.061) 4.061 6.701 ( 0.000 0.000 -14.789) 14.789 7.165 ( 0.000 0.000 -16.782) 16.782 7.455 ( 0.000 0.000 -29.827) 29.827 8.092 ( 0.000 0.000 0.189) 0.189 8.554 ( 0.000 0.000 -4.125) 4.125 8.710 ( 0.000 0.000 0.437) 0.437 8.800 ( 0.000 0.000 -0.980) 0.980 8.875 ( 0.000 0.000 -0.881) 0.881 9.375 ( 0.000 0.000 -15.830) 15.830 9.910 ( 0.000 0.000 -3.474) 3.474 9.999 ( 0.000 0.000 0.967) 0.967 10.370 ( 0.000 0.000 2.596) 2.596 10.546 ( 0.000 0.000 -5.921) 5.921 11.103 ( 0.000 0.000 7.296) 7.296 11.241 ( 0.000 0.000 0.202) 0.202 11.416 ( 0.000 0.000 -1.183) 1.183 11.739 ( 0.000 0.000 -3.022) 3.022 11.742 ( 0.000 0.000 -1.453) 1.453 11.851 ( 0.000 0.000 7.704) 7.704 11.956 ( 0.000 0.000 6.567) 6.567 12.326 ( 0.000 0.000 5.249) 5.249 12.439 ( 0.000 0.000 2.182) 2.182 12.565 ( 0.000 0.000 -6.648) 6.648 12.764 ( 0.000 0.000 -1.403) 1.403 12.871 ( 0.000 0.000 -0.316) 0.316 13.607 ( 0.000 0.000 11.955) 11.955 14.719 ( 0.000 0.000 8.125) 8.125 14.753 ( 0.000 0.000 -14.301) 14.301 15.090 ( 0.000 0.000 -3.489) 3.489 15.590 ( 0.000 0.000 12.718) 12.718 16.266 ( 0.000 0.000 -1.052) 1.052 23.522 ( 0.000 0.000 5.500) 5.500 23.553 ( 0.000 0.000 0.936) 0.936 23.633 ( 0.000 0.000 -2.859) 2.859 23.881 ( 0.000 0.000 1.616) 1.616 24.357 ( 0.000 0.000 5.613) 5.613 24.569 ( 0.000 0.000 4.982) 4.982 25.195 ( 0.000 0.000 -1.998) 1.998 25.338 ( 0.000 0.000 -5.915) 5.915 26.580 ( 0.000 0.000 7.461) 7.461 26.758 ( 0.000 0.000 0.982) 0.982 27.043 ( 0.000 0.000 2.458) 2.458 27.213 ( 0.000 0.000 -1.170) 1.170 27.303 ( 0.000 0.000 -0.076) 0.076 27.510 ( 0.000 0.000 4.240) 4.240 27.595 ( 0.000 0.000 -6.157) 6.157 27.840 ( 0.000 0.000 -4.408) 4.408 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.869 0.000 28.358) 28.371 2.023 ( 8.815 0.000 25.500) 26.981 3.016 ( -10.930 0.000 5.775) 12.362 3.061 ( 16.151 0.000 35.395) 38.906 3.229 ( 2.324 0.000 2.516) 3.425 3.317 ( -13.407 0.000 24.237) 27.698 3.441 ( 3.283 0.000 0.494) 3.320 3.700 ( 2.719 0.000 -2.352) 3.595 3.776 ( 3.400 0.000 0.675) 3.466 3.887 ( 1.033 0.000 -6.552) 6.633 4.159 ( 4.038 0.000 4.795) 6.268 4.396 ( 6.576 0.000 -0.699) 6.613 4.429 ( -18.663 0.000 -5.569) 19.476 4.812 ( -3.437 0.000 4.842) 5.937 4.856 ( 2.272 0.000 -11.234) 11.461 5.056 ( 2.138 0.000 3.995) 4.531 5.226 ( 5.197 0.000 4.774) 7.057 5.298 ( 0.731 0.000 -2.615) 2.715 5.371 ( 12.995 0.000 -7.756) 15.134 5.493 ( 5.773 0.000 -5.201) 7.770 5.889 ( 4.737 0.000 10.021) 11.084 6.121 ( -11.426 0.000 -7.312) 13.565 6.211 ( -14.857 0.000 -9.312) 17.534 6.384 ( -7.249 0.000 0.416) 7.261 6.559 ( 1.200 0.000 -1.881) 2.232 6.669 ( 3.760 0.000 -10.162) 10.835 7.305 ( -14.766 0.000 -24.568) 28.664 7.476 ( 21.976 0.000 -11.180) 24.657 7.920 ( -13.785 0.000 -1.723) 13.892 8.461 ( -5.795 0.000 -2.590) 6.347 8.753 ( 1.813 0.000 -4.152) 4.530 8.805 ( 0.187 0.000 -5.885) 5.888 9.024 ( 12.525 0.000 -3.472) 12.998 9.504 ( 11.821 0.000 -14.546) 18.744 9.930 ( 2.087 0.000 -4.142) 4.638 9.991 ( -0.888 0.000 0.559) 1.049 10.382 ( 1.241 0.000 2.561) 2.846 10.531 ( -1.568 0.000 -4.860) 5.107 11.074 ( -2.707 0.000 6.248) 6.809 11.180 ( -9.428 0.000 3.400) 10.022 11.389 ( -0.553 0.000 -2.033) 2.107 11.677 ( -4.461 0.000 -1.856) 4.832 11.712 ( -2.172 0.000 -2.110) 3.028 11.878 ( 2.172 0.000 6.756) 7.097 11.990 ( 3.203 0.000 6.955) 7.658 12.240 ( -12.363 0.000 -6.748) 14.085 12.452 ( 1.392 0.000 1.544) 2.079 12.562 ( 7.729 0.000 8.364) 11.388 12.733 ( -3.223 0.000 0.539) 3.268 13.022 ( 9.862 0.000 -0.890) 9.902 13.697 ( 9.103 0.000 8.427) 12.404 14.661 ( -9.429 0.000 -12.043) 15.295 14.699 ( -1.699 0.000 7.234) 7.431 15.017 ( -6.648 0.000 -1.745) 6.873 15.678 ( 8.166 0.000 9.918) 12.847 16.235 ( -3.321 0.000 -0.562) 3.368 23.500 ( -2.153 0.000 4.590) 5.070 23.558 ( -2.054 0.000 0.445) 2.102 23.630 ( 2.984 0.000 -1.292) 3.251 23.895 ( 0.513 0.000 -1.119) 1.231 24.425 ( 6.634 0.000 5.856) 8.849 24.612 ( 4.256 0.000 4.621) 6.282 25.172 ( -2.262 0.000 -1.912) 2.962 25.313 ( -2.619 0.000 -5.984) 6.532 26.606 ( 2.768 0.000 7.519) 8.013 26.768 ( 0.773 0.000 1.756) 1.918 27.048 ( 0.606 0.000 2.379) 2.455 27.180 ( -2.635 0.000 -0.048) 2.636 27.344 ( 3.493 0.000 -1.363) 3.749 27.507 ( -0.232 0.000 3.744) 3.751 27.581 ( -1.478 0.000 -5.915) 6.097 27.784 ( -5.590 0.000 -3.136) 6.410 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 17.632 0.000 16.468) 24.126 2.243 ( 14.321 0.000 20.232) 24.788 2.791 ( -13.562 0.000 9.382) 16.491 2.898 ( -25.720 0.000 14.370) 29.462 3.283 ( 3.530 0.000 2.291) 4.208 3.381 ( 11.925 0.000 19.984) 23.272 3.429 ( -3.344 0.000 1.594) 3.704 3.775 ( -7.154 0.000 -2.322) 7.521 3.789 ( 5.469 0.000 -5.887) 8.036 3.896 ( -0.374 0.000 -6.738) 6.748 4.185 ( 3.277 0.000 5.543) 6.439 4.314 ( 2.900 0.000 13.084) 13.402 4.570 ( 11.454 0.000 -1.884) 11.608 4.775 ( 1.320 0.000 7.594) 7.708 4.886 ( -1.373 0.000 -8.505) 8.615 5.082 ( 3.553 0.000 -0.043) 3.553 5.130 ( -10.453 0.000 4.857) 11.527 5.376 ( 4.739 0.000 -4.417) 6.478 5.626 ( 12.984 0.000 -0.775) 13.007 5.733 ( 15.989 0.000 -3.467) 16.361 5.780 ( -15.555 0.000 -5.177) 16.394 5.970 ( 1.903 0.000 1.289) 2.298 6.020 ( -11.120 0.000 -11.535) 16.022 6.225 ( -9.739 0.000 -0.485) 9.751 6.562 ( 1.055 0.000 -0.796) 1.322 6.825 ( 12.273 0.000 -1.845) 12.411 6.986 ( -18.169 0.000 -15.425) 23.834 7.458 ( -19.097 0.000 9.187) 21.192 8.050 ( 23.314 0.000 -20.220) 30.860 8.436 ( 3.694 0.000 -7.176) 8.071 8.703 ( -8.090 0.000 -11.312) 13.907 8.741 ( -7.240 0.000 -10.886) 13.073 9.318 ( 18.422 0.000 -3.442) 18.741 9.695 ( 5.830 0.000 -7.936) 9.847 9.967 ( -0.696 0.000 -4.773) 4.823 9.973 ( 1.180 0.000 -5.048) 5.184 10.412 ( 1.941 0.000 2.106) 2.864 10.494 ( -2.291 0.000 -2.176) 3.160 10.960 ( -10.558 0.000 4.834) 11.612 10.995 ( -6.136 0.000 3.853) 7.246 11.407 ( 2.805 0.000 0.710) 2.894 11.598 ( -4.817 0.000 0.254) 4.823 11.701 ( 1.752 0.000 -3.892) 4.268 11.943 ( 4.864 0.000 6.382) 8.024 11.986 ( -13.163 0.000 -7.651) 15.225 12.042 ( 1.567 0.000 6.858) 7.035 12.489 ( 2.809 0.000 0.690) 2.892 12.655 ( -5.007 0.000 2.065) 5.416 12.784 ( 14.010 0.000 10.877) 17.737 13.122 ( 0.011 0.000 3.580) 3.580 13.909 ( 13.252 0.000 2.542) 13.493 14.437 ( -14.089 0.000 -7.414) 15.921 14.688 ( 1.293 0.000 4.321) 4.511 14.883 ( -7.464 0.000 -0.269) 7.469 15.846 ( 9.461 0.000 6.217) 11.321 16.147 ( -6.188 0.000 0.886) 6.252 23.463 ( -1.365 0.000 2.854) 3.164 23.502 ( -2.981 0.000 1.638) 3.402 23.724 ( 5.839 0.000 -2.277) 6.267 23.881 ( -2.056 0.000 -2.998) 3.635 24.563 ( 7.589 0.000 5.882) 9.601 24.692 ( 2.993 0.000 4.060) 5.044 25.134 ( -0.859 0.000 -2.606) 2.744 25.247 ( -4.352 0.000 -5.792) 7.245 26.674 ( 4.172 0.000 7.328) 8.433 26.774 ( -0.403 0.000 3.823) 3.844 27.065 ( 1.224 0.000 2.132) 2.459 27.133 ( -2.419 0.000 0.991) 2.614 27.414 ( 3.909 0.000 -2.853) 4.839 27.511 ( 1.000 0.000 2.435) 2.633 27.542 ( -2.728 0.000 -5.222) 5.891 27.662 ( -6.896 0.000 -0.893) 6.954 ======================= Grid point 150 (52/96) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -28.324 0.000 9.633) 29.917 2.381 ( 28.324 0.000 9.633) 29.917 2.522 ( -15.405 0.000 14.401) 21.088 2.522 ( 15.405 0.000 14.401) 21.088 3.355 ( -4.188 0.000 1.922) 4.608 3.355 ( 4.188 0.000 1.922) 4.608 3.583 ( -11.008 0.000 5.922) 12.500 3.583 ( 11.008 0.000 5.922) 12.500 3.867 ( -2.842 0.000 -6.823) 7.391 3.867 ( 2.842 0.000 -6.823) 7.391 4.299 ( -5.254 0.000 12.734) 13.775 4.299 ( 5.254 0.000 12.734) 13.775 4.773 ( -9.587 0.000 -3.773) 10.303 4.773 ( 9.587 0.000 -3.773) 10.303 4.909 ( -11.978 0.000 7.675) 14.225 4.909 ( 11.978 0.000 7.675) 14.225 5.255 ( -13.468 0.000 -5.389) 14.506 5.255 ( 13.468 0.000 -5.389) 14.506 5.791 ( -12.015 0.000 -7.251) 14.033 5.791 ( 12.015 0.000 -7.251) 14.033 5.850 ( -9.226 0.000 3.651) 9.922 5.850 ( 9.226 0.000 3.651) 9.922 6.029 ( -11.060 0.000 -5.794) 12.486 6.029 ( 11.060 0.000 -5.794) 12.486 6.688 ( -12.889 0.000 -6.137) 14.276 6.688 ( 12.889 0.000 -6.137) 14.276 7.104 ( -17.791 0.000 4.901) 18.454 7.104 ( 17.791 0.000 4.901) 18.454 8.452 ( -18.685 0.000 -16.872) 25.175 8.452 ( 18.685 0.000 -16.872) 25.175 8.573 ( -9.768 0.000 -11.350) 14.974 8.573 ( 9.768 0.000 -11.350) 14.974 9.629 ( -12.793 0.000 -2.589) 13.053 9.629 ( 12.793 0.000 -2.589) 13.053 9.971 ( -1.283 0.000 -7.152) 7.266 9.971 ( 1.283 0.000 -7.152) 7.266 10.451 ( -2.271 0.000 0.561) 2.340 10.451 ( 2.271 0.000 0.561) 2.340 10.890 ( -3.008 0.000 3.298) 4.464 10.890 ( 3.008 0.000 3.298) 4.464 11.494 ( -5.994 0.000 2.108) 6.354 11.494 ( 5.994 0.000 2.108) 6.354 11.789 ( -7.866 0.000 -5.924) 9.847 11.789 ( 7.866 0.000 -5.924) 9.847 12.026 ( -3.271 0.000 6.397) 7.185 12.026 ( 3.271 0.000 6.397) 7.185 12.561 ( -4.849 0.000 1.266) 5.011 12.561 ( 4.849 0.000 1.266) 5.011 13.020 ( -10.352 0.000 8.635) 13.481 13.020 ( 10.352 0.000 8.635) 13.481 14.168 ( -14.705 0.000 -2.600) 14.933 14.168 ( 14.705 0.000 -2.600) 14.933 14.756 ( -5.836 0.000 1.269) 5.972 14.756 ( 5.836 0.000 1.269) 5.972 16.012 ( -8.330 0.000 3.198) 8.922 16.012 ( 8.330 0.000 3.198) 8.922 23.461 ( -1.235 0.000 2.060) 2.402 23.461 ( 1.235 0.000 2.060) 2.402 23.821 ( -4.439 0.000 -3.057) 5.390 23.821 ( 4.439 0.000 -3.057) 5.390 24.679 ( -4.299 0.000 5.098) 6.669 24.679 ( 4.299 0.000 5.098) 6.669 25.165 ( -3.901 0.000 -4.648) 6.068 25.165 ( 3.901 0.000 -4.648) 6.068 26.743 ( -2.991 0.000 6.116) 6.808 26.743 ( 2.991 0.000 6.116) 6.808 27.093 ( -1.848 0.000 1.687) 2.502 27.093 ( 1.848 0.000 1.687) 2.502 27.484 ( -3.575 0.000 -4.164) 5.488 27.484 ( 3.575 0.000 -4.164) 5.488 27.556 ( -4.180 0.000 0.844) 4.264 27.556 ( 4.180 0.000 0.844) 4.264 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.000 8.859 29.064) 30.385 1.985 ( 0.000 4.386 26.467) 26.828 2.933 ( 0.000 6.773 29.250) 30.024 3.128 ( 0.000 -4.526 4.070) 6.087 3.265 ( 0.000 9.222 14.309) 17.023 3.418 ( 0.000 4.609 9.214) 10.302 3.576 ( 0.000 3.712 10.732) 11.356 3.669 ( 0.000 -2.834 -2.959) 4.097 3.778 ( 0.000 3.710 3.059) 4.809 3.862 ( 0.000 3.183 1.589) 3.557 4.135 ( 0.000 3.270 5.796) 6.655 4.282 ( 0.000 -4.195 2.505) 4.886 4.659 ( 0.000 -16.573 -8.127) 18.458 4.707 ( 0.000 -1.300 -5.997) 6.137 4.893 ( 0.000 3.670 -11.320) 11.900 4.902 ( 0.000 -0.351 -2.998) 3.018 5.155 ( 0.000 -2.681 2.318) 3.544 5.159 ( 0.000 0.191 5.066) 5.069 5.418 ( 0.000 2.639 -8.024) 8.447 5.576 ( 0.000 12.828 -6.544) 14.401 5.749 ( 0.000 -6.685 9.478) 11.598 6.157 ( 0.000 -3.287 -4.987) 5.973 6.342 ( 0.000 -5.741 -5.345) 7.844 6.507 ( 0.000 3.305 2.585) 4.196 6.561 ( 0.000 2.645 -4.163) 4.933 6.727 ( 0.000 0.556 -15.410) 15.420 7.284 ( 0.000 -13.630 -21.591) 25.533 7.351 ( 0.000 13.880 -18.148) 22.847 8.058 ( 0.000 -1.468 2.384) 2.800 8.410 ( 0.000 -5.782 -5.060) 7.683 8.810 ( 0.000 0.733 0.011) 0.733 8.903 ( 0.000 2.598 -0.177) 2.604 8.967 ( 0.000 15.968 -0.945) 15.996 9.438 ( 0.000 5.212 -14.859) 15.747 9.786 ( 0.000 -10.817 -3.461) 11.358 9.870 ( 0.000 -9.647 -0.645) 9.669 10.425 ( 0.000 4.354 1.988) 4.786 10.643 ( 0.000 6.389 -5.814) 8.638 11.052 ( 0.000 -4.222 8.243) 9.262 11.181 ( 0.000 -5.618 0.076) 5.618 11.409 ( 0.000 -0.612 -1.000) 1.173 11.676 ( 0.000 -4.027 0.908) 4.128 11.710 ( 0.000 -2.817 -2.490) 3.759 11.843 ( 0.000 -7.697 4.453) 8.892 11.876 ( 0.000 -0.165 3.846) 3.850 12.113 ( 0.000 -13.343 3.596) 13.819 12.578 ( 0.000 7.722 1.062) 7.795 12.643 ( 0.000 -8.838 1.369) 8.943 12.686 ( 0.000 7.670 -0.519) 7.687 12.953 ( 0.000 6.486 -0.128) 6.487 13.579 ( 0.000 -2.397 9.426) 9.726 14.067 ( 0.000 -27.275 2.303) 27.372 15.127 ( 0.000 3.366 -3.107) 4.581 15.421 ( 0.000 27.804 -12.192) 30.360 15.584 ( 0.000 -0.130 12.558) 12.559 16.270 ( 0.000 0.321 -1.547) 1.580 23.517 ( 0.000 -0.576 5.089) 5.122 23.542 ( 0.000 -0.969 1.017) 1.405 23.625 ( 0.000 -0.447 -2.111) 2.158 23.860 ( 0.000 -1.923 1.251) 2.294 24.369 ( 0.000 1.182 5.926) 6.043 24.570 ( 0.000 -0.021 4.928) 4.928 25.172 ( 0.000 -1.938 -0.605) 2.031 25.313 ( 0.000 -2.225 -5.414) 5.853 26.590 ( 0.000 0.968 7.407) 7.470 26.734 ( 0.000 -1.980 1.798) 2.674 26.961 ( 0.000 -6.360 4.608) 7.854 27.242 ( 0.000 0.369 1.730) 1.769 27.321 ( 0.000 2.087 -0.921) 2.281 27.371 ( 0.000 -5.850 -2.370) 6.312 27.723 ( 0.000 6.696 -2.778) 7.249 27.911 ( 0.000 4.902 -5.988) 7.739 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.17 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.351 10.180 25.182) 27.164 2.068 ( 8.468 4.032 24.530) 26.261 2.965 ( -2.822 0.530 14.611) 14.890 3.076 ( -5.755 -4.703 7.587) 10.621 3.296 ( 6.870 10.526 25.262) 28.216 3.350 ( -6.885 0.455 6.736) 9.643 3.554 ( -3.036 2.387 7.364) 8.315 3.717 ( 3.002 2.695 0.111) 4.036 3.807 ( 3.762 1.918 -0.898) 4.317 3.893 ( 3.422 3.286 -2.112) 5.193 4.168 ( 2.626 2.112 7.111) 7.869 4.259 ( -10.155 -9.105 -3.111) 13.990 4.372 ( -4.718 -4.974 -2.734) 7.381 4.819 ( 3.512 0.744 0.061) 3.590 4.945 ( 4.480 6.229 -8.578) 11.509 5.006 ( -3.376 -9.034 -3.481) 10.253 5.139 ( 1.260 -0.126 4.489) 4.665 5.217 ( 13.787 -3.350 2.452) 14.398 5.498 ( 7.318 5.823 -7.115) 11.751 5.630 ( 4.003 12.415 -6.295) 14.484 5.807 ( 5.883 -5.306 5.852) 9.849 6.116 ( -3.770 -2.658 -5.280) 7.012 6.236 ( -11.508 0.869 -5.687) 12.866 6.428 ( -9.166 3.423 -1.802) 9.949 6.597 ( 3.272 3.394 -0.614) 4.754 6.689 ( 0.868 0.681 -12.212) 12.262 7.161 ( -12.030 -11.215 -18.073) 24.437 7.559 ( 17.865 3.659 -16.615) 24.670 7.885 ( -17.028 1.326 4.226) 17.595 8.377 ( -1.239 -5.314 -5.776) 7.946 8.794 ( -3.806 3.974 -4.365) 7.024 8.952 ( 4.540 8.377 -2.112) 9.760 9.041 ( 8.183 3.424 -3.283) 9.459 9.542 ( 9.074 2.951 -14.742) 17.560 9.792 ( 0.775 -11.963 -3.051) 12.370 9.878 ( 0.798 -8.410 -0.368) 8.456 10.431 ( 0.686 3.919 1.939) 4.426 10.619 ( -2.494 5.835 -5.146) 8.170 11.013 ( -3.174 -4.923 6.720) 8.914 11.153 ( -6.818 -2.556 3.912) 8.266 11.375 ( -0.474 -1.236 -2.015) 2.411 11.635 ( -4.657 -3.255 -1.042) 5.777 11.678 ( -0.529 -2.616 -1.543) 3.083 11.833 ( 0.095 -6.196 4.849) 7.868 11.923 ( 3.547 -2.336 3.600) 5.568 12.204 ( 6.923 -9.882 1.767) 12.194 12.404 ( -13.191 5.506 -2.862) 14.577 12.633 ( -2.440 -7.347 2.159) 8.037 12.716 ( 5.149 7.451 7.644) 11.852 13.074 ( 7.833 4.359 0.014) 8.964 13.645 ( 6.468 -4.425 6.899) 10.440 14.038 ( -2.974 -26.491 1.920) 26.726 15.058 ( -5.552 6.381 -0.626) 8.481 15.355 ( -6.768 26.161 -10.462) 28.977 15.675 ( 8.313 -0.121 9.335) 12.500 16.239 ( -3.328 0.300 -1.186) 3.546 23.496 ( -1.914 -0.376 4.061) 4.505 23.559 ( -0.651 0.136 0.795) 1.037 23.617 ( 2.004 -0.977 -1.152) 2.509 23.867 ( 0.132 -2.480 -0.887) 2.637 24.434 ( 6.427 0.975 6.040) 8.874 24.615 ( 4.524 0.200 4.507) 6.389 25.147 ( -2.461 -2.095 -0.466) 3.266 25.288 ( -2.664 -2.248 -5.349) 6.385 26.610 ( 2.082 0.450 7.294) 7.599 26.741 ( 0.576 -2.064 2.307) 3.149 26.970 ( 1.126 -6.276 4.602) 7.863 27.203 ( -3.217 -0.368 2.707) 4.220 27.356 ( 2.518 1.756 -2.981) 4.279 27.380 ( 1.207 -4.297 -1.639) 4.754 27.710 ( -1.352 6.545 -2.680) 7.201 27.860 ( -5.099 5.190 -4.832) 8.734 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 14.889 8.051 15.687) 23.078 2.277 ( 13.697 3.256 19.584) 24.120 2.794 ( -13.748 0.222 8.829) 16.340 2.856 ( -19.019 -1.564 12.923) 23.047 3.263 ( -0.240 -3.158 1.570) 3.535 3.434 ( -2.271 -0.330 6.417) 6.815 3.491 ( 3.966 4.895 13.784) 15.155 3.713 ( -3.769 -2.045 -7.472) 8.615 3.863 ( 2.606 2.954 -2.183) 4.504 3.960 ( -1.772 6.947 -1.183) 7.266 4.090 ( 2.625 -6.433 5.669) 8.968 4.223 ( 0.689 -4.825 11.127) 12.148 4.442 ( 7.524 -6.118 1.736) 9.852 4.787 ( -8.694 -11.614 1.021) 14.543 4.994 ( 7.922 11.975 0.640) 14.373 5.049 ( 5.683 7.178 -5.034) 10.448 5.223 ( 5.309 3.670 4.880) 8.091 5.429 ( 3.636 2.546 -2.667) 5.178 5.634 ( 10.242 3.845 -2.965) 11.335 5.752 ( 7.530 2.992 -3.166) 8.699 5.888 ( -1.993 4.629 -8.477) 9.862 6.000 ( -1.585 3.070 2.568) 4.305 6.077 ( -5.060 3.488 -11.250) 12.819 6.227 ( -12.093 1.033 -0.152) 12.138 6.577 ( -2.967 1.844 -3.162) 4.711 6.799 ( 1.832 -6.655 -7.110) 9.909 6.928 ( -4.967 -0.851 -6.275) 8.049 7.517 ( -21.178 2.472 5.233) 21.954 7.908 ( 19.023 -6.460 -13.419) 24.160 8.386 ( -0.352 -7.174 -11.803) 13.817 8.709 ( -2.685 7.460 -9.736) 12.556 8.942 ( -5.416 10.741 -8.478) 14.717 9.290 ( 16.752 -2.710 -3.165) 17.262 9.674 ( 2.747 -2.281 -8.015) 8.774 9.811 ( 1.416 -14.051 -5.341) 15.098 9.891 ( 0.020 -6.028 -3.012) 6.738 10.449 ( 1.346 3.104 1.542) 3.718 10.559 ( -3.786 4.479 -3.001) 6.588 10.948 ( -3.856 -3.285 5.999) 7.852 10.977 ( -8.581 1.315 3.991) 9.555 11.393 ( 1.512 -1.007 0.855) 2.008 11.534 ( -5.616 -4.529 0.236) 7.218 11.720 ( 4.843 1.373 -3.713) 6.255 11.876 ( 4.283 -5.682 3.105) 7.763 11.969 ( 0.491 -2.192 1.522) 2.713 12.120 ( -11.795 5.609 -0.400) 13.067 12.368 ( 5.851 -8.988 1.514) 10.831 12.569 ( -4.500 -6.962 2.560) 8.676 12.865 ( 10.446 5.328 9.366) 15.007 13.149 ( -0.468 2.223 4.025) 4.622 13.776 ( 6.806 -10.330 3.537) 12.867 13.969 ( -4.301 -23.960 1.224) 24.373 14.990 ( -0.634 12.940 -0.098) 12.956 15.200 ( -9.199 23.324 -6.513) 25.905 15.845 ( 9.550 -0.293 5.240) 10.897 16.150 ( -6.293 0.135 0.030) 6.295 23.466 ( -0.894 0.384 2.564) 2.742 23.514 ( -2.886 1.123 1.459) 3.423 23.701 ( 5.479 -2.017 -2.062) 6.192 23.850 ( -2.017 -2.741 -2.621) 4.295 24.572 ( 7.725 0.902 5.885) 9.753 24.702 ( 3.450 0.945 3.813) 5.228 25.103 ( -1.265 -2.743 -1.020) 3.188 25.220 ( -4.601 -2.493 -4.835) 7.124 26.660 ( 3.117 -0.844 6.765) 7.496 26.743 ( -0.636 -2.281 3.780) 4.461 27.006 ( 2.771 -5.594 4.470) 7.678 27.138 ( -3.753 -2.121 3.787) 5.739 27.393 ( 1.937 -0.294 -4.555) 4.958 27.417 ( 1.974 0.429 -2.273) 3.041 27.680 ( -1.550 6.211 -2.276) 6.794 27.750 ( -5.913 5.573 -2.598) 8.531 ======================= Grid point 157 (56/96) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -24.421 2.760 9.369) 26.302 2.407 ( 24.421 2.760 9.369) 26.302 2.547 ( -15.034 2.453 14.478) 21.016 2.547 ( 15.034 2.453 14.478) 21.016 3.320 ( -5.692 -4.384 1.294) 7.301 3.320 ( 5.692 -4.384 1.294) 7.301 3.613 ( -6.351 0.205 2.213) 6.728 3.613 ( 6.351 0.205 2.213) 6.728 3.909 ( -2.451 5.877 -1.485) 6.539 3.909 ( 2.451 5.877 -1.485) 6.539 4.185 ( -4.472 -7.188 10.577) 13.548 4.185 ( 4.472 -7.188 10.577) 13.548 4.610 ( -9.865 -9.845 2.064) 14.089 4.610 ( 9.865 -9.845 2.064) 14.089 5.114 ( -3.161 13.090 0.125) 13.467 5.114 ( 3.161 13.090 0.125) 13.467 5.339 ( -10.018 6.063 -1.063) 11.758 5.339 ( 10.018 6.063 -1.063) 11.758 5.788 ( -1.020 3.517 -3.297) 4.927 5.788 ( 1.020 3.517 -3.297) 4.927 5.965 ( -8.772 2.782 0.455) 9.214 5.965 ( 8.772 2.782 0.455) 9.214 6.040 ( -5.123 4.220 -9.684) 11.740 6.040 ( 5.123 4.220 -9.684) 11.740 6.616 ( -9.043 -6.169 -5.282) 12.154 6.616 ( 9.043 -6.169 -5.282) 12.154 7.148 ( -18.150 3.707 4.085) 18.969 7.148 ( 18.150 3.707 4.085) 18.969 8.233 ( -15.155 -10.994 -13.597) 23.139 8.233 ( 15.155 -10.994 -13.597) 23.139 8.791 ( -9.343 11.322 -12.107) 19.028 8.791 ( 9.343 11.322 -12.107) 19.028 9.578 ( -12.422 -4.989 -2.518) 13.621 9.578 ( 12.422 -4.989 -2.518) 13.621 9.860 ( -3.052 -9.577 -6.305) 11.866 9.860 ( 3.052 -9.577 -6.305) 11.866 10.491 ( -3.288 3.348 -0.328) 4.704 10.491 ( 3.288 3.348 -0.328) 4.704 10.900 ( -0.589 1.083 4.384) 4.554 10.900 ( 0.589 1.083 4.384) 4.554 11.441 ( -4.069 -3.420 1.952) 5.662 11.441 ( 4.069 -3.420 1.952) 5.662 11.850 ( -8.370 3.990 -6.792) 11.494 11.850 ( 8.370 3.990 -6.792) 11.494 11.986 ( -3.972 -3.662 6.599) 8.528 11.986 ( 3.972 -3.662 6.599) 8.528 12.474 ( -5.618 -7.211 1.474) 9.259 12.474 ( 5.618 -7.211 1.474) 9.259 13.056 ( -8.909 2.813 7.938) 12.259 13.056 ( 8.909 2.813 7.938) 12.259 13.883 ( -5.063 -18.267 1.754) 19.037 13.883 ( 5.063 -18.267 1.754) 19.037 15.048 ( -6.490 19.198 -2.761) 20.452 15.048 ( 6.490 19.198 -2.761) 20.452 16.013 ( -8.470 -0.151 2.180) 8.748 16.013 ( 8.470 -0.151 2.180) 8.748 23.472 ( -1.469 0.991 1.797) 2.524 23.472 ( 1.469 0.991 1.797) 2.524 23.793 ( -4.195 -2.522 -2.778) 5.628 23.793 ( 4.195 -2.522 -2.778) 5.628 24.692 ( -4.487 1.288 4.935) 6.793 24.692 ( 4.487 1.288 4.935) 6.793 25.132 ( -4.148 -2.995 -3.305) 6.091 25.132 ( 4.148 -2.995 -3.305) 6.091 26.714 ( -2.454 -2.024 5.535) 6.384 26.714 ( 2.454 -2.024 5.535) 6.384 27.068 ( -3.785 -4.070 4.266) 7.007 27.068 ( 3.785 -4.070 4.266) 7.007 27.426 ( -1.121 0.853 -4.170) 4.401 27.426 ( 1.121 0.853 -4.170) 4.401 27.675 ( -1.701 5.804 -1.558) 6.246 27.675 ( 1.701 5.804 -1.558) 6.246 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 9.228 21.098) 23.028 2.207 ( 0.000 15.757 20.197) 25.616 3.031 ( 0.000 -5.201 4.139) 6.647 3.081 ( 0.000 6.193 12.683) 14.114 3.442 ( 0.000 -6.294 2.488) 6.768 3.485 ( 0.000 3.500 16.355) 16.725 3.542 ( 0.000 1.362 14.478) 14.542 3.552 ( 0.000 -1.456 6.902) 7.054 3.881 ( 0.000 5.987 6.282) 8.678 4.022 ( 0.000 1.836 9.114) 9.297 4.189 ( 0.000 -9.381 -0.268) 9.385 4.300 ( 0.000 11.751 4.860) 12.717 4.357 ( 0.000 0.408 -2.588) 2.620 4.625 ( 0.000 -8.782 -8.293) 12.079 4.976 ( 0.000 5.979 -0.296) 5.986 4.995 ( 0.000 3.801 -8.959) 9.731 5.013 ( 0.000 -4.467 -2.568) 5.152 5.171 ( 0.000 5.843 -2.064) 6.197 5.586 ( 0.000 -0.972 -4.585) 4.687 5.671 ( 0.000 8.524 0.366) 8.532 5.745 ( 0.000 0.781 -10.247) 10.277 6.058 ( 0.000 -5.327 -0.979) 5.416 6.215 ( 0.000 -4.412 -3.907) 5.894 6.472 ( 0.000 -14.874 -5.812) 15.969 6.609 ( 0.000 1.645 -3.711) 4.059 6.694 ( 0.000 1.733 -8.741) 8.911 7.060 ( 0.000 -4.126 -7.713) 8.747 7.518 ( 0.000 -1.701 -17.935) 18.015 8.181 ( 0.000 14.864 3.440) 15.257 8.395 ( 0.000 5.263 -7.207) 8.924 8.813 ( 0.000 -0.918 1.634) 1.874 8.987 ( 0.000 5.447 2.114) 5.843 9.293 ( 0.000 13.176 0.620) 13.190 9.453 ( 0.000 -15.081 -7.987) 17.065 9.589 ( 0.000 3.459 -9.003) 9.644 9.672 ( 0.000 -7.796 -4.701) 9.104 10.524 ( 0.000 4.410 0.483) 4.436 10.708 ( 0.000 -1.981 -4.846) 5.235 10.972 ( 0.000 -2.226 6.467) 6.839 11.021 ( 0.000 -8.398 0.632) 8.422 11.398 ( 0.000 -0.071 -0.104) 0.126 11.606 ( 0.000 -2.488 1.236) 2.778 11.617 ( 0.000 -5.310 1.777) 5.599 11.714 ( 0.000 -4.523 0.047) 4.523 11.794 ( 0.000 -6.798 -0.330) 6.806 11.838 ( 0.000 -11.461 0.221) 11.463 12.516 ( 0.000 -1.306 8.966) 9.060 12.689 ( 0.000 1.930 9.303) 9.501 12.842 ( 0.000 7.193 -1.561) 7.360 13.101 ( 0.000 6.248 -1.721) 6.481 13.518 ( 0.000 -3.044 3.498) 4.637 13.602 ( 0.000 -16.575 1.947) 16.689 15.223 ( 0.000 5.394 -1.963) 5.740 15.538 ( 0.000 -2.705 5.824) 6.422 15.910 ( 0.000 16.683 -10.869) 19.911 16.274 ( 0.000 -0.103 -3.151) 3.152 23.498 ( 0.000 -1.082 3.746) 3.899 23.516 ( 0.000 -1.380 1.277) 1.880 23.630 ( 0.000 1.055 -0.564) 1.196 23.804 ( 0.000 -3.197 0.596) 3.252 24.408 ( 0.000 2.408 6.489) 6.921 24.562 ( 0.000 -0.849 5.136) 5.206 25.132 ( 0.000 -1.356 1.197) 1.809 25.251 ( 0.000 -3.407 -3.919) 5.192 26.621 ( 0.000 1.782 7.454) 7.664 26.691 ( 0.000 -1.788 3.362) 3.808 26.841 ( 0.000 -3.822 5.047) 6.331 27.115 ( 0.000 -8.839 4.436) 9.890 27.383 ( 0.000 3.250 -1.923) 3.777 27.388 ( 0.000 3.616 -5.030) 6.195 27.848 ( 0.000 5.066 -3.262) 6.026 27.990 ( 0.000 2.046 -6.746) 7.050 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.17 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 1.249 10.506 21.374) 23.849 2.224 ( 5.934 14.353 16.699) 22.805 2.974 ( -4.968 -5.218 5.702) 9.188 3.026 ( -7.051 3.986 8.996) 12.105 3.334 ( -11.415 -3.061 7.012) 13.742 3.397 ( -4.373 -6.489 3.904) 8.745 3.535 ( 2.829 5.076 16.470) 17.465 3.711 ( 7.587 -3.852 13.472) 15.934 3.854 ( -13.500 -5.274 -0.676) 14.509 3.913 ( 1.702 2.243 3.495) 4.488 4.177 ( -1.080 -2.235 1.953) 3.159 4.317 ( -2.896 7.507 1.960) 8.281 4.354 ( 4.987 11.873 2.431) 13.105 4.624 ( -2.119 -12.003 -2.809) 12.508 5.022 ( 4.448 3.401 -3.033) 6.368 5.103 ( 12.037 0.141 -3.430) 12.517 5.134 ( 11.174 5.090 0.978) 12.317 5.193 ( 4.985 8.714 -4.242) 10.898 5.640 ( 5.730 -3.338 -2.794) 7.195 5.741 ( 6.990 10.099 -3.696) 12.826 5.873 ( 8.380 5.631 -10.338) 14.450 6.022 ( -2.149 -5.262 -2.055) 6.044 6.189 ( -3.156 -4.046 -3.178) 6.035 6.476 ( -6.757 -3.184 -3.699) 8.335 6.524 ( -0.756 -11.845 -6.104) 13.346 6.710 ( 0.666 2.872 -8.287) 8.796 7.003 ( -4.797 -0.907 -5.739) 7.535 7.481 ( -4.737 -7.626 -13.892) 16.540 8.140 ( -4.419 18.726 3.507) 19.557 8.334 ( -4.098 3.445 -8.511) 10.055 8.885 ( 2.729 3.497 0.092) 4.437 8.990 ( 4.089 -0.776 -2.249) 4.731 9.249 ( -3.609 10.631 -0.571) 11.242 9.426 ( -2.072 -18.011 -7.478) 19.611 9.623 ( 0.685 -1.163 -8.124) 8.236 9.716 ( 4.814 -4.239 -3.706) 7.407 10.523 ( -0.036 4.150 0.390) 4.169 10.679 ( -2.626 -1.202 -4.011) 4.943 10.928 ( -2.309 -1.745 4.848) 5.646 11.066 ( 0.242 -5.729 4.274) 7.152 11.354 ( -1.514 -0.033 -1.292) 1.991 11.565 ( -4.661 -2.720 -0.508) 5.421 11.628 ( 2.780 -2.165 2.013) 4.058 11.693 ( -0.239 -5.526 0.596) 5.563 11.832 ( 3.145 -6.503 0.691) 7.256 11.967 ( 9.938 -11.495 -0.358) 15.200 12.484 ( -4.691 -0.008 5.131) 6.952 12.555 ( -11.874 2.046 3.088) 12.438 12.853 ( 3.688 5.798 5.615) 8.874 13.172 ( 4.304 3.876 1.984) 6.122 13.517 ( -0.336 -8.843 2.251) 9.131 13.608 ( 0.423 -12.134 3.110) 12.533 15.215 ( 0.397 8.157 -0.827) 8.209 15.612 ( 6.332 -1.838 1.474) 6.756 15.846 ( -6.050 15.640 -7.447) 18.349 16.240 ( -3.691 -0.427 -3.005) 4.779 23.487 ( -0.778 -0.319 2.968) 3.085 23.550 ( 3.014 -1.367 0.844) 3.416 23.611 ( -1.518 0.971 -0.331) 1.832 23.799 ( -0.638 -3.662 -0.547) 3.757 24.468 ( 6.075 2.203 6.390) 9.088 24.614 ( 5.278 -0.519 4.634) 7.043 25.102 ( -3.063 -1.595 1.512) 3.770 25.225 ( -2.855 -3.516 -3.587) 5.777 26.630 ( 0.964 1.365 7.056) 7.251 26.699 ( 0.719 -1.559 3.367) 3.780 26.844 ( 0.534 -4.481 5.211) 6.893 27.083 ( -3.151 -8.373 4.436) 9.985 27.404 ( 2.425 3.982 -3.734) 5.973 27.423 ( 3.207 3.529 -3.166) 5.724 27.828 ( -2.105 4.567 -3.112) 5.914 27.945 ( -4.646 2.290 -5.963) 7.899 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 8.982 10.498 15.837) 21.017 2.408 ( 12.660 10.674 13.647) 21.458 2.791 ( -14.398 -0.208 6.851) 15.946 2.893 ( -8.997 4.152 12.074) 15.619 3.141 ( -7.110 -7.683 2.117) 10.680 3.275 ( -8.985 -10.306 5.572) 14.765 3.566 ( -0.009 -4.747 2.439) 5.337 3.618 ( -7.186 -5.378 -5.979) 10.784 3.840 ( 5.831 -3.793 14.240) 15.848 3.968 ( 1.828 -0.818 6.313) 6.623 4.149 ( -1.257 2.089 4.932) 5.501 4.241 ( -4.723 0.189 8.482) 9.710 4.456 ( 5.287 11.942 -1.721) 13.172 4.584 ( -2.098 1.105 -1.691) 2.912 5.169 ( 10.807 2.711 2.144) 11.346 5.270 ( 9.195 11.347 -1.860) 14.723 5.345 ( 7.871 4.294 3.271) 9.544 5.415 ( 13.338 1.767 -4.318) 14.130 5.771 ( 4.855 0.564 -1.097) 5.009 5.852 ( 4.725 11.733 -9.420) 15.770 5.963 ( 6.845 1.635 -7.510) 10.292 5.988 ( -3.740 -2.056 -1.222) 4.440 6.160 ( 0.906 2.427 -8.141) 8.543 6.260 ( -12.560 0.993 -0.663) 12.617 6.525 ( -4.184 -15.685 -5.962) 17.294 6.664 ( -7.389 5.725 -8.553) 12.670 6.991 ( 6.434 3.534 -1.666) 7.528 7.367 ( -6.599 -13.044 -8.850) 17.089 8.046 ( -3.287 16.369 2.843) 16.936 8.269 ( -5.222 -0.697 -10.454) 11.707 8.862 ( 0.540 4.580 -7.479) 8.787 9.145 ( -8.173 6.039 -4.943) 11.300 9.196 ( 13.561 -5.745 -2.396) 14.921 9.435 ( 3.522 -18.493 -4.142) 19.276 9.592 ( -3.173 -5.308 -6.083) 8.675 9.761 ( -2.174 -5.864 -4.730) 7.841 10.536 ( 1.917 5.105 -0.098) 5.454 10.632 ( -2.293 2.645 -2.223) 4.147 10.902 ( -0.294 -0.740 5.186) 5.246 11.003 ( -4.971 0.196 5.460) 7.387 11.370 ( 1.238 -0.992 0.445) 1.647 11.467 ( -5.302 -0.773 -0.111) 5.360 11.712 ( 5.783 -8.241 4.408) 10.991 11.758 ( 7.751 1.257 -5.418) 9.540 11.869 ( 0.378 -7.350 2.090) 7.650 12.142 ( 8.273 -9.682 -1.027) 12.777 12.248 ( -15.178 3.797 -1.435) 15.711 12.434 ( -5.520 -4.396 2.606) 7.522 12.969 ( 8.250 4.475 8.262) 12.504 13.204 ( -1.252 2.602 5.653) 6.348 13.513 ( 0.407 -13.894 3.437) 14.319 13.596 ( -2.017 -10.300 4.509) 11.423 15.273 ( 6.127 13.036 -1.689) 14.503 15.618 ( -8.563 14.667 -8.641) 19.055 15.829 ( 7.254 -0.733 2.780) 7.803 16.141 ( -7.014 -1.327 -2.123) 7.447 23.481 ( 0.357 1.104 1.819) 2.157 23.549 ( -2.562 2.146 0.913) 3.464 23.644 ( 4.407 -3.134 -1.446) 5.598 23.775 ( -2.090 -4.096 -1.814) 4.943 24.606 ( 8.178 2.320 5.857) 10.323 24.727 ( 5.522 1.109 3.431) 6.595 25.035 ( -3.221 -3.096 1.802) 4.817 25.148 ( -5.308 -4.023 -2.492) 7.111 26.655 ( 1.659 0.488 6.078) 6.319 26.705 ( -0.345 -0.837 3.791) 3.898 26.870 ( 2.425 -6.121 5.256) 8.424 27.011 ( -4.335 -7.860 4.605) 10.088 27.466 ( 4.032 5.542 -4.017) 7.944 27.489 ( 3.499 4.622 -3.227) 6.634 27.779 ( -2.766 3.123 -2.725) 4.983 27.838 ( -6.183 2.348 -4.232) 7.852 ======================= Grid point 164 (60/96) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -16.663 4.779 10.870) 20.461 2.491 ( 16.663 4.779 10.870) 20.461 2.662 ( -14.278 9.436 10.825) 20.250 2.662 ( 14.278 9.436 10.825) 20.250 3.129 ( -4.936 -12.666 3.529) 14.045 3.129 ( 4.936 -12.666 3.529) 14.045 3.563 ( -0.897 -6.157 -4.488) 7.672 3.563 ( 0.897 -6.157 -4.488) 7.672 3.938 ( -4.464 -3.618 11.170) 12.561 3.938 ( 4.464 -3.618 11.170) 12.561 4.168 ( -3.042 0.529 7.987) 8.563 4.168 ( 3.042 0.529 7.987) 8.563 4.535 ( -3.371 8.992 -2.615) 9.953 4.535 ( 3.371 8.992 -2.615) 9.953 5.354 ( -5.292 6.013 3.701) 8.823 5.354 ( 5.292 6.013 3.701) 8.823 5.454 ( -6.702 6.218 -2.284) 9.423 5.454 ( 6.702 6.218 -2.284) 9.423 5.871 ( -8.978 -0.713 1.038) 9.066 5.871 ( 8.978 -0.713 1.038) 9.066 5.998 ( -7.822 5.257 -10.159) 13.858 5.998 ( 7.822 5.257 -10.159) 13.858 6.162 ( -3.748 3.495 -6.208) 8.050 6.162 ( 3.748 3.495 -6.208) 8.050 6.488 ( -6.347 -2.564 -4.871) 8.401 6.488 ( 6.347 -2.564 -4.871) 8.401 7.196 ( -12.465 -2.036 -3.235) 13.038 7.196 ( 12.465 -2.036 -3.235) 13.038 8.111 ( -9.404 2.215 -5.643) 11.189 8.111 ( 9.404 2.215 -5.643) 11.189 8.968 ( -9.561 3.118 -8.504) 13.170 8.968 ( 9.561 3.118 -8.504) 13.170 9.411 ( -8.493 -9.544 -2.424) 13.004 9.411 ( 8.493 -9.544 -2.424) 13.004 9.638 ( -8.816 -9.434 -5.526) 14.045 9.638 ( 8.816 -9.434 -5.526) 14.045 10.586 ( -2.896 5.764 -0.963) 6.523 10.586 ( 2.896 5.764 -0.963) 6.523 10.927 ( -3.001 0.699 5.469) 6.278 10.927 ( 3.001 0.699 5.469) 6.278 11.394 ( -2.296 -0.531 1.151) 2.622 11.394 ( 2.296 -0.531 1.151) 2.622 11.817 ( -4.441 -8.499 0.842) 9.627 11.817 ( 4.441 -8.499 0.842) 9.627 11.968 ( -13.132 3.437 -2.142) 13.742 11.968 ( 13.132 3.437 -2.142) 13.742 12.306 ( -8.125 -7.724 -0.168) 11.212 12.306 ( 8.125 -7.724 -0.168) 11.212 13.122 ( -7.268 3.370 7.467) 10.951 13.122 ( 7.268 3.370 7.467) 10.951 13.545 ( -2.866 -12.904 5.143) 14.184 13.545 ( 2.866 -12.904 5.143) 14.184 15.429 ( -10.309 16.018 -4.719) 19.624 15.429 ( 10.309 16.018 -4.719) 19.624 15.991 ( -9.003 -2.307 -0.192) 9.296 15.991 ( 9.003 -2.307 -0.192) 9.296 23.504 ( -2.033 2.051 1.064) 3.078 23.504 ( 2.033 2.051 1.064) 3.078 23.722 ( -3.682 -3.957 -2.045) 5.779 23.722 ( 3.682 -3.957 -2.045) 5.779 24.738 ( -4.885 3.060 4.516) 7.323 24.738 ( 4.885 3.060 4.516) 7.323 25.046 ( -4.688 -4.927 -0.379) 6.812 25.046 ( 4.688 -4.927 -0.379) 6.812 26.686 ( -1.584 -0.242 4.877) 5.133 26.686 ( 1.584 -0.242 4.877) 5.133 26.932 ( -4.096 -7.302 4.913) 9.708 26.932 ( 4.096 -7.302 4.913) 9.708 27.522 ( -0.856 6.498 -3.988) 7.672 27.522 ( 0.856 6.498 -3.988) 7.672 27.757 ( -1.520 1.687 -2.697) 3.526 27.757 ( 1.520 1.687 -2.697) 3.526 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 11.572 12.351) 16.924 2.492 ( 0.000 5.095 8.718) 10.098 2.946 ( 0.000 2.622 11.393) 11.691 3.163 ( 0.000 -3.713 6.297) 7.311 3.261 ( 0.000 -7.902 8.999) 11.976 3.310 ( 0.000 -4.868 1.489) 5.091 3.620 ( 0.000 5.713 17.118) 18.046 3.728 ( 0.000 3.847 17.049) 17.478 3.862 ( 0.000 -5.938 9.543) 11.239 3.945 ( 0.000 -6.025 9.300) 11.081 4.111 ( 0.000 9.642 -3.373) 10.215 4.364 ( 0.000 -12.848 -2.530) 13.094 4.511 ( 0.000 7.840 1.884) 8.063 4.580 ( 0.000 5.151 2.783) 5.855 4.938 ( 0.000 2.134 -0.392) 2.170 5.008 ( 0.000 -1.851 -3.330) 3.810 5.239 ( 0.000 13.410 -8.263) 15.751 5.377 ( 0.000 8.002 -9.827) 12.673 5.584 ( 0.000 3.939 -8.029) 8.943 5.617 ( 0.000 -7.891 -8.317) 11.465 5.779 ( 0.000 -2.105 -1.343) 2.497 6.010 ( 0.000 -21.481 -2.511) 21.627 6.049 ( 0.000 6.682 -1.796) 6.919 6.172 ( 0.000 -3.387 -5.172) 6.183 6.637 ( 0.000 1.527 -3.305) 3.641 6.694 ( 0.000 -3.184 -5.449) 6.311 7.131 ( 0.000 9.487 -4.906) 10.681 7.361 ( 0.000 -10.614 -10.618) 15.013 8.534 ( 0.000 14.622 -0.692) 14.638 8.631 ( 0.000 15.954 -9.359) 18.497 8.747 ( 0.000 -5.784 1.179) 5.903 9.012 ( 0.000 -16.083 -8.210) 18.057 9.193 ( 0.000 6.031 6.976) 9.221 9.381 ( 0.000 -6.469 8.546) 10.718 9.635 ( 0.000 4.239 -11.545) 12.299 9.670 ( 0.000 1.816 -10.096) 10.258 10.575 ( 0.000 0.000 -2.533) 2.533 10.605 ( 0.000 -4.586 -3.291) 5.645 10.903 ( 0.000 -1.121 2.410) 2.658 10.936 ( 0.000 -2.202 2.870) 3.617 11.423 ( 0.000 2.768 2.138) 3.497 11.511 ( 0.000 -4.836 4.676) 6.727 11.571 ( 0.000 -0.600 -0.204) 0.634 11.608 ( 0.000 -4.651 -3.542) 5.847 11.680 ( 0.000 -2.484 -2.301) 3.387 11.687 ( 0.000 -2.826 -1.215) 3.076 12.566 ( 0.000 4.633 13.119) 13.913 12.664 ( 0.000 -3.678 13.437) 13.931 12.994 ( 0.000 7.274 -0.820) 7.320 13.138 ( 0.000 -4.520 -0.608) 4.561 13.405 ( 0.000 -0.964 -1.534) 1.812 13.452 ( 0.000 -3.225 -1.404) 3.518 15.344 ( 0.000 5.798 0.049) 5.798 15.458 ( 0.000 -4.747 2.869) 5.546 16.158 ( 0.000 7.387 -9.184) 11.786 16.254 ( 0.000 -2.230 -5.904) 6.311 23.482 ( 0.000 -0.220 2.573) 2.583 23.490 ( 0.000 -0.917 1.775) 1.998 23.669 ( 0.000 2.518 0.090) 2.520 23.732 ( 0.000 -3.349 0.233) 3.357 24.467 ( 0.000 3.059 6.629) 7.301 24.528 ( 0.000 -2.400 5.985) 6.448 25.129 ( 0.000 1.241 0.590) 1.374 25.179 ( 0.000 -3.161 -1.663) 3.572 26.650 ( 0.000 0.728 6.865) 6.903 26.663 ( 0.000 -0.836 5.021) 5.090 26.827 ( 0.000 2.753 4.078) 4.921 26.939 ( 0.000 -7.217 4.202) 8.351 27.439 ( 0.000 1.725 -2.891) 3.366 27.445 ( 0.000 1.317 -3.979) 4.191 27.940 ( 0.000 3.575 -4.448) 5.706 27.995 ( 0.000 -1.416 -5.847) 6.016 ======================= Grid point 169 (62/96) ======================= q-point: ( 0.17 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 2.087 11.016 13.737) 17.732 2.524 ( 4.029 5.111 7.109) 9.638 2.877 ( -5.379 2.712 10.851) 12.411 3.084 ( -6.806 -2.670 5.374) 9.074 3.220 ( -6.925 -5.678 7.531) 11.701 3.249 ( -4.876 -6.882 3.939) 9.309 3.521 ( -10.243 2.553 11.225) 15.409 3.660 ( -10.571 -8.783 5.785) 14.912 3.826 ( 1.949 8.687 14.259) 16.810 3.974 ( 1.197 -2.081 11.226) 11.480 4.105 ( -0.259 0.963 -0.651) 1.191 4.246 ( -9.484 -9.835 -0.725) 13.682 4.614 ( 10.022 10.138 2.184) 14.422 4.693 ( 10.626 7.299 3.834) 13.450 5.001 ( 7.029 -1.900 -0.258) 7.286 5.035 ( 4.264 -1.920 0.019) 4.676 5.415 ( 7.675 14.316 -8.210) 18.201 5.453 ( 12.269 13.276 -9.085) 20.232 5.605 ( 3.140 0.544 -7.724) 8.355 5.769 ( 11.836 -12.760 -10.615) 20.386 5.808 ( 4.446 -1.580 0.312) 4.729 6.023 ( 0.997 -17.395 -2.000) 17.538 6.093 ( 5.323 9.210 -5.031) 11.767 6.209 ( 4.225 -3.307 -4.243) 6.840 6.520 ( -11.274 2.409 -1.620) 11.642 6.642 ( -4.679 -7.885 -6.071) 10.996 7.112 ( -2.050 9.330 -5.117) 10.837 7.313 ( -5.386 -8.695 -10.231) 14.467 8.496 ( -7.372 16.354 -2.336) 18.090 8.593 ( -0.751 16.571 -5.608) 17.510 8.830 ( 7.125 -9.243 -0.030) 11.671 8.918 ( -8.227 -14.949 -7.646) 18.698 9.153 ( -2.849 3.346 3.813) 5.818 9.316 ( -5.777 -6.127 6.926) 10.903 9.615 ( -2.472 3.887 -10.464) 11.433 9.691 ( 0.521 -1.729 -8.531) 8.720 10.584 ( 2.194 2.224 -2.403) 3.942 10.640 ( 2.841 -1.815 -2.110) 3.977 10.907 ( -0.413 -0.803 2.438) 2.600 10.941 ( 0.864 -4.392 2.846) 5.305 11.395 ( -1.569 3.931 1.944) 4.658 11.501 ( -0.635 -5.084 5.176) 7.283 11.584 ( -1.000 1.400 -2.032) 2.662 11.657 ( 5.455 -0.358 -1.391) 5.641 11.696 ( 0.845 -4.350 -2.461) 5.068 11.758 ( 8.333 -6.951 -1.607) 10.970 12.518 ( -5.357 2.925 8.351) 10.344 12.571 ( -10.124 -1.307 6.438) 12.068 12.986 ( 1.377 7.091 3.535) 8.042 13.149 ( 1.031 -7.054 3.966) 8.158 13.394 ( -1.141 1.076 -0.459) 1.634 13.467 ( 0.295 -4.574 0.921) 4.675 15.387 ( 4.849 7.673 -0.222) 9.079 15.529 ( 7.033 -5.510 1.198) 9.014 16.096 ( -6.483 8.043 -8.059) 13.102 16.208 ( -4.898 -2.991 -5.589) 8.011 23.490 ( 0.883 0.623 1.951) 2.230 23.514 ( 2.452 -1.626 1.121) 3.148 23.653 ( -1.681 2.719 -0.022) 3.196 23.721 ( -1.249 -3.596 -0.277) 3.817 24.525 ( 5.950 3.006 6.389) 9.233 24.584 ( 5.888 -2.287 5.587) 8.433 25.097 ( -3.486 1.252 1.037) 3.846 25.149 ( -3.237 -3.337 -1.193) 4.799 26.656 ( 0.697 0.920 6.280) 6.385 26.675 ( 1.307 -0.959 5.017) 5.273 26.814 ( -1.390 2.061 4.083) 4.780 26.915 ( -2.457 -6.841 4.148) 8.369 27.473 ( 3.578 2.067 -2.982) 5.096 27.481 ( 3.698 1.407 -3.559) 5.321 27.908 ( -3.339 3.079 -4.175) 6.169 27.955 ( -4.182 -1.123 -5.400) 6.921 ======================= Grid point 170 (63/96) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 6.316 10.272 13.753) 18.291 2.645 ( 8.320 -1.380 5.938) 10.315 2.805 ( -2.392 9.684 8.004) 12.789 2.938 ( -8.874 2.252 7.676) 11.948 3.029 ( -11.093 -5.138 8.384) 14.824 3.157 ( -7.378 -3.653 4.107) 9.200 3.290 ( -9.175 -7.197 2.598) 11.947 3.462 ( -9.956 -11.743 1.052) 15.431 3.881 ( 3.437 6.523 12.894) 14.853 3.991 ( 0.155 0.660 7.035) 7.067 4.089 ( -2.303 -6.231 4.464) 8.003 4.106 ( -4.040 -4.784 4.012) 7.437 4.809 ( 8.969 17.012 0.064) 19.232 4.873 ( 6.637 16.440 2.399) 17.891 5.156 ( 9.188 -4.297 4.419) 11.064 5.177 ( 9.287 -11.538 0.475) 14.819 5.513 ( 6.905 9.664 -6.141) 13.372 5.610 ( 3.217 6.677 -5.537) 9.251 5.755 ( 7.834 -1.624 -8.457) 11.642 5.860 ( 0.883 -4.036 -2.864) 5.027 5.963 ( 6.668 -2.943 -4.498) 8.565 6.023 ( 1.008 -2.423 -1.412) 2.980 6.238 ( -5.034 -1.066 -0.613) 5.182 6.274 ( -3.776 -4.679 1.921) 6.312 6.317 ( 8.739 15.293 -10.600) 20.557 6.660 ( 9.891 -11.666 -12.780) 19.932 7.031 ( -8.567 5.026 -7.713) 12.575 7.173 ( -8.385 -6.171 -9.888) 14.358 8.356 ( -5.323 15.104 -1.367) 16.073 8.520 ( -8.488 20.288 0.115) 21.992 8.747 ( -4.965 -17.215 -3.087) 18.181 8.926 ( -3.724 -16.818 0.619) 17.236 9.180 ( 7.569 2.802 -2.946) 8.592 9.274 ( 4.474 -3.389 -0.476) 5.633 9.534 ( -6.368 2.167 -8.403) 10.764 9.636 ( -6.750 -5.883 -6.678) 11.170 10.663 ( 5.517 6.165 -1.282) 8.372 10.699 ( 3.483 2.966 -0.304) 4.585 10.885 ( -1.574 -0.901 2.778) 3.318 10.941 ( -1.734 -5.612 3.400) 6.787 11.393 ( 1.309 3.947 1.625) 4.465 11.504 ( -0.349 0.079 2.881) 2.903 11.541 ( -0.918 -2.734 0.501) 2.927 11.679 ( -2.319 -9.025 -0.195) 9.320 11.820 ( 11.084 4.099 -3.327) 12.277 11.944 ( 11.230 -7.713 -2.394) 13.832 12.325 ( -14.865 2.945 -1.229) 15.204 12.375 ( -10.351 -2.015 0.718) 10.570 13.068 ( 6.952 5.251 7.809) 11.700 13.196 ( 4.221 -5.613 8.012) 10.654 13.347 ( -4.032 0.777 3.406) 5.335 13.433 ( -4.128 -5.896 4.513) 8.495 15.522 ( 9.537 10.170 -1.833) 14.062 15.691 ( 9.955 -5.311 -1.627) 11.400 15.937 ( -10.143 8.657 -5.519) 14.432 16.080 ( -8.742 -4.656 -4.499) 10.878 23.516 ( 1.944 2.161 0.810) 3.018 23.570 ( 3.272 -2.625 -0.065) 4.196 23.612 ( -2.480 2.730 -0.332) 3.703 23.687 ( -2.370 -4.005 -0.977) 4.755 24.668 ( 8.959 3.306 5.478) 11.009 24.727 ( 8.861 -1.631 4.194) 9.939 25.004 ( -6.432 0.763 2.241) 6.854 25.060 ( -6.348 -3.931 0.137) 7.467 26.677 ( 1.596 1.523 5.322) 5.761 26.707 ( 1.809 -0.175 4.567) 4.915 26.783 ( -1.508 -0.613 4.314) 4.611 26.857 ( -3.605 -6.107 4.188) 8.236 27.564 ( 6.004 2.897 -2.845) 7.248 27.571 ( 5.798 2.284 -3.427) 7.112 27.824 ( -5.490 1.534 -3.505) 6.691 27.851 ( -6.677 -0.773 -4.394) 8.030 ======================= Grid point 171 (64/96) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -11.470 8.249 10.502) 17.604 2.624 ( 11.470 8.249 10.502) 17.604 2.842 ( -8.970 -10.988 8.740) 16.660 2.842 ( 8.970 -10.988 8.740) 16.660 2.950 ( -10.034 14.565 4.207) 18.180 2.950 ( 10.034 14.565 4.207) 18.180 3.305 ( -6.517 -16.482 0.257) 17.726 3.305 ( 6.517 -16.482 0.257) 17.726 3.950 ( -3.901 4.292 8.034) 9.909 3.950 ( 3.901 4.292 8.034) 9.909 4.072 ( -1.129 -6.409 6.138) 8.945 4.072 ( 1.129 -6.409 6.138) 8.945 4.911 ( -2.091 20.529 -0.633) 20.645 4.911 ( 2.091 20.529 -0.633) 20.645 5.273 ( -0.849 -11.796 3.004) 12.202 5.273 ( 0.849 -11.796 3.004) 12.202 5.643 ( -3.243 9.000 -4.411) 10.535 5.643 ( 3.243 9.000 -4.411) 10.535 5.796 ( -2.339 -5.296 -3.317) 6.673 5.796 ( 2.339 -5.296 -3.317) 6.673 6.077 ( -2.384 1.618 -2.106) 3.569 6.077 ( 2.384 1.618 -2.106) 3.569 6.127 ( -5.155 -3.903 -0.075) 6.466 6.127 ( 5.155 -3.903 -0.075) 6.466 6.655 ( -17.708 15.703 -11.975) 26.524 6.655 ( 17.708 15.703 -11.975) 26.524 7.003 ( -10.699 -14.818 -11.902) 21.811 7.003 ( 10.699 -14.818 -11.902) 21.811 8.357 ( -6.005 18.650 1.808) 19.676 8.357 ( 6.005 18.650 1.808) 19.676 8.783 ( -7.555 -18.663 -0.010) 20.134 8.783 ( 7.555 -18.663 -0.010) 20.134 9.351 ( -7.182 3.874 -5.833) 10.031 9.351 ( 7.182 3.874 -5.833) 10.031 9.472 ( -8.299 -6.752 -5.615) 12.083 9.472 ( 8.299 -6.752 -5.615) 12.083 10.736 ( -1.235 7.946 0.027) 8.041 10.736 ( 1.235 7.946 0.027) 8.041 10.886 ( -2.783 -5.096 3.447) 6.752 10.886 ( 2.783 -5.096 3.447) 6.752 11.441 ( -3.839 5.304 0.967) 6.619 11.441 ( 3.839 5.304 0.967) 6.619 11.608 ( -5.008 -9.818 1.682) 11.149 11.608 ( 5.008 -9.818 1.682) 11.149 12.054 ( -14.021 4.476 -3.620) 15.157 12.054 ( 14.021 4.476 -3.620) 15.157 12.162 ( -12.174 -5.850 -2.464) 13.730 12.162 ( 12.174 -5.850 -2.464) 13.730 13.206 ( -6.508 4.738 7.418) 10.946 13.206 ( 6.508 4.738 7.418) 10.946 13.333 ( -5.486 -7.562 6.903) 11.616 13.333 ( 5.486 -7.562 6.903) 11.616 15.717 ( -10.790 11.104 -4.284) 16.064 15.717 ( 10.790 11.104 -4.284) 16.064 15.901 ( -9.945 -6.340 -2.605) 12.078 15.901 ( 9.945 -6.340 -2.605) 12.078 23.559 ( -2.653 3.144 0.037) 4.114 23.559 ( 2.653 3.144 0.037) 4.114 23.635 ( -3.178 -3.984 -1.057) 5.205 23.635 ( 3.178 -3.984 -1.057) 5.205 24.822 ( -5.173 4.763 3.772) 7.980 24.822 ( 5.173 4.763 3.772) 7.980 24.933 ( -5.114 -5.525 2.245) 7.856 24.933 ( 5.114 -5.525 2.245) 7.856 26.710 ( -1.605 2.537 4.461) 5.377 26.710 ( 1.605 2.537 4.461) 5.377 26.794 ( -2.822 -5.369 4.477) 7.539 26.794 ( 2.822 -5.369 4.477) 7.539 27.657 ( -0.493 5.651 -3.453) 6.641 27.657 ( 0.493 5.651 -3.453) 6.641 27.746 ( -1.165 -2.545 -3.177) 4.234 27.746 ( 1.165 -2.545 -3.177) 4.234 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.000 0.000 22.489) 22.489 2.525 ( 0.000 0.000 33.725) 33.725 3.098 ( 0.000 0.000 -8.672) 8.672 3.290 ( 0.000 0.000 5.575) 5.575 3.397 ( 0.000 0.000 0.809) 0.809 3.547 ( 0.000 0.000 14.688) 14.688 3.671 ( 0.000 0.000 5.338) 5.338 3.689 ( 0.000 0.000 0.367) 0.367 3.745 ( 0.000 0.000 -4.414) 4.414 3.924 ( 0.000 0.000 13.162) 13.162 4.120 ( 0.000 0.000 -5.804) 5.804 4.351 ( 0.000 0.000 1.822) 1.822 4.527 ( 0.000 0.000 -14.304) 14.304 4.594 ( 0.000 0.000 -10.603) 10.603 4.809 ( 0.000 0.000 3.293) 3.293 4.948 ( 0.000 0.000 0.207) 0.207 5.117 ( 0.000 0.000 2.563) 2.563 5.224 ( 0.000 0.000 -4.539) 4.539 5.338 ( 0.000 0.000 2.628) 2.628 5.373 ( 0.000 0.000 -2.049) 2.049 6.107 ( 0.000 0.000 0.361) 0.361 6.114 ( 0.000 0.000 13.733) 13.733 6.321 ( 0.000 0.000 -3.820) 3.820 6.474 ( 0.000 0.000 -6.051) 6.051 6.475 ( 0.000 0.000 -0.635) 0.635 6.512 ( 0.000 0.000 0.706) 0.706 6.800 ( 0.000 0.000 -17.087) 17.087 6.886 ( 0.000 0.000 -25.614) 25.614 8.188 ( 0.000 0.000 8.184) 8.184 8.501 ( 0.000 0.000 0.209) 0.209 8.611 ( 0.000 0.000 -9.119) 9.119 8.770 ( 0.000 0.000 -8.941) 8.941 8.839 ( 0.000 0.000 4.088) 4.088 9.111 ( 0.000 0.000 -9.890) 9.890 9.889 ( 0.000 0.000 1.238) 1.238 9.989 ( 0.000 0.000 -1.733) 1.733 10.441 ( 0.000 0.000 3.563) 3.563 10.496 ( 0.000 0.000 -0.092) 0.092 11.239 ( 0.000 0.000 4.825) 4.825 11.251 ( 0.000 0.000 0.804) 0.804 11.411 ( 0.000 0.000 1.713) 1.713 11.645 ( 0.000 0.000 -5.989) 5.989 11.770 ( 0.000 0.000 4.482) 4.482 11.977 ( 0.000 0.000 4.857) 4.857 12.050 ( 0.000 0.000 2.316) 2.316 12.179 ( 0.000 0.000 -13.057) 13.057 12.503 ( 0.000 0.000 4.380) 4.380 12.633 ( 0.000 0.000 7.263) 7.263 12.710 ( 0.000 0.000 -3.970) 3.970 12.841 ( 0.000 0.000 -2.687) 2.687 13.873 ( 0.000 0.000 13.884) 13.884 14.457 ( 0.000 0.000 -14.664) 14.664 14.856 ( 0.000 0.000 5.502) 5.502 15.022 ( 0.000 0.000 -3.301) 3.301 15.847 ( 0.000 0.000 12.056) 12.056 16.205 ( 0.000 0.000 -4.966) 4.966 23.568 ( 0.000 0.000 0.554) 0.554 23.593 ( 0.000 0.000 -1.183) 1.183 23.642 ( 0.000 0.000 6.103) 6.103 23.859 ( 0.000 0.000 -3.310) 3.310 24.488 ( 0.000 0.000 6.499) 6.499 24.627 ( 0.000 0.000 0.653) 0.653 25.166 ( 0.000 0.000 -0.701) 0.701 25.232 ( 0.000 0.000 -4.218) 4.218 26.710 ( 0.000 0.000 5.009) 5.009 26.782 ( 0.000 0.000 0.863) 0.863 27.098 ( 0.000 0.000 2.817) 2.817 27.187 ( 0.000 0.000 -1.498) 1.498 27.315 ( 0.000 0.000 1.446) 1.446 27.471 ( 0.000 0.000 -5.828) 5.828 27.591 ( 0.000 0.000 3.825) 3.825 27.751 ( 0.000 0.000 -4.242) 4.242 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -10.326 0.000 30.130) 31.850 2.499 ( 4.869 0.000 20.864) 21.424 3.042 ( -5.257 0.000 -4.109) 6.672 3.306 ( 1.580 0.000 4.824) 5.076 3.440 ( -20.746 0.000 -13.038) 24.503 3.445 ( 3.866 0.000 -0.968) 3.985 3.629 ( -0.425 0.000 18.335) 18.340 3.643 ( -3.023 0.000 -1.693) 3.465 3.766 ( 0.778 0.000 -4.801) 4.863 3.849 ( -5.298 0.000 2.473) 5.847 4.192 ( 13.049 0.000 10.176) 16.548 4.407 ( 6.140 0.000 1.927) 6.435 4.534 ( 0.963 0.000 7.114) 7.179 4.639 ( 4.607 0.000 -9.487) 10.547 4.883 ( -0.054 0.000 3.218) 3.219 5.117 ( -0.904 0.000 1.648) 1.880 5.127 ( 19.471 0.000 -12.287) 23.024 5.216 ( 0.229 0.000 -4.710) 4.716 5.326 ( -0.490 0.000 3.372) 3.408 5.430 ( 6.371 0.000 -1.711) 6.596 5.984 ( -10.336 0.000 -4.756) 11.378 6.053 ( -20.923 0.000 -6.422) 21.886 6.100 ( -1.498 0.000 10.570) 10.675 6.383 ( -8.150 0.000 -0.568) 8.170 6.540 ( 1.435 0.000 -0.475) 1.511 6.605 ( 14.235 0.000 4.098) 14.814 6.839 ( -5.063 0.000 -20.167) 20.793 7.139 ( 25.680 0.000 -18.375) 31.577 8.041 ( -14.667 0.000 10.653) 18.128 8.443 ( -5.689 0.000 1.425) 5.865 8.574 ( -5.099 0.000 -12.402) 13.409 8.685 ( -6.242 0.000 -7.118) 9.467 8.978 ( 12.653 0.000 0.514) 12.664 9.243 ( 12.842 0.000 -10.933) 16.866 9.897 ( 0.456 0.000 0.557) 0.720 9.977 ( -1.538 0.000 -1.710) 2.300 10.454 ( 1.341 0.000 3.666) 3.904 10.501 ( 0.510 0.000 0.669) 0.841 11.171 ( -4.998 0.000 3.742) 6.244 11.291 ( -10.395 0.000 5.003) 11.537 11.340 ( 4.427 0.000 -0.751) 4.490 11.601 ( -2.768 0.000 -5.395) 6.063 11.716 ( -4.544 0.000 2.869) 5.374 12.003 ( 2.527 0.000 5.314) 5.884 12.041 ( -12.010 0.000 -11.035) 16.309 12.089 ( 3.480 0.000 2.346) 4.197 12.502 ( -0.157 0.000 3.763) 3.766 12.700 ( -1.488 0.000 -3.613) 3.907 12.743 ( 10.948 0.000 8.238) 13.701 12.978 ( 11.261 0.000 -3.376) 11.756 13.905 ( 3.519 0.000 11.537) 12.062 14.406 ( -5.209 0.000 -12.716) 13.741 14.823 ( -3.174 0.000 5.098) 6.005 14.972 ( -4.930 0.000 -2.587) 5.568 15.888 ( 4.023 0.000 10.118) 10.888 16.189 ( -1.762 0.000 -4.026) 4.395 23.559 ( -2.026 0.000 0.902) 2.218 23.592 ( -0.840 0.000 0.357) 0.913 23.628 ( 0.719 0.000 3.935) 4.000 23.840 ( -1.766 0.000 -4.133) 4.495 24.553 ( 6.285 0.000 6.129) 8.779 24.672 ( 4.388 0.000 1.090) 4.521 25.144 ( -2.254 0.000 -0.707) 2.362 25.207 ( -2.546 0.000 -4.173) 4.888 26.736 ( 2.731 0.000 4.974) 5.675 26.802 ( 1.941 0.000 1.212) 2.289 27.102 ( 0.408 0.000 2.719) 2.749 27.175 ( -1.063 0.000 -0.587) 1.214 27.330 ( 1.531 0.000 0.336) 1.568 27.462 ( -0.895 0.000 -5.532) 5.604 27.578 ( -1.285 0.000 3.340) 3.579 27.715 ( -3.677 0.000 -3.501) 5.077 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 2.594 0.000 18.549) 18.729 2.621 ( 8.017 0.000 16.261) 18.130 2.925 ( -7.314 0.000 2.649) 7.779 2.952 ( -27.908 0.000 -7.997) 29.031 3.345 ( 2.709 0.000 4.038) 4.862 3.468 ( -2.229 0.000 2.354) 3.241 3.624 ( 0.338 0.000 6.262) 6.271 3.637 ( 2.929 0.000 -7.713) 8.250 3.749 ( -5.638 0.000 -0.723) 5.684 3.757 ( -1.756 0.000 -6.954) 7.172 4.454 ( 10.415 0.000 15.894) 19.003 4.561 ( 1.576 0.000 8.930) 9.068 4.566 ( 10.268 0.000 1.635) 10.397 4.738 ( 4.805 0.000 -6.027) 7.708 4.916 ( 5.754 0.000 8.170) 9.994 5.075 ( -2.056 0.000 -0.315) 2.080 5.208 ( -5.389 0.000 2.130) 5.795 5.235 ( -0.533 0.000 -8.157) 8.174 5.558 ( 17.096 0.000 -4.999) 17.812 5.611 ( 14.329 0.000 -6.260) 15.637 5.702 ( -13.111 0.000 -2.333) 13.317 5.804 ( -10.047 0.000 -8.545) 13.189 6.048 ( -4.833 0.000 4.863) 6.856 6.199 ( -11.505 0.000 -1.889) 11.659 6.557 ( 0.844 0.000 -0.044) 0.845 6.719 ( -7.226 0.000 -10.432) 12.690 6.919 ( 19.318 0.000 10.520) 21.997 7.619 ( 24.827 0.000 -21.209) 32.653 7.704 ( -20.019 0.000 14.561) 24.754 8.356 ( -2.056 0.000 -0.711) 2.176 8.398 ( -14.136 0.000 -17.470) 22.473 8.543 ( -8.869 0.000 -8.552) 12.320 9.283 ( 19.068 0.000 0.541) 19.075 9.509 ( 13.819 0.000 -9.339) 16.679 9.879 ( -3.405 0.000 -1.530) 3.733 9.925 ( -4.090 0.000 -2.465) 4.775 10.483 ( 1.598 0.000 3.801) 4.123 10.510 ( 0.292 0.000 2.273) 2.292 11.024 ( -9.262 0.000 2.746) 9.661 11.077 ( -10.656 0.000 2.154) 10.872 11.438 ( 5.829 0.000 2.871) 6.497 11.581 ( -0.517 0.000 -2.059) 2.123 11.652 ( -1.504 0.000 -0.560) 1.605 11.823 ( -10.469 0.000 -7.824) 13.069 12.066 ( 4.258 0.000 5.559) 7.002 12.149 ( 2.219 0.000 3.151) 3.854 12.502 ( 0.690 0.000 1.282) 1.456 12.644 ( -4.544 0.000 -2.888) 5.384 12.974 ( 12.512 0.000 7.686) 14.684 13.149 ( 5.648 0.000 -0.772) 5.700 13.998 ( 6.376 0.000 5.837) 8.644 14.281 ( -7.922 0.000 -7.641) 11.007 14.766 ( -2.102 0.000 3.367) 3.969 14.865 ( -6.113 0.000 -1.457) 6.284 15.977 ( 5.193 0.000 6.195) 8.084 16.142 ( -3.338 0.000 -1.468) 3.646 23.517 ( -1.750 0.000 2.338) 2.920 23.548 ( -2.829 0.000 2.293) 3.642 23.684 ( 3.975 0.000 -0.967) 4.091 23.803 ( -2.247 0.000 -4.451) 4.986 24.682 ( 6.802 0.000 5.284) 8.613 24.758 ( 3.931 0.000 2.012) 4.416 25.096 ( -2.311 0.000 -1.108) 2.563 25.147 ( -3.614 0.000 -3.872) 5.296 26.798 ( 3.495 0.000 4.639) 5.808 26.839 ( 1.635 0.000 2.262) 2.791 27.113 ( 0.794 0.000 2.398) 2.526 27.153 ( -1.292 0.000 0.791) 1.515 27.365 ( 2.109 0.000 -1.585) 2.638 27.439 ( -1.629 0.000 -4.671) 4.947 27.555 ( -0.786 0.000 2.000) 2.149 27.633 ( -4.689 0.000 -1.780) 5.015 ======================= Grid point 199 (68/96) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -19.278 0.000 3.319) 19.561 2.503 ( 19.278 0.000 3.319) 19.561 2.777 ( -8.571 0.000 9.701) 12.945 2.777 ( 8.571 0.000 9.701) 12.945 3.405 ( -3.684 0.000 3.484) 5.071 3.405 ( 3.684 0.000 3.484) 5.071 3.659 ( -3.637 0.000 1.683) 4.008 3.659 ( 3.637 0.000 1.683) 4.008 3.706 ( -3.624 0.000 -8.599) 9.331 3.706 ( 3.624 0.000 -8.599) 9.331 4.556 ( -2.449 0.000 9.536) 9.845 4.556 ( 2.449 0.000 9.536) 9.845 4.734 ( -6.160 0.000 -0.077) 6.161 4.734 ( 6.160 0.000 -0.077) 6.161 5.073 ( -9.010 0.000 8.953) 12.702 5.073 ( 9.010 0.000 8.953) 12.702 5.129 ( -8.094 0.000 -6.546) 10.410 5.129 ( 8.094 0.000 -6.546) 10.410 5.648 ( -5.542 0.000 -5.542) 7.838 5.648 ( 5.542 0.000 -5.542) 7.838 5.795 ( -5.761 0.000 -7.014) 9.077 5.795 ( 5.761 0.000 -7.014) 9.077 5.990 ( -7.505 0.000 1.329) 7.622 5.990 ( 7.505 0.000 1.329) 7.622 6.602 ( -4.681 0.000 -2.918) 5.516 6.602 ( 4.681 0.000 -2.918) 5.516 7.301 ( -21.815 0.000 13.660) 25.739 7.301 ( 21.815 0.000 13.660) 25.739 8.064 ( -21.726 0.000 -20.143) 29.627 8.064 ( 21.726 0.000 -20.143) 29.627 8.395 ( -6.052 0.000 -5.963) 8.496 8.395 ( 6.052 0.000 -5.963) 8.496 9.591 ( -10.290 0.000 -1.070) 10.346 9.591 ( 10.290 0.000 -1.070) 10.346 9.838 ( -3.901 0.000 -5.274) 6.559 9.838 ( 3.901 0.000 -5.274) 6.559 10.506 ( -0.791 0.000 3.481) 3.570 10.506 ( 0.791 0.000 3.481) 3.570 10.945 ( -2.099 0.000 1.840) 2.792 10.945 ( 2.099 0.000 1.840) 2.792 11.538 ( -4.359 0.000 1.937) 4.770 11.538 ( 4.359 0.000 1.937) 4.770 11.680 ( -4.747 0.000 -4.344) 6.434 11.680 ( 4.747 0.000 -4.344) 6.434 12.142 ( -3.035 0.000 4.819) 5.695 12.142 ( 3.035 0.000 4.819) 5.695 12.551 ( -4.630 0.000 -1.812) 4.971 12.551 ( 4.630 0.000 -1.812) 4.971 13.151 ( -5.527 0.000 4.249) 6.972 13.151 ( 5.527 0.000 4.249) 6.972 14.132 ( -7.974 0.000 -1.003) 8.036 14.132 ( 7.974 0.000 -1.003) 8.036 14.774 ( -3.113 0.000 0.478) 3.150 14.774 ( 3.113 0.000 0.478) 3.150 16.068 ( -4.599 0.000 2.124) 5.066 16.068 ( 4.599 0.000 2.124) 5.066 23.509 ( -1.008 0.000 2.400) 2.603 23.509 ( 1.008 0.000 2.400) 2.603 23.753 ( -3.285 0.000 -3.190) 4.579 23.753 ( 3.285 0.000 -3.190) 4.579 24.775 ( -2.601 0.000 3.891) 4.681 24.775 ( 2.601 0.000 3.891) 4.681 25.090 ( -1.949 0.000 -2.774) 3.391 25.090 ( 1.949 0.000 -2.774) 3.391 26.845 ( -1.224 0.000 3.663) 3.862 26.845 ( 1.224 0.000 3.663) 3.862 27.130 ( -1.118 0.000 1.787) 2.108 27.130 ( 1.118 0.000 1.787) 2.108 27.404 ( -2.071 0.000 -3.321) 3.914 27.404 ( 2.071 0.000 -3.321) 3.914 27.566 ( -2.195 0.000 0.161) 2.201 27.566 ( 2.195 0.000 0.161) 2.201 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 0.000 2.562 22.082) 22.230 2.537 ( 0.000 2.086 29.196) 29.270 3.097 ( 0.000 -1.094 -5.861) 5.962 3.244 ( 0.000 -2.286 3.814) 4.446 3.502 ( 0.000 6.458 -0.095) 6.458 3.560 ( 0.000 -4.155 -5.499) 6.893 3.661 ( 0.000 -2.811 2.034) 3.470 3.711 ( 0.000 9.741 24.251) 26.135 3.847 ( 0.000 11.064 0.784) 11.092 4.053 ( 0.000 9.610 8.713) 12.971 4.140 ( 0.000 2.186 -5.637) 6.046 4.327 ( 0.000 -2.970 2.456) 3.853 4.510 ( 0.000 -1.177 -12.606) 12.661 4.512 ( 0.000 -11.095 -4.282) 11.893 4.725 ( 0.000 -0.896 -3.084) 3.211 4.824 ( 0.000 -4.353 -3.722) 5.727 5.196 ( 0.000 -2.506 1.451) 2.896 5.227 ( 0.000 -5.046 1.195) 5.185 5.341 ( 0.000 6.701 -0.099) 6.702 5.455 ( 0.000 7.915 -4.809) 9.261 5.935 ( 0.000 -9.346 9.464) 13.301 6.140 ( 0.000 -1.529 3.289) 3.627 6.260 ( 0.000 -5.036 -3.516) 6.141 6.465 ( 0.000 -2.473 -10.355) 10.646 6.503 ( 0.000 2.335 -1.178) 2.616 6.541 ( 0.000 1.733 -0.134) 1.738 6.880 ( 0.000 0.622 -15.883) 15.895 6.980 ( 0.000 12.645 -16.285) 20.618 8.157 ( 0.000 -1.003 5.984) 6.068 8.312 ( 0.000 -7.438 -3.516) 8.227 8.836 ( 0.000 5.655 -5.235) 7.706 8.869 ( 0.000 2.386 4.775) 5.338 8.877 ( 0.000 15.129 -6.261) 16.373 9.180 ( 0.000 5.552 -10.400) 11.789 9.771 ( 0.000 -10.202 1.558) 10.320 9.857 ( 0.000 -10.246 -0.973) 10.292 10.483 ( 0.000 3.327 3.194) 4.612 10.573 ( 0.000 5.164 -1.816) 5.474 11.191 ( 0.000 -4.557 4.529) 6.425 11.194 ( 0.000 -5.231 1.163) 5.359 11.404 ( 0.000 -0.545 1.199) 1.317 11.618 ( 0.000 -2.362 -6.165) 6.601 11.721 ( 0.000 -3.654 4.057) 5.459 11.884 ( 0.000 -8.868 -0.699) 8.896 11.967 ( 0.000 -2.721 4.701) 5.432 12.144 ( 0.000 -11.475 -1.315) 11.550 12.502 ( 0.000 8.561 -1.846) 8.758 12.621 ( 0.000 -3.768 -3.095) 4.876 12.800 ( 0.000 8.687 6.296) 10.729 12.946 ( 0.000 6.617 -1.031) 6.697 13.778 ( 0.000 -8.038 9.798) 12.673 14.063 ( 0.000 -23.145 -2.769) 23.310 15.092 ( 0.000 5.901 -0.390) 5.914 15.218 ( 0.000 20.052 -7.485) 21.403 15.837 ( 0.000 -0.732 11.716) 11.739 16.198 ( 0.000 -0.759 -5.497) 5.549 23.560 ( 0.000 -0.700 0.748) 1.025 23.590 ( 0.000 -0.567 -0.793) 0.975 23.632 ( 0.000 -0.594 5.417) 5.450 23.836 ( 0.000 -2.077 -3.209) 3.822 24.500 ( 0.000 1.125 6.251) 6.351 24.628 ( 0.000 0.056 0.779) 0.781 25.159 ( 0.000 -0.631 -0.365) 0.729 25.218 ( 0.000 -1.225 -3.719) 3.915 26.716 ( 0.000 0.648 4.670) 4.715 26.770 ( 0.000 -0.903 1.372) 1.642 27.054 ( 0.000 -4.312 4.654) 6.344 27.227 ( 0.000 3.076 -2.880) 4.214 27.310 ( 0.000 0.696 -0.108) 0.704 27.337 ( 0.000 -8.137 -1.128) 8.214 27.697 ( 0.000 5.931 0.326) 5.940 27.806 ( 0.000 3.991 -4.401) 5.941 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -7.551 4.297 26.141) 27.547 2.534 ( 4.124 2.659 21.055) 21.620 3.045 ( -5.326 -0.134 -3.278) 6.256 3.233 ( -0.582 -4.432 5.590) 7.158 3.345 ( -13.656 -2.443 -6.425) 15.289 3.553 ( -2.161 -2.626 -6.193) 7.065 3.651 ( -3.478 3.517 1.445) 5.153 3.758 ( -12.750 4.379 2.004) 13.629 3.812 ( 2.432 11.633 4.917) 12.861 3.937 ( 4.169 7.249 5.505) 10.012 4.204 ( 3.789 1.210 7.468) 8.461 4.366 ( 5.248 -4.951 5.969) 9.364 4.399 ( 0.723 -6.124 2.898) 6.813 4.744 ( 7.484 6.394 -7.090) 12.131 4.819 ( 9.632 -5.296 -3.069) 11.413 4.910 ( 3.770 -7.336 -4.617) 9.452 5.206 ( 3.453 -1.603 1.316) 4.028 5.250 ( 7.309 -1.886 0.285) 7.554 5.394 ( 4.021 7.232 -2.377) 8.609 5.493 ( 3.422 8.381 -5.393) 10.537 5.904 ( -3.709 -5.848 3.327) 7.683 6.032 ( -8.658 -0.901 -2.800) 9.144 6.187 ( -8.299 3.026 0.987) 8.888 6.407 ( -8.566 1.699 -1.216) 8.817 6.505 ( 3.723 -3.478 -3.959) 6.452 6.600 ( 6.063 -0.858 -2.191) 6.503 6.852 ( -1.576 2.182 -8.992) 9.386 7.188 ( 17.794 3.144 -17.851) 25.400 8.026 ( -12.941 1.122 8.180) 15.350 8.281 ( -3.513 -7.612 -3.833) 9.218 8.710 ( -9.419 8.118 -3.703) 12.975 8.859 ( -3.663 12.892 -7.866) 15.540 8.988 ( 11.029 0.540 1.151) 11.102 9.274 ( 9.248 2.074 -11.225) 14.691 9.783 ( 0.850 -9.771 1.475) 9.919 9.865 ( 0.307 -8.771 -1.150) 8.851 10.490 ( 0.719 2.861 3.219) 4.366 10.566 ( -0.696 4.421 -0.996) 4.585 11.125 ( -3.536 -4.180 4.736) 7.239 11.270 ( -5.702 -2.366 6.972) 9.313 11.314 ( 1.037 -1.849 -3.863) 4.407 11.563 ( -3.905 -3.116 -5.597) 7.502 11.690 ( -2.378 -1.964 2.872) 4.214 11.871 ( -2.012 -7.753 -2.457) 8.378 11.996 ( 2.441 -2.377 4.731) 5.830 12.182 ( 1.624 -3.869 -3.447) 5.430 12.412 ( -4.700 0.569 3.885) 6.124 12.615 ( -1.495 -4.648 -3.257) 5.869 12.878 ( 7.217 7.387 7.016) 12.485 13.054 ( 9.116 5.952 -1.952) 11.061 13.800 ( 2.218 -8.804 7.884) 12.024 14.034 ( -2.958 -22.077 -2.342) 22.397 15.054 ( -3.479 7.936 0.490) 8.679 15.180 ( -3.848 19.600 -6.558) 21.023 15.874 ( 3.749 -1.164 9.709) 10.473 16.180 ( -1.955 -0.942 -4.630) 5.114 23.553 ( -1.751 -0.515 1.222) 2.197 23.592 ( -0.113 -0.112 -0.693) 0.711 23.616 ( 0.072 -0.871 4.425) 4.511 23.817 ( -1.768 -2.079 -3.861) 4.729 24.562 ( 6.021 0.851 5.903) 8.475 24.673 ( 4.468 0.106 1.092) 4.601 25.137 ( -2.305 -0.666 -0.291) 2.417 25.194 ( -2.421 -1.104 -3.638) 4.507 26.733 ( 1.762 -0.073 4.542) 4.873 26.783 ( 1.247 -1.379 1.512) 2.396 27.064 ( 1.156 -4.145 4.709) 6.379 27.231 ( 0.214 4.667 -0.946) 4.766 27.293 ( -1.126 -5.168 -1.507) 5.500 27.350 ( 0.892 -3.027 -1.779) 3.622 27.683 ( -1.393 5.782 0.143) 5.949 27.774 ( -3.267 4.137 -3.689) 6.434 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 2.334 5.882 16.967) 18.108 2.645 ( 7.453 1.897 15.918) 17.679 2.894 ( -14.590 -0.985 -0.919) 14.652 2.991 ( -16.813 1.824 -0.260) 16.914 3.260 ( 2.681 -5.866 1.251) 6.570 3.486 ( -8.886 0.998 -1.017) 9.000 3.547 ( 0.440 -6.676 -4.554) 8.094 3.639 ( -3.673 -2.544 -0.669) 4.518 3.855 ( 2.040 12.542 1.544) 12.800 3.936 ( -2.515 13.040 -1.325) 13.346 4.308 ( 4.752 -8.034 9.708) 13.468 4.404 ( -0.416 -7.540 3.730) 8.422 4.537 ( 10.561 -6.381 10.064) 15.922 4.831 ( -5.619 -12.045 3.118) 13.652 4.910 ( 9.678 7.209 -5.289) 13.176 5.021 ( 8.802 9.777 -0.863) 13.184 5.295 ( 6.067 4.224 1.935) 7.641 5.389 ( -1.672 8.774 0.410) 8.942 5.542 ( 13.415 0.980 -5.183) 14.415 5.610 ( 10.907 1.719 -8.545) 13.962 5.785 ( -8.581 3.687 -2.453) 9.656 5.873 ( -6.495 4.572 -7.649) 11.027 6.074 ( -4.101 2.388 4.177) 6.321 6.218 ( -11.378 1.744 -1.286) 11.582 6.530 ( -0.195 -2.296 -1.004) 2.514 6.636 ( -4.263 -6.494 -7.262) 10.634 6.960 ( 14.599 2.728 7.391) 16.589 7.484 ( 6.845 -12.362 -12.710) 19.006 7.786 ( -5.741 9.614 5.942) 12.677 8.179 ( -7.954 -7.876 -9.109) 14.432 8.550 ( -5.764 9.603 -4.713) 12.151 8.733 ( -9.337 12.342 -10.828) 18.888 9.258 ( 17.032 -2.495 0.559) 17.222 9.478 ( 11.592 -3.353 -9.385) 15.287 9.767 ( -3.640 -9.802 0.074) 10.456 9.841 ( -3.482 -6.909 -2.522) 8.137 10.506 ( 0.947 1.938 3.192) 3.852 10.549 ( -1.102 2.914 0.873) 3.235 11.039 ( -5.276 0.641 4.048) 6.681 11.080 ( -9.015 1.325 4.142) 10.009 11.406 ( 4.671 -2.725 0.677) 5.450 11.511 ( -2.087 -5.017 -2.464) 5.966 11.673 ( 0.977 1.039 -0.473) 1.503 11.811 ( -4.168 -1.836 -6.563) 7.988 12.041 ( 2.695 -2.777 5.391) 6.636 12.162 ( -2.465 0.912 1.482) 3.017 12.401 ( 2.252 -8.221 2.423) 8.862 12.562 ( -4.293 -6.430 -2.767) 8.212 13.040 ( 9.645 4.752 7.378) 13.040 13.192 ( 4.375 3.700 0.167) 5.732 13.850 ( 2.985 -11.419 3.786) 12.395 13.968 ( -3.847 -19.242 -1.244) 19.662 14.997 ( -1.795 12.443 0.818) 12.599 15.091 ( -5.364 18.556 -4.219) 19.771 15.959 ( 5.048 -1.747 5.616) 7.750 16.128 ( -3.608 -1.393 -2.190) 4.445 23.517 ( -1.441 0.065 2.272) 2.692 23.552 ( -2.734 0.440 1.809) 3.308 23.667 ( 3.715 -1.569 -0.749) 4.102 23.780 ( -2.220 -2.078 -4.085) 5.092 24.688 ( 6.841 0.666 5.081) 8.548 24.764 ( 4.252 0.505 1.793) 4.642 25.086 ( -2.571 -0.958 -0.502) 2.789 25.136 ( -3.656 -1.038 -3.265) 5.011 26.772 ( 2.193 -1.679 4.028) 4.884 26.805 ( 0.757 -2.385 2.086) 3.257 27.098 ( 2.588 -3.573 4.680) 6.432 27.212 ( -2.469 1.315 3.558) 4.526 27.297 ( 1.722 -2.913 -4.807) 5.879 27.359 ( -0.155 -0.044 -3.333) 3.337 27.655 ( -1.312 5.299 -0.205) 5.463 27.702 ( -3.875 4.405 -2.093) 6.229 ======================= Grid point 206 (72/96) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -16.745 3.702 4.067) 17.625 2.539 ( 16.745 3.702 4.067) 17.625 2.799 ( -8.606 1.385 9.651) 13.005 2.799 ( 8.606 1.385 9.651) 13.005 3.343 ( -6.313 -4.482 1.535) 7.893 3.343 ( 6.313 -4.482 1.535) 7.893 3.579 ( -2.683 -5.660 -4.458) 7.688 3.579 ( 2.683 -5.660 -4.458) 7.688 3.892 ( -2.157 13.967 -0.436) 14.140 3.892 ( 2.157 13.967 -0.436) 14.140 4.373 ( -2.693 -8.841 5.207) 10.607 4.373 ( 2.693 -8.841 5.207) 10.607 4.704 ( -7.680 -11.673 7.112) 15.679 4.704 ( 7.680 -11.673 7.112) 15.679 5.076 ( -5.173 11.405 -3.415) 12.980 5.076 ( 5.173 11.405 -3.415) 12.980 5.353 ( -0.864 11.182 2.241) 11.437 5.353 ( 0.864 11.182 2.241) 11.437 5.682 ( -3.224 2.473 -4.479) 6.047 5.682 ( 3.224 2.473 -4.479) 6.047 5.805 ( -4.243 0.207 -9.211) 10.144 5.805 ( 4.243 0.207 -9.211) 10.144 6.040 ( -4.208 4.829 2.507) 6.878 6.040 ( 4.208 4.829 2.507) 6.878 6.549 ( -3.319 -4.755 -2.146) 6.183 6.549 ( 3.319 -4.755 -2.146) 6.183 7.281 ( -18.393 -3.121 8.205) 20.380 7.281 ( 18.393 -3.121 8.205) 20.380 7.966 ( -14.689 -3.430 -12.197) 19.398 7.966 ( 14.689 -3.430 -12.197) 19.398 8.565 ( -6.921 11.533 -8.770) 16.057 8.565 ( 6.921 11.533 -8.770) 16.057 9.544 ( -10.774 -4.477 -0.734) 11.690 9.544 ( 10.774 -4.477 -0.734) 11.690 9.737 ( -6.123 -8.904 -5.100) 11.950 9.737 ( 6.123 -8.904 -5.100) 11.950 10.526 ( -1.291 1.883 2.514) 3.396 10.526 ( 1.291 1.883 2.514) 3.396 10.987 ( -0.883 3.735 3.721) 5.346 10.987 ( 0.883 3.735 3.721) 5.346 11.471 ( -2.593 -4.749 0.531) 5.437 11.471 ( 2.593 -4.749 0.531) 5.437 11.727 ( -4.501 2.619 -4.563) 6.924 11.727 ( 4.501 2.619 -4.563) 6.924 12.105 ( -3.820 -3.237 4.874) 6.988 12.105 ( 3.820 -3.237 4.874) 6.988 12.470 ( -4.974 -7.262 -1.454) 8.922 12.470 ( 4.974 -7.262 -1.454) 8.922 13.186 ( -4.972 2.961 4.621) 7.405 13.186 ( 4.972 2.961 4.621) 7.405 13.904 ( -3.012 -15.401 0.486) 15.701 13.904 ( 3.012 -15.401 0.486) 15.701 15.008 ( -2.977 16.484 -1.246) 16.796 15.008 ( 2.977 16.484 -1.246) 16.796 16.050 ( -4.732 -1.796 1.401) 5.252 16.050 ( 4.732 -1.796 1.401) 5.252 23.513 ( -1.101 0.434 2.102) 2.412 23.513 ( 1.101 0.434 2.102) 2.412 23.732 ( -3.123 -1.945 -2.883) 4.674 23.732 ( 3.123 -1.945 -2.883) 4.674 24.784 ( -2.669 0.896 3.659) 4.617 24.784 ( 2.669 0.896 3.659) 4.617 25.077 ( -2.010 -1.266 -2.128) 3.189 25.077 ( 2.010 -1.266 -2.128) 3.189 26.803 ( -0.986 -2.740 3.087) 4.244 26.803 ( 0.986 -2.740 3.087) 4.244 27.155 ( -3.387 -2.325 4.359) 5.989 27.155 ( 3.387 -2.325 4.359) 5.989 27.337 ( -2.132 0.488 -4.494) 4.998 27.337 ( 2.132 0.488 -4.494) 4.998 27.652 ( -1.303 4.704 -0.770) 4.941 27.652 ( 1.303 4.704 -0.770) 4.941 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 0.000 3.781 19.808) 20.165 2.628 ( 0.000 5.712 20.527) 21.307 3.069 ( 0.000 -0.360 -1.447) 1.491 3.211 ( 0.000 -1.012 -1.198) 1.568 3.426 ( 0.000 -7.593 -1.682) 7.777 3.481 ( 0.000 -3.231 -3.996) 5.139 3.795 ( 0.000 7.232 9.678) 12.081 3.893 ( 0.000 6.495 15.047) 16.389 4.071 ( 0.000 5.103 9.585) 10.859 4.165 ( 0.000 -5.121 3.110) 5.991 4.170 ( 0.000 -9.786 -4.700) 10.856 4.305 ( 0.000 8.448 1.993) 8.680 4.337 ( 0.000 8.039 -2.689) 8.477 4.509 ( 0.000 3.436 -2.619) 4.320 4.810 ( 0.000 7.037 -7.355) 10.180 4.841 ( 0.000 5.541 -7.114) 9.017 5.053 ( 0.000 -7.139 2.569) 7.587 5.154 ( 0.000 -0.560 -0.673) 0.876 5.453 ( 0.000 -1.060 -4.319) 4.447 5.547 ( 0.000 -1.061 -8.337) 8.404 5.807 ( 0.000 -0.719 9.449) 9.476 6.086 ( 0.000 -2.764 3.057) 4.122 6.162 ( 0.000 -3.237 -3.116) 4.492 6.289 ( 0.000 -13.332 -8.972) 16.070 6.550 ( 0.000 1.713 -1.892) 2.552 6.584 ( 0.000 1.894 -3.886) 4.323 6.932 ( 0.000 3.509 -3.791) 5.165 7.168 ( 0.000 3.049 -15.222) 15.525 8.243 ( 0.000 10.164 2.042) 10.367 8.275 ( 0.000 4.727 -3.426) 5.838 8.899 ( 0.000 -0.851 5.896) 5.957 8.985 ( 0.000 7.208 -0.816) 7.254 9.194 ( 0.000 14.170 -7.893) 16.220 9.258 ( 0.000 -1.954 -10.030) 10.219 9.543 ( 0.000 -6.738 2.419) 7.159 9.638 ( 0.000 -9.098 -0.393) 9.107 10.551 ( 0.000 2.328 1.981) 3.057 10.643 ( 0.000 0.168 -2.239) 2.246 11.048 ( 0.000 -7.535 1.711) 7.727 11.060 ( 0.000 -6.781 2.325) 7.169 11.401 ( 0.000 0.649 0.699) 0.953 11.557 ( 0.000 -3.000 -5.503) 6.268 11.648 ( 0.000 -2.972 2.906) 4.157 11.736 ( 0.000 -4.908 0.014) 4.908 11.823 ( 0.000 -9.436 2.414) 9.740 11.853 ( 0.000 -13.755 1.257) 13.813 12.636 ( 0.000 4.886 3.114) 5.794 12.715 ( 0.000 9.569 -2.409) 9.868 12.943 ( 0.000 4.732 7.099) 8.531 13.078 ( 0.000 5.455 -0.767) 5.509 13.579 ( 0.000 -9.738 2.500) 10.054 13.626 ( 0.000 -17.336 0.434) 17.341 15.241 ( 0.000 7.655 3.543) 8.435 15.525 ( 0.000 6.889 -7.548) 10.219 15.854 ( 0.000 3.920 5.633) 6.863 16.170 ( 0.000 -1.998 -6.785) 7.073 23.542 ( 0.000 -0.892 1.251) 1.536 23.563 ( 0.000 -1.619 1.782) 2.408 23.634 ( 0.000 0.790 1.834) 1.997 23.779 ( 0.000 -3.099 -2.771) 4.157 24.534 ( 0.000 1.975 5.451) 5.797 24.627 ( 0.000 -0.249 1.278) 1.302 25.144 ( 0.000 -0.643 0.281) 0.701 25.185 ( 0.000 -1.666 -2.423) 2.941 26.742 ( 0.000 1.842 4.047) 4.446 26.754 ( 0.000 -0.391 2.532) 2.562 26.944 ( 0.000 -5.035 5.215) 7.249 27.140 ( 0.000 -8.387 -2.370) 8.716 27.324 ( 0.000 3.856 -0.715) 3.922 27.351 ( 0.000 2.562 -1.183) 2.822 27.805 ( 0.000 4.196 -0.780) 4.268 27.879 ( 0.000 2.448 -4.210) 4.869 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -2.474 8.042 17.795) 19.684 2.595 ( 1.882 3.272 19.393) 19.757 3.026 ( -4.420 -1.146 -0.561) 4.600 3.168 ( -3.663 -1.816 1.324) 4.297 3.325 ( -12.513 0.115 -4.965) 13.462 3.404 ( -3.454 -7.970 -1.900) 8.892 3.704 ( -6.836 0.056 2.478) 7.272 3.767 ( -21.803 -6.229 -3.965) 23.019 4.031 ( 4.008 5.738 13.370) 15.091 4.083 ( 5.347 3.795 11.480) 13.220 4.281 ( 1.190 -3.362 6.116) 7.080 4.317 ( 2.391 11.023 -0.813) 11.309 4.429 ( 3.168 13.826 0.909) 14.213 4.570 ( 1.587 -13.009 -2.426) 13.328 4.905 ( 9.766 8.668 -5.407) 14.133 4.976 ( 13.859 7.612 -5.403) 16.710 5.157 ( 11.549 -2.777 -0.569) 11.892 5.181 ( 5.130 -0.891 0.539) 5.235 5.511 ( 5.539 -0.712 -4.469) 7.153 5.638 ( 7.135 2.556 -9.570) 12.207 5.826 ( 1.923 0.587 6.274) 6.588 6.002 ( -5.492 -0.855 -0.583) 5.589 6.178 ( -2.331 -2.729 0.813) 3.680 6.313 ( 2.633 -11.693 -8.990) 14.982 6.469 ( -6.175 1.293 0.086) 6.309 6.593 ( -0.743 -0.267 -4.583) 4.651 6.928 ( 0.432 3.800 -1.215) 4.013 7.194 ( 1.662 -2.842 -13.373) 13.773 8.180 ( -6.063 12.280 -0.050) 13.695 8.230 ( -4.348 5.213 -1.236) 6.900 8.894 ( -8.362 7.958 -0.256) 11.546 8.969 ( 7.710 -3.055 2.384) 8.629 9.143 ( -5.811 12.548 -8.490) 16.227 9.252 ( 0.589 -5.902 -8.285) 10.189 9.573 ( 1.397 -7.260 1.733) 7.594 9.673 ( 2.705 -8.068 -1.597) 8.658 10.549 ( -0.015 2.138 2.020) 2.942 10.630 ( -1.016 1.036 -1.522) 2.102 11.019 ( -0.468 -4.895 4.479) 6.651 11.151 ( 5.218 -8.520 2.519) 10.303 11.317 ( -5.589 2.555 -1.048) 6.234 11.502 ( -3.975 -1.675 -5.168) 6.731 11.656 ( 0.590 -0.934 2.292) 2.544 11.737 ( -0.525 -5.080 0.485) 5.131 11.858 ( 3.748 -9.962 2.810) 11.008 11.959 ( 8.475 -12.808 -0.746) 15.376 12.527 ( -12.455 5.990 0.914) 13.850 12.582 ( -8.447 1.900 -0.364) 8.666 13.006 ( 6.054 4.843 7.764) 10.972 13.190 ( 7.694 6.227 -0.688) 9.922 13.570 ( -0.411 -13.134 2.940) 13.466 13.644 ( 1.232 -12.682 0.410) 12.749 15.242 ( 0.413 9.289 3.412) 9.904 15.515 ( -1.570 9.970 -8.653) 13.294 15.859 ( 0.943 0.899 6.203) 6.339 16.145 ( -2.617 -2.412 -6.067) 7.034 23.539 ( -0.978 -0.689 1.768) 2.135 23.573 ( 1.724 -1.539 0.636) 2.397 23.615 ( -1.836 0.852 1.797) 2.706 23.760 ( -1.768 -3.069 -3.111) 4.714 24.590 ( 5.592 1.754 5.183) 7.824 24.675 ( 4.827 -0.071 1.333) 5.008 25.120 ( -2.528 -0.739 0.507) 2.682 25.164 ( -2.275 -1.625 -2.271) 3.601 26.744 ( 0.258 1.117 3.831) 3.999 26.760 ( 0.499 -0.470 2.303) 2.402 26.949 ( 0.627 -5.543 5.149) 7.592 27.120 ( -2.088 -8.587 -1.204) 8.919 27.342 ( 2.204 5.064 -1.086) 5.628 27.382 ( 2.790 3.028 -1.615) 4.423 27.786 ( -2.042 3.811 -0.858) 4.408 27.848 ( -3.279 2.399 -3.672) 5.476 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 1.548 9.706 12.872) 16.196 2.688 ( 6.660 2.323 13.365) 15.112 2.896 ( -10.398 0.975 2.191) 10.671 3.036 ( -15.659 2.741 -4.024) 16.398 3.137 ( 1.159 -5.099 4.388) 6.827 3.365 ( -3.304 -9.250 1.644) 9.959 3.448 ( -10.360 -5.404 -4.455) 12.505 3.564 ( -7.655 -4.681 -3.231) 9.537 4.069 ( 2.345 3.051 8.524) 9.353 4.152 ( 0.059 -0.124 8.353) 8.354 4.311 ( 2.619 3.858 8.541) 9.731 4.382 ( 3.588 8.632 -4.873) 10.542 4.437 ( -1.791 7.088 6.358) 9.688 4.527 ( -4.013 -9.685 -1.830) 10.642 5.130 ( 13.534 10.815 -1.812) 17.419 5.267 ( 13.790 11.207 -4.666) 18.372 5.336 ( 11.274 0.126 2.361) 11.519 5.410 ( 11.455 -4.930 0.479) 12.480 5.631 ( 7.137 0.586 -7.423) 10.314 5.715 ( 0.396 7.423 -7.573) 10.612 5.857 ( 0.486 5.384 -0.601) 5.440 5.925 ( -2.555 1.379 -3.024) 4.192 6.126 ( -1.211 1.521 1.889) 2.711 6.245 ( -7.738 -0.185 -1.445) 7.874 6.435 ( -0.233 -6.917 -2.046) 7.217 6.535 ( -5.336 -1.400 -4.449) 7.087 6.983 ( 5.734 -2.214 0.811) 6.200 7.188 ( -2.376 -13.463 -8.354) 16.022 8.093 ( -3.169 17.634 -0.292) 17.919 8.123 ( -5.988 4.795 -2.283) 8.004 8.748 ( -4.695 7.493 -2.381) 9.157 8.982 ( -10.800 9.598 -9.985) 17.563 9.171 ( 12.549 -5.441 0.446) 13.685 9.327 ( 7.888 -11.053 -5.974) 14.835 9.541 ( -5.098 -9.370 0.911) 10.706 9.673 ( -4.142 -8.255 -4.165) 10.132 10.561 ( 1.424 3.446 1.930) 4.198 10.615 ( -0.734 3.473 -0.319) 3.564 11.025 ( 1.180 -2.056 6.951) 7.345 11.140 ( -4.426 1.366 7.750) 9.029 11.326 ( 4.081 -3.260 -5.200) 7.370 11.435 ( -3.417 -0.564 -3.613) 5.004 11.687 ( 2.932 0.137 -1.123) 3.142 11.739 ( 1.325 -4.509 -1.699) 4.998 11.925 ( 3.470 -8.060 4.486) 9.856 12.103 ( 6.025 -9.184 -2.874) 11.354 12.274 ( -12.179 -0.447 3.453) 12.667 12.432 ( -8.447 -4.767 -2.337) 9.977 13.137 ( 7.623 4.205 7.651) 11.590 13.286 ( 2.055 4.677 1.676) 5.376 13.577 ( 1.321 -13.060 3.057) 13.478 13.650 ( -0.846 -10.078 0.824) 10.147 15.272 ( 3.112 12.809 1.576) 13.276 15.455 ( -4.819 14.657 -7.162) 17.010 15.901 ( 3.697 -3.573 4.153) 6.609 16.078 ( -4.578 -3.481 -3.874) 6.934 23.521 ( -0.509 0.380 1.939) 2.040 23.568 ( -2.526 1.122 0.527) 2.814 23.623 ( 2.932 -2.353 -0.055) 3.760 23.723 ( -2.228 -3.123 -3.139) 4.957 24.714 ( 7.140 1.794 4.475) 8.615 24.780 ( 5.548 0.888 1.436) 5.800 25.059 ( -3.592 -1.407 0.806) 3.941 25.105 ( -4.036 -1.874 -1.776) 4.791 26.752 ( 0.612 -0.023 3.304) 3.360 26.767 ( 0.156 -0.727 2.140) 2.266 26.970 ( 1.730 -6.830 4.485) 8.352 27.070 ( -3.126 -8.584 0.858) 9.176 27.401 ( 3.819 6.850 -1.701) 8.024 27.437 ( 2.712 5.141 -2.236) 6.228 27.739 ( -2.597 2.569 -1.003) 3.788 27.772 ( -4.344 1.891 -2.389) 5.306 ======================= Grid point 213 (76/96) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -11.988 7.003 4.781) 14.684 2.659 ( 11.988 7.003 4.781) 14.684 2.828 ( -8.502 1.942 6.214) 10.708 2.828 ( 8.502 1.942 6.214) 10.708 3.216 ( -7.369 -7.441 4.971) 11.593 3.216 ( 7.369 -7.441 4.971) 11.593 3.446 ( -4.606 -6.594 -5.981) 10.023 3.446 ( 4.606 -6.594 -5.981) 10.023 4.119 ( -2.774 0.732 7.135) 7.691 4.119 ( 2.774 0.732 7.135) 7.691 4.371 ( -3.565 6.442 5.905) 9.438 4.371 ( 3.565 6.442 5.905) 9.438 4.456 ( -3.558 -1.531 -1.911) 4.320 4.456 ( 3.558 -1.531 -1.911) 4.320 5.341 ( -6.680 11.863 -2.004) 13.761 5.341 ( 6.680 11.863 -2.004) 13.761 5.487 ( -3.294 -1.694 2.956) 4.739 5.487 ( 3.294 -1.694 2.956) 4.739 5.733 ( -0.830 0.803 -11.051) 11.111 5.733 ( 0.830 0.803 -11.051) 11.111 5.856 ( -3.129 8.088 -2.523) 9.032 5.856 ( 3.129 8.088 -2.523) 9.032 6.156 ( -2.720 4.920 2.976) 6.361 6.156 ( 2.720 4.920 2.976) 6.361 6.431 ( -3.292 -5.026 -1.742) 6.256 6.431 ( 3.292 -5.026 -1.742) 6.256 7.110 ( -6.480 -12.933 -4.393) 15.118 7.110 ( 6.480 -12.933 -4.393) 15.118 8.058 ( -1.061 12.230 -0.122) 12.276 8.058 ( 1.061 12.230 -0.122) 12.276 8.788 ( -8.375 7.936 -7.987) 14.033 8.788 ( 8.375 7.936 -7.987) 14.033 9.388 ( -10.078 -10.438 0.416) 14.515 9.388 ( 10.078 -10.438 0.416) 14.515 9.522 ( -10.713 -9.299 -5.478) 15.207 9.522 ( 10.713 -9.299 -5.478) 15.207 10.593 ( -1.696 4.856 0.931) 5.227 10.593 ( 1.696 4.856 0.931) 5.227 11.067 ( -3.302 1.788 7.969) 8.809 11.067 ( 3.302 1.788 7.969) 8.809 11.381 ( -2.407 -2.229 -3.250) 4.618 11.381 ( 2.407 -2.229 -3.250) 4.618 11.744 ( -2.115 -1.903 -4.130) 5.016 11.744 ( 2.115 -1.903 -4.130) 5.016 12.026 ( -8.511 -3.186 4.668) 10.217 12.026 ( 8.511 -3.186 4.668) 10.217 12.278 ( -7.755 -9.680 -2.315) 12.618 12.278 ( 7.755 -9.680 -2.315) 12.618 13.258 ( -4.739 3.599 5.394) 8.032 13.258 ( 4.739 3.599 5.394) 8.032 13.616 ( -2.519 -10.886 1.910) 11.336 13.616 ( 2.519 -10.886 1.910) 11.336 15.354 ( -5.528 15.361 -2.557) 16.525 15.354 ( 5.528 15.361 -2.557) 16.525 15.986 ( -5.139 -4.471 -0.228) 6.815 15.986 ( 5.139 -4.471 -0.228) 6.815 23.529 ( -1.416 1.082 1.296) 2.203 23.529 ( 1.416 1.082 1.296) 2.203 23.677 ( -2.746 -3.002 -2.074) 4.567 23.677 ( 2.746 -3.002 -2.074) 4.567 24.818 ( -2.763 2.413 3.087) 4.794 24.818 ( 2.763 2.413 3.087) 4.794 25.035 ( -2.233 -2.641 -0.596) 3.509 25.035 ( 2.233 -2.641 -0.596) 3.509 26.764 ( -0.518 -0.681 2.619) 2.755 26.764 ( 0.518 -0.681 2.619) 2.755 27.013 ( -2.894 -8.037 2.867) 9.011 27.013 ( 2.894 -8.037 2.867) 9.011 27.456 ( -1.241 7.553 -2.339) 8.004 27.456 ( 1.241 7.553 -2.339) 8.004 27.716 ( -0.934 1.178 -1.268) 1.967 27.716 ( 0.934 1.178 -1.268) 1.967 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.000 4.263 14.670) 15.277 2.701 ( 0.000 -0.321 11.871) 11.875 3.134 ( 0.000 6.210 1.582) 6.408 3.198 ( 0.000 -0.431 -5.156) 5.174 3.305 ( 0.000 -2.224 2.043) 3.020 3.390 ( 0.000 -6.442 4.556) 7.891 3.844 ( 0.000 -1.354 3.784) 4.019 3.864 ( 0.000 -5.577 -3.166) 6.413 4.033 ( 0.000 1.612 11.875) 11.984 4.069 ( 0.000 -2.382 5.197) 5.717 4.210 ( 0.000 5.760 6.983) 9.052 4.330 ( 0.000 -5.006 -0.811) 5.071 4.570 ( 0.000 11.840 4.779) 12.768 4.699 ( 0.000 4.015 6.871) 7.958 4.917 ( 0.000 0.921 -2.331) 2.506 4.930 ( 0.000 2.345 -3.764) 4.435 5.075 ( 0.000 9.620 -6.280) 11.489 5.192 ( 0.000 1.935 -8.038) 8.267 5.371 ( 0.000 -2.430 -9.244) 9.558 5.425 ( 0.000 -7.585 -9.444) 12.113 5.821 ( 0.000 0.440 3.708) 3.734 5.956 ( 0.000 -13.383 -3.011) 13.718 6.082 ( 0.000 2.966 3.827) 4.842 6.143 ( 0.000 -1.717 1.649) 2.380 6.574 ( 0.000 0.830 -2.638) 2.766 6.594 ( 0.000 -0.829 -4.277) 4.356 7.020 ( 0.000 5.024 -4.935) 7.043 7.132 ( 0.000 -4.736 -10.603) 11.613 8.503 ( 0.000 15.404 -2.669) 15.633 8.526 ( 0.000 13.979 -0.552) 13.990 8.796 ( 0.000 -8.705 2.677) 9.107 8.889 ( 0.000 -16.761 -3.783) 17.182 9.279 ( 0.000 8.505 0.599) 8.526 9.408 ( 0.000 1.362 -8.650) 8.757 9.516 ( 0.000 -0.015 3.182) 3.182 9.537 ( 0.000 1.322 -1.954) 2.359 10.552 ( 0.000 -1.696 0.198) 1.707 10.573 ( 0.000 -4.466 -0.360) 4.481 10.939 ( 0.000 -1.642 0.906) 1.875 10.958 ( 0.000 -2.673 -0.373) 2.699 11.450 ( 0.000 4.457 0.673) 4.508 11.519 ( 0.000 0.090 -3.188) 3.189 11.577 ( 0.000 -4.257 0.882) 4.348 11.601 ( 0.000 -9.422 1.910) 9.614 11.671 ( 0.000 -1.616 -0.129) 1.621 11.674 ( 0.000 -2.792 0.898) 2.933 12.773 ( 0.000 6.575 6.876) 9.514 12.849 ( 0.000 1.187 3.604) 3.795 13.031 ( 0.000 5.273 5.246) 7.438 13.141 ( 0.000 -1.515 0.986) 1.808 13.365 ( 0.000 -5.337 -2.159) 5.757 13.402 ( 0.000 -6.225 -3.170) 6.985 15.400 ( 0.000 7.055 4.820) 8.544 15.526 ( 0.000 -4.323 2.503) 4.995 15.990 ( 0.000 6.867 -5.968) 9.098 16.107 ( 0.000 -4.116 -7.820) 8.837 23.528 ( 0.000 -0.271 1.872) 1.892 23.535 ( 0.000 -0.898 2.313) 2.481 23.663 ( 0.000 1.909 -0.376) 1.946 23.714 ( 0.000 -2.856 -1.827) 3.390 24.578 ( 0.000 2.027 4.064) 4.541 24.613 ( 0.000 -1.160 2.434) 2.696 25.138 ( 0.000 0.185 0.278) 0.334 25.153 ( 0.000 -1.232 -0.837) 1.489 26.758 ( 0.000 0.784 4.049) 4.124 26.775 ( 0.000 0.195 4.812) 4.816 26.886 ( 0.000 0.980 2.005) 2.232 26.978 ( 0.000 -6.539 -0.453) 6.555 27.388 ( 0.000 1.777 -1.496) 2.323 27.394 ( 0.000 1.115 -1.475) 1.849 27.875 ( 0.000 2.341 -1.873) 2.998 27.903 ( 0.000 -0.211 -3.201) 3.208 ======================= Grid point 218 (78/96) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 2.410 3.562 13.567) 14.232 2.703 ( 0.495 1.766 10.547) 10.705 3.050 ( -6.917 4.598 3.242) 8.916 3.136 ( -6.372 -1.838 -2.760) 7.183 3.275 ( -2.829 -2.489 0.344) 3.784 3.313 ( -7.355 -3.435 2.288) 8.434 3.614 ( -18.910 -2.943 -0.533) 19.145 3.656 ( -13.400 -4.140 -0.959) 14.058 4.112 ( 3.444 3.394 11.772) 12.727 4.166 ( -2.085 4.553 6.715) 8.377 4.190 ( 3.168 -3.765 6.903) 8.477 4.305 ( -2.981 -9.132 3.986) 10.400 4.650 ( 7.921 14.298 2.122) 16.483 4.769 ( 7.202 10.611 2.685) 13.102 4.988 ( 7.924 -3.655 -1.018) 8.786 5.024 ( 9.088 -0.050 -0.614) 9.109 5.239 ( 7.943 7.164 -8.009) 13.363 5.263 ( 13.957 8.782 -9.266) 18.915 5.425 ( 4.964 -3.790 -6.747) 9.194 5.539 ( 10.673 -9.750 -10.405) 17.811 5.858 ( 4.291 1.406 3.558) 5.749 5.989 ( 4.273 -9.508 -2.286) 10.672 6.083 ( -0.817 3.049 2.724) 4.169 6.157 ( 2.456 -2.124 -0.506) 3.287 6.494 ( -7.731 1.510 -0.758) 7.914 6.552 ( -4.815 -3.428 -3.352) 6.795 7.004 ( -2.227 4.072 -4.544) 6.495 7.104 ( -3.649 -4.961 -9.365) 11.209 8.437 ( -6.356 15.951 -1.217) 17.213 8.532 ( -0.320 15.964 -2.541) 16.168 8.805 ( -2.987 -13.472 -2.276) 13.985 8.838 ( 2.091 -13.912 -0.433) 14.075 9.222 ( -5.974 9.408 2.643) 11.453 9.407 ( -6.500 9.359 -4.809) 12.368 9.432 ( -2.454 -7.944 0.123) 8.315 9.555 ( 0.248 -4.435 -4.636) 6.421 10.573 ( 3.239 1.076 0.985) 3.552 10.618 ( 4.034 -2.006 -0.422) 4.525 10.943 ( 0.075 -1.882 1.074) 2.169 10.975 ( 2.019 -5.778 0.367) 6.132 11.424 ( -1.666 7.279 1.232) 7.568 11.522 ( 0.061 3.847 -2.753) 4.731 11.606 ( -0.371 -8.653 3.475) 9.332 11.651 ( 6.082 -3.242 0.576) 6.917 11.668 ( -0.291 -3.215 -0.287) 3.241 11.727 ( 6.825 -6.835 -1.520) 9.778 12.619 ( -13.629 2.860 2.275) 14.111 12.637 ( -16.700 1.460 1.079) 16.799 13.109 ( 6.117 5.804 7.494) 11.281 13.258 ( 6.912 -5.255 5.897) 10.496 13.359 ( 1.197 0.195 -2.755) 3.010 13.458 ( 3.516 -6.455 -1.915) 7.596 15.429 ( 3.222 8.022 3.989) 9.521 15.563 ( 3.802 -3.782 0.939) 5.444 15.951 ( -4.082 6.411 -4.829) 9.005 16.072 ( -3.715 -4.613 -7.175) 9.304 23.531 ( 0.081 0.029 1.864) 1.866 23.543 ( 1.105 -1.100 1.530) 2.184 23.645 ( -1.794 1.923 -0.422) 2.664 23.696 ( -1.763 -2.824 -1.954) 3.860 24.631 ( 5.439 1.967 3.892) 6.972 24.664 ( 5.293 -1.032 2.323) 5.872 25.113 ( -2.693 0.224 0.558) 2.760 25.131 ( -2.462 -1.362 -0.614) 2.880 26.759 ( 0.103 0.866 3.792) 3.891 26.776 ( 0.242 0.328 4.117) 4.137 26.876 ( -1.079 0.080 2.261) 2.506 26.958 ( -2.057 -6.387 -0.033) 6.710 27.424 ( 3.771 2.284 -1.393) 4.623 27.433 ( 3.914 1.290 -1.478) 4.379 27.847 ( -2.976 2.007 -1.792) 4.012 27.870 ( -3.403 -0.154 -2.908) 4.479 ======================= Grid point 219 (79/96) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 2.478 5.270 10.236) 11.776 2.757 ( 5.424 2.030 5.893) 8.262 2.928 ( -6.524 3.118 3.029) 7.840 3.009 ( -6.981 -3.101 -2.246) 7.962 3.164 ( -6.970 3.298 2.622) 8.145 3.208 ( -4.968 -3.915 3.495) 7.226 3.314 ( -10.638 -3.193 2.067) 11.297 3.425 ( -10.905 -8.168 -2.354) 13.827 4.109 ( -0.831 3.332 8.382) 9.058 4.145 ( -1.434 1.216 7.262) 7.502 4.210 ( -0.119 -4.739 5.708) 7.420 4.244 ( -2.808 -9.482 6.758) 11.977 4.790 ( 6.037 20.011 -1.177) 20.935 4.874 ( 2.572 20.669 -2.413) 20.968 5.167 ( 9.469 -13.297 -0.649) 16.337 5.219 ( 9.554 -8.561 0.890) 12.860 5.395 ( 10.326 8.047 -4.291) 13.776 5.519 ( 7.397 6.577 -3.291) 10.431 5.561 ( 11.563 -3.089 -8.337) 14.585 5.700 ( 4.625 -6.439 -8.935) 11.945 5.976 ( 7.137 4.196 3.510) 8.992 6.048 ( -0.952 1.909 3.109) 3.770 6.153 ( 13.141 6.333 -4.108) 15.154 6.224 ( 0.685 -0.102 -2.464) 2.559 6.331 ( -8.471 -1.432 2.414) 8.924 6.466 ( 0.191 -8.333 -5.961) 10.247 6.893 ( -11.340 -0.881 -4.881) 12.378 6.983 ( -9.114 -7.047 -8.323) 14.213 8.348 ( -1.270 15.884 1.369) 15.993 8.502 ( -2.170 16.578 -3.177) 17.018 8.733 ( -3.435 -9.589 2.412) 10.467 8.910 ( -0.743 -14.454 -2.722) 14.727 9.146 ( 1.311 5.000 0.074) 5.169 9.254 ( -4.167 1.303 -2.083) 4.837 9.388 ( -4.495 -2.329 -4.114) 6.523 9.502 ( -6.233 -7.872 -6.184) 11.793 10.668 ( 6.073 6.368 1.310) 8.897 10.704 ( 4.744 4.105 0.338) 6.282 10.944 ( 0.217 -4.314 2.989) 5.252 11.005 ( 0.164 -9.761 1.987) 9.962 11.411 ( 0.566 8.500 0.617) 8.541 11.503 ( -2.427 6.374 -1.771) 7.047 11.598 ( 0.418 -7.922 2.841) 8.427 11.658 ( -1.023 -6.365 -1.217) 6.560 11.796 ( 9.812 -0.115 0.803) 9.845 11.892 ( 10.353 -8.206 -2.713) 13.486 12.307 ( -17.415 2.268 -0.106) 17.563 12.359 ( -14.697 -2.653 -1.721) 15.034 13.228 ( 6.609 4.756 7.263) 10.911 13.354 ( 4.529 -6.774 6.761) 10.588 13.387 ( 0.218 3.564 0.362) 3.589 13.490 ( -0.491 -5.756 0.873) 5.843 15.519 ( 6.363 10.050 1.460) 11.984 15.651 ( 4.852 0.657 -2.959) 5.721 15.855 ( -5.303 2.470 -1.513) 6.042 15.976 ( -6.429 -6.042 -5.285) 10.285 23.537 ( 0.761 1.194 1.212) 1.864 23.572 ( 1.908 -1.979 0.007) 2.749 23.604 ( -2.401 1.925 -0.127) 3.080 23.657 ( -2.342 -2.922 -1.857) 4.179 24.759 ( 7.821 2.159 3.342) 8.775 24.789 ( 7.593 -0.397 1.865) 7.829 25.040 ( -5.179 -0.024 1.285) 5.336 25.062 ( -4.975 -1.883 -0.007) 5.320 26.765 ( 0.622 1.365 3.161) 3.499 26.784 ( 0.422 1.390 2.602) 2.980 26.855 ( -0.774 -2.798 2.856) 4.073 26.911 ( -2.818 -6.066 0.981) 6.760 27.517 ( 5.935 3.334 -1.383) 6.947 27.525 ( 5.704 2.423 -1.460) 6.367 27.771 ( -4.978 0.808 -1.602) 5.291 27.785 ( -5.598 -0.394 -2.200) 6.028 ======================= Grid point 220 (80/96) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -7.326 5.326 5.122) 10.405 2.793 ( 7.326 5.325 5.122) 10.405 2.877 ( -7.149 -0.402 -1.129) 7.249 2.877 ( 7.149 -0.402 -1.129) 7.249 3.116 ( -1.882 2.040 8.717) 9.148 3.116 ( 1.882 2.040 8.717) 9.148 3.278 ( -4.383 -9.375 -1.576) 10.468 3.278 ( 4.383 -9.375 -1.576) 10.468 4.115 ( -1.326 1.713 6.917) 7.248 4.115 ( 1.326 1.713 6.917) 7.248 4.212 ( -0.741 -7.331 5.916) 9.450 4.212 ( 0.741 -7.331 5.916) 9.450 4.868 ( -2.555 22.479 -2.926) 22.812 4.868 ( 2.555 22.479 -2.926) 22.812 5.283 ( -2.327 -15.472 -1.616) 15.730 5.283 ( 2.327 -15.472 -1.616) 15.730 5.567 ( -5.014 8.538 -2.553) 10.225 5.567 ( 5.014 8.538 -2.553) 10.225 5.699 ( -3.811 -3.841 -4.853) 7.268 5.699 ( 3.811 -3.841 -4.853) 7.268 6.062 ( -1.918 7.963 0.575) 8.211 6.062 ( 1.918 7.963 0.575) 8.211 6.181 ( -4.198 -3.467 4.738) 7.217 6.181 ( 4.198 -3.467 4.738) 7.217 6.464 ( -14.617 10.545 -7.076) 19.363 6.464 ( 14.617 10.545 -7.076) 19.363 6.781 ( -9.430 -16.834 -8.970) 21.279 6.781 ( 9.430 -16.834 -8.970) 21.279 8.412 ( -6.937 19.138 3.050) 20.583 8.412 ( 6.937 19.138 3.050) 20.583 8.775 ( -8.659 -11.758 -0.855) 14.627 8.775 ( 8.659 -11.758 -0.855) 14.627 9.245 ( -5.569 1.073 -3.655) 6.748 9.245 ( 5.570 1.073 -3.655) 6.748 9.355 ( -7.307 -7.047 -5.225) 11.417 9.355 ( 7.307 -7.047 -5.225) 11.417 10.747 ( -1.337 9.638 0.724) 9.757 10.747 ( 1.337 9.638 0.724) 9.757 10.971 ( -2.846 -9.840 4.184) 11.065 10.971 ( 2.846 -9.840 4.184) 11.065 11.447 ( -3.026 7.456 -0.707) 8.078 11.447 ( 3.026 7.456 -0.707) 8.078 11.627 ( -2.204 -8.312 0.357) 8.607 11.627 ( 2.204 -8.312 0.357) 8.607 12.014 ( -13.826 2.130 -0.083) 13.989 12.014 ( 13.826 2.130 -0.083) 13.989 12.104 ( -12.543 -6.272 -2.986) 14.338 12.104 ( 12.543 -6.272 -2.986) 14.338 13.338 ( -4.834 4.089 5.130) 8.149 13.338 ( 4.834 4.089 5.130) 8.149 13.442 ( -4.253 -6.032 3.589) 8.207 13.442 ( 4.253 -6.032 3.589) 8.207 15.644 ( -6.111 11.846 -2.662) 13.593 15.644 ( 6.111 11.846 -2.662) 13.593 15.855 ( -5.725 -8.011 -1.786) 10.007 15.855 ( 5.725 -8.011 -1.786) 10.007 23.561 ( -1.865 1.993 0.191) 2.737 23.561 ( 1.865 1.993 0.191) 2.737 23.613 ( -2.315 -2.856 -0.988) 3.807 23.613 ( 2.315 -2.856 -0.988) 3.807 24.885 ( -2.729 3.713 2.264) 5.134 24.885 ( 2.729 3.713 2.264) 5.134 24.966 ( -2.526 -3.750 1.037) 4.639 24.966 ( 2.526 -3.750 1.037) 4.639 26.780 ( -0.843 2.330 2.341) 3.409 26.780 ( 0.843 2.330 2.341) 3.409 26.864 ( -1.859 -5.621 2.330) 6.363 26.864 ( 1.859 -5.621 2.330) 6.363 27.605 ( -0.442 6.009 -1.641) 6.245 27.605 ( 0.442 6.009 -1.641) 6.245 27.699 ( -0.559 -2.751 -1.457) 3.163 27.699 ( 0.559 -2.751 -1.457) 3.163 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 0.000 0.000 -16.056) 16.056 2.845 ( 0.000 0.000 16.056) 16.056 3.181 ( 0.000 0.000 -29.357) 29.357 3.181 ( 0.000 0.000 29.357) 29.357 3.375 ( 0.000 0.000 -2.753) 2.753 3.375 ( 0.000 0.000 2.753) 2.753 3.702 ( 0.000 0.000 -0.821) 0.821 3.702 ( 0.000 0.000 0.821) 0.821 4.026 ( 0.000 0.000 -1.293) 1.293 4.026 ( 0.000 0.000 1.293) 1.293 4.167 ( 0.000 0.000 -19.547) 19.547 4.167 ( 0.000 0.000 19.547) 19.547 4.424 ( 0.000 0.000 -5.820) 5.820 4.424 ( 0.000 0.000 5.820) 5.820 4.924 ( 0.000 0.000 -4.440) 4.440 4.924 ( 0.000 0.000 4.440) 4.440 5.153 ( 0.000 0.000 -2.095) 2.095 5.153 ( 0.000 0.000 2.095) 2.095 5.361 ( 0.000 0.000 -0.131) 0.131 5.361 ( 0.000 0.000 0.131) 0.131 6.193 ( 0.000 0.000 -6.983) 6.983 6.193 ( 0.000 0.000 6.983) 6.983 6.433 ( 0.000 0.000 -18.673) 18.673 6.433 ( 0.000 0.000 18.673) 18.673 6.494 ( 0.000 0.000 -1.850) 1.850 6.494 ( 0.000 0.000 1.850) 1.850 6.524 ( 0.000 0.000 -9.313) 9.313 6.524 ( 0.000 0.000 9.313) 9.313 8.393 ( 0.000 0.000 -11.278) 11.278 8.393 ( 0.000 0.000 11.278) 11.278 8.584 ( 0.000 0.000 -7.630) 7.630 8.584 ( 0.000 0.000 7.630) 7.630 8.950 ( 0.000 0.000 -6.591) 6.591 8.950 ( 0.000 0.000 6.591) 6.591 9.938 ( 0.000 0.000 -2.970) 2.970 9.938 ( 0.000 0.000 2.970) 2.970 10.492 ( 0.000 0.000 -1.165) 1.165 10.492 ( 0.000 0.000 1.165) 1.165 11.270 ( 0.000 0.000 -0.701) 0.701 11.270 ( 0.000 0.000 0.701) 0.701 11.510 ( 0.000 0.000 -6.791) 6.791 11.510 ( 0.000 0.000 6.791) 6.791 11.927 ( 0.000 0.000 -10.720) 10.720 11.927 ( 0.000 0.000 10.720) 10.720 12.049 ( 0.000 0.000 -2.086) 2.086 12.049 ( 0.000 0.000 2.086) 2.086 12.609 ( 0.000 0.000 -5.567) 5.567 12.609 ( 0.000 0.000 5.567) 5.567 12.761 ( 0.000 0.000 -5.153) 5.153 12.761 ( 0.000 0.000 5.153) 5.153 14.161 ( 0.000 0.000 -14.412) 14.412 14.161 ( 0.000 0.000 14.412) 14.412 14.950 ( 0.000 0.000 -3.950) 3.950 14.950 ( 0.000 0.000 3.950) 3.950 16.063 ( 0.000 0.000 -8.958) 8.958 16.063 ( 0.000 0.000 8.958) 8.958 23.578 ( 0.000 0.000 -0.487) 0.487 23.578 ( 0.000 0.000 0.487) 0.487 23.764 ( 0.000 0.000 -5.651) 5.651 23.764 ( 0.000 0.000 5.651) 5.651 24.596 ( 0.000 0.000 -3.669) 3.669 24.596 ( 0.000 0.000 3.669) 3.669 25.173 ( 0.000 0.000 -1.529) 1.529 25.173 ( 0.000 0.000 1.529) 1.529 26.777 ( 0.000 0.000 -1.626) 1.626 26.777 ( 0.000 0.000 1.626) 1.626 27.150 ( 0.000 0.000 -2.185) 2.185 27.150 ( 0.000 0.000 2.185) 2.185 27.369 ( 0.000 0.000 -3.943) 3.943 27.369 ( 0.000 0.000 3.943) 3.943 27.669 ( 0.000 0.000 -3.888) 3.888 27.669 ( 0.000 0.000 3.888) 3.888 ======================= Grid point 247 (82/96) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 0.930 0.000 -13.833) 13.864 2.855 ( 0.930 0.000 13.833) 13.864 2.986 ( -17.654 0.000 -27.877) 32.996 2.986 ( -17.654 0.000 27.877) 32.996 3.392 ( 1.886 0.000 -3.540) 4.011 3.392 ( 1.886 0.000 3.540) 4.011 3.677 ( -2.549 0.000 -4.002) 4.745 3.677 ( -2.549 0.000 4.002) 4.745 3.831 ( -8.799 0.000 -4.066) 9.693 3.831 ( -8.799 0.000 4.066) 9.693 4.483 ( 6.187 0.000 -5.697) 8.411 4.483 ( 6.187 0.000 5.697) 8.411 4.485 ( 17.000 0.000 -12.450) 21.072 4.485 ( 17.000 0.000 12.450) 21.072 4.958 ( 5.720 0.000 -4.682) 7.392 4.958 ( 5.720 0.000 4.682) 7.392 5.144 ( -1.085 0.000 -1.980) 2.257 5.144 ( -1.085 0.000 1.980) 2.257 5.387 ( 3.228 0.000 -2.814) 4.283 5.387 ( 3.228 0.000 2.814) 4.283 5.960 ( -16.442 0.000 -2.208) 16.589 5.960 ( -16.442 0.000 2.208) 16.589 6.311 ( -8.750 0.000 -8.595) 12.265 6.311 ( -8.750 0.000 8.595) 12.265 6.561 ( 2.798 0.000 -5.225) 5.927 6.561 ( 2.798 0.000 5.225) 5.927 6.801 ( 21.395 0.000 -14.032) 25.586 6.801 ( 21.395 0.000 14.032) 25.586 8.297 ( -10.192 0.000 -13.873) 17.215 8.297 ( -10.192 0.000 13.873) 17.215 8.530 ( -5.850 0.000 -6.868) 9.021 8.530 ( -5.850 0.000 6.868) 9.021 9.060 ( 11.991 0.000 -6.966) 13.868 9.060 ( 11.991 0.000 6.966) 13.868 9.932 ( -0.998 0.000 -2.374) 2.575 9.932 ( -0.998 0.000 2.374) 2.575 10.505 ( 1.371 0.000 -1.033) 1.717 10.505 ( 1.371 0.000 1.033) 1.717 11.247 ( -5.182 0.000 -3.838) 6.448 11.247 ( -5.182 0.000 3.838) 6.448 11.467 ( -0.995 0.000 -7.502) 7.568 11.467 ( -0.995 0.000 7.502) 7.568 11.834 ( -8.182 0.000 -8.532) 11.821 11.834 ( -8.182 0.000 8.532) 11.821 12.084 ( 3.279 0.000 -2.428) 4.080 12.084 ( 3.279 0.000 2.428) 4.080 12.602 ( -1.096 0.000 -5.489) 5.597 12.602 ( -1.096 0.000 5.489) 5.597 12.885 ( 11.358 0.000 -5.740) 12.727 12.885 ( 11.358 0.000 5.740) 12.727 14.150 ( -1.011 0.000 -12.419) 12.460 14.150 ( -1.011 0.000 12.419) 12.460 14.910 ( -4.005 0.000 -3.587) 5.376 14.910 ( -4.005 0.000 3.587) 5.376 16.071 ( 0.700 0.000 -7.571) 7.603 16.071 ( 0.700 0.000 7.571) 7.603 23.577 ( -0.374 0.000 -0.963) 1.033 23.577 ( -0.374 0.000 0.963) 1.033 23.738 ( -2.094 0.000 -5.627) 6.004 23.738 ( -2.094 0.000 5.627) 6.004 24.651 ( 5.374 0.000 -3.143) 6.226 24.651 ( 5.374 0.000 3.143) 6.226 25.150 ( -2.395 0.000 -1.429) 2.789 25.150 ( -2.395 0.000 1.429) 2.789 26.802 ( 2.492 0.000 -1.471) 2.894 26.802 ( 2.492 0.000 1.471) 2.894 27.151 ( 0.062 0.000 -1.909) 1.910 27.151 ( 0.062 0.000 1.909) 1.910 27.368 ( -0.071 0.000 -3.432) 3.433 27.368 ( -0.071 0.000 3.432) 3.433 27.646 ( -2.370 0.000 -3.352) 4.105 27.646 ( -2.370 0.000 3.352) 4.105 ======================= Grid point 249 (83/96) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -13.927 0.000 -17.581) 22.429 2.671 ( -13.927 0.000 17.581) 22.429 2.873 ( 0.798 0.000 -7.838) 7.878 2.873 ( 0.798 0.000 7.838) 7.878 3.441 ( 3.227 0.000 -5.141) 6.070 3.441 ( 3.227 0.000 5.141) 6.070 3.617 ( -3.702 0.000 -5.956) 7.013 3.617 ( -3.702 0.000 5.956) 7.013 3.714 ( -4.353 0.000 -3.056) 5.319 3.714 ( -4.353 0.000 3.056) 5.319 4.632 ( 9.051 0.000 -4.510) 10.112 4.632 ( 9.051 0.000 4.510) 10.112 4.636 ( 1.765 0.000 -1.625) 2.400 4.636 ( 1.765 0.000 1.625) 2.400 5.103 ( -3.625 0.000 -3.927) 5.344 5.103 ( -3.625 0.000 3.927) 5.344 5.134 ( 8.575 0.000 -10.435) 13.506 5.134 ( 8.575 0.000 10.435) 13.506 5.517 ( 11.886 0.000 -2.777) 12.206 5.517 ( 11.886 0.000 2.777) 12.206 5.696 ( -10.973 0.000 -2.171) 11.186 5.696 ( -10.973 0.000 2.171) 11.186 6.141 ( -9.602 0.000 -3.959) 10.386 6.141 ( -9.602 0.000 3.959) 10.386 6.579 ( -0.448 0.000 -3.265) 3.296 6.579 ( -0.448 0.000 3.265) 3.296 7.216 ( 23.083 0.000 -17.871) 29.192 7.216 ( 23.083 0.000 17.871) 29.192 8.034 ( -17.728 0.000 -17.613) 24.990 8.034 ( -17.728 0.000 17.613) 24.990 8.402 ( -6.608 0.000 -4.995) 8.283 8.402 ( -6.608 0.000 4.995) 8.283 9.349 ( 17.519 0.000 -5.899) 18.486 9.349 ( 17.519 0.000 5.899) 18.486 9.882 ( -4.979 0.000 -1.462) 5.189 9.882 ( -4.979 0.000 1.462) 5.189 10.534 ( 1.416 0.000 -0.665) 1.564 10.534 ( 1.416 0.000 0.665) 1.564 11.074 ( -10.439 0.000 -1.846) 10.601 11.074 ( -10.439 0.000 1.846) 10.601 11.516 ( 4.102 0.000 -4.101) 5.800 11.516 ( 4.102 0.000 4.101) 5.800 11.692 ( -6.153 0.000 -4.529) 7.639 11.692 ( -6.153 0.000 4.529) 7.639 12.154 ( 3.868 0.000 -2.551) 4.634 12.154 ( 3.868 0.000 2.551) 4.634 12.562 ( -3.040 0.000 -4.309) 5.274 12.562 ( -3.040 0.000 4.309) 5.274 13.096 ( 9.779 0.000 -4.370) 10.711 13.096 ( 9.779 0.000 4.370) 10.711 14.131 ( -0.884 0.000 -7.071) 7.126 14.131 ( -0.884 0.000 7.071) 7.126 14.825 ( -4.475 0.000 -2.454) 5.104 14.825 ( -4.475 0.000 2.454) 5.104 16.084 ( 0.653 0.000 -4.177) 4.228 16.084 ( 0.653 0.000 4.177) 4.228 23.557 ( -1.517 0.000 -1.367) 2.042 23.557 ( -1.517 0.000 1.367) 2.042 23.714 ( -0.334 0.000 -3.729) 3.744 23.714 ( -0.334 0.000 3.729) 3.744 24.760 ( 5.516 0.000 -2.039) 5.881 24.760 ( 5.516 0.000 2.039) 5.881 25.095 ( -3.124 0.000 -1.193) 3.344 25.095 ( -3.124 0.000 1.193) 3.344 26.855 ( 2.756 0.000 -0.921) 2.906 26.855 ( 2.756 0.000 0.921) 2.906 27.152 ( 0.063 0.000 -1.123) 1.125 27.152 ( 0.063 0.000 1.123) 1.125 27.367 ( -0.072 0.000 -2.001) 2.003 27.367 ( -0.072 0.000 2.001) 2.003 27.595 ( -2.673 0.000 -1.922) 3.292 27.595 ( -2.673 0.000 1.922) 3.292 ======================= Grid point 251 (84/96) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.880 ( -0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.487 ( -0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.567 ( -0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.744 ( -0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 5.045 ( -0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.203 ( -0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.591 ( -0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.700 ( -0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 7.572 ( -0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.727 ( -0.000 0.000 -0.000) 0.000 7.727 ( 0.000 0.000 -0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 9.582 ( -0.000 0.000 0.000) 0.000 9.582 ( 0.000 0.000 0.000) 0.000 9.780 ( -0.000 0.000 0.000) 0.000 9.780 ( 0.000 0.000 0.000) 0.000 10.548 ( -0.000 0.000 0.000) 0.000 10.548 ( 0.000 0.000 0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 11.560 ( -0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.633 ( -0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 13.194 ( -0.000 0.000 0.000) 0.000 13.194 ( 0.000 0.000 0.000) 0.000 14.123 ( -0.000 0.000 0.000) 0.000 14.123 ( 0.000 0.000 0.000) 0.000 14.778 ( -0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 16.091 ( -0.000 0.000 0.000) 0.000 16.091 ( 0.000 0.000 0.000) 0.000 23.540 ( 0.000 0.000 0.000) 0.000 23.540 ( -0.000 0.000 0.000) 0.000 23.714 ( -0.000 0.000 0.000) 0.000 23.714 ( 0.000 0.000 0.000) 0.000 24.819 ( -0.000 0.000 0.000) 0.000 24.819 ( 0.000 0.000 0.000) 0.000 25.059 ( -0.000 0.000 0.000) 0.000 25.059 ( 0.000 0.000 0.000) 0.000 26.884 ( -0.000 0.000 0.000) 0.000 26.884 ( 0.000 0.000 0.000) 0.000 27.152 ( -0.000 0.000 0.000) 0.000 27.152 ( 0.000 0.000 0.000) 0.000 27.366 ( 0.000 0.000 0.000) 0.000 27.366 ( -0.000 0.000 0.000) 0.000 27.567 ( 0.000 0.000 0.000) 0.000 27.567 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 259 (85/96) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 0.000 1.649 -13.816) 13.914 2.861 ( 0.000 1.649 13.816) 13.914 3.084 ( 0.000 -5.041 -18.626) 19.296 3.084 ( 0.000 -5.041 18.626) 19.296 3.495 ( 0.000 1.782 -0.904) 1.998 3.495 ( 0.000 1.782 0.904) 1.998 3.747 ( 0.000 9.136 -6.066) 10.966 3.747 ( 0.000 9.136 6.066) 10.966 4.075 ( 0.000 3.934 -5.520) 6.779 4.075 ( 0.000 3.934 5.520) 6.779 4.194 ( 0.000 2.411 -15.148) 15.338 4.194 ( 0.000 2.411 15.148) 15.338 4.415 ( 0.000 -1.711 -4.665) 4.969 4.415 ( 0.000 -1.711 4.665) 4.969 4.760 ( 0.000 -7.836 -3.403) 8.543 4.760 ( 0.000 -7.836 3.403) 8.543 5.222 ( 0.000 -2.320 -1.237) 2.629 5.222 ( 0.000 -2.320 1.237) 2.629 5.378 ( 0.000 5.059 -3.110) 5.938 5.378 ( 0.000 5.059 3.110) 5.938 6.135 ( 0.000 -5.587 -9.012) 10.604 6.135 ( 0.000 -5.587 9.012) 10.604 6.273 ( 0.000 -6.471 -9.214) 11.259 6.273 ( 0.000 -6.471 9.214) 11.259 6.510 ( 0.000 1.330 -1.513) 2.015 6.510 ( 0.000 1.330 1.513) 2.015 6.755 ( 0.000 12.185 -4.172) 12.879 6.755 ( 0.000 12.185 4.172) 12.879 8.257 ( 0.000 -5.888 -3.216) 6.709 8.257 ( 0.000 -5.888 3.216) 6.709 8.777 ( 0.000 12.131 -1.262) 12.197 8.777 ( 0.000 12.131 1.262) 12.197 9.001 ( 0.000 4.161 -7.609) 8.672 9.001 ( 0.000 4.161 7.609) 8.672 9.820 ( 0.000 -9.754 -2.557) 10.084 9.820 ( 0.000 -9.754 2.557) 10.084 10.538 ( 0.000 3.456 -2.087) 4.037 10.538 ( 0.000 3.456 2.087) 4.037 11.220 ( 0.000 -4.770 -0.874) 4.850 11.220 ( 0.000 -4.770 0.874) 4.850 11.484 ( 0.000 -1.971 -6.223) 6.528 11.484 ( 0.000 -1.971 6.223) 6.528 11.822 ( 0.000 -6.282 -4.864) 7.945 11.822 ( 0.000 -6.282 4.864) 7.945 12.066 ( 0.000 -4.267 -5.061) 6.620 12.066 ( 0.000 -4.267 5.061) 6.620 12.540 ( 0.000 0.865 -4.141) 4.230 12.540 ( 0.000 0.865 4.141) 4.230 12.901 ( 0.000 8.018 -3.543) 8.766 12.901 ( 0.000 8.018 3.543) 8.766 13.958 ( 0.000 -15.450 -7.396) 17.129 13.958 ( 0.000 -15.450 7.396) 17.129 15.115 ( 0.000 11.970 -2.862) 12.308 15.115 ( 0.000 11.970 2.862) 12.308 16.049 ( 0.000 -1.297 -9.021) 9.114 16.049 ( 0.000 -1.297 9.021) 9.114 23.574 ( 0.000 -0.348 -0.652) 0.739 23.574 ( 0.000 -0.348 0.652) 0.739 23.746 ( 0.000 -1.626 -5.336) 5.578 23.746 ( 0.000 -1.626 5.336) 5.578 24.601 ( 0.000 0.515 -3.348) 3.388 24.601 ( 0.000 0.515 3.348) 3.388 25.167 ( 0.000 -0.552 -1.328) 1.438 25.167 ( 0.000 -0.552 1.328) 1.438 26.775 ( 0.000 -0.082 -1.184) 1.187 26.775 ( 0.000 -0.082 1.184) 1.187 27.148 ( 0.000 -1.588 -4.494) 4.766 27.148 ( 0.000 -1.588 4.494) 4.766 27.317 ( 0.000 -2.249 -0.776) 2.380 27.317 ( 0.000 -2.249 0.776) 2.380 27.732 ( 0.000 4.453 -2.840) 5.281 27.732 ( 0.000 4.453 2.840) 5.281 ======================= Grid point 261 (86/96) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -1.798 0.826 -11.254) 11.426 2.855 ( -1.798 0.826 11.254) 11.426 2.984 ( -9.835 -0.855 -19.364) 21.735 2.984 ( -9.835 -0.855 19.364) 21.735 3.402 ( -5.521 -0.925 -6.539) 8.608 3.402 ( -5.521 -0.925 6.539) 8.608 3.692 ( -5.158 2.907 -2.846) 6.569 3.692 ( -5.158 2.907 2.846) 6.569 3.952 ( -4.798 10.527 -3.787) 12.173 3.952 ( -4.798 10.527 3.787) 12.173 4.378 ( 4.191 -5.999 -5.144) 8.945 4.378 ( 4.191 -5.999 5.144) 8.945 4.536 ( 14.593 0.238 -11.677) 18.691 4.536 ( 14.593 0.238 11.677) 18.691 4.834 ( 7.197 -4.447 -3.344) 9.097 4.834 ( 7.197 -4.447 3.344) 9.097 5.229 ( 3.305 -0.212 -1.675) 3.712 5.229 ( 3.305 -0.212 1.675) 3.712 5.412 ( 2.657 5.479 -3.142) 6.852 5.412 ( 2.657 5.479 3.142) 6.852 5.969 ( -11.551 -0.134 -3.454) 12.057 5.969 ( -11.551 -0.134 3.454) 12.057 6.288 ( -4.509 -2.839 -8.026) 9.634 6.288 ( -4.509 -2.839 8.026) 9.634 6.523 ( 2.288 -1.598 -3.502) 4.478 6.523 ( 2.288 -1.598 3.502) 4.478 6.887 ( 13.262 6.058 -10.385) 17.900 6.887 ( 13.262 6.058 10.385) 17.900 8.183 ( -8.079 -4.979 -6.568) 11.541 8.183 ( -8.079 -4.979 6.568) 11.541 8.708 ( -7.015 11.895 -4.633) 14.566 8.708 ( -7.015 11.895 4.633) 14.566 9.085 ( 9.311 1.710 -7.414) 12.024 9.085 ( 9.311 1.710 7.414) 12.024 9.828 ( 0.146 -8.740 -2.364) 9.056 9.828 ( 0.146 -8.740 2.364) 9.056 10.543 ( 0.490 2.833 -1.772) 3.377 10.543 ( 0.490 2.833 1.772) 3.377 11.221 ( -2.259 -2.651 -4.827) 5.952 11.221 ( -2.259 -2.651 4.827) 5.952 11.423 ( -2.921 -3.428 -7.655) 8.881 11.423 ( -2.921 -3.428 7.655) 8.881 11.780 ( -4.138 -3.763 -5.282) 7.693 11.780 ( -4.138 -3.763 5.282) 7.693 12.096 ( 2.370 -2.260 -4.744) 5.765 12.096 ( 2.370 -2.260 4.744) 5.765 12.519 ( -1.743 -3.091 -5.656) 6.677 12.519 ( -1.743 -3.091 5.656) 6.677 12.992 ( 8.478 7.190 -4.278) 11.911 12.992 ( 8.478 7.190 4.278) 11.911 13.946 ( -1.120 -15.189 -6.106) 16.408 13.946 ( -1.120 -15.189 6.106) 16.408 15.086 ( -2.856 12.776 -2.900) 13.408 15.086 ( -2.856 12.776 2.900) 13.408 16.054 ( 0.406 -1.599 -7.676) 7.851 16.054 ( 0.406 -1.599 7.676) 7.851 23.573 ( -0.309 -0.319 -0.933) 1.034 23.573 ( -0.309 -0.319 0.933) 1.034 23.721 ( -1.975 -1.464 -5.267) 5.812 23.721 ( -1.975 -1.464 5.267) 5.812 24.655 ( 5.227 0.356 -2.920) 5.998 24.655 ( 5.227 0.356 2.920) 5.998 25.145 ( -2.291 -0.455 -1.281) 2.664 25.145 ( -2.291 -0.455 1.281) 2.664 26.790 ( 1.493 -0.795 -1.098) 2.017 26.790 ( 1.493 -0.795 1.098) 2.017 27.160 ( 1.311 -1.369 -4.622) 4.996 27.160 ( 1.311 -1.369 4.622) 4.996 27.310 ( -0.767 -1.919 -1.902) 2.809 27.310 ( -0.767 -1.919 1.902) 2.809 27.711 ( -2.068 4.484 -2.382) 5.482 27.711 ( -2.068 4.484 2.382) 5.482 ======================= Grid point 263 (87/96) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -11.350 2.666 -15.155) 19.120 2.696 ( -11.350 2.666 15.155) 19.120 2.902 ( -0.236 1.485 -8.053) 8.192 2.902 ( -0.236 1.485 8.053) 8.192 3.361 ( 0.376 -4.863 -7.045) 8.569 3.361 ( 0.376 -4.863 7.045) 8.569 3.579 ( -6.317 -3.019 -3.836) 7.983 3.579 ( -6.317 -3.019 3.836) 7.983 3.899 ( -1.456 14.572 -2.297) 14.824 3.899 ( -1.456 14.572 2.297) 14.824 4.410 ( 0.576 -9.466 -2.104) 9.714 4.410 ( 0.576 -9.466 2.104) 9.714 4.747 ( 6.658 -6.832 -8.174) 12.563 4.747 ( 6.658 -6.832 8.174) 12.563 4.955 ( 5.607 4.303 -5.208) 8.779 4.955 ( 5.607 4.303 5.208) 8.779 5.377 ( 6.309 10.689 -5.790) 13.697 5.377 ( 6.309 10.689 5.790) 13.697 5.483 ( 9.101 -1.084 -3.621) 9.854 5.483 ( 9.101 -1.084 3.621) 9.854 5.777 ( -8.514 4.862 -2.008) 10.008 5.777 ( -8.514 4.862 2.008) 10.008 6.160 ( -7.604 1.615 -4.056) 8.768 6.160 ( -7.604 1.615 4.056) 8.768 6.539 ( -0.797 -3.391 -2.239) 4.141 6.539 ( -0.797 -3.391 2.239) 4.141 7.186 ( 17.266 -3.606 -14.084) 22.571 7.186 ( 17.266 -3.606 14.084) 22.571 7.979 ( -12.931 -0.999 -10.652) 16.783 7.979 ( -12.931 -0.999 10.652) 16.783 8.557 ( -8.023 11.308 -5.331) 14.855 8.557 ( -8.023 11.308 5.331) 14.855 9.322 ( 15.157 -2.777 -5.653) 16.413 9.322 ( 15.157 -2.777 5.653) 16.413 9.792 ( -4.827 -7.871 -2.098) 9.469 9.792 ( -4.827 -7.871 2.098) 9.469 10.553 ( 0.412 1.561 -1.059) 1.931 10.553 ( 0.412 1.561 1.059) 1.931 11.106 ( -7.358 3.109 -1.705) 8.168 11.106 ( -7.358 3.109 1.705) 8.168 11.445 ( 2.758 -5.990 -3.362) 7.402 11.445 ( 2.758 -5.990 3.362) 7.402 11.704 ( -3.031 0.467 -3.489) 4.645 11.704 ( -3.031 0.467 3.489) 4.645 12.138 ( 2.104 -2.047 -3.566) 4.618 12.138 ( 2.104 -2.047 3.566) 4.618 12.479 ( -2.606 -6.576 -4.704) 8.495 12.479 ( -2.606 -6.576 4.704) 8.495 13.155 ( 7.848 4.680 -3.817) 9.903 13.155 ( 7.848 4.680 3.817) 9.903 13.922 ( -1.272 -14.798 -3.075) 15.168 13.922 ( -1.272 -14.798 3.075) 15.168 15.027 ( -3.031 14.560 -2.192) 15.033 15.027 ( -3.031 14.560 2.192) 15.033 16.061 ( 0.371 -2.186 -4.288) 4.828 16.061 ( 0.371 -2.186 4.288) 4.828 23.556 ( -1.354 -0.077 -1.351) 1.914 23.556 ( -1.354 -0.077 1.351) 1.914 23.698 ( -0.415 -1.485 -3.519) 3.842 23.698 ( -0.415 -1.485 3.519) 3.842 24.763 ( 5.632 0.358 -1.989) 5.983 24.763 ( 5.632 0.358 1.989) 5.983 25.091 ( -3.194 -0.437 -1.166) 3.428 25.091 ( -3.194 -0.437 1.166) 3.428 26.820 ( 1.481 -2.294 -0.721) 2.824 26.820 ( 1.481 -2.294 0.721) 2.824 27.195 ( 2.441 -1.537 -4.824) 5.620 27.195 ( 2.441 -1.537 4.824) 5.620 27.288 ( -1.716 -0.473 -3.569) 3.988 27.288 ( -1.716 -0.473 3.569) 3.988 27.667 ( -2.262 4.457 -1.285) 5.160 27.667 ( -2.262 4.457 1.285) 5.160 ======================= Grid point 265 (88/96) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 0.000 4.145 0.000) 4.145 2.580 ( 0.000 4.145 0.000) 4.145 2.903 ( 0.000 1.136 0.000) 1.136 2.903 ( 0.000 1.136 0.000) 1.136 3.378 ( -0.000 -5.321 0.000) 5.321 3.378 ( 0.000 -5.321 0.000) 5.321 3.505 ( -0.000 -5.592 0.000) 5.592 3.505 ( 0.000 -5.592 0.000) 5.592 3.887 ( -0.000 15.842 0.000) 15.842 3.887 ( 0.000 15.842 0.000) 15.842 4.414 ( 0.000 -10.377 0.000) 10.377 4.414 ( 0.000 -10.377 0.000) 10.377 4.797 ( -0.000 -14.709 0.000) 14.709 4.797 ( 0.000 -14.709 0.000) 14.709 5.026 ( -0.000 15.157 0.000) 15.157 5.026 ( 0.000 15.157 0.000) 15.157 5.395 ( -0.000 10.822 0.000) 10.822 5.395 ( 0.000 10.822 0.000) 10.822 5.661 ( 0.000 -3.838 0.000) 3.838 5.661 ( -0.000 -3.838 0.000) 3.838 5.674 ( -0.000 6.274 0.000) 6.274 5.674 ( 0.000 6.274 -0.000) 6.274 6.067 ( -0.000 5.275 0.000) 5.275 6.067 ( 0.000 5.275 0.000) 5.275 6.523 ( 0.000 -4.145 0.000) 4.145 6.523 ( 0.000 -4.145 0.000) 4.145 7.401 ( -0.000 -13.810 0.000) 13.810 7.401 ( 0.000 -13.810 0.000) 13.810 7.807 ( -0.000 7.873 0.000) 7.873 7.807 ( 0.000 7.873 0.000) 7.873 8.472 ( 0.000 10.538 0.000) 10.538 8.472 ( 0.000 10.538 0.000) 10.538 9.541 ( -0.000 -3.773 0.000) 3.773 9.541 ( 0.000 -3.773 0.000) 3.773 9.679 ( -0.000 -9.153 0.000) 9.153 9.679 ( 0.000 -9.153 0.000) 9.153 10.556 ( -0.000 0.956 0.000) 0.956 10.556 ( 0.000 0.956 0.000) 0.956 11.030 ( -0.000 6.104 0.000) 6.104 11.030 ( 0.000 6.104 0.000) 6.104 11.469 ( -0.000 -6.607 0.000) 6.607 11.469 ( 0.000 -6.607 0.000) 6.607 11.681 ( -0.000 2.359 0.000) 2.359 11.681 ( 0.000 2.359 0.000) 2.359 12.162 ( -0.000 -3.082 0.000) 3.082 12.162 ( 0.000 -3.082 0.000) 3.082 12.446 ( 0.000 -7.149 0.000) 7.149 12.446 ( 0.000 -7.149 0.000) 7.149 13.235 ( -0.000 3.454 0.000) 3.454 13.235 ( 0.000 3.454 0.000) 3.454 13.909 ( 0.000 -14.736 0.000) 14.736 13.909 ( 0.000 -14.736 0.000) 14.736 14.995 ( -0.000 15.565 0.000) 15.565 14.995 ( 0.000 15.565 0.000) 15.565 16.065 ( -0.000 -2.471 0.000) 2.471 16.065 ( 0.000 -2.471 0.000) 2.471 23.540 ( 0.000 0.090 0.000) 0.090 23.540 ( -0.000 0.090 0.000) 0.090 23.696 ( 0.000 -1.595 0.000) 1.595 23.696 ( 0.000 -1.595 0.000) 1.595 24.824 ( -0.000 0.637 0.000) 0.637 24.824 ( 0.000 0.637 0.000) 0.637 25.053 ( -0.000 -0.658 0.000) 0.658 25.053 ( 0.000 -0.658 0.000) 0.658 26.835 ( 0.000 -3.071 0.000) 3.071 26.835 ( 0.000 -3.071 0.000) 3.071 27.237 ( 0.000 -9.059 -0.000) 9.059 27.237 ( 0.000 -9.059 0.000) 9.059 27.254 ( -0.000 7.804 0.000) 7.804 27.254 ( -0.000 7.804 0.000) 7.804 27.644 ( -0.000 4.363 0.000) 4.363 27.644 ( 0.000 4.363 0.000) 4.363 ======================= Grid point 273 (89/96) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 0.000 1.646 -14.125) 14.221 2.906 ( 0.000 1.646 14.125) 14.221 3.009 ( 0.000 -1.525 -16.111) 16.183 3.009 ( 0.000 -1.525 16.111) 16.183 3.436 ( 0.000 -3.533 -1.833) 3.981 3.436 ( 0.000 -3.533 1.833) 3.981 3.970 ( 0.000 3.185 -8.058) 8.664 3.970 ( 0.000 3.185 8.058) 8.664 4.124 ( 0.000 -0.041 -6.042) 6.042 4.124 ( 0.000 -0.041 6.042) 6.042 4.255 ( 0.000 2.019 -5.336) 5.705 4.255 ( 0.000 2.019 5.336) 5.705 4.417 ( 0.000 9.006 -6.646) 11.193 4.417 ( 0.000 9.006 6.646) 11.193 4.745 ( 0.000 5.786 -1.467) 5.969 4.745 ( 0.000 5.786 1.467) 5.969 5.118 ( 0.000 -5.141 -3.116) 6.012 5.118 ( 0.000 -5.141 3.116) 6.012 5.435 ( 0.000 -2.504 -2.421) 3.483 5.435 ( 0.000 -2.504 2.421) 3.483 6.013 ( 0.000 -5.043 -10.006) 11.205 6.013 ( 0.000 -5.043 10.006) 11.205 6.167 ( 0.000 -3.459 -4.681) 5.820 6.167 ( 0.000 -3.459 4.681) 5.820 6.537 ( 0.000 0.910 -0.620) 1.101 6.537 ( 0.000 0.910 0.620) 1.101 6.945 ( 0.000 4.943 -5.861) 7.667 6.945 ( 0.000 4.943 5.861) 7.667 8.254 ( 0.000 6.468 -0.360) 6.478 8.254 ( 0.000 6.468 0.360) 6.478 8.998 ( 0.000 3.460 -0.032) 3.460 8.998 ( 0.000 3.460 0.032) 3.460 9.095 ( 0.000 7.136 -3.191) 7.817 9.095 ( 0.000 7.136 3.191) 7.817 9.607 ( 0.000 -7.915 -2.780) 8.389 9.607 ( 0.000 -7.915 2.780) 8.389 10.597 ( 0.000 1.219 -2.371) 2.665 10.597 ( 0.000 1.219 2.371) 2.665 11.076 ( 0.000 -8.023 -0.604) 8.046 11.076 ( 0.000 -8.023 0.604) 8.046 11.449 ( 0.000 -0.857 -4.260) 4.346 11.449 ( 0.000 -0.857 4.260) 4.346 11.706 ( 0.000 -4.415 -2.494) 5.071 11.706 ( 0.000 -4.415 2.494) 5.071 11.863 ( 0.000 -11.840 -0.834) 11.869 11.863 ( 0.000 -11.840 0.834) 11.869 12.674 ( 0.000 9.249 -1.518) 9.373 12.674 ( 0.000 9.249 1.518) 9.373 13.046 ( 0.000 5.539 -2.980) 6.290 13.046 ( 0.000 5.539 2.980) 6.290 13.618 ( 0.000 -15.286 -1.244) 15.337 13.618 ( 0.000 -15.286 1.244) 15.337 15.357 ( 0.000 9.823 -7.554) 12.392 15.357 ( 0.000 9.823 7.554) 12.392 16.012 ( 0.000 -2.092 -8.412) 8.668 16.012 ( 0.000 -2.092 8.412) 8.668 23.565 ( 0.000 -0.477 -0.863) 0.986 23.565 ( 0.000 -0.477 0.863) 0.986 23.705 ( 0.000 -1.959 -4.147) 4.586 23.705 ( 0.000 -1.959 4.147) 4.586 24.615 ( 0.000 0.749 -2.387) 2.502 24.615 ( 0.000 0.749 2.387) 2.502 25.153 ( 0.000 -0.640 -0.854) 1.067 25.153 ( 0.000 -0.640 0.854) 1.067 26.782 ( 0.000 0.913 -0.071) 0.916 26.782 ( 0.000 0.913 0.071) 0.916 27.052 ( 0.000 -6.114 -5.299) 8.091 27.052 ( 0.000 -6.114 5.299) 8.091 27.332 ( 0.000 2.477 -0.783) 2.598 27.332 ( 0.000 2.477 0.783) 2.598 27.817 ( 0.000 3.247 -1.888) 3.755 27.817 ( 0.000 3.247 1.888) 3.755 ======================= Grid point 275 (90/96) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -1.678 1.915 -12.568) 12.823 2.895 ( -1.678 1.915 12.568) 12.823 2.957 ( -5.324 -0.553 -16.313) 17.169 2.957 ( -5.324 -0.553 16.313) 17.169 3.347 ( -6.987 -2.891 -3.477) 8.322 3.347 ( -6.987 -2.891 3.477) 8.322 3.726 ( -14.721 -1.970 -0.986) 14.885 3.726 ( -14.721 -1.970 0.986) 14.885 4.230 ( 0.156 6.225 -6.890) 9.287 4.230 ( 0.156 6.225 6.890) 9.287 4.291 ( 3.311 5.052 -7.613) 9.719 4.291 ( 3.311 5.052 7.613) 9.719 4.481 ( 5.701 -1.278 -6.154) 8.486 4.481 ( 5.701 -1.278 6.154) 8.486 4.887 ( 13.339 7.828 -3.202) 15.794 4.887 ( 13.339 7.828 3.202) 15.794 5.168 ( 7.665 -3.599 -1.622) 8.622 5.168 ( 7.665 -3.599 1.622) 8.622 5.503 ( 5.779 -0.428 -3.297) 6.667 5.503 ( 5.779 -0.428 3.297) 6.667 5.956 ( -4.441 -0.214 -5.003) 6.693 5.956 ( -4.441 -0.214 5.003) 6.693 6.194 ( 0.826 -4.955 -2.066) 5.431 6.194 ( 0.826 -4.955 2.066) 5.431 6.511 ( -2.383 -0.223 -3.480) 4.223 6.511 ( -2.383 -0.223 3.480) 4.223 6.980 ( 3.447 1.647 -6.837) 7.832 6.980 ( 3.447 1.647 6.837) 7.832 8.201 ( -5.547 7.480 -2.066) 9.539 8.201 ( -5.547 7.480 2.066) 9.539 8.943 ( -5.628 6.519 -5.492) 10.215 8.943 ( -5.628 6.519 5.492) 10.215 9.104 ( 2.090 1.784 -5.920) 6.527 9.104 ( 2.090 1.784 5.920) 6.527 9.628 ( 1.005 -8.491 -2.850) 9.012 9.628 ( 1.005 -8.491 2.850) 9.012 10.594 ( -0.152 1.502 -2.133) 2.613 10.594 ( -0.152 1.502 2.133) 2.613 11.116 ( 3.715 -7.401 -4.591) 9.469 11.116 ( 3.715 -7.401 4.591) 9.469 11.379 ( -5.223 0.599 -6.028) 7.998 11.379 ( -5.223 0.599 6.028) 7.998 11.710 ( -0.510 -2.586 -2.469) 3.612 11.710 ( -0.510 -2.586 2.469) 3.612 11.924 ( 5.581 -12.002 -2.803) 13.530 11.924 ( 5.581 -12.002 2.803) 13.530 12.554 ( -10.351 4.662 -1.771) 11.490 12.554 ( -10.351 4.662 1.771) 11.490 13.135 ( 7.219 6.046 -4.676) 10.513 13.135 ( 7.219 6.046 4.676) 10.513 13.625 ( 0.670 -13.750 -2.110) 13.927 13.625 ( 0.670 -13.750 2.110) 13.927 15.349 ( -0.742 10.998 -6.998) 13.057 15.349 ( -0.742 10.998 6.998) 13.057 16.005 ( -0.680 -2.843 -7.448) 8.002 16.005 ( -0.680 -2.843 7.448) 8.002 23.565 ( -0.118 -0.432 -0.935) 1.036 23.565 ( -0.118 -0.432 0.935) 1.036 23.684 ( -1.797 -1.805 -4.052) 4.786 23.684 ( -1.797 -1.805 4.052) 4.786 24.666 ( 5.091 0.690 -2.177) 5.579 24.666 ( 5.091 0.690 2.177) 5.579 25.133 ( -2.201 -0.618 -0.930) 2.468 25.133 ( -2.201 -0.618 0.930) 2.468 26.783 ( 0.160 0.403 -0.207) 0.480 26.783 ( 0.160 0.403 0.207) 0.480 27.051 ( -0.149 -6.778 -4.714) 8.257 27.051 ( -0.149 -6.778 4.714) 8.257 27.351 ( 2.039 3.724 -1.324) 4.447 27.351 ( 2.039 3.724 1.324) 4.447 27.794 ( -2.416 3.003 -1.596) 4.172 27.794 ( -2.416 3.003 1.596) 4.172 ======================= Grid point 277 (91/96) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -8.069 5.106 -11.714) 15.113 2.784 ( -8.069 5.106 11.714) 15.113 2.905 ( -0.687 -0.798 -7.204) 7.280 2.905 ( -0.687 -0.798 7.204) 7.280 3.271 ( -0.633 -3.662 -6.612) 7.585 3.271 ( -0.633 -3.662 6.612) 7.585 3.489 ( -10.824 -5.255 -4.022) 12.686 3.489 ( -10.824 -5.255 4.022) 12.686 4.236 ( 0.839 2.663 -7.380) 7.891 4.236 ( 0.839 2.663 7.380) 7.891 4.304 ( -0.851 11.581 -5.702) 12.937 4.304 ( -0.851 11.581 5.702) 12.937 4.526 ( -0.224 -8.050 -2.612) 8.466 4.526 ( -0.224 -8.050 2.612) 8.466 5.159 ( 14.350 11.229 -4.454) 18.758 5.159 ( 14.350 11.229 4.454) 18.758 5.389 ( 13.023 -5.013 -2.069) 14.107 5.389 ( 13.023 -5.013 2.069) 14.107 5.592 ( 2.775 3.754 -3.122) 5.616 5.592 ( 2.775 3.754 3.122) 5.616 5.880 ( -3.759 6.623 -1.829) 7.832 5.880 ( -3.759 6.623 1.829) 7.832 6.182 ( -0.538 -0.234 -3.618) 3.666 6.182 ( -0.538 -0.234 3.618) 3.666 6.458 ( -3.446 -3.756 -3.231) 6.035 6.458 ( -3.446 -3.756 3.231) 6.035 7.043 ( 2.406 -9.185 -5.354) 10.900 7.043 ( 2.406 -9.185 5.354) 10.900 8.095 ( -4.142 11.897 -1.651) 12.705 8.095 ( -4.142 11.897 1.651) 12.705 8.797 ( -8.883 9.837 -6.840) 14.915 8.797 ( -8.883 9.837 6.840) 14.915 9.220 ( 10.059 -6.606 -4.172) 12.737 9.220 ( 10.059 -6.606 4.172) 12.737 9.592 ( -5.599 -9.830 -3.573) 11.864 9.592 ( -5.599 -9.830 3.573) 11.864 10.598 ( 0.514 3.029 -1.458) 3.401 10.598 ( 0.514 3.029 1.458) 3.401 11.179 ( 2.551 -0.601 -7.751) 8.183 11.179 ( 2.551 -0.601 7.751) 8.183 11.311 ( -2.119 -2.159 -7.799) 8.365 11.311 ( -2.119 -2.159 7.799) 8.365 11.698 ( -0.069 -1.020 -1.664) 1.953 11.698 ( -0.069 -1.020 1.664) 1.953 12.025 ( 4.947 -8.947 -4.725) 11.262 12.025 ( 4.947 -8.947 4.725) 11.262 12.359 ( -9.939 -3.446 -4.347) 11.382 12.359 ( -9.939 -3.446 4.347) 11.382 13.260 ( 5.650 4.699 -4.032) 8.382 13.260 ( 5.650 4.699 4.032) 8.382 13.634 ( 0.098 -11.140 -2.189) 11.354 13.634 ( 0.098 -11.140 2.189) 11.354 15.335 ( -0.672 13.577 -4.581) 14.345 15.335 ( -0.672 13.577 4.581) 14.345 15.991 ( -0.737 -4.466 -4.507) 6.387 15.991 ( -0.737 -4.466 4.507) 6.387 23.556 ( -0.799 0.093 -1.399) 1.614 23.556 ( -0.799 0.093 1.399) 1.614 23.658 ( -0.798 -2.086 -2.928) 3.683 23.658 ( -0.798 -2.086 2.928) 3.683 24.778 ( 6.238 1.054 -1.682) 6.546 24.778 ( 6.238 1.054 1.682) 6.546 25.076 ( -3.667 -0.905 -1.055) 3.921 25.076 ( -3.667 -0.905 1.055) 3.921 26.787 ( 0.250 -0.484 -0.262) 0.605 26.787 ( 0.250 -0.484 0.262) 0.605 27.046 ( -0.327 -8.052 -2.836) 8.543 27.046 ( -0.327 -8.052 2.836) 8.543 27.400 ( 2.820 6.479 -1.214) 7.170 27.400 ( 2.820 6.479 1.214) 7.170 27.739 ( -3.115 2.075 -0.891) 3.848 27.739 ( -3.115 2.075 0.891) 3.848 ======================= Grid point 279 (92/96) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.000 6.569 0.000) 6.569 2.699 ( -0.000 6.569 0.000) 6.569 2.900 ( 0.000 -1.162 -0.000) 1.162 2.900 ( 0.000 -1.162 0.000) 1.162 3.299 ( -0.000 -2.734 -0.000) 2.734 3.299 ( 0.000 -2.734 0.000) 2.734 3.355 ( -0.000 -7.534 0.000) 7.534 3.355 ( 0.000 -7.534 0.000) 7.534 4.251 ( 0.000 -5.042 0.000) 5.042 4.251 ( -0.000 -5.042 0.000) 5.042 4.287 ( 0.000 18.849 -0.000) 18.849 4.287 ( 0.000 18.849 0.000) 18.849 4.519 ( -0.000 -8.480 0.000) 8.480 4.519 ( 0.000 -8.480 0.000) 8.480 5.321 ( -0.000 12.050 0.000) 12.050 5.321 ( 0.000 12.050 0.000) 12.050 5.529 ( 0.000 -8.772 0.000) 8.772 5.529 ( -0.000 -8.772 0.000) 8.772 5.602 ( -0.000 6.878 0.000) 6.878 5.602 ( 0.000 6.878 0.000) 6.878 5.830 ( 0.000 9.568 0.000) 9.568 5.830 ( 0.000 9.568 0.000) 9.568 6.199 ( -0.000 6.641 0.000) 6.641 6.199 ( 0.000 6.641 0.000) 6.641 6.407 ( 0.000 -6.432 0.000) 6.432 6.407 ( 0.000 -6.432 0.000) 6.432 7.059 ( 0.000 -17.599 0.000) 17.599 7.059 ( 0.000 -17.599 0.000) 17.599 8.066 ( -0.000 16.174 0.000) 16.174 8.066 ( 0.000 16.174 0.000) 16.174 8.697 ( 0.000 9.208 0.000) 9.208 8.697 ( 0.000 9.208 0.000) 9.208 9.425 ( -0.000 -13.603 0.000) 13.603 9.425 ( 0.000 -13.603 0.000) 13.603 9.433 ( -0.000 -6.142 -0.000) 6.142 9.433 ( 0.000 -6.142 -0.000) 6.142 10.605 ( -0.000 4.181 0.000) 4.181 10.605 ( 0.000 4.181 0.000) 4.181 11.205 ( -0.000 9.970 0.000) 9.970 11.205 ( 0.000 9.970 0.000) 9.970 11.288 ( 0.000 -10.685 0.000) 10.685 11.288 ( 0.000 -10.685 0.000) 10.685 11.704 ( 0.000 -0.587 0.000) 0.587 11.704 ( 0.000 -0.587 0.000) 0.587 12.088 ( 0.000 -3.468 0.000) 3.468 12.088 ( 0.000 -3.468 0.000) 3.468 12.241 ( -0.000 -10.971 0.000) 10.971 12.241 ( 0.000 -10.971 0.000) 10.971 13.318 ( 0.000 3.934 0.000) 3.934 13.318 ( 0.000 3.934 0.000) 3.934 13.632 ( 0.000 -10.232 0.000) 10.232 13.632 ( 0.000 -10.232 0.000) 10.232 15.328 ( 0.000 14.994 0.000) 14.994 15.328 ( 0.000 14.994 0.000) 14.994 15.983 ( -0.000 -5.346 0.000) 5.346 15.983 ( 0.000 -5.346 0.000) 5.346 23.546 ( 0.000 0.495 0.000) 0.495 23.546 ( 0.000 0.495 0.000) 0.495 23.652 ( 0.000 -2.422 0.000) 2.422 23.652 ( 0.000 -2.422 0.000) 2.422 24.852 ( 0.000 2.021 0.000) 2.021 24.852 ( -0.000 2.021 0.000) 2.021 25.028 ( 0.000 -1.782 0.000) 1.782 25.028 ( 0.000 -1.782 0.000) 1.782 26.790 ( 0.000 -0.862 0.000) 0.862 26.790 ( -0.000 -0.862 0.000) 0.862 27.043 ( 0.000 -8.662 0.000) 8.662 27.043 ( 0.000 -8.662 0.000) 8.662 27.432 ( 0.000 8.333 0.000) 8.333 27.432 ( 0.000 8.333 0.000) 8.333 27.704 ( -0.000 1.047 0.000) 1.047 27.704 ( 0.000 1.047 0.000) 1.047 ======================= Grid point 287 (93/96) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 0.000 -0.610 -4.011) 4.057 2.907 ( 0.000 -0.610 4.011) 4.057 3.016 ( 0.000 0.729 -3.502) 3.577 3.016 ( 0.000 0.729 3.502) 3.577 3.412 ( 0.000 1.017 -3.398) 3.547 3.412 ( 0.000 1.017 3.398) 3.547 3.847 ( 0.000 -6.975 -0.949) 7.039 3.847 ( 0.000 -6.975 0.949) 7.039 4.160 ( 0.000 1.385 -1.038) 1.731 4.160 ( 0.000 1.385 1.038) 1.731 4.285 ( 0.000 0.878 -3.056) 3.180 4.285 ( 0.000 0.878 3.056) 3.180 4.713 ( 0.000 12.947 -6.653) 14.557 4.713 ( 0.000 12.947 6.653) 14.557 4.888 ( 0.000 3.324 -0.095) 3.325 4.888 ( 0.000 3.324 0.095) 3.325 5.051 ( 0.000 0.208 -4.940) 4.945 5.051 ( 0.000 0.208 4.940) 4.945 5.295 ( 0.000 -7.762 -2.038) 8.025 5.295 ( 0.000 -7.762 2.038) 8.025 5.893 ( 0.000 -5.026 -3.234) 5.977 5.893 ( 0.000 -5.026 3.234) 5.977 6.155 ( 0.000 1.132 -1.935) 2.242 6.155 ( 0.000 1.132 1.935) 2.242 6.544 ( 0.000 -0.099 -0.198) 0.221 6.544 ( 0.000 -0.099 0.198) 0.221 6.986 ( 0.000 0.194 -2.713) 2.719 6.986 ( 0.000 0.194 2.713) 2.719 8.501 ( 0.000 15.076 -1.503) 15.150 8.501 ( 0.000 15.076 1.503) 15.150 8.841 ( 0.000 -13.958 -1.761) 14.069 8.841 ( 0.000 -13.958 1.761) 14.069 9.287 ( 0.000 6.408 -2.494) 6.876 9.287 ( 0.000 6.408 2.494) 6.876 9.542 ( 0.000 0.379 -0.463) 0.599 9.542 ( 0.000 0.379 0.463) 0.599 10.566 ( 0.000 -3.082 -0.668) 3.153 10.566 ( 0.000 -3.082 0.668) 3.153 10.947 ( 0.000 -2.898 -0.281) 2.911 10.947 ( 0.000 -2.898 0.281) 2.911 11.468 ( 0.000 2.920 -1.514) 3.289 11.468 ( 0.000 2.920 1.514) 3.289 11.602 ( 0.000 -6.692 -1.217) 6.801 11.602 ( 0.000 -6.692 1.217) 6.801 11.682 ( 0.000 -2.961 -0.444) 2.994 11.682 ( 0.000 -2.961 0.444) 2.994 12.855 ( 0.000 6.149 -1.843) 6.419 12.855 ( 0.000 6.149 1.843) 6.419 13.137 ( 0.000 3.138 -3.009) 4.348 13.137 ( 0.000 3.138 3.009) 4.348 13.347 ( 0.000 -9.153 -1.311) 9.246 13.347 ( 0.000 -9.153 1.311) 9.246 15.506 ( 0.000 3.857 -4.422) 5.868 15.506 ( 0.000 3.857 4.422) 5.868 15.972 ( 0.000 -1.279 -4.193) 4.384 15.972 ( 0.000 -1.279 4.193) 4.384 23.556 ( 0.000 -0.230 -0.466) 0.520 23.556 ( 0.000 -0.230 0.466) 0.520 23.673 ( 0.000 -0.845 -1.648) 1.852 23.673 ( 0.000 -0.845 1.648) 1.852 24.629 ( 0.000 0.378 -0.874) 0.952 24.629 ( 0.000 0.378 0.874) 0.952 25.143 ( 0.000 -0.280 -0.290) 0.404 25.143 ( 0.000 -0.280 0.290) 0.404 26.814 ( 0.000 1.881 -1.020) 2.140 26.814 ( 0.000 1.881 1.020) 2.140 26.936 ( 0.000 -4.074 -2.977) 5.045 26.936 ( 0.000 -4.074 2.977) 5.045 27.378 ( 0.000 1.305 -0.231) 1.326 27.378 ( 0.000 1.305 0.231) 1.326 27.863 ( 0.000 1.075 -0.708) 1.287 27.863 ( 0.000 1.075 0.708) 1.287 ======================= Grid point 289 (94/96) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -1.193 -0.585 -2.570) 2.894 2.896 ( -1.193 -0.585 2.570) 2.894 2.983 ( -3.460 1.230 -3.366) 4.981 2.983 ( -3.460 1.230 3.366) 4.981 3.327 ( -7.377 0.981 -2.136) 7.742 3.327 ( -7.377 0.981 2.136) 7.742 3.627 ( -15.582 -4.943 -1.697) 16.435 3.627 ( -15.582 -4.943 1.697) 16.435 4.243 ( -0.634 1.591 -1.171) 2.075 4.243 ( -0.634 1.591 1.171) 2.075 4.305 ( 3.109 -3.658 -4.400) 6.512 4.305 ( 3.109 -3.658 4.400) 6.512 4.735 ( 3.345 16.166 -5.396) 17.367 4.735 ( 3.345 16.166 5.396) 17.367 5.008 ( 10.154 -3.408 -1.866) 10.872 5.008 ( 10.154 -3.408 1.866) 10.872 5.140 ( 10.899 4.973 -0.627) 11.996 5.140 ( 10.899 4.973 0.627) 11.996 5.393 ( 8.915 -7.252 -3.330) 11.965 5.393 ( 8.915 -7.252 3.330) 11.965 5.929 ( 4.438 -2.585 -3.307) 6.108 5.929 ( 4.438 -2.585 3.307) 6.108 6.144 ( -1.153 0.400 -2.045) 2.381 6.144 ( -1.153 0.400 2.045) 2.381 6.501 ( -4.620 -0.574 -1.562) 4.910 6.501 ( -4.620 -0.574 1.562) 4.910 6.975 ( -2.096 -0.893 -2.530) 3.405 6.975 ( -2.096 -0.893 2.530) 3.405 8.465 ( -4.021 15.553 -3.282) 16.396 8.465 ( -4.021 15.553 3.282) 16.396 8.811 ( -0.544 -13.768 -1.830) 13.900 8.811 ( -0.544 -13.768 1.830) 13.900 9.284 ( -3.024 10.126 -4.322) 11.417 9.284 ( -3.024 10.126 4.322) 11.417 9.487 ( -4.486 -5.830 -2.706) 7.838 9.487 ( -4.486 -5.830 2.706) 7.838 10.602 ( 3.945 -0.368 -1.357) 4.188 10.602 ( 3.945 -0.368 1.357) 4.188 10.963 ( 1.706 -4.900 -1.068) 5.297 10.963 ( 1.706 -4.900 1.068) 5.297 11.462 ( -0.550 6.976 -2.645) 7.481 11.462 ( -0.550 6.976 2.645) 7.481 11.649 ( 1.460 -7.858 -0.904) 8.043 11.649 ( 1.460 -7.858 0.904) 8.043 11.692 ( 4.128 -4.177 -1.954) 6.190 11.692 ( 4.128 -4.177 1.954) 6.190 12.642 ( -16.961 2.557 -0.389) 17.157 12.642 ( -16.961 2.557 0.389) 17.157 13.251 ( 6.564 5.318 -5.852) 10.277 13.251 ( 6.564 5.318 5.852) 10.277 13.390 ( 4.484 -8.428 -4.623) 10.607 13.390 ( 4.484 -8.428 4.623) 10.607 15.524 ( 1.944 4.812 -4.435) 6.827 15.524 ( 1.944 4.812 4.435) 6.827 15.947 ( -2.668 -2.050 -4.144) 5.338 15.947 ( -2.668 -2.050 4.144) 5.338 23.557 ( 0.110 -0.202 -0.498) 0.549 23.557 ( 0.110 -0.202 0.498) 0.549 23.655 ( -1.768 -0.797 -1.621) 2.527 23.655 ( -1.768 -0.797 1.621) 2.527 24.679 ( 5.202 0.408 -0.832) 5.284 24.679 ( 5.202 0.408 0.832) 5.284 25.122 ( -2.306 -0.315 -0.365) 2.356 25.122 ( -2.306 -0.315 0.365) 2.356 26.809 ( -0.437 1.796 -0.881) 2.048 26.809 ( -0.437 1.796 0.881) 2.048 26.926 ( -1.070 -4.354 -2.594) 5.180 26.926 ( -1.070 -4.354 2.594) 5.180 27.415 ( 3.855 1.743 -0.336) 4.244 27.415 ( 3.855 1.743 0.336) 4.244 27.835 ( -2.992 0.926 -0.609) 3.191 27.835 ( -2.992 0.926 0.609) 3.191 ======================= Grid point 291 (95/96) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -2.658 1.015 -3.459) 4.479 2.861 ( -2.658 1.015 3.459) 4.479 2.907 ( -3.631 1.411 -1.377) 4.132 2.907 ( -3.631 1.411 1.377) 4.132 3.222 ( -2.683 -0.503 -2.009) 3.389 3.222 ( -2.683 -0.503 2.009) 3.389 3.379 ( -10.721 -4.127 -2.975) 11.867 3.379 ( -10.721 -4.127 2.975) 11.867 4.213 ( -1.559 0.537 -1.525) 2.246 4.213 ( -1.559 0.537 1.525) 2.246 4.296 ( -2.429 -5.814 -2.041) 6.623 4.296 ( -2.429 -5.814 2.041) 6.623 4.803 ( 2.889 21.268 -3.008) 21.673 4.803 ( 2.889 21.268 3.008) 21.673 5.186 ( 7.554 -13.482 -2.580) 15.668 5.186 ( 7.554 -13.482 2.580) 15.668 5.395 ( 13.738 8.815 -4.338) 16.889 5.395 ( 13.738 8.815 4.338) 16.889 5.563 ( 8.226 -4.707 -4.337) 10.422 5.563 ( 8.226 -4.707 4.337) 10.422 6.056 ( 5.158 7.641 -3.484) 9.855 6.056 ( 5.158 7.641 3.484) 9.855 6.150 ( 6.392 -2.316 -3.793) 7.785 6.150 ( 6.392 -2.316 3.793) 7.785 6.387 ( -6.823 -2.771 -3.019) 7.959 6.387 ( -6.823 -2.771 3.019) 7.959 6.865 ( -10.566 -5.626 -2.528) 12.234 6.865 ( -10.566 -5.626 2.528) 12.234 8.413 ( 0.371 15.257 -4.555) 15.927 8.413 ( 0.371 15.257 4.555) 15.927 8.821 ( -1.353 -9.166 -5.241) 10.645 8.821 ( -1.353 -9.166 5.241) 10.645 9.185 ( -3.437 5.996 -3.453) 7.726 9.185 ( -3.437 5.996 3.453) 7.726 9.397 ( -6.037 -8.474 -3.749) 11.059 9.397 ( -6.037 -8.474 3.749) 11.060 10.697 ( 5.373 5.862 -1.120) 8.030 10.697 ( 5.373 5.862 1.120) 8.030 11.001 ( 1.971 -9.754 -2.145) 10.179 11.001 ( 1.971 -9.754 2.145) 10.179 11.446 ( -1.185 9.786 -2.950) 10.290 11.446 ( -1.185 9.786 2.950) 10.290 11.638 ( -0.884 -6.132 -1.224) 6.315 11.638 ( -0.884 -6.132 1.224) 6.315 11.836 ( 9.704 -5.764 -2.690) 11.603 11.836 ( 9.704 -5.764 2.690) 11.603 12.323 ( -16.785 -0.598 -1.508) 16.863 12.323 ( -16.785 -0.598 1.508) 16.863 13.345 ( 4.239 3.199 -3.997) 6.647 13.345 ( 4.239 3.199 3.997) 6.647 13.464 ( 2.383 -4.993 -3.406) 6.497 13.464 ( 2.383 -4.993 3.406) 6.497 15.575 ( 3.296 8.054 -3.813) 9.501 15.575 ( 3.296 8.054 3.813) 9.501 15.882 ( -3.902 -4.888 -3.543) 7.189 15.882 ( -3.902 -4.888 3.543) 7.189 23.561 ( 0.253 0.308 -1.015) 1.090 23.561 ( 0.253 0.308 1.015) 1.090 23.620 ( -1.720 -1.208 -1.557) 2.616 23.620 ( -1.720 -1.208 1.557) 2.616 24.800 ( 7.347 0.778 -0.744) 7.426 24.800 ( 7.347 0.778 0.744) 7.426 25.057 ( -4.643 -0.637 -0.511) 4.715 25.057 ( -4.643 -0.637 0.511) 4.715 26.804 ( -0.098 1.895 -0.604) 1.991 26.804 ( -0.098 1.895 0.604) 1.991 26.902 ( -1.293 -5.096 -1.609) 5.498 26.902 ( -1.293 -5.096 1.609) 5.498 27.507 ( 5.746 2.997 -0.306) 6.488 27.507 ( 5.746 2.997 0.306) 6.488 27.759 ( -5.002 0.160 -0.369) 5.018 27.759 ( -5.002 0.160 0.369) 5.018 ======================= Grid point 293 (96/96) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -0.000 4.391 0.000) 4.391 2.825 ( -0.000 4.391 0.000) 4.391 2.875 ( 0.000 -1.098 -0.000) 1.098 2.875 ( 0.000 -1.098 0.000) 1.098 3.236 ( -0.000 -2.725 -0.000) 2.725 3.236 ( 0.000 -2.725 0.000) 2.725 3.243 ( -0.000 -2.388 0.000) 2.388 3.243 ( 0.000 -2.388 0.000) 2.388 4.198 ( -0.000 0.173 0.000) 0.173 4.198 ( 0.000 0.173 0.000) 0.173 4.268 ( -0.000 -6.444 0.000) 6.444 4.268 ( -0.000 -6.444 0.000) 6.444 4.830 ( 0.000 22.709 0.000) 22.709 4.830 ( 0.000 22.709 0.000) 22.709 5.254 ( 0.000 -16.408 0.000) 16.408 5.254 ( 0.000 -16.408 0.000) 16.408 5.542 ( -0.000 7.581 0.000) 7.581 5.542 ( 0.000 7.581 0.000) 7.581 5.647 ( -0.000 -1.988 0.000) 1.988 5.647 ( 0.000 -1.988 0.000) 1.988 6.075 ( 0.000 11.235 0.000) 11.235 6.075 ( 0.000 11.235 0.000) 11.235 6.262 ( 0.000 -7.234 0.000) 7.234 6.262 ( -0.000 -7.234 0.000) 7.234 6.369 ( -0.000 10.856 -0.000) 10.856 6.369 ( 0.000 10.856 0.000) 10.856 6.681 ( 0.000 -17.409 0.000) 17.409 6.681 ( 0.000 -17.409 0.000) 17.409 8.450 ( -0.000 18.633 0.000) 18.633 8.450 ( 0.000 18.633 0.000) 18.633 8.760 ( 0.000 -6.839 0.000) 6.839 8.760 ( 0.000 -6.839 0.000) 6.839 9.213 ( 0.000 -2.397 0.000) 2.397 9.213 ( 0.000 -2.397 0.000) 2.397 9.293 ( -0.000 -6.603 0.000) 6.603 9.293 ( -0.000 -6.603 0.000) 6.603 10.755 ( -0.000 10.239 0.000) 10.239 10.755 ( 0.000 10.239 0.000) 10.239 11.021 ( -0.000 -13.764 0.000) 13.764 11.021 ( 0.000 -13.764 0.000) 13.764 11.431 ( 0.000 10.776 0.000) 10.776 11.431 ( 0.000 10.776 0.000) 10.776 11.630 ( 0.000 -6.941 0.000) 6.941 11.630 ( 0.000 -6.941 0.000) 6.941 12.032 ( -0.000 -1.435 0.000) 1.435 12.032 ( 0.000 -1.435 -0.000) 1.435 12.058 ( -0.000 -4.860 0.000) 4.860 12.058 ( 0.000 -4.860 0.000) 4.860 13.394 ( -0.000 3.415 0.000) 3.415 13.394 ( -0.000 3.415 0.000) 3.415 13.477 ( 0.000 -4.963 0.000) 4.963 13.477 ( 0.000 -4.963 0.000) 4.963 15.616 ( 0.000 12.033 0.000) 12.033 15.616 ( 0.000 12.033 0.000) 12.033 15.835 ( -0.000 -8.647 0.000) 8.647 15.835 ( 0.000 -8.647 0.000) 8.647 23.564 ( 0.000 1.303 0.000) 1.303 23.564 ( 0.000 1.303 0.000) 1.303 23.602 ( 0.000 -2.174 0.000) 2.174 23.602 ( 0.000 -2.174 0.000) 2.174 24.908 ( -0.000 3.175 0.000) 3.175 24.908 ( -0.000 3.175 0.000) 3.175 24.976 ( 0.000 -2.989 0.000) 2.989 24.976 ( 0.000 -2.989 0.000) 2.989 26.804 ( 0.000 2.230 0.000) 2.230 26.804 ( 0.000 2.230 0.000) 2.230 26.888 ( 0.000 -5.720 0.000) 5.720 26.888 ( 0.000 -5.720 0.000) 5.720 27.589 ( 0.000 6.171 0.000) 6.171 27.589 ( 0.000 6.171 0.000) 6.171 27.685 ( -0.000 -2.802 0.000) 2.802 27.685 ( -0.000 -2.802 0.000) 2.802 =================== 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 3/30240 10.0 1099.727 449.024 949.101 0.000 0.000 -0.000 3/30240 20.0 265.448 217.892 224.714 0.000 0.000 0.000 3/30240 30.0 105.582 70.361 80.503 0.000 0.000 0.000 3/30240 40.0 54.153 31.951 39.863 0.000 0.000 0.000 3/30240 50.0 34.165 19.115 24.553 0.000 0.000 0.000 3/30240 60.0 24.439 13.445 17.268 0.000 0.000 0.000 3/30240 70.0 18.861 10.371 13.187 0.000 0.000 0.000 3/30240 80.0 15.287 8.460 10.628 0.000 0.000 0.000 3/30240 90.0 12.819 7.160 8.891 0.000 0.000 0.000 3/30240 100.0 11.022 6.219 7.641 0.000 0.000 0.000 3/30240 110.0 9.662 5.508 6.703 0.000 0.000 0.000 3/30240 120.0 8.599 4.951 5.973 0.000 0.000 0.000 3/30240 130.0 7.749 4.505 5.391 0.000 0.000 0.000 3/30240 140.0 7.054 4.138 4.915 0.000 0.000 0.000 3/30240 150.0 6.477 3.832 4.520 0.000 0.000 0.000 3/30240 160.0 5.989 3.571 4.185 0.000 0.000 0.000 3/30240 170.0 5.573 3.348 3.899 0.000 0.000 0.000 3/30240 180.0 5.213 3.153 3.652 0.000 0.000 0.000 3/30240 190.0 4.899 2.981 3.435 0.000 0.000 0.000 3/30240 200.0 4.622 2.829 3.244 0.000 0.000 0.000 3/30240 210.0 4.377 2.693 3.074 0.000 0.000 0.000 3/30240 220.0 4.157 2.571 2.922 0.000 0.000 0.000 3/30240 230.0 3.960 2.460 2.785 0.000 0.000 0.000 3/30240 240.0 3.782 2.359 2.661 0.000 0.000 0.000 3/30240 250.0 3.620 2.266 2.548 0.000 0.000 0.000 3/30240 260.0 3.472 2.182 2.444 0.000 0.000 0.000 3/30240 270.0 3.337 2.103 2.350 0.000 0.000 0.000 3/30240 280.0 3.212 2.031 2.262 0.000 0.000 0.000 3/30240 290.0 3.097 1.963 2.182 0.000 0.000 0.000 3/30240 300.0 2.990 1.900 2.107 0.000 0.000 0.000 3/30240 310.0 2.891 1.842 2.037 0.000 0.000 0.000 3/30240 320.0 2.798 1.787 1.972 0.000 0.000 0.000 3/30240 330.0 2.711 1.735 1.911 0.000 0.000 0.000 3/30240 340.0 2.630 1.686 1.854 0.000 0.000 0.000 3/30240 350.0 2.554 1.641 1.800 0.000 0.000 0.000 3/30240 360.0 2.483 1.597 1.750 0.000 0.000 0.000 3/30240 370.0 2.415 1.556 1.702 0.000 0.000 0.000 3/30240 380.0 2.351 1.517 1.657 0.000 0.000 0.000 3/30240 390.0 2.291 1.480 1.615 0.000 0.000 0.000 3/30240 400.0 2.233 1.445 1.574 0.000 0.000 0.000 3/30240 410.0 2.179 1.412 1.536 0.000 0.000 0.000 3/30240 420.0 2.127 1.380 1.499 0.000 0.000 0.000 3/30240 430.0 2.078 1.349 1.465 0.000 0.000 0.000 3/30240 440.0 2.031 1.320 1.431 0.000 0.000 0.000 3/30240 450.0 1.986 1.292 1.400 0.000 0.000 0.000 3/30240 460.0 1.943 1.266 1.370 0.000 0.000 0.000 3/30240 470.0 1.902 1.240 1.341 0.000 0.000 0.000 3/30240 480.0 1.863 1.215 1.313 0.000 0.000 0.000 3/30240 490.0 1.825 1.192 1.286 0.000 0.000 0.000 3/30240 500.0 1.789 1.169 1.261 0.000 0.000 0.000 3/30240 510.0 1.754 1.147 1.236 0.000 0.000 0.000 3/30240 520.0 1.721 1.126 1.213 0.000 0.000 0.000 3/30240 530.0 1.689 1.106 1.190 0.000 0.000 0.000 3/30240 540.0 1.658 1.086 1.168 0.000 0.000 0.000 3/30240 550.0 1.628 1.068 1.147 0.000 0.000 0.000 3/30240 560.0 1.599 1.049 1.127 0.000 0.000 0.000 3/30240 570.0 1.572 1.032 1.107 0.000 0.000 0.000 3/30240 580.0 1.545 1.015 1.089 0.000 0.000 0.000 3/30240 590.0 1.519 0.998 1.070 0.000 0.000 0.000 3/30240 600.0 1.494 0.982 1.053 0.000 0.000 0.000 3/30240 610.0 1.470 0.967 1.036 0.000 0.000 0.000 3/30240 620.0 1.447 0.952 1.019 0.000 0.000 0.000 3/30240 630.0 1.424 0.937 1.003 0.000 0.000 0.000 3/30240 640.0 1.402 0.923 0.988 0.000 0.000 0.000 3/30240 650.0 1.381 0.910 0.973 0.000 0.000 0.000 3/30240 660.0 1.360 0.896 0.958 0.000 0.000 0.000 3/30240 670.0 1.340 0.883 0.944 0.000 0.000 0.000 3/30240 680.0 1.321 0.871 0.930 0.000 0.000 0.000 3/30240 690.0 1.302 0.859 0.917 0.000 0.000 0.000 3/30240 700.0 1.283 0.847 0.904 0.000 0.000 0.000 3/30240 710.0 1.266 0.835 0.891 0.000 0.000 0.000 3/30240 720.0 1.248 0.824 0.879 0.000 0.000 0.000 3/30240 730.0 1.231 0.813 0.867 0.000 0.000 0.000 3/30240 740.0 1.215 0.803 0.856 0.000 0.000 0.000 3/30240 750.0 1.199 0.792 0.844 0.000 0.000 0.000 3/30240 760.0 1.183 0.782 0.833 0.000 0.000 0.000 3/30240 770.0 1.168 0.772 0.823 0.000 0.000 0.000 3/30240 780.0 1.153 0.763 0.812 0.000 0.000 0.000 3/30240 790.0 1.139 0.753 0.802 0.000 0.000 0.000 3/30240 800.0 1.125 0.744 0.792 0.000 0.000 0.000 3/30240 810.0 1.111 0.735 0.782 0.000 0.000 0.000 3/30240 820.0 1.098 0.727 0.773 0.000 0.000 0.000 3/30240 830.0 1.085 0.718 0.764 0.000 0.000 0.000 3/30240 840.0 1.072 0.710 0.755 0.000 0.000 0.000 3/30240 850.0 1.060 0.702 0.746 0.000 0.000 0.000 3/30240 860.0 1.047 0.694 0.737 0.000 0.000 0.000 3/30240 870.0 1.035 0.686 0.729 0.000 0.000 0.000 3/30240 880.0 1.024 0.678 0.721 0.000 0.000 0.000 3/30240 890.0 1.012 0.671 0.713 0.000 0.000 0.000 3/30240 900.0 1.001 0.664 0.705 0.000 0.000 0.000 3/30240 910.0 0.990 0.657 0.697 0.000 0.000 0.000 3/30240 920.0 0.980 0.650 0.690 0.000 0.000 0.000 3/30240 930.0 0.969 0.643 0.682 0.000 0.000 0.000 3/30240 940.0 0.959 0.636 0.675 0.000 0.000 0.000 3/30240 950.0 0.949 0.630 0.668 0.000 0.000 0.000 3/30240 960.0 0.939 0.623 0.661 0.000 0.000 0.000 3/30240 970.0 0.930 0.617 0.655 0.000 0.000 0.000 3/30240 980.0 0.920 0.611 0.648 0.000 0.000 0.000 3/30240 990.0 0.911 0.605 0.642 0.000 0.000 0.000 3/30240 1000.0 0.902 0.599 0.635 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m6710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:18:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|