----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:38:04]------------------------- 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: [2 1 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 5.888430160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.121688630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.554049550000000 Atomic positions (fractional): *1 Sm 0.06591632290132 0.75000000000000 0.97716341841154 150.360 2 Sm 0.43408367709868 0.25000000000000 0.47716341841155 150.360 3 Sm 0.56591632290132 0.75000000000000 0.52283658158846 150.360 4 Sm 0.93408367709868 0.25000000000000 0.02283658158846 150.360 *5 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 6 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 7 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 *9 O 0.05970361331184 0.25000000000000 0.63482231243605 15.999 *10 O 0.19321316168171 0.06978872150655 0.18930582852168 15.999 11 O 0.19321316168171 0.43021127849345 0.18930582852168 15.999 12 O 0.30678683831829 0.93021127849345 0.68930582852168 15.999 13 O 0.30678683831829 0.56978872150655 0.68930582852168 15.999 14 O 0.44029638668816 0.75000000000000 0.13482231243605 15.999 15 O 0.55970361331184 0.25000000000000 0.86517768756395 15.999 16 O 0.69321316168171 0.43021127849345 0.31069417147832 15.999 17 O 0.69321316168171 0.06978872150655 0.31069417147832 15.999 18 O 0.80678683831829 0.56978872150655 0.81069417147832 15.999 19 O 0.80678683831829 0.93021127849345 0.81069417147832 15.999 20 O 0.94029638668816 0.75000000000000 0.36517768756395 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.888430160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.121688630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.554049550000000 Atomic positions (fractional): *1 Sm 0.06591632290132 0.75000000000000 0.97716341841154 150.360 > 1 2 Sm 0.43408367709868 0.25000000000000 0.47716341841155 150.360 > 2 3 Sm 0.56591632290132 0.75000000000000 0.52283658158846 150.360 > 3 4 Sm 0.93408367709868 0.25000000000000 0.02283658158846 150.360 > 4 *5 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 5 6 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 6 7 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 7 8 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 8 *9 O 0.05970361331184 0.25000000000000 0.63482231243605 15.999 > 9 *10 O 0.19321316168171 0.06978872150655 0.18930582852168 15.999 > 10 11 O 0.19321316168171 0.43021127849345 0.18930582852168 15.999 > 11 12 O 0.30678683831829 0.93021127849345 0.68930582852168 15.999 > 12 13 O 0.30678683831829 0.56978872150655 0.68930582852168 15.999 > 13 14 O 0.44029638668816 0.75000000000000 0.13482231243605 15.999 > 14 15 O 0.55970361331184 0.25000000000000 0.86517768756395 15.999 > 15 16 O 0.69321316168171 0.43021127849345 0.31069417147832 15.999 > 16 17 O 0.69321316168171 0.06978872150655 0.31069417147832 15.999 > 17 18 O 0.80678683831829 0.56978872150655 0.81069417147832 15.999 > 18 19 O 0.80678683831829 0.93021127849345 0.81069417147832 15.999 > 19 20 O 0.94029638668816 0.75000000000000 0.36517768756395 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.776860320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.121688630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.108099100000000 Atomic positions (fractional): *1 Sm 0.03295816145066 0.75000000000000 0.48858170920577 150.360 > 1 2 Sm 0.53295816145066 0.75000000000000 0.48858170920577 150.360 > 1 3 Sm 0.03295816145066 0.75000000000000 0.98858170920577 150.360 > 1 4 Sm 0.53295816145066 0.75000000000000 0.98858170920577 150.360 > 1 5 Sm 0.21704183854934 0.25000000000000 0.23858170920577 150.360 > 2 6 Sm 0.71704183854934 0.25000000000000 0.23858170920577 150.360 > 2 7 Sm 0.21704183854934 0.25000000000000 0.73858170920577 150.360 > 2 8 Sm 0.71704183854934 0.25000000000000 0.73858170920577 150.360 > 2 9 Sm 0.28295816145066 0.75000000000000 0.26141829079423 150.360 > 3 10 Sm 0.78295816145066 0.75000000000000 0.26141829079423 150.360 > 3 11 Sm 0.28295816145066 0.75000000000000 0.76141829079423 150.360 > 3 12 Sm 0.78295816145066 0.75000000000000 0.76141829079423 150.360 > 3 13 Sm 0.46704183854934 0.25000000000000 0.01141829079423 150.360 > 4 14 Sm 0.96704183854934 0.25000000000000 0.01141829079423 150.360 > 4 15 Sm 0.46704183854934 0.25000000000000 0.51141829079423 150.360 > 4 16 Sm 0.96704183854934 0.25000000000000 0.51141829079423 150.360 > 4 *17 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 5 18 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 5 19 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 5 20 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 5 21 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 6 22 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 6 23 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 6 24 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 6 25 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 7 26 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 7 27 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 7 28 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 7 29 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 8 30 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 8 31 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 8 32 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 8 *33 O 0.02985180665592 0.25000000000000 0.31741115621802 15.999 > 9 34 O 0.52985180665592 0.25000000000000 0.31741115621802 15.999 > 9 35 O 0.02985180665592 0.25000000000000 0.81741115621802 15.999 > 9 36 O 0.52985180665592 0.25000000000000 0.81741115621802 15.999 > 9 *37 O 0.09660658084085 0.06978872150655 0.09465291426084 15.999 > 10 38 O 0.59660658084085 0.06978872150655 0.09465291426084 15.999 > 10 39 O 0.09660658084085 0.06978872150655 0.59465291426084 15.999 > 10 40 O 0.59660658084085 0.06978872150655 0.59465291426084 15.999 > 10 41 O 0.09660658084085 0.43021127849345 0.09465291426084 15.999 > 11 42 O 0.59660658084085 0.43021127849345 0.09465291426084 15.999 > 11 43 O 0.09660658084085 0.43021127849345 0.59465291426084 15.999 > 11 44 O 0.59660658084085 0.43021127849345 0.59465291426084 15.999 > 11 45 O 0.15339341915915 0.93021127849345 0.34465291426084 15.999 > 12 46 O 0.65339341915915 0.93021127849345 0.34465291426084 15.999 > 12 47 O 0.15339341915915 0.93021127849345 0.84465291426084 15.999 > 12 48 O 0.65339341915915 0.93021127849345 0.84465291426084 15.999 > 12 49 O 0.15339341915915 0.56978872150655 0.34465291426084 15.999 > 13 50 O 0.65339341915915 0.56978872150655 0.34465291426084 15.999 > 13 51 O 0.15339341915915 0.56978872150655 0.84465291426084 15.999 > 13 52 O 0.65339341915915 0.56978872150655 0.84465291426084 15.999 > 13 53 O 0.22014819334408 0.75000000000000 0.06741115621802 15.999 > 14 54 O 0.72014819334408 0.75000000000000 0.06741115621802 15.999 > 14 55 O 0.22014819334408 0.75000000000000 0.56741115621802 15.999 > 14 56 O 0.72014819334408 0.75000000000000 0.56741115621802 15.999 > 14 57 O 0.27985180665592 0.25000000000000 0.43258884378198 15.999 > 15 58 O 0.77985180665592 0.25000000000000 0.43258884378198 15.999 > 15 59 O 0.27985180665592 0.25000000000000 0.93258884378198 15.999 > 15 60 O 0.77985180665592 0.25000000000000 0.93258884378198 15.999 > 15 61 O 0.34660658084085 0.43021127849345 0.15534708573916 15.999 > 16 62 O 0.84660658084085 0.43021127849345 0.15534708573916 15.999 > 16 63 O 0.34660658084085 0.43021127849345 0.65534708573916 15.999 > 16 64 O 0.84660658084085 0.43021127849345 0.65534708573916 15.999 > 16 65 O 0.34660658084085 0.06978872150655 0.15534708573916 15.999 > 17 66 O 0.84660658084085 0.06978872150655 0.15534708573916 15.999 > 17 67 O 0.34660658084085 0.06978872150655 0.65534708573916 15.999 > 17 68 O 0.84660658084085 0.06978872150655 0.65534708573916 15.999 > 17 69 O 0.40339341915915 0.56978872150655 0.40534708573916 15.999 > 18 70 O 0.90339341915915 0.56978872150655 0.40534708573916 15.999 > 18 71 O 0.40339341915915 0.56978872150655 0.90534708573916 15.999 > 18 72 O 0.90339341915915 0.56978872150655 0.90534708573916 15.999 > 18 73 O 0.40339341915915 0.93021127849345 0.40534708573916 15.999 > 19 74 O 0.90339341915915 0.93021127849345 0.40534708573916 15.999 > 19 75 O 0.40339341915915 0.93021127849345 0.90534708573916 15.999 > 19 76 O 0.90339341915915 0.93021127849345 0.90534708573916 15.999 > 19 77 O 0.47014819334408 0.75000000000000 0.18258884378198 15.999 > 20 78 O 0.97014819334408 0.75000000000000 0.18258884378198 15.999 > 20 79 O 0.47014819334408 0.75000000000000 0.68258884378198 15.999 > 20 80 O 0.97014819334408 0.75000000000000 0.68258884378198 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8731422 0.0000000 0.0000000 0.0000000 4.6371172 0.0000000 0.0000000 0.0000000 4.8203813 -------------------------- Born effective charges -------------------------- 1 Sm 4.1778320 0.0000000 0.1319687 0.0000000 3.4625733 0.0000000 0.2263218 0.0000000 4.1084330 2 Sm 4.1778320 0.0000000 -0.1319687 0.0000000 3.4625733 0.0000000 -0.2263218 0.0000000 4.1084330 3 Sm 4.1778320 0.0000000 -0.1319687 0.0000000 3.4625733 0.0000000 -0.2263218 0.0000000 4.1084330 4 Sm 4.1778320 0.0000000 0.1319687 0.0000000 3.4625733 0.0000000 0.2263218 0.0000000 4.1084330 5 In 3.3625311 -0.0859042 0.0875473 -0.0831732 3.3131116 -0.0168721 0.1519168 0.1602670 3.2698930 6 In 3.3625311 0.0859042 0.0875473 0.0831732 3.3131116 0.0168721 0.1519168 -0.1602670 3.2698930 7 In 3.3625311 -0.0859042 -0.0875473 -0.0831732 3.3131116 0.0168721 -0.1519168 -0.1602670 3.2698930 8 In 3.3625311 0.0859042 -0.0875473 0.0831732 3.3131116 -0.0168721 -0.1519168 0.1602670 3.2698930 9 O -2.2293411 0.0000000 0.5643569 0.0000000 -2.3695946 0.0000000 0.5217245 0.0000000 -2.7223029 10 O -2.6555110 0.2055398 0.0258262 0.2650674 -2.2030451 -0.0303006 -0.0001998 -0.0444844 -2.3280116 11 O -2.6555110 -0.2055398 0.0258262 -0.2650674 -2.2030451 0.0303006 -0.0001998 0.0444844 -2.3280116 12 O -2.6555110 0.2055398 -0.0258262 0.2650674 -2.2030451 0.0303006 0.0001998 0.0444844 -2.3280116 13 O -2.6555110 -0.2055398 -0.0258262 -0.2650674 -2.2030451 -0.0303006 0.0001998 -0.0444844 -2.3280116 14 O -2.2293411 0.0000000 -0.5643569 0.0000000 -2.3695946 0.0000000 -0.5217245 0.0000000 -2.7223029 15 O -2.2293411 0.0000000 -0.5643569 0.0000000 -2.3695946 0.0000000 -0.5217245 0.0000000 -2.7223029 16 O -2.6555110 -0.2055398 -0.0258262 -0.2650674 -2.2030451 -0.0303006 0.0001998 -0.0444844 -2.3280116 17 O -2.6555110 0.2055398 -0.0258262 0.2650674 -2.2030451 0.0303006 0.0001998 0.0444844 -2.3280116 18 O -2.6555110 -0.2055398 0.0258262 -0.2650674 -2.2030451 0.0303006 -0.0001998 0.0444844 -2.3280116 19 O -2.6555110 0.2055398 0.0258262 0.2650674 -2.2030451 -0.0303006 -0.0001998 -0.0444844 -2.3280116 20 O -2.2293411 0.0000000 0.5643569 0.0000000 -2.3695946 0.0000000 0.5217245 0.0000000 -2.7223029 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.757 Solver_block: 200 / 320 - Time: 0.746 Solver_block: 300 / 320 - Time: 0.747 Solver_block: 320 / 320 - Time: 0.193 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.460 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 22:38:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:38:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888430160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.121688630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.554049550000000 Atomic positions (fractional): 1 Sm 0.06591632290132 0.75000000000000 0.97716341841154 150.360 2 Sm 0.43408367709868 0.25000000000000 0.47716341841155 150.360 3 Sm 0.56591632290132 0.75000000000000 0.52283658158846 150.360 4 Sm 0.93408367709868 0.25000000000000 0.02283658158846 150.360 5 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 6 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 7 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 9 O 0.05970361331184 0.25000000000000 0.63482231243605 15.999 10 O 0.19321316168171 0.06978872150655 0.18930582852168 15.999 11 O 0.19321316168171 0.43021127849345 0.18930582852168 15.999 12 O 0.30678683831829 0.93021127849345 0.68930582852168 15.999 13 O 0.30678683831829 0.56978872150655 0.68930582852168 15.999 14 O 0.44029638668816 0.75000000000000 0.13482231243605 15.999 15 O 0.55970361331184 0.25000000000000 0.86517768756395 15.999 16 O 0.69321316168171 0.43021127849345 0.31069417147832 15.999 17 O 0.69321316168171 0.06978872150655 0.31069417147832 15.999 18 O 0.80678683831829 0.56978872150655 0.81069417147832 15.999 19 O 0.80678683831829 0.93021127849345 0.81069417147832 15.999 20 O 0.94029638668816 0.75000000000000 0.36517768756395 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.776860320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.121688630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.108099100000000 Atomic positions (fractional): 1 Sm 0.03295816145066 0.75000000000000 0.48858170920577 150.360 > 1 2 Sm 0.53295816145066 0.75000000000000 0.48858170920577 150.360 > 1 3 Sm 0.03295816145066 0.75000000000000 0.98858170920577 150.360 > 1 4 Sm 0.53295816145066 0.75000000000000 0.98858170920577 150.360 > 1 5 Sm 0.21704183854934 0.25000000000000 0.23858170920577 150.360 > 5 6 Sm 0.71704183854934 0.25000000000000 0.23858170920577 150.360 > 5 7 Sm 0.21704183854934 0.25000000000000 0.73858170920577 150.360 > 5 8 Sm 0.71704183854934 0.25000000000000 0.73858170920577 150.360 > 5 9 Sm 0.28295816145066 0.75000000000000 0.26141829079423 150.360 > 9 10 Sm 0.78295816145066 0.75000000000000 0.26141829079423 150.360 > 9 11 Sm 0.28295816145066 0.75000000000000 0.76141829079423 150.360 > 9 12 Sm 0.78295816145066 0.75000000000000 0.76141829079423 150.360 > 9 13 Sm 0.46704183854934 0.25000000000000 0.01141829079423 150.360 > 13 14 Sm 0.96704183854934 0.25000000000000 0.01141829079423 150.360 > 13 15 Sm 0.46704183854934 0.25000000000000 0.51141829079423 150.360 > 13 16 Sm 0.96704183854934 0.25000000000000 0.51141829079423 150.360 > 13 17 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 17 18 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 17 19 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 17 20 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 17 21 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 21 22 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 21 23 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 21 24 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 21 25 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 25 26 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 25 27 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 25 28 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 25 29 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 29 30 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 29 31 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 29 32 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 29 33 O 0.02985180665592 0.25000000000000 0.31741115621802 15.999 > 33 34 O 0.52985180665592 0.25000000000000 0.31741115621802 15.999 > 33 35 O 0.02985180665592 0.25000000000000 0.81741115621802 15.999 > 33 36 O 0.52985180665592 0.25000000000000 0.81741115621802 15.999 > 33 37 O 0.09660658084085 0.06978872150655 0.09465291426084 15.999 > 37 38 O 0.59660658084085 0.06978872150655 0.09465291426084 15.999 > 37 39 O 0.09660658084085 0.06978872150655 0.59465291426084 15.999 > 37 40 O 0.59660658084085 0.06978872150655 0.59465291426084 15.999 > 37 41 O 0.09660658084085 0.43021127849345 0.09465291426084 15.999 > 41 42 O 0.59660658084085 0.43021127849345 0.09465291426084 15.999 > 41 43 O 0.09660658084085 0.43021127849345 0.59465291426084 15.999 > 41 44 O 0.59660658084085 0.43021127849345 0.59465291426084 15.999 > 41 45 O 0.15339341915915 0.93021127849345 0.34465291426084 15.999 > 45 46 O 0.65339341915915 0.93021127849345 0.34465291426084 15.999 > 45 47 O 0.15339341915915 0.93021127849345 0.84465291426084 15.999 > 45 48 O 0.65339341915915 0.93021127849345 0.84465291426084 15.999 > 45 49 O 0.15339341915915 0.56978872150655 0.34465291426084 15.999 > 49 50 O 0.65339341915915 0.56978872150655 0.34465291426084 15.999 > 49 51 O 0.15339341915915 0.56978872150655 0.84465291426084 15.999 > 49 52 O 0.65339341915915 0.56978872150655 0.84465291426084 15.999 > 49 53 O 0.22014819334408 0.75000000000000 0.06741115621802 15.999 > 53 54 O 0.72014819334408 0.75000000000000 0.06741115621802 15.999 > 53 55 O 0.22014819334408 0.75000000000000 0.56741115621802 15.999 > 53 56 O 0.72014819334408 0.75000000000000 0.56741115621802 15.999 > 53 57 O 0.27985180665592 0.25000000000000 0.43258884378198 15.999 > 57 58 O 0.77985180665592 0.25000000000000 0.43258884378198 15.999 > 57 59 O 0.27985180665592 0.25000000000000 0.93258884378198 15.999 > 57 60 O 0.77985180665592 0.25000000000000 0.93258884378198 15.999 > 57 61 O 0.34660658084085 0.43021127849345 0.15534708573916 15.999 > 61 62 O 0.84660658084085 0.43021127849345 0.15534708573916 15.999 > 61 63 O 0.34660658084085 0.43021127849345 0.65534708573916 15.999 > 61 64 O 0.84660658084085 0.43021127849345 0.65534708573916 15.999 > 61 65 O 0.34660658084085 0.06978872150655 0.15534708573916 15.999 > 65 66 O 0.84660658084085 0.06978872150655 0.15534708573916 15.999 > 65 67 O 0.34660658084085 0.06978872150655 0.65534708573916 15.999 > 65 68 O 0.84660658084085 0.06978872150655 0.65534708573916 15.999 > 65 69 O 0.40339341915915 0.56978872150655 0.40534708573916 15.999 > 69 70 O 0.90339341915915 0.56978872150655 0.40534708573916 15.999 > 69 71 O 0.40339341915915 0.56978872150655 0.90534708573916 15.999 > 69 72 O 0.90339341915915 0.56978872150655 0.90534708573916 15.999 > 69 73 O 0.40339341915915 0.93021127849345 0.40534708573916 15.999 > 73 74 O 0.90339341915915 0.93021127849345 0.40534708573916 15.999 > 73 75 O 0.40339341915915 0.93021127849345 0.90534708573916 15.999 > 73 76 O 0.90339341915915 0.93021127849345 0.90534708573916 15.999 > 73 77 O 0.47014819334408 0.75000000000000 0.18258884378198 15.999 > 77 78 O 0.97014819334408 0.75000000000000 0.18258884378198 15.999 > 77 79 O 0.47014819334408 0.75000000000000 0.68258884378198 15.999 > 77 80 O 0.97014819334408 0.75000000000000 0.68258884378198 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8731422 0.0000000 0.0000000 0.0000000 4.6371172 0.0000000 0.0000000 0.0000000 4.8203813 -------------------------- Born effective charges -------------------------- 1 Sm 4.1778320 0.0000000 0.1319687 0.0000000 3.4625733 0.0000000 0.2263218 0.0000000 4.1084330 2 Sm 4.1778320 0.0000000 -0.1319687 0.0000000 3.4625733 0.0000000 -0.2263218 0.0000000 4.1084330 3 Sm 4.1778320 0.0000000 -0.1319687 0.0000000 3.4625733 0.0000000 -0.2263218 0.0000000 4.1084330 4 Sm 4.1778320 0.0000000 0.1319687 0.0000000 3.4625733 0.0000000 0.2263218 0.0000000 4.1084330 5 In 3.3625311 -0.0859042 0.0875473 -0.0831732 3.3131116 -0.0168721 0.1519168 0.1602670 3.2698930 6 In 3.3625311 0.0859042 0.0875473 0.0831732 3.3131116 0.0168721 0.1519168 -0.1602670 3.2698930 7 In 3.3625311 -0.0859042 -0.0875473 -0.0831732 3.3131116 0.0168721 -0.1519168 -0.1602670 3.2698930 8 In 3.3625311 0.0859042 -0.0875473 0.0831732 3.3131116 -0.0168721 -0.1519168 0.1602670 3.2698930 9 O -2.2293411 0.0000000 0.5643569 0.0000000 -2.3695946 0.0000000 0.5217245 0.0000000 -2.7223029 10 O -2.6555110 0.2055398 0.0258262 0.2650674 -2.2030451 -0.0303006 -0.0001998 -0.0444844 -2.3280116 11 O -2.6555110 -0.2055398 0.0258262 -0.2650674 -2.2030451 0.0303006 -0.0001998 0.0444844 -2.3280116 12 O -2.6555110 0.2055398 -0.0258262 0.2650674 -2.2030451 0.0303006 0.0001998 0.0444844 -2.3280116 13 O -2.6555110 -0.2055398 -0.0258262 -0.2650674 -2.2030451 -0.0303006 0.0001998 -0.0444844 -2.3280116 14 O -2.2293411 0.0000000 -0.5643569 0.0000000 -2.3695946 0.0000000 -0.5217245 0.0000000 -2.7223029 15 O -2.2293411 0.0000000 -0.5643569 0.0000000 -2.3695946 0.0000000 -0.5217245 0.0000000 -2.7223029 16 O -2.6555110 -0.2055398 -0.0258262 -0.2650674 -2.2030451 -0.0303006 0.0001998 -0.0444844 -2.3280116 17 O -2.6555110 0.2055398 -0.0258262 0.2650674 -2.2030451 0.0303006 0.0001998 0.0444844 -2.3280116 18 O -2.6555110 -0.2055398 0.0258262 -0.2650674 -2.2030451 0.0303006 -0.0001998 0.0444844 -2.3280116 19 O -2.6555110 0.2055398 0.0258262 0.2650674 -2.2030451 -0.0303006 -0.0001998 -0.0444844 -2.3280116 20 O -2.2293411 0.0000000 0.5643569 0.0000000 -2.3695946 0.0000000 0.5217245 0.0000000 -2.7223029 ---------------------------------------------------------------------------- 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (xyy) 0.00000006 (xyy) 0.00000006 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xz) 0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:38:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:38:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888430160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.121688630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.554049550000000 Atomic positions (fractional): 1 Sm 0.06591632290132 0.75000000000000 0.97716341841154 150.360 2 Sm 0.43408367709868 0.25000000000000 0.47716341841155 150.360 3 Sm 0.56591632290132 0.75000000000000 0.52283658158846 150.360 4 Sm 0.93408367709868 0.25000000000000 0.02283658158846 150.360 5 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 6 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 7 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 9 O 0.05970361331184 0.25000000000000 0.63482231243605 15.999 10 O 0.19321316168171 0.06978872150655 0.18930582852168 15.999 11 O 0.19321316168171 0.43021127849345 0.18930582852168 15.999 12 O 0.30678683831829 0.93021127849345 0.68930582852168 15.999 13 O 0.30678683831829 0.56978872150655 0.68930582852168 15.999 14 O 0.44029638668816 0.75000000000000 0.13482231243605 15.999 15 O 0.55970361331184 0.25000000000000 0.86517768756395 15.999 16 O 0.69321316168171 0.43021127849345 0.31069417147832 15.999 17 O 0.69321316168171 0.06978872150655 0.31069417147832 15.999 18 O 0.80678683831829 0.56978872150655 0.81069417147832 15.999 19 O 0.80678683831829 0.93021127849345 0.81069417147832 15.999 20 O 0.94029638668816 0.75000000000000 0.36517768756395 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.776860320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.121688630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.108099100000000 Atomic positions (fractional): 1 Sm 0.03295816145066 0.75000000000000 0.48858170920577 150.360 > 1 2 Sm 0.53295816145066 0.75000000000000 0.48858170920577 150.360 > 1 3 Sm 0.03295816145066 0.75000000000000 0.98858170920577 150.360 > 1 4 Sm 0.53295816145066 0.75000000000000 0.98858170920577 150.360 > 1 5 Sm 0.21704183854934 0.25000000000000 0.23858170920577 150.360 > 5 6 Sm 0.71704183854934 0.25000000000000 0.23858170920577 150.360 > 5 7 Sm 0.21704183854934 0.25000000000000 0.73858170920577 150.360 > 5 8 Sm 0.71704183854934 0.25000000000000 0.73858170920577 150.360 > 5 9 Sm 0.28295816145066 0.75000000000000 0.26141829079423 150.360 > 9 10 Sm 0.78295816145066 0.75000000000000 0.26141829079423 150.360 > 9 11 Sm 0.28295816145066 0.75000000000000 0.76141829079423 150.360 > 9 12 Sm 0.78295816145066 0.75000000000000 0.76141829079423 150.360 > 9 13 Sm 0.46704183854934 0.25000000000000 0.01141829079423 150.360 > 13 14 Sm 0.96704183854934 0.25000000000000 0.01141829079423 150.360 > 13 15 Sm 0.46704183854934 0.25000000000000 0.51141829079423 150.360 > 13 16 Sm 0.96704183854934 0.25000000000000 0.51141829079423 150.360 > 13 17 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 17 18 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 17 19 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 17 20 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 17 21 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 21 22 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 21 23 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 21 24 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 21 25 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 25 26 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 25 27 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 25 28 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 25 29 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 29 30 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 29 31 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 29 32 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 29 33 O 0.02985180665592 0.25000000000000 0.31741115621802 15.999 > 33 34 O 0.52985180665592 0.25000000000000 0.31741115621802 15.999 > 33 35 O 0.02985180665592 0.25000000000000 0.81741115621802 15.999 > 33 36 O 0.52985180665592 0.25000000000000 0.81741115621802 15.999 > 33 37 O 0.09660658084085 0.06978872150655 0.09465291426084 15.999 > 37 38 O 0.59660658084085 0.06978872150655 0.09465291426084 15.999 > 37 39 O 0.09660658084085 0.06978872150655 0.59465291426084 15.999 > 37 40 O 0.59660658084085 0.06978872150655 0.59465291426084 15.999 > 37 41 O 0.09660658084085 0.43021127849345 0.09465291426084 15.999 > 41 42 O 0.59660658084085 0.43021127849345 0.09465291426084 15.999 > 41 43 O 0.09660658084085 0.43021127849345 0.59465291426084 15.999 > 41 44 O 0.59660658084085 0.43021127849345 0.59465291426084 15.999 > 41 45 O 0.15339341915915 0.93021127849345 0.34465291426084 15.999 > 45 46 O 0.65339341915915 0.93021127849345 0.34465291426084 15.999 > 45 47 O 0.15339341915915 0.93021127849345 0.84465291426084 15.999 > 45 48 O 0.65339341915915 0.93021127849345 0.84465291426084 15.999 > 45 49 O 0.15339341915915 0.56978872150655 0.34465291426084 15.999 > 49 50 O 0.65339341915915 0.56978872150655 0.34465291426084 15.999 > 49 51 O 0.15339341915915 0.56978872150655 0.84465291426084 15.999 > 49 52 O 0.65339341915915 0.56978872150655 0.84465291426084 15.999 > 49 53 O 0.22014819334408 0.75000000000000 0.06741115621802 15.999 > 53 54 O 0.72014819334408 0.75000000000000 0.06741115621802 15.999 > 53 55 O 0.22014819334408 0.75000000000000 0.56741115621802 15.999 > 53 56 O 0.72014819334408 0.75000000000000 0.56741115621802 15.999 > 53 57 O 0.27985180665592 0.25000000000000 0.43258884378198 15.999 > 57 58 O 0.77985180665592 0.25000000000000 0.43258884378198 15.999 > 57 59 O 0.27985180665592 0.25000000000000 0.93258884378198 15.999 > 57 60 O 0.77985180665592 0.25000000000000 0.93258884378198 15.999 > 57 61 O 0.34660658084085 0.43021127849345 0.15534708573916 15.999 > 61 62 O 0.84660658084085 0.43021127849345 0.15534708573916 15.999 > 61 63 O 0.34660658084085 0.43021127849345 0.65534708573916 15.999 > 61 64 O 0.84660658084085 0.43021127849345 0.65534708573916 15.999 > 61 65 O 0.34660658084085 0.06978872150655 0.15534708573916 15.999 > 65 66 O 0.84660658084085 0.06978872150655 0.15534708573916 15.999 > 65 67 O 0.34660658084085 0.06978872150655 0.65534708573916 15.999 > 65 68 O 0.84660658084085 0.06978872150655 0.65534708573916 15.999 > 65 69 O 0.40339341915915 0.56978872150655 0.40534708573916 15.999 > 69 70 O 0.90339341915915 0.56978872150655 0.40534708573916 15.999 > 69 71 O 0.40339341915915 0.56978872150655 0.90534708573916 15.999 > 69 72 O 0.90339341915915 0.56978872150655 0.90534708573916 15.999 > 69 73 O 0.40339341915915 0.93021127849345 0.40534708573916 15.999 > 73 74 O 0.90339341915915 0.93021127849345 0.40534708573916 15.999 > 73 75 O 0.40339341915915 0.93021127849345 0.90534708573916 15.999 > 73 76 O 0.90339341915915 0.93021127849345 0.90534708573916 15.999 > 73 77 O 0.47014819334408 0.75000000000000 0.18258884378198 15.999 > 77 78 O 0.97014819334408 0.75000000000000 0.18258884378198 15.999 > 77 79 O 0.47014819334408 0.75000000000000 0.68258884378198 15.999 > 77 80 O 0.97014819334408 0.75000000000000 0.68258884378198 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8731422 0.0000000 0.0000000 0.0000000 4.6371172 0.0000000 0.0000000 0.0000000 4.8203813 -------------------------- Born effective charges -------------------------- 1 Sm 4.1778320 0.0000000 0.1319687 0.0000000 3.4625733 0.0000000 0.2263218 0.0000000 4.1084330 2 Sm 4.1778320 0.0000000 -0.1319687 0.0000000 3.4625733 0.0000000 -0.2263218 0.0000000 4.1084330 3 Sm 4.1778320 0.0000000 -0.1319687 0.0000000 3.4625733 0.0000000 -0.2263218 0.0000000 4.1084330 4 Sm 4.1778320 0.0000000 0.1319687 0.0000000 3.4625733 0.0000000 0.2263218 0.0000000 4.1084330 5 In 3.3625311 -0.0859042 0.0875473 -0.0831732 3.3131116 -0.0168721 0.1519168 0.1602670 3.2698930 6 In 3.3625311 0.0859042 0.0875473 0.0831732 3.3131116 0.0168721 0.1519168 -0.1602670 3.2698930 7 In 3.3625311 -0.0859042 -0.0875473 -0.0831732 3.3131116 0.0168721 -0.1519168 -0.1602670 3.2698930 8 In 3.3625311 0.0859042 -0.0875473 0.0831732 3.3131116 -0.0168721 -0.1519168 0.1602670 3.2698930 9 O -2.2293411 0.0000000 0.5643569 0.0000000 -2.3695946 0.0000000 0.5217245 0.0000000 -2.7223029 10 O -2.6555110 0.2055398 0.0258262 0.2650674 -2.2030451 -0.0303006 -0.0001998 -0.0444844 -2.3280116 11 O -2.6555110 -0.2055398 0.0258262 -0.2650674 -2.2030451 0.0303006 -0.0001998 0.0444844 -2.3280116 12 O -2.6555110 0.2055398 -0.0258262 0.2650674 -2.2030451 0.0303006 0.0001998 0.0444844 -2.3280116 13 O -2.6555110 -0.2055398 -0.0258262 -0.2650674 -2.2030451 -0.0303006 0.0001998 -0.0444844 -2.3280116 14 O -2.2293411 0.0000000 -0.5643569 0.0000000 -2.3695946 0.0000000 -0.5217245 0.0000000 -2.7223029 15 O -2.2293411 0.0000000 -0.5643569 0.0000000 -2.3695946 0.0000000 -0.5217245 0.0000000 -2.7223029 16 O -2.6555110 -0.2055398 -0.0258262 -0.2650674 -2.2030451 -0.0303006 0.0001998 -0.0444844 -2.3280116 17 O -2.6555110 0.2055398 -0.0258262 0.2650674 -2.2030451 0.0303006 0.0001998 0.0444844 -2.3280116 18 O -2.6555110 -0.2055398 0.0258262 -0.2650674 -2.2030451 0.0303006 -0.0001998 0.0444844 -2.3280116 19 O -2.6555110 0.2055398 0.0258262 0.2650674 -2.2030451 -0.0303006 -0.0001998 -0.0444844 -2.3280116 20 O -2.2293411 0.0000000 0.5643569 0.0000000 -2.3695946 0.0000000 0.5217245 0.0000000 -2.7223029 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xyy) 0.00000006 (xyy) 0.00000006 (xyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 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 1.253 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 8.742 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 11.909 ( 0.000 0.000 0.000) 0.000 12.124 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.424 ( 0.000 0.000 0.000) 0.000 12.552 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.850 ( 0.000 0.000 0.000) 0.000 14.524 ( 0.000 0.000 0.000) 0.000 14.876 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 0.000) 0.000 15.695 ( 0.000 0.000 0.000) 0.000 16.162 ( 0.000 0.000 0.000) 0.000 16.264 ( 0.000 0.000 0.000) 0.000 16.811 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 17.999 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.591 ( 27.339 0.000 0.000) 27.339 0.658 ( 30.254 0.000 0.000) 30.254 1.288 ( 59.285 0.000 0.000) 59.285 1.334 ( 6.976 0.000 0.000) 6.976 2.413 ( -13.939 0.000 0.000) 13.939 2.841 ( -6.857 0.000 0.000) 6.857 2.845 ( -8.279 0.000 0.000) 8.279 3.071 ( -3.329 0.000 0.000) 3.329 3.140 ( -0.149 0.000 0.000) 0.149 3.180 ( 19.184 0.000 0.000) 19.184 3.305 ( 4.567 0.000 0.000) 4.567 3.525 ( -3.724 0.000 0.000) 3.724 3.643 ( -2.745 0.000 0.000) 2.745 3.707 ( -3.241 0.000 0.000) 3.241 4.178 ( 11.322 0.000 0.000) 11.322 4.382 ( 8.917 0.000 0.000) 8.917 4.547 ( -2.413 0.000 0.000) 2.413 4.560 ( -16.061 0.000 0.000) 16.061 4.818 ( -2.525 0.000 0.000) 2.525 5.150 ( -8.325 0.000 0.000) 8.325 5.627 ( 7.339 0.000 0.000) 7.339 5.656 ( 4.641 0.000 0.000) 4.641 6.052 ( 13.473 0.000 0.000) 13.473 6.266 ( 1.172 0.000 0.000) 1.172 6.284 ( -13.644 0.000 0.000) 13.644 6.712 ( -10.445 0.000 0.000) 10.445 6.723 ( -2.336 0.000 0.000) 2.336 7.083 ( -4.421 0.000 0.000) 4.421 7.437 ( 6.553 0.000 0.000) 6.553 7.569 ( -13.432 0.000 0.000) 13.432 8.296 ( 6.461 0.000 0.000) 6.461 8.456 ( 2.858 0.000 0.000) 2.858 8.768 ( 2.092 0.000 0.000) 2.092 9.489 ( -5.962 0.000 0.000) 5.962 9.929 ( -2.466 0.000 0.000) 2.466 10.169 ( 2.986 0.000 0.000) 2.986 10.613 ( -11.068 0.000 0.000) 11.068 11.012 ( 2.921 0.000 0.000) 2.921 11.134 ( -5.485 0.000 0.000) 5.485 11.742 ( 7.785 0.000 0.000) 7.785 11.945 ( 3.358 0.000 0.000) 3.358 12.231 ( 8.614 0.000 0.000) 8.614 12.406 ( -1.170 0.000 0.000) 1.170 12.489 ( -4.610 0.000 0.000) 4.610 12.620 ( 18.263 0.000 0.000) 18.263 12.993 ( -4.468 0.000 0.000) 4.468 13.640 ( 7.019 0.000 0.000) 7.019 13.824 ( 12.489 0.000 0.000) 12.489 13.909 ( 4.972 0.000 0.000) 4.972 14.518 ( -1.044 0.000 0.000) 1.044 14.915 ( -5.317 0.000 0.000) 5.317 15.037 ( -20.481 0.000 0.000) 20.481 15.235 ( 2.415 0.000 0.000) 2.415 15.317 ( 5.854 0.000 0.000) 5.854 16.089 ( -6.954 0.000 0.000) 6.954 16.501 ( 17.593 0.000 0.000) 17.593 16.721 ( -8.407 0.000 0.000) 8.407 17.869 ( -1.989 0.000 0.000) 1.989 18.023 ( 2.208 0.000 0.000) 2.208 18.581 ( -2.129 0.000 0.000) 2.129 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 25.265 0.000 0.000) 25.265 1.253 ( 24.069 0.000 0.000) 24.069 1.495 ( 6.520 0.000 0.000) 6.520 2.129 ( -10.568 0.000 0.000) 10.568 2.451 ( 45.606 0.000 0.000) 45.606 2.653 ( -10.189 0.000 0.000) 10.189 2.663 ( -6.883 0.000 0.000) 6.883 3.024 ( 2.732 0.000 0.000) 2.732 3.136 ( -0.252 0.000 0.000) 0.252 3.348 ( -5.284 0.000 0.000) 5.284 3.386 ( -9.664 0.000 0.000) 9.664 3.429 ( 6.599 0.000 0.000) 6.599 3.625 ( -3.470 0.000 0.000) 3.470 3.851 ( 23.515 0.000 0.000) 23.515 4.103 ( -21.529 0.000 0.000) 21.529 4.454 ( -5.819 0.000 0.000) 5.819 4.480 ( 15.446 0.000 0.000) 15.446 4.722 ( 18.506 0.000 0.000) 18.506 4.774 ( -0.336 0.000 0.000) 0.336 4.987 ( -6.782 0.000 0.000) 6.782 5.733 ( 1.266 0.000 0.000) 1.266 5.804 ( 8.747 0.000 0.000) 8.747 5.946 ( -17.221 0.000 0.000) 17.221 6.185 ( -4.461 0.000 0.000) 4.461 6.299 ( 1.733 0.000 0.000) 1.733 6.501 ( -9.037 0.000 0.000) 9.037 6.789 ( 10.918 0.000 0.000) 10.918 6.902 ( -11.777 0.000 0.000) 11.777 7.192 ( -20.784 0.000 0.000) 20.784 7.546 ( 2.659 0.000 0.000) 2.659 8.449 ( 6.989 0.000 0.000) 6.989 8.522 ( 3.012 0.000 0.000) 3.012 8.818 ( 2.607 0.000 0.000) 2.607 9.334 ( -7.908 0.000 0.000) 7.908 9.855 ( -4.194 0.000 0.000) 4.194 10.262 ( 5.765 0.000 0.000) 5.765 10.316 ( -15.599 0.000 0.000) 15.599 10.991 ( -7.821 0.000 0.000) 7.821 11.116 ( 6.867 0.000 0.000) 6.867 11.859 ( 0.016 0.000 0.000) 0.016 12.045 ( 5.806 0.000 0.000) 5.806 12.393 ( 3.681 0.000 0.000) 3.681 12.400 ( 1.963 0.000 0.000) 1.963 12.473 ( 6.636 0.000 0.000) 6.636 12.862 ( -7.517 0.000 0.000) 7.517 13.133 ( 28.192 0.000 0.000) 28.192 13.913 ( 18.158 0.000 0.000) 18.158 14.028 ( 5.533 0.000 0.000) 5.533 14.168 ( 19.789 0.000 0.000) 19.789 14.358 ( -19.192 0.000 0.000) 19.192 14.692 ( -5.391 0.000 0.000) 5.391 14.811 ( -4.452 0.000 0.000) 4.452 15.300 ( 3.532 0.000 0.000) 3.532 15.419 ( 3.213 0.000 0.000) 3.213 15.864 ( -14.300 0.000 0.000) 14.300 16.455 ( -16.692 0.000 0.000) 16.692 16.889 ( 17.789 0.000 0.000) 17.789 17.804 ( -4.277 0.000 0.000) 4.277 18.089 ( 3.949 0.000 0.000) 3.949 18.516 ( -3.915 0.000 0.000) 3.915 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.520 ( 0.209 0.000 0.000) 0.209 1.549 ( -1.546 0.000 0.000) 1.546 1.655 ( 22.040 0.000 0.000) 22.040 2.163 ( 15.658 0.000 0.000) 15.658 2.409 ( -13.181 0.000 0.000) 13.181 2.619 ( 2.450 0.000 0.000) 2.450 2.855 ( 5.049 0.000 0.000) 5.049 3.120 ( -14.322 0.000 0.000) 14.322 3.121 ( -1.770 0.000 0.000) 1.770 3.165 ( -10.332 0.000 0.000) 10.332 3.342 ( 6.015 0.000 0.000) 6.015 3.504 ( -5.259 0.000 0.000) 5.259 3.740 ( 18.070 0.000 0.000) 18.070 3.751 ( -4.441 0.000 0.000) 4.441 4.392 ( 25.032 0.000 0.000) 25.032 4.400 ( 7.099 0.000 0.000) 7.099 4.682 ( 3.124 0.000 0.000) 3.124 4.861 ( -4.989 0.000 0.000) 4.989 4.918 ( 11.717 0.000 0.000) 11.717 5.112 ( 13.261 0.000 0.000) 13.261 5.595 ( -13.583 0.000 0.000) 13.583 5.657 ( -5.992 0.000 0.000) 5.992 5.940 ( -15.863 0.000 0.000) 15.863 5.978 ( 5.056 0.000 0.000) 5.056 6.304 ( -9.442 0.000 0.000) 9.442 6.327 ( 0.323 0.000 0.000) 0.323 6.658 ( -8.811 0.000 0.000) 8.811 6.768 ( -16.605 0.000 0.000) 16.605 7.091 ( 14.910 0.000 0.000) 14.910 7.530 ( -4.265 0.000 0.000) 4.265 8.561 ( 3.193 0.000 0.000) 3.193 8.575 ( 1.768 0.000 0.000) 1.768 8.898 ( 5.327 0.000 0.000) 5.327 9.175 ( -6.922 0.000 0.000) 6.922 9.777 ( -2.239 0.000 0.000) 2.239 10.002 ( -12.957 0.000 0.000) 12.957 10.411 ( 8.168 0.000 0.000) 8.168 10.806 ( -9.394 0.000 0.000) 9.394 11.295 ( 9.713 0.000 0.000) 9.713 11.735 ( -9.460 0.000 0.000) 9.460 12.181 ( 6.773 0.000 0.000) 6.773 12.415 ( -2.411 0.000 0.000) 2.411 12.442 ( 3.380 0.000 0.000) 3.380 12.693 ( -7.860 0.000 0.000) 7.860 12.785 ( 20.508 0.000 0.000) 20.508 13.718 ( 21.578 0.000 0.000) 21.578 13.843 ( -23.311 0.000 0.000) 23.311 14.117 ( 2.161 0.000 0.000) 2.161 14.297 ( 15.564 0.000 0.000) 15.564 14.698 ( 29.881 0.000 0.000) 29.881 14.711 ( -5.438 0.000 0.000) 5.438 14.732 ( 7.475 0.000 0.000) 7.475 15.379 ( 3.941 0.000 0.000) 3.941 15.443 ( -1.035 0.000 0.000) 1.035 15.487 ( -20.736 0.000 0.000) 20.736 16.016 ( -24.364 0.000 0.000) 24.364 17.233 ( 14.426 0.000 0.000) 14.426 17.684 ( -7.095 0.000 0.000) 7.095 18.187 ( 5.159 0.000 0.000) 5.159 18.419 ( -5.139 0.000 0.000) 5.139 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.990 0.000 0.000) 0.990 1.500 ( 0.990 0.000 0.000) 0.990 2.080 ( -17.850 0.000 0.000) 17.850 2.080 ( 17.850 0.000 0.000) 17.850 2.552 ( -15.021 0.000 0.000) 15.021 2.552 ( 15.021 0.000 0.000) 15.021 2.966 ( -5.154 0.000 0.000) 5.154 2.966 ( 5.154 0.000 0.000) 5.154 3.008 ( -8.654 0.000 0.000) 8.654 3.008 ( 8.654 0.000 0.000) 8.654 3.358 ( -2.041 0.000 0.000) 2.041 3.358 ( 2.041 0.000 0.000) 2.041 3.837 ( -5.465 0.000 0.000) 5.465 3.837 ( 5.465 0.000 0.000) 5.465 4.735 ( -1.045 0.000 0.000) 1.045 4.735 ( 1.045 0.000 0.000) 1.045 4.893 ( -14.080 0.000 0.000) 14.080 4.893 ( 14.080 0.000 0.000) 14.080 4.899 ( -28.604 0.000 0.000) 28.604 4.899 ( 28.604 0.000 0.000) 28.604 5.596 ( -13.702 0.000 0.000) 13.702 5.596 ( 13.702 0.000 0.000) 13.702 5.814 ( -16.758 0.000 0.000) 16.758 5.814 ( 16.758 0.000 0.000) 16.758 6.277 ( -4.701 0.000 0.000) 4.701 6.277 ( 4.701 0.000 0.000) 4.701 6.576 ( -1.413 0.000 0.000) 1.413 6.576 ( 1.413 0.000 0.000) 1.413 7.369 ( -10.689 0.000 0.000) 10.689 7.369 ( 10.689 0.000 0.000) 10.689 8.592 ( -0.143 0.000 0.000) 0.143 8.592 ( 0.143 0.000 0.000) 0.143 9.032 ( -6.756 0.000 0.000) 6.756 9.032 ( 6.756 0.000 0.000) 6.756 9.802 ( -5.275 0.000 0.000) 5.275 9.802 ( 5.275 0.000 0.000) 5.275 10.602 ( -9.595 0.000 0.000) 9.595 10.602 ( 9.595 0.000 0.000) 9.595 11.515 ( -10.714 0.000 0.000) 10.714 11.515 ( 10.714 0.000 0.000) 10.714 12.320 ( -5.948 0.000 0.000) 5.948 12.320 ( 5.948 0.000 0.000) 5.948 12.543 ( -6.059 0.000 0.000) 6.059 12.543 ( 6.059 0.000 0.000) 6.059 13.279 ( -25.235 0.000 0.000) 25.235 13.279 ( 25.235 0.000 0.000) 25.235 14.077 ( -7.619 0.000 0.000) 7.619 14.077 ( 7.619 0.000 0.000) 7.619 14.559 ( -9.413 0.000 0.000) 9.413 14.559 ( 9.413 0.000 0.000) 9.413 15.031 ( -20.123 0.000 0.000) 20.123 15.031 ( 20.123 0.000 0.000) 20.123 15.307 ( -19.685 0.000 0.000) 19.685 15.307 ( 19.685 0.000 0.000) 19.685 15.511 ( -14.284 0.000 0.000) 14.284 15.511 ( 14.284 0.000 0.000) 14.284 17.498 ( -10.556 0.000 0.000) 10.556 17.498 ( 10.556 0.000 0.000) 10.556 18.303 ( -5.603 0.000 0.000) 5.603 18.303 ( 5.603 0.000 0.000) 5.603 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 25.051 0.000) 25.051 0.632 ( 0.000 30.439 0.000) 30.439 0.972 ( 0.000 44.712 0.000) 44.712 1.469 ( 0.000 16.764 0.000) 16.764 2.294 ( 0.000 -16.119 0.000) 16.119 2.838 ( 0.000 -19.037 0.000) 19.037 2.972 ( 0.000 2.945 0.000) 2.945 3.015 ( 0.000 -8.901 0.000) 8.901 3.191 ( 0.000 18.907 0.000) 18.907 3.349 ( 0.000 8.749 0.000) 8.749 3.453 ( 0.000 -19.620 0.000) 19.620 3.616 ( 0.000 13.917 0.000) 13.917 3.661 ( 0.000 7.162 0.000) 7.162 4.092 ( 0.000 3.462 0.000) 3.462 4.205 ( 0.000 -6.520 0.000) 6.520 4.494 ( 0.000 -4.359 0.000) 4.359 4.574 ( 0.000 18.630 0.000) 18.630 4.645 ( 0.000 -10.741 0.000) 10.741 4.904 ( 0.000 5.291 0.000) 5.291 5.249 ( 0.000 -5.645 0.000) 5.645 5.406 ( 0.000 -10.707 0.000) 10.707 5.841 ( 0.000 -0.897 0.000) 0.897 6.071 ( 0.000 -15.171 0.000) 15.171 6.448 ( 0.000 -7.244 0.000) 7.244 6.568 ( 0.000 10.390 0.000) 10.390 6.754 ( 0.000 -5.444 0.000) 5.444 6.932 ( 0.000 -2.779 0.000) 2.779 7.293 ( 0.000 7.928 0.000) 7.928 7.421 ( 0.000 3.007 0.000) 3.007 7.726 ( 0.000 2.888 0.000) 2.888 7.758 ( 0.000 -3.094 0.000) 3.094 8.383 ( 0.000 -3.615 0.000) 3.615 8.669 ( 0.000 -0.088 0.000) 0.088 8.733 ( 0.000 -0.867 0.000) 0.867 9.571 ( 0.000 1.321 0.000) 1.321 9.906 ( 0.000 -4.423 0.000) 4.423 10.300 ( 0.000 15.143 0.000) 15.143 11.278 ( 0.000 7.074 0.000) 7.074 11.803 ( 0.000 15.013 0.000) 15.013 11.883 ( 0.000 -2.472 0.000) 2.472 12.071 ( 0.000 -7.053 0.000) 7.053 12.315 ( 0.000 -4.014 0.000) 4.014 12.321 ( 0.000 -7.698 0.000) 7.698 12.555 ( 0.000 7.606 0.000) 7.606 12.607 ( 0.000 4.917 0.000) 4.917 13.019 ( 0.000 -2.194 0.000) 2.194 13.374 ( 0.000 -12.392 0.000) 12.392 13.710 ( 0.000 -13.384 0.000) 13.384 14.058 ( 0.000 14.854 0.000) 14.854 14.844 ( 0.000 -3.148 0.000) 3.148 14.996 ( 0.000 0.147 0.000) 0.147 15.199 ( 0.000 -2.641 0.000) 2.641 15.327 ( 0.000 2.863 0.000) 2.863 15.671 ( 0.000 -2.334 0.000) 2.334 16.171 ( 0.000 1.128 0.000) 1.128 16.292 ( 0.000 2.574 0.000) 2.574 16.602 ( 0.000 -2.090 0.000) 2.090 16.728 ( 0.000 -7.388 0.000) 7.388 17.940 ( 0.000 4.282 0.000) 4.282 18.029 ( 0.000 2.547 0.000) 2.547 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.699 ( 14.098 11.937 0.000) 18.473 0.781 ( 20.501 14.459 0.000) 25.087 1.536 ( 6.351 14.931 0.000) 16.226 1.651 ( 44.268 27.034 0.000) 51.871 2.153 ( -9.180 -14.053 0.000) 16.786 2.774 ( -6.104 -11.856 0.000) 13.335 2.890 ( -6.952 2.863 0.000) 7.519 3.026 ( 0.472 -7.167 0.000) 7.183 3.212 ( -0.683 11.788 0.000) 11.808 3.344 ( -0.010 5.226 0.000) 5.226 3.420 ( -4.945 -12.317 0.000) 13.272 3.630 ( -2.840 7.023 0.000) 7.575 3.635 ( 9.254 13.112 0.000) 16.049 4.082 ( -24.442 29.729 0.000) 38.487 4.180 ( 6.354 -1.610 0.000) 6.554 4.346 ( 12.138 -4.213 0.000) 12.848 4.470 ( -12.315 -5.291 0.000) 13.404 4.473 ( -2.562 -1.367 0.000) 2.904 4.884 ( -0.758 6.489 0.000) 6.533 5.338 ( 1.472 2.091 0.000) 2.558 5.525 ( 8.171 -9.696 0.000) 12.680 5.749 ( -13.097 8.134 0.000) 15.417 6.078 ( 0.206 -14.280 0.000) 14.281 6.085 ( 4.340 5.214 0.000) 6.783 6.382 ( -7.998 -13.539 0.000) 15.725 6.424 ( -11.622 10.502 0.000) 15.664 6.999 ( -7.521 0.629 0.000) 7.547 7.130 ( -1.124 12.518 0.000) 12.568 7.389 ( -7.228 -5.617 0.000) 9.154 7.679 ( -1.111 10.068 0.000) 10.130 8.195 ( 9.731 -9.699 0.000) 13.739 8.418 ( 2.775 -3.666 0.000) 4.598 8.768 ( 3.305 0.141 0.000) 3.308 9.506 ( -5.702 1.628 0.000) 5.930 9.507 ( 35.305 -40.370 0.000) 53.630 9.879 ( -2.513 -4.543 0.000) 5.191 10.339 ( 3.593 14.706 0.000) 15.139 11.222 ( -4.748 8.099 0.000) 9.388 11.878 ( 5.511 11.895 0.000) 13.109 11.894 ( -25.117 23.265 0.000) 34.237 11.917 ( 3.380 -1.922 0.000) 3.888 12.192 ( 4.399 -4.200 0.000) 6.082 12.327 ( 0.798 -4.673 0.000) 4.741 12.533 ( -5.514 3.821 0.000) 6.708 12.626 ( 17.211 2.135 0.000) 17.343 12.977 ( -3.667 -1.389 0.000) 3.921 13.491 ( 10.041 -11.919 0.000) 15.585 13.782 ( 5.942 -12.204 0.000) 13.574 14.065 ( 3.472 17.706 0.000) 18.043 14.609 ( -8.808 5.690 0.000) 10.486 14.928 ( -4.443 1.353 0.000) 4.644 15.060 ( -20.831 2.046 0.000) 20.931 15.237 ( -2.846 0.012 0.000) 2.846 15.276 ( 5.103 -3.716 0.000) 6.313 16.095 ( -7.202 0.905 0.000) 7.259 16.541 ( 18.419 3.867 0.000) 18.821 16.640 ( -8.251 -7.244 0.000) 10.979 17.836 ( 38.659 -43.463 0.000) 58.168 17.921 ( -1.842 4.428 0.000) 4.796 18.051 ( 1.905 2.283 0.000) 2.974 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.005 ( 13.233 -4.892 0.000) 14.108 1.291 ( 23.743 3.869 0.000) 24.056 1.729 ( 11.197 13.007 0.000) 17.163 1.867 ( -10.274 -16.311 0.000) 19.277 2.605 ( 4.282 -3.145 0.000) 5.313 2.678 ( 25.923 12.511 0.000) 28.784 2.720 ( -7.561 3.648 0.000) 8.395 3.037 ( 0.559 -7.177 0.000) 7.199 3.172 ( 3.239 13.841 0.000) 14.215 3.307 ( -5.625 -0.691 0.000) 5.668 3.316 ( -4.885 -18.336 0.000) 18.976 3.558 ( -3.448 5.652 0.000) 6.621 3.690 ( -13.961 20.035 0.000) 24.420 4.006 ( 22.286 11.330 0.000) 25.000 4.042 ( -14.951 -4.193 0.000) 15.528 4.398 ( -3.443 0.784 0.000) 3.532 4.497 ( 13.239 -0.994 0.000) 13.276 4.700 ( 18.781 0.835 0.000) 18.800 4.900 ( 3.027 10.739 0.000) 11.158 5.261 ( -6.400 17.000 0.000) 18.165 5.658 ( 3.170 -7.052 0.000) 7.732 5.714 ( 5.784 -7.082 0.000) 9.144 5.991 ( -12.297 0.016 0.000) 12.297 6.178 ( -8.349 -18.282 0.000) 20.099 6.206 ( -0.792 -0.096 0.000) 0.797 6.221 ( -2.889 -2.958 0.000) 4.135 6.842 ( -9.077 -3.596 0.000) 9.763 7.072 ( -20.197 -9.366 0.000) 22.263 7.112 ( 3.092 18.558 0.000) 18.814 7.699 ( 0.755 11.703 0.000) 11.728 8.367 ( 7.033 -7.851 0.000) 10.540 8.479 ( 2.695 -4.051 0.000) 4.865 8.845 ( 3.734 2.710 0.000) 4.614 9.357 ( -7.671 2.204 0.000) 7.981 9.805 ( -4.138 -4.640 0.000) 6.218 9.869 ( 4.017 -27.121 0.000) 27.417 10.433 ( 4.925 14.173 0.000) 15.004 11.093 ( -7.202 9.554 0.000) 11.965 11.523 ( -8.606 25.207 0.000) 26.635 11.939 ( -1.433 5.941 0.000) 6.112 12.017 ( 4.946 -1.385 0.000) 5.136 12.265 ( 1.628 -12.565 0.000) 12.670 12.385 ( 3.124 -0.961 0.000) 3.268 12.476 ( 2.225 -0.070 0.000) 2.226 12.889 ( -3.330 2.933 0.000) 4.438 13.139 ( 28.715 1.007 0.000) 28.732 13.844 ( 23.503 -8.298 0.000) 24.924 13.924 ( 6.694 -10.123 0.000) 12.136 14.136 ( -1.856 2.100 0.000) 2.802 14.515 ( -5.584 11.450 0.000) 12.739 14.665 ( -7.302 -2.747 0.000) 7.802 14.842 ( -3.623 3.072 0.000) 4.750 15.267 ( 3.193 -3.296 0.000) 4.589 15.365 ( 2.762 -4.908 0.000) 5.632 15.862 ( -14.716 0.269 0.000) 14.718 16.377 ( -16.570 -7.007 0.000) 17.991 16.944 ( 18.400 5.389 0.000) 19.173 17.861 ( -3.920 5.028 0.000) 6.375 18.105 ( 3.120 1.189 0.000) 3.339 18.243 ( 7.203 -22.499 0.000) 23.624 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.224 ( 7.266 -13.698 0.000) 15.506 1.496 ( -6.685 -3.347 0.000) 7.476 1.920 ( 17.374 -12.860 0.000) 21.615 1.974 ( 11.056 12.628 0.000) 16.784 2.514 ( -3.631 2.739 0.000) 4.548 2.628 ( -1.059 -0.962 0.000) 1.431 2.895 ( -0.159 3.985 0.000) 3.988 3.017 ( -6.233 -7.544 0.000) 9.786 3.122 ( -6.014 0.085 0.000) 6.015 3.173 ( -7.771 -13.629 0.000) 15.689 3.382 ( -7.433 6.513 0.000) 9.882 3.417 ( -10.610 -4.166 0.000) 11.398 3.743 ( 22.611 13.534 0.000) 26.352 3.860 ( -0.793 9.425 0.000) 9.458 4.410 ( 13.791 6.171 0.000) 15.109 4.530 ( 22.370 8.509 0.000) 23.934 4.770 ( 10.288 4.779 0.000) 11.343 5.047 ( 9.744 11.946 0.000) 15.416 5.074 ( 13.782 -2.113 0.000) 13.943 5.117 ( -6.954 18.056 0.000) 19.348 5.599 ( -16.148 -0.406 0.000) 16.153 5.683 ( -4.795 2.928 0.000) 5.618 5.782 ( -6.684 -11.063 0.000) 12.925 6.008 ( -1.902 -2.571 0.000) 3.198 6.127 ( -5.845 -12.179 0.000) 13.509 6.234 ( 1.531 -8.451 0.000) 8.588 6.603 ( -11.512 -4.776 0.000) 12.463 6.635 ( -18.196 -11.306 0.000) 21.423 7.286 ( 11.062 15.369 0.000) 18.936 7.663 ( -4.440 11.024 0.000) 11.884 8.485 ( 3.795 -7.318 0.000) 8.243 8.524 ( 1.314 -4.897 0.000) 5.070 8.936 ( 5.157 3.756 0.000) 6.380 9.201 ( -6.828 2.607 0.000) 7.309 9.726 ( -2.579 -4.834 0.000) 5.479 9.827 ( -5.419 -14.056 0.000) 15.064 10.558 ( 7.049 13.575 0.000) 15.296 10.922 ( -8.810 10.848 0.000) 13.975 11.486 ( 3.572 15.748 0.000) 16.148 11.809 ( -8.839 6.799 0.000) 11.151 12.133 ( 5.795 -5.243 0.000) 7.815 12.290 ( 0.391 -12.658 0.000) 12.664 12.413 ( 0.325 -2.173 0.000) 2.197 12.527 ( -1.282 -9.117 0.000) 9.207 12.958 ( 12.279 10.376 0.000) 16.076 13.705 ( 11.770 -1.300 0.000) 11.842 13.868 ( -8.956 3.843 0.000) 9.746 14.042 ( 4.030 -7.457 0.000) 8.477 14.372 ( 15.909 4.478 0.000) 16.527 14.522 ( 15.937 -11.120 0.000) 19.433 14.758 ( -4.959 4.448 0.000) 6.662 14.803 ( 15.262 2.894 0.000) 15.534 15.342 ( 3.771 -3.605 0.000) 5.217 15.370 ( -4.918 -5.749 0.000) 7.566 15.489 ( -17.558 -0.310 0.000) 17.561 15.941 ( -24.126 -6.759 0.000) 25.055 17.298 ( 14.706 6.182 0.000) 15.952 17.748 ( -6.812 5.780 0.000) 8.934 18.179 ( 3.666 -1.005 0.000) 3.801 18.297 ( -0.580 -10.925 0.000) 10.940 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -5.715 -10.686 0.000) 12.118 1.346 ( 5.715 -10.686 0.000) 12.118 2.146 ( -1.886 1.800 0.000) 2.607 2.146 ( 1.886 1.800 0.000) 2.607 2.539 ( -8.145 0.306 0.000) 8.151 2.539 ( 8.145 0.306 0.000) 8.151 2.908 ( -0.697 -6.498 0.000) 6.536 2.908 ( 0.697 -6.498 0.000) 6.536 3.069 ( -1.646 0.677 0.000) 1.780 3.069 ( 1.646 0.677 0.000) 1.780 3.271 ( -0.468 -3.985 0.000) 4.012 3.271 ( 0.468 -3.985 0.000) 4.012 3.901 ( -1.789 11.294 0.000) 11.435 3.901 ( 1.789 11.294 0.000) 11.435 4.903 ( -8.551 9.548 0.000) 12.817 4.903 ( 8.551 9.548 0.000) 12.817 4.974 ( -16.294 7.432 0.000) 17.909 4.974 ( 16.294 7.432 0.000) 17.909 5.025 ( -13.218 12.895 0.000) 18.466 5.025 ( 13.218 12.895 0.000) 18.466 5.487 ( -15.193 -8.043 0.000) 17.190 5.487 ( 15.193 -8.043 0.000) 17.190 5.825 ( -13.623 -0.224 0.000) 13.624 5.825 ( 13.623 -0.224 0.000) 13.624 6.189 ( -7.003 -8.623 0.000) 11.109 6.189 ( 7.003 -8.623 0.000) 11.109 6.442 ( -1.690 -10.900 0.000) 11.031 6.442 ( 1.690 -10.900 0.000) 11.031 7.513 ( -9.395 12.070 0.000) 15.296 7.513 ( 9.395 12.070 0.000) 15.296 8.531 ( -0.748 -6.012 0.000) 6.058 8.531 ( 0.748 -6.012 0.000) 6.058 9.062 ( -6.402 3.081 0.000) 7.105 9.062 ( 6.402 3.081 0.000) 7.105 9.725 ( -2.856 -6.984 0.000) 7.545 9.725 ( 2.856 -6.984 0.000) 7.545 10.730 ( -8.909 12.117 0.000) 15.040 10.730 ( 8.909 12.117 0.000) 15.040 11.620 ( -8.239 9.548 0.000) 12.612 11.620 ( 8.239 9.548 0.000) 12.612 12.247 ( -4.360 -8.473 0.000) 9.528 12.247 ( 4.360 -8.473 0.000) 9.528 12.455 ( -3.708 -6.587 0.000) 7.558 12.455 ( 3.708 -6.587 0.000) 7.558 13.338 ( -21.276 5.295 0.000) 21.925 13.338 ( 21.276 5.295 0.000) 21.925 14.062 ( -3.804 -2.073 0.000) 4.332 14.062 ( 3.804 -2.073 0.000) 4.332 14.602 ( -10.140 3.780 0.000) 10.822 14.602 ( 10.140 3.780 0.000) 10.822 14.976 ( -22.055 -4.190 0.000) 22.449 14.976 ( 22.055 -4.190 0.000) 22.449 15.264 ( -19.759 -4.012 0.000) 20.163 15.264 ( 19.759 -4.012 0.000) 20.163 15.460 ( -12.165 -4.715 0.000) 13.047 15.460 ( 12.165 -4.715 0.000) 13.047 17.566 ( -10.523 6.254 0.000) 12.241 17.566 ( 10.523 6.254 0.000) 12.241 18.253 ( -3.104 -4.722 0.000) 5.651 18.253 ( 3.104 -4.722 0.000) 5.651 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 24.070 0.000) 24.070 1.242 ( 0.000 28.756 0.000) 28.756 1.699 ( 0.000 0.489 0.000) 0.489 1.738 ( 0.000 25.776 0.000) 25.776 2.088 ( 0.000 -3.714 0.000) 3.714 2.412 ( 0.000 -21.616 0.000) 21.616 2.937 ( 0.000 4.100 0.000) 4.100 3.059 ( 0.000 4.657 0.000) 4.657 3.137 ( 0.000 -7.123 0.000) 7.123 3.419 ( 0.000 1.093 0.000) 1.093 3.583 ( 0.000 13.431 0.000) 13.431 3.754 ( 0.000 0.968 0.000) 0.968 3.889 ( 0.000 12.451 0.000) 12.451 4.012 ( 0.000 -11.505 0.000) 11.505 4.133 ( 0.000 -4.176 0.000) 4.176 4.347 ( 0.000 -9.746 0.000) 9.746 4.476 ( 0.000 1.034 0.000) 1.034 4.924 ( 0.000 14.258 0.000) 14.258 5.081 ( 0.000 11.880 0.000) 11.880 5.101 ( 0.000 -18.026 0.000) 18.026 5.161 ( 0.000 -1.720 0.000) 1.720 5.723 ( 0.000 -17.579 0.000) 17.579 5.830 ( 0.000 0.702 0.000) 0.702 6.201 ( 0.000 -14.848 0.000) 14.848 6.722 ( 0.000 1.436 0.000) 1.436 6.828 ( 0.000 13.969 0.000) 13.969 6.860 ( 0.000 -3.990 0.000) 3.990 7.347 ( 0.000 -8.959 0.000) 8.959 7.448 ( 0.000 6.896 0.000) 6.896 7.677 ( 0.000 -4.530 0.000) 4.530 7.889 ( 0.000 10.859 0.000) 10.859 8.275 ( 0.000 -6.818 0.000) 6.818 8.671 ( 0.000 0.373 0.000) 0.373 8.710 ( 0.000 -1.274 0.000) 1.274 9.614 ( 0.000 2.891 0.000) 2.891 9.797 ( 0.000 -5.609 0.000) 5.609 10.714 ( 0.000 24.051 0.000) 24.051 11.462 ( 0.000 10.077 0.000) 10.077 11.756 ( 0.000 -22.192 0.000) 22.192 11.803 ( 0.000 -5.305 0.000) 5.305 12.222 ( 0.000 24.641 0.000) 24.641 12.228 ( 0.000 -1.569 0.000) 1.569 12.251 ( 0.000 -2.259 0.000) 2.259 12.726 ( 0.000 9.029 0.000) 9.029 12.731 ( 0.000 6.677 0.000) 6.677 12.951 ( 0.000 -4.411 0.000) 4.411 13.136 ( 0.000 -10.878 0.000) 10.878 13.323 ( 0.000 -23.405 0.000) 23.405 14.349 ( 0.000 12.984 0.000) 12.984 14.747 ( 0.000 -6.359 0.000) 6.359 15.010 ( 0.000 1.393 0.000) 1.393 15.131 ( 0.000 -3.757 0.000) 3.757 15.407 ( 0.000 4.647 0.000) 4.647 15.603 ( 0.000 -4.120 0.000) 4.120 16.224 ( 0.000 4.387 0.000) 4.387 16.363 ( 0.000 4.189 0.000) 4.189 16.542 ( 0.000 -3.733 0.000) 3.733 16.543 ( 0.000 -9.782 0.000) 9.782 18.034 ( 0.000 4.113 0.000) 4.113 18.081 ( 0.000 1.896 0.000) 1.896 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.052 ( 2.247 20.695 0.000) 20.817 1.183 ( 2.739 22.114 0.000) 22.283 1.719 ( 2.238 -1.480 0.000) 2.683 1.853 ( -8.915 -7.437 0.000) 11.610 2.227 ( 25.586 13.341 0.000) 28.855 2.491 ( 3.254 -12.607 0.000) 13.021 2.881 ( -4.576 2.192 0.000) 5.074 3.036 ( -2.829 3.252 0.000) 4.310 3.116 ( 0.175 -0.790 0.000) 0.809 3.519 ( 4.783 5.292 0.000) 7.133 3.519 ( -4.856 11.216 0.000) 12.222 3.737 ( -1.673 3.523 0.000) 3.901 3.837 ( 1.239 7.508 0.000) 7.609 4.058 ( -1.130 -9.615 0.000) 9.681 4.144 ( 3.737 -12.799 0.000) 13.333 4.218 ( -11.920 -8.357 0.000) 14.557 4.542 ( 9.403 11.097 0.000) 14.545 4.778 ( -7.850 22.088 0.000) 23.441 5.068 ( 2.227 8.494 0.000) 8.781 5.261 ( 9.705 -12.760 0.000) 16.031 5.285 ( 7.100 -3.389 0.000) 7.867 5.746 ( 2.083 -16.915 0.000) 17.043 5.760 ( -6.841 -3.752 0.000) 7.802 6.013 ( -13.819 -12.684 0.000) 18.758 6.426 ( -7.576 13.827 0.000) 15.767 6.682 ( -12.632 13.793 0.000) 18.704 6.895 ( -5.418 -7.971 0.000) 9.638 7.216 ( -12.268 -10.727 0.000) 16.297 7.423 ( 1.319 13.378 0.000) 13.443 7.915 ( 2.202 11.812 0.000) 12.016 7.942 ( 12.146 -13.334 0.000) 18.037 8.309 ( 2.605 -6.863 0.000) 7.341 8.785 ( 6.836 1.750 0.000) 7.057 9.014 ( 23.309 -12.723 0.000) 26.555 9.558 ( -4.940 3.452 0.000) 6.026 9.765 ( -2.941 -6.029 0.000) 6.708 10.749 ( 3.103 23.964 0.000) 24.164 11.433 ( -2.694 11.499 0.000) 11.811 11.782 ( 1.964 -21.282 0.000) 21.372 11.822 ( 1.789 -6.097 0.000) 6.354 12.234 ( 0.188 20.003 0.000) 20.004 12.236 ( -6.105 3.123 0.000) 6.858 12.286 ( 4.073 -0.684 0.000) 4.130 12.615 ( -8.588 3.160 0.000) 9.151 12.753 ( 10.098 9.606 0.000) 13.937 12.949 ( 0.282 -0.559 0.000) 0.626 13.230 ( 9.915 -12.729 0.000) 16.135 13.434 ( 8.588 -20.441 0.000) 22.172 14.393 ( 1.978 13.178 0.000) 13.325 14.670 ( -7.262 -0.256 0.000) 7.266 14.975 ( -2.143 3.375 0.000) 3.997 15.113 ( -21.139 2.940 0.000) 21.342 15.178 ( 3.239 -5.467 0.000) 6.354 15.223 ( -12.543 -1.580 0.000) 12.642 16.144 ( -7.645 4.187 0.000) 8.716 16.458 ( -8.056 -9.697 0.000) 12.607 16.658 ( 21.202 7.591 0.000) 22.520 17.189 ( 36.022 -21.599 0.000) 42.002 18.021 ( -1.195 4.622 0.000) 4.774 18.094 ( 1.048 1.326 0.000) 1.691 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.695 13.478 0.000) 13.584 1.400 ( 15.433 6.194 0.000) 16.630 1.634 ( -10.252 -5.764 0.000) 11.762 1.806 ( 5.851 -8.029 0.000) 9.935 2.447 ( -0.224 -7.693 0.000) 7.696 2.675 ( 5.312 -16.773 0.000) 17.594 2.758 ( -6.518 2.780 0.000) 7.086 2.963 ( -3.121 -1.946 0.000) 3.678 3.279 ( 6.425 18.375 0.000) 19.466 3.372 ( -9.453 6.829 0.000) 11.661 3.502 ( 6.662 13.849 0.000) 15.368 3.638 ( -9.566 1.152 0.000) 9.635 3.887 ( -9.275 2.012 0.000) 9.491 3.989 ( 1.254 0.905 0.000) 1.547 4.189 ( 21.637 0.279 0.000) 21.639 4.371 ( 14.647 -10.078 0.000) 17.779 4.656 ( -3.803 23.121 0.000) 23.432 4.840 ( 16.320 11.684 0.000) 20.071 5.165 ( 6.748 13.917 0.000) 15.467 5.407 ( 3.530 -3.823 0.000) 5.204 5.450 ( 7.249 -12.576 0.000) 14.516 5.614 ( -4.919 -3.448 0.000) 6.006 5.790 ( -7.444 -15.313 0.000) 17.027 5.804 ( 3.107 -14.152 0.000) 14.489 6.302 ( -7.201 8.608 0.000) 11.223 6.341 ( -18.439 11.093 0.000) 21.519 6.722 ( -10.235 -7.987 0.000) 12.983 6.849 ( -21.431 -11.998 0.000) 24.561 7.486 ( 4.899 17.465 0.000) 18.139 7.951 ( 0.432 12.120 0.000) 12.128 8.140 ( 7.453 -13.740 0.000) 15.631 8.361 ( 1.869 -7.389 0.000) 7.622 8.934 ( 6.429 6.118 0.000) 8.875 9.396 ( 11.150 -18.299 0.000) 21.429 9.426 ( -6.835 4.610 0.000) 8.244 9.682 ( -4.480 -6.816 0.000) 8.157 10.832 ( 4.458 23.572 0.000) 23.990 11.351 ( -5.010 14.525 0.000) 15.364 11.820 ( 1.324 -11.997 0.000) 12.070 11.873 ( 2.780 -8.404 0.000) 8.852 12.030 ( -8.965 5.620 0.000) 10.581 12.173 ( -6.557 11.096 0.000) 12.889 12.342 ( 0.643 -3.530 0.000) 3.588 12.455 ( -5.556 -2.246 0.000) 5.993 13.001 ( 5.484 8.651 0.000) 10.243 13.199 ( 27.999 5.427 0.000) 28.520 13.612 ( 25.668 -12.647 0.000) 28.615 13.630 ( 9.187 -17.592 0.000) 19.846 14.256 ( -12.844 8.058 0.000) 15.162 14.575 ( -9.641 -5.912 0.000) 11.310 14.765 ( -1.386 12.128 0.000) 12.207 14.936 ( -1.670 5.969 0.000) 6.199 15.164 ( 2.340 -6.662 0.000) 7.062 15.236 ( 1.752 -7.309 0.000) 7.516 15.897 ( -15.555 3.589 0.000) 15.964 16.199 ( -16.378 -9.525 0.000) 18.946 17.107 ( 19.796 10.472 0.000) 22.395 17.762 ( 18.307 -21.948 0.000) 28.580 17.980 ( -2.796 5.891 0.000) 6.521 18.119 ( 1.179 -0.326 0.000) 1.223 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.139 ( 2.948 7.046 0.000) 7.638 1.421 ( -9.664 -0.381 0.000) 9.672 1.747 ( 15.366 -6.860 0.000) 16.828 1.938 ( 5.454 -17.333 0.000) 18.171 2.491 ( 4.833 -3.302 0.000) 5.853 2.646 ( -3.295 5.556 0.000) 6.460 2.674 ( -1.683 -18.446 0.000) 18.523 2.882 ( -6.510 -5.333 0.000) 8.416 3.160 ( -7.496 11.006 0.000) 13.317 3.171 ( -6.540 4.798 0.000) 8.112 3.383 ( -11.945 -1.403 0.000) 12.027 3.461 ( -11.564 -0.346 0.000) 11.569 4.109 ( 7.948 14.682 0.000) 16.695 4.188 ( 21.169 24.011 0.000) 32.010 4.613 ( 13.131 9.897 0.000) 16.443 4.718 ( 17.257 -10.025 0.000) 19.958 4.745 ( 20.406 13.125 0.000) 24.262 5.150 ( 10.844 9.569 0.000) 14.463 5.341 ( 8.332 14.935 0.000) 17.102 5.357 ( -8.287 -0.887 0.000) 8.335 5.546 ( 0.888 -4.898 0.000) 4.978 5.550 ( -3.250 -7.687 0.000) 8.345 5.740 ( 3.845 -15.651 0.000) 16.116 5.776 ( -11.851 4.215 0.000) 12.579 6.031 ( -2.760 -8.764 0.000) 9.189 6.089 ( -12.320 4.892 0.000) 13.255 6.360 ( -22.589 -14.524 0.000) 26.856 6.467 ( -13.279 -8.411 0.000) 15.718 7.630 ( 8.022 17.175 0.000) 18.957 7.917 ( -3.761 12.825 0.000) 13.365 8.273 ( 5.044 -12.932 0.000) 13.880 8.380 ( -0.144 -8.874 0.000) 8.875 9.054 ( 5.182 7.741 0.000) 9.315 9.286 ( -6.147 5.717 0.000) 8.395 9.521 ( 2.132 -14.558 0.000) 14.713 9.593 ( -3.534 -7.690 0.000) 8.464 10.936 ( 5.553 22.437 0.000) 23.114 11.223 ( -6.866 17.595 0.000) 18.887 11.826 ( -0.127 12.586 0.000) 12.587 11.927 ( 1.655 -10.381 0.000) 10.512 11.940 ( -0.086 -17.466 0.000) 17.466 12.005 ( -7.529 7.072 0.000) 10.330 12.330 ( -1.144 -6.373 0.000) 6.474 12.363 ( -3.419 -7.259 0.000) 8.024 13.191 ( 11.956 12.646 0.000) 17.403 13.717 ( 7.374 3.536 0.000) 8.178 13.811 ( 7.754 -14.605 0.000) 16.536 13.962 ( -1.693 2.197 0.000) 2.774 14.271 ( 25.843 -7.673 0.000) 26.958 14.418 ( 6.224 -3.411 0.000) 7.098 14.886 ( -3.825 7.765 0.000) 8.656 14.900 ( 9.125 7.223 0.000) 11.638 15.231 ( -3.608 -7.634 0.000) 8.444 15.234 ( 3.666 -6.747 0.000) 7.679 15.500 ( -20.309 2.208 0.000) 20.429 15.769 ( -23.544 -9.166 0.000) 25.265 17.475 ( 14.710 10.770 0.000) 18.231 17.893 ( -5.613 7.633 0.000) 9.475 18.023 ( 7.490 -14.634 0.000) 16.439 18.136 ( 0.279 -3.323 0.000) 3.334 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.240 ( -6.827 3.523 0.000) 7.683 1.240 ( 6.827 3.523 0.000) 7.683 1.972 ( -4.132 -19.088 0.000) 19.530 1.972 ( 4.132 -19.088 0.000) 19.530 2.596 ( -3.167 3.377 0.000) 4.629 2.596 ( 3.167 3.377 0.000) 4.629 2.707 ( -6.339 -7.589 0.000) 9.888 2.707 ( 6.339 -7.589 0.000) 9.888 3.095 ( -2.090 4.187 0.000) 4.680 3.095 ( 2.090 4.187 0.000) 4.680 3.274 ( -4.019 -0.035 0.000) 4.019 3.274 ( 4.019 -0.035 0.000) 4.019 4.267 ( -5.689 21.537 0.000) 22.276 4.267 ( 5.689 21.537 0.000) 22.276 5.043 ( -7.097 -8.658 0.000) 11.195 5.043 ( 7.097 -8.658 0.000) 11.195 5.156 ( -24.516 14.311 0.000) 28.387 5.156 ( 24.516 14.311 0.000) 28.387 5.204 ( -8.810 8.952 0.000) 12.560 5.204 ( 8.810 8.952 0.000) 12.560 5.463 ( -4.003 5.674 0.000) 6.944 5.463 ( 4.003 5.674 0.000) 6.944 5.798 ( -10.705 -1.143 0.000) 10.765 5.798 ( 10.705 -1.143 0.000) 10.765 5.929 ( -10.569 -15.247 0.000) 18.551 5.929 ( 10.569 -15.247 0.000) 18.551 6.202 ( -9.967 -11.818 0.000) 15.460 6.202 ( 9.967 -11.818 0.000) 15.460 7.797 ( -7.193 14.717 0.000) 16.381 7.797 ( 7.193 14.717 0.000) 16.381 8.352 ( -2.491 -11.009 0.000) 11.288 8.352 ( 2.491 -11.009 0.000) 11.288 9.165 ( -5.404 6.926 0.000) 8.785 9.165 ( 5.404 6.926 0.000) 8.785 9.544 ( -1.110 -9.993 0.000) 10.055 9.544 ( 1.110 -9.993 0.000) 10.055 11.071 ( -7.050 20.257 0.000) 21.449 11.071 ( 7.050 20.257 0.000) 21.449 11.865 ( -4.071 13.049 0.000) 13.670 11.865 ( 4.071 13.049 0.000) 13.670 11.954 ( -0.397 -18.690 0.000) 18.694 11.954 ( 0.397 -18.690 0.000) 18.694 12.319 ( -0.580 -7.402 0.000) 7.425 12.319 ( 0.580 -7.402 0.000) 7.425 13.487 ( -15.330 9.258 0.000) 17.908 13.487 ( 15.330 9.258 0.000) 17.908 13.952 ( -4.990 -9.212 0.000) 10.477 13.952 ( 4.990 -9.212 0.000) 10.477 14.696 ( -17.034 5.358 0.000) 17.856 14.696 ( 17.034 5.358 0.000) 17.856 14.911 ( -23.386 -2.327 0.000) 23.502 14.911 ( 23.386 -2.327 0.000) 23.502 15.174 ( -16.820 -3.057 0.000) 17.096 15.174 ( 16.820 -3.057 0.000) 17.096 15.336 ( -9.142 -6.852 0.000) 11.425 15.336 ( 9.142 -6.852 0.000) 11.425 17.733 ( -9.678 9.476 0.000) 13.545 17.733 ( 9.678 9.476 0.000) 13.545 18.119 ( -2.229 -8.039 0.000) 8.343 18.119 ( 2.229 -8.039 0.000) 8.343 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 -18.909 0.000) 18.909 1.477 ( 0.000 18.909 0.000) 18.909 1.782 ( 0.000 -21.136 0.000) 21.136 1.782 ( 0.000 21.136 0.000) 21.136 2.109 ( 0.000 -4.742 0.000) 4.742 2.109 ( 0.000 4.742 0.000) 4.742 3.085 ( 0.000 -4.545 0.000) 4.545 3.085 ( 0.000 4.545 0.000) 4.545 3.248 ( 0.000 -13.663 0.000) 13.663 3.248 ( 0.000 13.663 0.000) 13.663 3.782 ( 0.000 -3.462 0.000) 3.462 3.782 ( 0.000 3.462 0.000) 3.462 3.903 ( 0.000 -12.342 0.000) 12.342 3.903 ( 0.000 12.342 0.000) 12.342 4.128 ( 0.000 -11.081 0.000) 11.081 4.128 ( 0.000 11.081 0.000) 11.081 4.719 ( 0.000 -17.705 0.000) 17.705 4.719 ( 0.000 17.705 0.000) 17.705 5.123 ( 0.000 -4.675 0.000) 4.675 5.123 ( 0.000 4.675 0.000) 4.675 5.374 ( 0.000 -16.074 0.000) 16.074 5.374 ( 0.000 16.074 0.000) 16.074 5.928 ( 0.000 -9.823 0.000) 9.823 5.928 ( 0.000 9.823 0.000) 9.823 6.779 ( 0.000 -3.662 0.000) 3.662 6.779 ( 0.000 3.662 0.000) 3.662 7.112 ( 0.000 -13.190 0.000) 13.190 7.112 ( 0.000 13.190 0.000) 13.190 7.574 ( 0.000 -5.524 0.000) 5.524 7.574 ( 0.000 5.524 0.000) 5.524 8.105 ( 0.000 -9.649 0.000) 9.649 8.105 ( 0.000 9.649 0.000) 9.649 8.685 ( 0.000 -1.024 0.000) 1.024 8.685 ( 0.000 1.024 0.000) 1.024 9.691 ( 0.000 -4.582 0.000) 4.582 9.691 ( 0.000 4.582 0.000) 4.582 11.242 ( 0.000 -26.482 0.000) 26.482 11.242 ( 0.000 26.482 0.000) 26.482 11.660 ( 0.000 -8.594 0.000) 8.594 11.660 ( 0.000 8.594 0.000) 8.594 12.221 ( 0.000 -0.646 0.000) 0.646 12.221 ( 0.000 0.646 0.000) 0.646 12.756 ( 0.000 -23.860 0.000) 23.860 12.756 ( 0.000 23.860 0.000) 23.860 12.877 ( 0.000 -9.648 0.000) 9.648 12.877 ( 0.000 9.648 0.000) 9.648 12.922 ( 0.000 -9.994 0.000) 9.994 12.922 ( 0.000 9.994 0.000) 9.994 14.582 ( 0.000 -9.714 0.000) 9.714 14.582 ( 0.000 9.714 0.000) 9.714 15.057 ( 0.000 -3.144 0.000) 3.144 15.057 ( 0.000 3.144 0.000) 3.144 15.508 ( 0.000 -5.000 0.000) 5.000 15.508 ( 0.000 5.000 0.000) 5.000 16.354 ( 0.000 -8.120 0.000) 8.120 16.354 ( 0.000 8.120 0.000) 8.120 16.455 ( 0.000 -4.534 0.000) 4.534 16.455 ( 0.000 4.534 0.000) 4.534 18.090 ( 0.000 -1.161 0.000) 1.161 18.090 ( 0.000 1.161 0.000) 1.161 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.477 ( -0.038 -18.888 0.000) 18.888 1.477 ( -0.038 18.888 0.000) 18.888 1.609 ( -7.729 -17.560 0.000) 19.186 1.609 ( -7.729 17.560 0.000) 19.186 2.321 ( 9.423 -4.393 0.000) 10.397 2.321 ( 9.423 4.393 0.000) 10.397 3.008 ( -6.220 -6.335 0.000) 8.878 3.008 ( -6.220 6.335 0.000) 8.878 3.375 ( 13.275 -17.101 0.000) 21.649 3.375 ( 13.275 17.101 0.000) 21.649 3.757 ( -6.407 -8.657 0.000) 10.770 3.757 ( -6.407 8.657 0.000) 10.770 3.919 ( 6.064 -5.268 0.000) 8.033 3.919 ( 6.064 5.268 0.000) 8.033 4.014 ( -8.970 -9.915 0.000) 13.370 4.014 ( -8.970 9.915 0.000) 13.370 4.850 ( 11.013 -17.455 0.000) 20.639 4.850 ( 11.013 17.455 0.000) 20.639 5.146 ( 1.185 -12.636 0.000) 12.692 5.146 ( 1.185 12.636 0.000) 12.692 5.408 ( 3.069 -15.577 0.000) 15.877 5.408 ( 3.069 15.577 0.000) 15.877 5.781 ( -10.595 -7.709 0.000) 13.103 5.781 ( -10.595 7.709 0.000) 13.103 6.693 ( -6.437 -11.571 0.000) 13.241 6.693 ( -6.437 11.571 0.000) 13.241 6.965 ( -13.074 -13.374 0.000) 18.703 6.965 ( -13.074 13.374 0.000) 18.703 7.681 ( 7.197 -12.225 0.000) 14.186 7.681 ( 7.197 12.225 0.000) 14.186 8.139 ( 2.485 -9.710 0.000) 10.023 8.139 ( 2.485 9.710 0.000) 10.023 8.850 ( 12.761 -4.874 0.000) 13.660 8.850 ( 12.761 4.874 0.000) 13.660 9.647 ( -3.871 -5.202 0.000) 6.484 9.647 ( -3.871 5.202 0.000) 6.484 11.276 ( 2.968 -26.366 0.000) 26.532 11.276 ( 2.968 26.366 0.000) 26.532 11.658 ( -0.185 -9.828 0.000) 9.830 11.658 ( -0.185 9.828 0.000) 9.830 12.269 ( 1.890 -1.003 0.000) 2.140 12.269 ( 1.890 1.003 0.000) 2.140 12.582 ( -10.376 -9.572 0.000) 14.117 12.582 ( -10.376 9.572 0.000) 14.117 12.978 ( 8.444 -11.805 0.000) 14.515 12.978 ( 8.444 11.805 0.000) 14.515 13.045 ( 9.988 -13.196 0.000) 16.550 13.045 ( 9.988 13.196 0.000) 16.550 14.598 ( -0.704 -6.741 0.000) 6.778 14.598 ( -0.704 6.741 0.000) 6.778 15.065 ( 0.702 -5.220 0.000) 5.267 15.065 ( 0.702 5.220 0.000) 5.267 15.175 ( -19.067 -2.915 0.000) 19.288 15.175 ( -19.067 2.915 0.000) 19.288 16.271 ( -7.917 -8.028 0.000) 11.275 16.271 ( -7.917 8.028 0.000) 11.275 16.857 ( 26.789 -12.168 0.000) 29.423 16.857 ( 26.789 12.168 0.000) 29.423 18.090 ( -0.111 -1.844 0.000) 1.848 18.090 ( -0.111 1.844 0.000) 1.848 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.473 ( -0.298 -20.552 0.000) 20.554 1.473 ( -0.298 20.552 0.000) 20.554 1.536 ( 0.011 -6.177 0.000) 6.177 1.536 ( 0.011 6.177 0.000) 6.177 2.406 ( 0.834 -5.911 0.000) 5.970 2.406 ( 0.834 5.911 0.000) 5.970 2.872 ( -5.703 -6.468 0.000) 8.623 2.872 ( -5.703 6.468 0.000) 8.623 3.548 ( -11.893 -8.601 0.000) 14.678 3.548 ( -11.893 8.601 0.000) 14.678 3.593 ( -5.349 -7.755 0.000) 9.421 3.593 ( -5.349 7.755 0.000) 9.421 4.022 ( 21.009 -12.771 0.000) 24.586 4.022 ( 21.009 12.771 0.000) 24.586 4.135 ( 13.030 -11.509 0.000) 17.385 4.135 ( 13.030 11.509 0.000) 17.385 5.125 ( 13.611 -14.974 0.000) 20.235 5.125 ( 13.611 14.974 0.000) 20.235 5.138 ( -2.122 -21.149 0.000) 21.255 5.138 ( -2.122 21.149 0.000) 21.255 5.498 ( 5.443 -15.028 0.000) 15.984 5.498 ( 5.443 15.028 0.000) 15.984 5.600 ( -5.535 -5.236 0.000) 7.619 5.600 ( -5.535 5.236 0.000) 7.619 6.522 ( -10.016 -11.144 0.000) 14.984 6.522 ( -10.016 11.144 0.000) 14.984 6.592 ( -21.419 -12.742 0.000) 24.923 6.592 ( -21.419 12.742 0.000) 24.923 7.829 ( 6.858 -16.067 0.000) 17.470 7.829 ( 6.858 16.067 0.000) 17.470 8.181 ( 0.961 -10.075 0.000) 10.120 8.181 ( 0.961 10.075 0.000) 10.120 9.104 ( 9.647 -10.772 0.000) 14.460 9.104 ( 9.647 10.772 0.000) 14.460 9.542 ( -5.550 -6.502 0.000) 8.548 9.542 ( -5.550 6.502 0.000) 8.548 11.353 ( 3.930 -26.035 0.000) 26.330 11.353 ( 3.930 26.035 0.000) 26.330 11.646 ( -1.167 -13.359 0.000) 13.410 11.646 ( -1.167 13.359 0.000) 13.410 12.228 ( -4.638 -7.940 0.000) 9.196 12.228 ( -4.638 7.940 0.000) 9.196 12.366 ( -9.481 -6.892 0.000) 11.722 12.366 ( -9.481 6.892 0.000) 11.722 13.262 ( 10.393 -16.511 0.000) 19.510 13.262 ( 10.393 16.511 0.000) 19.510 13.367 ( 26.379 -10.573 0.000) 28.419 13.367 ( 26.379 10.573 0.000) 28.419 14.428 ( -13.540 -8.142 0.000) 15.799 14.428 ( -13.540 8.142 0.000) 15.799 14.994 ( 1.109 -9.901 0.000) 9.963 14.994 ( 1.109 9.901 0.000) 9.963 15.079 ( 0.318 -7.635 0.000) 7.642 15.079 ( 0.318 7.635 0.000) 7.642 16.016 ( -16.128 -7.760 0.000) 17.898 16.016 ( -16.128 7.760 0.000) 17.898 17.375 ( 20.718 -15.787 0.000) 26.047 17.375 ( 20.718 15.787 0.000) 26.047 18.080 ( -0.990 -3.515 0.000) 3.652 18.080 ( -0.990 3.515 0.000) 3.652 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.476 ( 0.887 -22.962 0.000) 22.979 1.476 ( 0.887 22.962 0.000) 22.979 1.548 ( -0.182 -11.089 0.000) 11.090 1.548 ( -0.182 11.089 0.000) 11.090 2.460 ( 5.624 -2.529 0.000) 6.166 2.460 ( 5.624 2.529 0.000) 6.166 2.775 ( -4.245 -5.675 0.000) 7.087 2.775 ( -4.245 5.675 0.000) 7.087 3.299 ( -9.965 -6.435 0.000) 11.862 3.299 ( -9.965 6.435 0.000) 11.862 3.370 ( -10.837 -8.069 0.000) 13.512 3.370 ( -10.837 8.069 0.000) 13.512 4.437 ( 14.536 -16.090 0.000) 21.684 4.437 ( 14.536 16.090 0.000) 21.684 4.596 ( 24.389 -12.751 0.000) 27.521 4.596 ( 24.389 12.751 0.000) 27.521 5.091 ( 0.895 -18.246 0.000) 18.268 5.091 ( 0.895 18.246 0.000) 18.268 5.369 ( 7.909 -10.032 0.000) 12.775 5.369 ( 7.909 10.032 0.000) 12.775 5.528 ( -1.914 -4.266 0.000) 4.675 5.528 ( -1.914 4.266 0.000) 4.675 5.659 ( 10.173 -13.211 0.000) 16.674 5.659 ( 10.173 13.211 0.000) 16.674 6.081 ( -25.880 -11.325 0.000) 28.249 6.081 ( -25.880 11.325 0.000) 28.249 6.266 ( -13.729 -10.570 0.000) 17.326 6.266 ( -13.729 10.570 0.000) 17.326 7.972 ( 6.446 -15.960 0.000) 17.213 7.972 ( 6.446 15.960 0.000) 17.213 8.169 ( -2.111 -11.495 0.000) 11.687 8.169 ( -2.111 11.495 0.000) 11.687 9.252 ( 4.855 -11.485 0.000) 12.469 9.252 ( 4.855 11.485 0.000) 12.469 9.429 ( -4.876 -7.850 0.000) 9.241 9.429 ( -4.876 7.850 0.000) 9.241 11.435 ( 3.821 -25.067 0.000) 25.356 11.435 ( 3.821 25.067 0.000) 25.356 11.601 ( -3.162 -18.216 0.000) 18.488 11.601 ( -3.162 18.216 0.000) 18.488 12.141 ( -2.676 -12.050 0.000) 12.343 12.141 ( -2.676 12.050 0.000) 12.343 12.200 ( -5.786 -9.040 0.000) 10.733 12.200 ( -5.786 9.040 0.000) 10.733 13.486 ( 10.675 -15.892 0.000) 19.145 13.486 ( 10.675 15.892 0.000) 19.145 13.855 ( 6.512 -8.979 0.000) 11.091 13.855 ( 6.512 8.979 0.000) 11.091 14.297 ( 13.136 -6.761 0.000) 14.773 14.297 ( 13.136 6.761 0.000) 14.773 15.060 ( -2.963 -8.772 0.000) 9.259 15.060 ( -2.963 8.772 0.000) 9.259 15.073 ( 4.752 -8.718 0.000) 9.929 15.073 ( 4.752 8.718 0.000) 9.929 15.596 ( -22.519 -7.037 0.000) 23.593 15.596 ( -22.519 7.037 0.000) 23.593 17.728 ( 12.788 -13.630 0.000) 18.690 17.728 ( 12.788 13.630 0.000) 18.690 18.039 ( -3.167 -6.153 0.000) 6.921 18.039 ( -3.167 6.153 0.000) 6.921 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -2.412 -21.152 0.000) 21.289 1.514 ( 2.412 -21.152 0.000) 21.289 1.514 ( -2.412 21.152 0.000) 21.289 1.514 ( 2.412 21.152 0.000) 21.289 2.634 ( -9.104 -1.201 0.000) 9.183 2.634 ( -9.104 1.201 0.000) 9.183 2.634 ( 9.104 -1.201 0.000) 9.183 2.634 ( 9.104 1.201 0.000) 9.183 3.212 ( -2.635 -5.560 0.000) 6.153 3.212 ( 2.635 -5.560 0.000) 6.153 3.212 ( -2.635 5.560 0.000) 6.153 3.212 ( 2.635 5.560 0.000) 6.153 4.707 ( -9.198 -20.212 0.000) 22.206 4.707 ( 9.198 -20.212 0.000) 22.206 4.707 ( -9.198 20.212 0.000) 22.206 4.707 ( 9.198 20.212 0.000) 22.206 5.408 ( -14.665 -8.237 0.000) 16.820 5.408 ( 14.665 -8.237 0.000) 16.820 5.408 ( -14.665 8.237 0.000) 16.820 5.408 ( 14.665 8.237 0.000) 16.820 5.529 ( -10.182 -18.157 0.000) 20.817 5.529 ( 10.182 -18.157 0.000) 20.817 5.529 ( -10.182 18.157 0.000) 20.817 5.529 ( 10.182 18.157 0.000) 20.817 5.961 ( -14.168 -11.224 0.000) 18.075 5.961 ( 14.168 -11.224 0.000) 18.075 5.961 ( -14.168 11.224 0.000) 18.075 5.961 ( 14.168 11.224 0.000) 18.075 8.094 ( -4.808 -13.842 0.000) 14.654 8.094 ( 4.808 -13.842 0.000) 14.654 8.094 ( -4.808 13.842 0.000) 14.654 8.094 ( 4.808 13.842 0.000) 14.654 9.338 ( -3.818 -9.630 0.000) 10.359 9.338 ( 3.818 -9.630 0.000) 10.359 9.338 ( -3.818 9.630 0.000) 10.359 9.338 ( 3.818 9.630 0.000) 10.359 11.520 ( -4.132 -22.428 0.000) 22.805 11.520 ( 4.132 -22.428 0.000) 22.805 11.520 ( -4.132 22.428 0.000) 22.805 11.520 ( 4.132 22.428 0.000) 22.805 12.126 ( -1.305 -11.442 0.000) 11.516 12.126 ( 1.305 -11.442 0.000) 11.516 12.126 ( -1.305 11.442 0.000) 11.516 12.126 ( 1.305 11.442 0.000) 11.516 13.715 ( -10.728 -12.432 0.000) 16.421 13.715 ( 10.728 -12.432 0.000) 16.421 13.715 ( -10.728 12.432 0.000) 16.421 13.715 ( 10.728 12.432 0.000) 16.421 14.822 ( -23.418 -6.320 0.000) 24.256 14.822 ( -23.418 6.320 0.000) 24.256 14.822 ( 23.418 -6.320 0.000) 24.256 14.822 ( 23.418 6.320 0.000) 24.256 15.202 ( -9.944 -5.266 0.000) 11.253 15.202 ( 9.944 -5.266 0.000) 11.253 15.202 ( -9.944 5.266 0.000) 11.253 15.202 ( 9.944 5.266 0.000) 11.253 17.934 ( -6.978 -9.736 0.000) 11.978 17.934 ( 6.978 -9.736 0.000) 11.978 17.934 ( -6.978 9.736 0.000) 11.978 17.934 ( 6.978 9.736 0.000) 11.978 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.000 0.000 23.926) 23.926 0.535 ( 0.000 0.000 26.450) 26.450 1.106 ( 0.000 0.000 54.484) 54.484 1.450 ( 0.000 0.000 16.071) 16.071 2.494 ( 0.000 0.000 -12.497) 12.497 2.638 ( 0.000 0.000 -12.630) 12.630 2.778 ( 0.000 0.000 -4.237) 4.237 3.017 ( 0.000 0.000 -9.679) 9.679 3.114 ( 0.000 0.000 -1.006) 1.006 3.170 ( 0.000 0.000 10.866) 10.866 3.247 ( 0.000 0.000 -1.492) 1.492 3.542 ( 0.000 0.000 -2.418) 2.418 3.601 ( 0.000 0.000 -12.497) 12.497 3.713 ( 0.000 0.000 2.805) 2.805 4.113 ( 0.000 0.000 5.887) 5.887 4.569 ( 0.000 0.000 1.736) 1.736 4.761 ( 0.000 0.000 -0.815) 0.815 4.797 ( 0.000 0.000 -4.149) 4.149 4.808 ( 0.000 0.000 4.331) 4.331 5.279 ( 0.000 0.000 0.447) 0.447 5.367 ( 0.000 0.000 3.723) 3.723 5.584 ( 0.000 0.000 1.699) 1.699 5.984 ( 0.000 0.000 11.844) 11.844 6.412 ( 0.000 0.000 -3.642) 3.642 6.659 ( 0.000 0.000 -9.491) 9.491 6.723 ( 0.000 0.000 -12.780) 12.780 6.894 ( 0.000 0.000 -6.349) 6.349 7.349 ( 0.000 0.000 -4.935) 4.935 7.363 ( 0.000 0.000 1.192) 1.192 7.596 ( 0.000 0.000 -17.466) 17.466 8.317 ( 0.000 0.000 -6.902) 6.902 8.456 ( 0.000 0.000 -0.737) 0.737 8.657 ( 0.000 0.000 2.147) 2.147 8.894 ( 0.000 0.000 10.697) 10.697 9.675 ( 0.000 0.000 10.466) 10.466 10.164 ( 0.000 0.000 2.797) 2.797 10.168 ( 0.000 0.000 2.967) 2.967 10.945 ( 0.000 0.000 -3.408) 3.408 11.209 ( 0.000 0.000 0.835) 0.835 11.732 ( 0.000 0.000 8.575) 8.575 12.252 ( 0.000 0.000 10.382) 10.382 12.370 ( 0.000 0.000 -4.223) 4.223 12.372 ( 0.000 0.000 -2.970) 2.970 12.480 ( 0.000 0.000 -7.010) 7.010 12.531 ( 0.000 0.000 11.053) 11.053 12.890 ( 0.000 0.000 -13.699) 13.699 13.415 ( 0.000 0.000 -14.383) 14.383 13.847 ( 0.000 0.000 -0.528) 0.528 14.502 ( 0.000 0.000 -2.181) 2.181 14.866 ( 0.000 0.000 -0.211) 0.211 15.000 ( 0.000 0.000 8.955) 8.955 15.265 ( 0.000 0.000 -4.455) 4.455 15.357 ( 0.000 0.000 8.767) 8.767 15.607 ( 0.000 0.000 -30.079) 30.079 15.676 ( 0.000 0.000 -0.242) 0.242 15.677 ( 0.000 0.000 3.634) 3.634 16.766 ( 0.000 0.000 25.001) 25.001 17.892 ( 0.000 0.000 0.162) 0.162 17.998 ( 0.000 0.000 -0.062) 0.062 18.305 ( 0.000 0.000 -1.383) 1.383 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.790 ( 21.143 0.000 12.373) 24.497 0.857 ( 20.364 0.000 19.500) 28.195 1.518 ( 5.707 0.000 14.117) 15.227 1.635 ( 42.638 0.000 31.719) 53.142 2.317 ( -10.634 0.000 -7.219) 12.853 2.713 ( -1.178 0.000 -11.977) 12.035 2.720 ( -4.890 0.000 -6.514) 8.145 3.041 ( -3.557 0.000 -3.329) 4.872 3.090 ( 1.363 0.000 -5.382) 5.552 3.241 ( 8.612 0.000 4.813) 9.866 3.268 ( 3.833 0.000 -3.478) 5.176 3.495 ( -4.287 0.000 -1.854) 4.671 3.583 ( -1.581 0.000 -10.640) 10.757 3.664 ( -2.400 0.000 1.377) 2.767 4.263 ( 12.446 0.000 7.794) 14.685 4.373 ( -9.242 0.000 1.030) 9.299 4.512 ( -14.987 0.000 -1.022) 15.021 4.777 ( -1.412 0.000 -3.368) 3.652 4.858 ( 2.006 0.000 14.510) 14.648 5.172 ( -8.100 0.000 1.766) 8.290 5.562 ( 9.595 0.000 -5.077) 10.856 5.687 ( 8.089 0.000 4.074) 9.057 6.125 ( 8.632 0.000 5.868) 10.438 6.239 ( -14.109 0.000 -4.393) 14.777 6.533 ( -15.059 0.000 3.821) 15.536 6.640 ( -10.836 0.000 0.196) 10.837 6.662 ( 1.876 0.000 -4.734) 5.092 7.069 ( -7.351 0.000 -1.608) 7.525 7.456 ( 6.739 0.000 1.383) 6.879 7.485 ( -12.182 0.000 -9.756) 15.607 8.257 ( 7.043 0.000 0.066) 7.043 8.469 ( 0.853 0.000 -1.676) 1.880 8.756 ( 2.896 0.000 -0.453) 2.931 9.598 ( 6.009 0.000 -7.061) 9.272 9.630 ( 9.637 0.000 -9.167) 13.301 10.173 ( -0.174 0.000 -6.869) 6.872 10.197 ( 3.090 0.000 2.909) 4.244 10.966 ( 2.002 0.000 -3.173) 3.752 11.194 ( -1.844 0.000 4.213) 4.599 11.767 ( 3.974 0.000 3.184) 5.092 12.152 ( -4.984 0.000 6.580) 8.255 12.330 ( -0.625 0.000 -5.715) 5.749 12.399 ( -5.400 0.000 -7.237) 9.030 12.502 ( 7.266 0.000 13.287) 15.144 12.766 ( 19.452 0.000 12.325) 23.028 12.891 ( -0.572 0.000 -9.168) 9.186 13.469 ( 6.348 0.000 -16.398) 17.584 13.880 ( 2.280 0.000 -3.166) 3.901 14.257 ( -18.214 0.000 29.388) 34.575 14.493 ( -1.356 0.000 -2.455) 2.805 14.956 ( -19.054 0.000 -7.787) 20.584 15.100 ( 2.100 0.000 1.388) 2.517 15.160 ( -4.771 0.000 11.355) 12.317 15.431 ( 4.004 0.000 6.390) 7.541 15.799 ( 8.156 0.000 -18.764) 20.460 16.494 ( 11.732 0.000 -16.333) 20.110 16.804 ( 4.359 0.000 20.234) 20.698 17.869 ( -2.209 0.000 -0.071) 2.210 18.015 ( 1.642 0.000 -0.708) 1.788 18.365 ( 2.184 0.000 -11.487) 11.693 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 17.043 0.000 1.004) 17.072 1.305 ( 21.404 0.000 13.464) 25.286 1.619 ( 0.630 0.000 4.538) 4.582 2.140 ( -2.754 0.000 4.220) 5.039 2.550 ( 18.347 0.000 -1.800) 18.435 2.603 ( -5.343 0.000 -6.342) 8.293 2.635 ( 15.749 0.000 9.089) 18.183 2.904 ( -6.368 0.000 -3.505) 7.268 3.140 ( 1.649 0.000 -6.554) 6.758 3.293 ( -7.554 0.000 -3.272) 8.232 3.402 ( 9.472 0.000 -2.306) 9.749 3.434 ( -3.785 0.000 2.949) 4.798 3.555 ( 0.294 0.000 -5.013) 5.021 3.788 ( 17.690 0.000 -4.820) 18.335 4.115 ( -20.432 0.000 0.259) 20.434 4.279 ( -2.124 0.000 -9.415) 9.652 4.560 ( 12.300 0.000 6.281) 13.811 4.783 ( 4.585 0.000 1.111) 4.718 4.964 ( 8.696 0.000 15.165) 17.481 4.991 ( -8.465 0.000 0.446) 8.477 5.712 ( 3.137 0.000 -3.501) 4.701 5.850 ( 7.388 0.000 3.083) 8.005 5.873 ( -18.641 0.000 -6.937) 19.890 6.171 ( -5.799 0.000 -1.799) 6.072 6.351 ( -3.082 0.000 1.918) 3.630 6.450 ( -8.005 0.000 -0.986) 8.066 6.833 ( 13.906 0.000 4.816) 14.716 6.877 ( -11.262 0.000 -2.946) 11.641 7.134 ( -19.538 0.000 -6.042) 20.451 7.573 ( 3.258 0.000 2.345) 4.014 8.442 ( 6.902 0.000 1.809) 7.135 8.517 ( 5.527 0.000 -3.551) 6.570 8.829 ( 3.870 0.000 2.879) 4.823 9.445 ( -9.274 0.000 9.369) 13.183 9.758 ( -1.253 0.000 -11.356) 11.425 10.088 ( -8.283 0.000 -12.687) 15.152 10.293 ( 5.913 0.000 3.162) 6.706 10.988 ( -2.720 0.000 -0.183) 2.726 11.168 ( 2.318 0.000 4.739) 5.276 11.852 ( 0.499 0.000 -0.392) 0.635 12.119 ( 1.700 0.000 2.933) 3.390 12.344 ( 3.997 0.000 -10.729) 11.449 12.346 ( 2.084 0.000 -4.136) 4.631 12.610 ( 1.684 0.000 15.420) 15.511 12.823 ( -5.838 0.000 -2.557) 6.373 13.289 ( 27.998 0.000 12.987) 30.863 13.752 ( 20.192 0.000 -17.784) 26.907 13.870 ( -6.147 0.000 -13.657) 14.977 14.175 ( 5.005 0.000 9.120) 10.403 14.381 ( -8.809 0.000 1.174) 8.887 14.687 ( -3.270 0.000 -0.438) 3.299 15.076 ( -0.380 0.000 19.021) 19.025 15.196 ( 3.871 0.000 -6.372) 7.456 15.501 ( 2.065 0.000 5.296) 5.684 15.813 ( -7.148 0.000 -4.847) 8.636 16.455 ( -10.995 0.000 -0.649) 11.015 16.973 ( 11.121 0.000 7.771) 13.567 17.797 ( -4.653 0.000 -0.707) 4.707 18.065 ( 3.027 0.000 -2.296) 3.799 18.365 ( -1.748 0.000 -12.514) 12.635 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.425 ( 1.927 0.000 -5.857) 6.166 1.510 ( -7.441 0.000 -5.972) 9.541 1.748 ( 19.948 0.000 8.522) 21.692 2.274 ( 13.003 0.000 9.048) 15.841 2.425 ( -10.378 0.000 0.831) 10.411 2.592 ( 3.729 0.000 -2.259) 4.360 2.805 ( 0.224 0.000 -5.482) 5.487 3.042 ( -1.462 0.000 -7.238) 7.385 3.091 ( -9.441 0.000 0.300) 9.446 3.197 ( 6.359 0.000 -5.832) 8.628 3.269 ( -10.461 0.000 6.739) 12.443 3.563 ( -3.073 0.000 -0.695) 3.151 3.743 ( -5.215 0.000 1.511) 5.430 3.804 ( 14.133 0.000 3.436) 14.545 4.250 ( 22.816 0.000 -11.502) 25.551 4.316 ( 13.617 0.000 -6.097) 14.920 4.691 ( 3.816 0.000 0.725) 3.884 4.822 ( -7.340 0.000 -3.453) 8.111 5.006 ( 8.439 0.000 6.195) 10.469 5.195 ( 7.891 0.000 7.078) 10.600 5.513 ( -10.985 0.000 -6.796) 12.917 5.648 ( -6.011 0.000 -2.251) 6.419 5.948 ( -13.845 0.000 0.073) 13.845 5.983 ( 1.812 0.000 -1.325) 2.245 6.291 ( -5.083 0.000 0.852) 5.154 6.350 ( 1.541 0.000 2.358) 2.816 6.627 ( -10.832 0.000 -3.074) 11.260 6.734 ( -15.728 0.000 -3.307) 16.072 7.155 ( 14.800 0.000 6.151) 16.027 7.572 ( -3.540 0.000 3.842) 5.224 8.540 ( 4.551 0.000 0.057) 4.551 8.657 ( 3.828 0.000 5.747) 6.905 8.929 ( 6.120 0.000 3.126) 6.872 9.248 ( -8.664 0.000 6.317) 10.722 9.704 ( -2.254 0.000 -7.556) 7.885 9.875 ( -10.174 0.000 -9.358) 13.823 10.446 ( 8.335 0.000 3.453) 9.022 10.845 ( -9.050 0.000 3.647) 9.757 11.306 ( 9.126 0.000 1.150) 9.198 11.737 ( -9.273 0.000 0.177) 9.275 12.201 ( 5.512 0.000 -0.605) 5.545 12.397 ( 1.501 0.000 -3.576) 3.879 12.577 ( -3.270 0.000 12.833) 13.243 12.612 ( 18.834 0.000 -14.724) 23.906 12.687 ( -5.908 0.000 0.279) 5.915 13.549 ( -20.991 0.000 -20.856) 29.590 13.868 ( 23.115 0.000 11.811) 25.958 14.205 ( 18.203 0.000 -16.755) 24.740 14.274 ( -2.104 0.000 7.989) 8.261 14.326 ( 7.153 0.000 -4.299) 8.345 14.753 ( 9.018 0.000 2.476) 9.352 15.142 ( 7.418 0.000 17.736) 19.225 15.281 ( 3.867 0.000 -4.552) 5.972 15.521 ( 0.805 0.000 5.440) 5.500 15.528 ( -18.542 0.000 3.748) 18.917 16.113 ( -20.053 0.000 7.917) 21.559 17.234 ( 12.505 0.000 0.186) 12.507 17.669 ( -7.436 0.000 -1.498) 7.586 18.140 ( 3.881 0.000 -4.573) 5.998 18.307 ( -3.459 0.000 -10.246) 10.814 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -0.560 0.000 -7.446) 7.467 1.418 ( 0.560 0.000 -7.446) 7.467 2.137 ( -16.346 0.000 5.204) 17.154 2.137 ( 16.346 0.000 5.204) 17.154 2.559 ( -10.444 0.000 0.610) 10.462 2.559 ( 10.444 0.000 0.610) 10.462 2.904 ( -7.779 0.000 -9.228) 12.070 2.904 ( 7.779 0.000 -9.228) 12.070 3.048 ( -7.584 0.000 7.399) 10.596 3.048 ( 7.584 0.000 7.399) 10.596 3.357 ( -9.381 0.000 -0.357) 9.388 3.357 ( 9.381 0.000 -0.357) 9.388 3.821 ( -6.463 0.000 -1.506) 6.636 3.821 ( 6.463 0.000 -1.506) 6.636 4.646 ( -11.429 0.000 -9.515) 14.871 4.646 ( 11.429 0.000 -9.515) 14.871 4.860 ( -13.824 0.000 -1.301) 13.885 4.860 ( 13.824 0.000 -1.301) 13.885 4.908 ( -30.087 0.000 0.573) 30.092 4.908 ( 30.087 0.000 0.573) 30.092 5.625 ( -15.132 0.000 2.158) 15.285 5.625 ( 15.132 0.000 2.158) 15.285 5.795 ( -15.288 0.000 -1.637) 15.376 5.795 ( 15.288 0.000 -1.637) 15.376 6.329 ( -5.285 0.000 4.623) 7.021 6.329 ( 5.285 0.000 4.623) 7.021 6.525 ( -3.687 0.000 -4.513) 5.827 6.525 ( 3.687 0.000 -4.513) 5.827 7.425 ( -10.119 0.000 5.277) 11.412 7.425 ( 10.119 0.000 5.277) 11.412 8.641 ( -4.138 0.000 4.826) 6.357 8.641 ( 4.138 0.000 4.826) 6.357 9.082 ( -7.474 0.000 4.139) 8.544 9.082 ( 7.474 0.000 4.139) 8.544 9.714 ( -4.041 0.000 -7.624) 8.628 9.714 ( 4.041 0.000 -7.624) 8.628 10.640 ( -9.747 0.000 3.751) 10.444 10.640 ( 9.747 0.000 3.751) 10.444 11.520 ( -10.548 0.000 0.480) 10.559 11.520 ( 10.548 0.000 0.480) 10.559 12.335 ( -6.381 0.000 -1.993) 6.685 12.335 ( 6.381 0.000 -1.993) 6.685 12.583 ( -3.711 0.000 5.861) 6.938 12.583 ( 3.711 0.000 5.861) 6.938 13.067 ( -23.013 0.000 -17.774) 29.078 13.067 ( 23.013 0.000 -17.774) 29.078 14.193 ( -7.644 0.000 8.091) 11.131 14.193 ( 7.644 0.000 8.091) 11.131 14.407 ( -1.278 0.000 -11.533) 11.604 14.407 ( 1.278 0.000 -11.533) 11.604 15.087 ( -20.931 0.000 5.721) 21.699 15.087 ( 20.931 0.000 5.721) 21.699 15.308 ( -3.642 0.000 0.250) 3.651 15.308 ( 3.642 0.000 0.250) 3.651 15.678 ( -17.293 0.000 13.486) 21.930 15.678 ( 17.293 0.000 13.486) 21.930 17.480 ( -10.371 0.000 -1.759) 10.519 17.480 ( 10.371 0.000 -1.759) 10.519 18.226 ( -4.089 0.000 -7.367) 8.426 18.226 ( 4.089 0.000 -7.367) 8.426 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 15.955 16.954) 23.281 0.814 ( 0.000 22.455 16.118) 27.641 1.452 ( 0.000 28.218 38.294) 47.568 1.599 ( 0.000 10.192 9.637) 14.027 2.292 ( 0.000 -9.100 0.707) 9.127 2.643 ( 0.000 -8.370 -14.922) 17.109 2.816 ( 0.000 -6.350 -15.864) 17.088 3.040 ( 0.000 -0.781 5.602) 5.656 3.128 ( 0.000 14.309 -6.850) 15.864 3.275 ( 0.000 6.865 -5.714) 8.932 3.363 ( 0.000 -16.583 -8.212) 18.505 3.653 ( 0.000 19.079 3.833) 19.460 3.663 ( 0.000 8.651 -0.991) 8.708 3.956 ( 0.000 21.234 -12.647) 24.715 4.142 ( 0.000 1.883 4.987) 5.330 4.467 ( 0.000 -11.350 -2.932) 11.723 4.513 ( 0.000 -5.088 0.367) 5.101 4.704 ( 0.000 -8.554 6.823) 10.942 4.836 ( 0.000 3.678 -5.374) 6.512 5.299 ( 0.000 -5.491 3.885) 6.727 5.485 ( 0.000 -9.307 0.810) 9.342 5.811 ( 0.000 23.390 -6.412) 24.253 5.965 ( 0.000 -1.543 10.829) 10.938 6.304 ( 0.000 -16.166 -12.621) 20.509 6.532 ( 0.000 10.618 -3.418) 11.154 6.861 ( 0.000 -3.107 -6.561) 7.259 6.895 ( 0.000 -13.633 2.223) 13.813 7.085 ( 0.000 3.738 -10.277) 10.936 7.448 ( 0.000 -1.430 -2.022) 2.477 7.573 ( 0.000 -2.101 -16.434) 16.568 8.173 ( 0.000 -6.522 14.277) 15.696 8.432 ( 0.000 -2.379 0.633) 2.462 8.649 ( 0.000 -0.649 1.454) 1.592 8.750 ( 0.000 -5.530 7.394) 9.233 9.684 ( 0.000 1.025 10.124) 10.175 10.038 ( 0.000 -6.733 9.322) 11.499 10.322 ( 0.000 14.638 2.302) 14.818 11.280 ( 0.000 6.572 0.361) 6.582 11.400 ( 0.000 21.416 -24.156) 32.282 11.862 ( 0.000 11.498 5.759) 12.860 12.192 ( 0.000 -10.451 8.207) 13.288 12.278 ( 0.000 -2.530 -4.521) 5.181 12.339 ( 0.000 -2.167 -0.203) 2.177 12.530 ( 0.000 4.077 -2.137) 4.604 12.593 ( 0.000 5.148 6.125) 8.001 12.870 ( 0.000 -1.917 -13.198) 13.336 13.286 ( 0.000 -10.365 -10.819) 14.983 13.721 ( 0.000 -12.259 0.887) 12.291 14.304 ( 0.000 -4.249 10.136) 10.990 14.815 ( 0.000 -4.728 -1.783) 5.053 15.147 ( 0.000 5.023 8.381) 9.771 15.301 ( 0.000 3.082 -1.232) 3.319 15.335 ( 0.000 -1.687 8.514) 8.680 15.606 ( 0.000 -0.755 -19.835) 19.850 15.676 ( 0.000 0.467 -9.209) 9.221 15.799 ( 0.000 6.496 -19.896) 20.930 16.783 ( 0.000 1.836 24.800) 24.868 17.699 ( 0.000 -28.040 24.443) 37.198 17.983 ( 0.000 0.369 5.908) 5.920 18.029 ( 0.000 2.631 0.027) 2.631 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 18.366 8.928 12.646) 24.020 0.997 ( 11.395 12.873 19.973) 26.353 1.603 ( 6.211 10.342 8.072) 14.516 1.877 ( 25.236 13.656 17.195) 33.451 2.195 ( -2.757 -3.734 5.925) 7.527 2.614 ( -2.907 -8.110 -12.863) 15.482 2.854 ( -1.210 0.946 -7.170) 7.332 2.999 ( -0.975 -3.245 -0.739) 3.468 3.108 ( -2.053 6.942 -7.498) 10.423 3.300 ( 2.418 3.462 -3.897) 5.746 3.374 ( -1.281 -10.229 -5.987) 11.921 3.600 ( 1.011 17.324 -2.001) 17.468 3.631 ( -2.805 10.250 1.229) 10.698 3.849 ( -7.877 17.455 -9.226) 21.257 4.266 ( 6.110 -2.336 5.481) 8.534 4.336 ( -5.762 -2.889 -2.261) 6.831 4.456 ( -4.992 -1.017 -0.171) 5.097 4.677 ( 0.824 -8.856 12.020) 14.953 4.833 ( 0.271 5.192 -3.934) 6.519 5.379 ( 3.001 0.612 3.718) 4.817 5.542 ( 2.135 -5.252 -4.483) 7.228 5.691 ( -0.739 8.172 2.792) 8.667 6.124 ( 4.862 0.774 3.538) 6.062 6.214 ( -6.334 -19.805 -6.906) 21.910 6.311 ( -14.524 1.205 2.322) 14.758 6.473 ( -11.117 -0.845 5.105) 12.263 6.975 ( -5.616 -0.707 -2.300) 6.110 7.050 ( 0.911 11.391 -7.573) 13.709 7.360 ( -9.827 -6.459 -4.233) 12.498 7.623 ( 4.033 7.842 -6.501) 10.955 8.208 ( 6.724 -4.036 4.155) 8.875 8.450 ( 1.479 -1.913 -0.219) 2.428 8.745 ( 3.059 -0.824 -0.940) 3.305 9.279 ( 28.139 -22.584 -12.705) 38.253 9.621 ( -5.694 1.030 10.074) 11.618 9.998 ( -3.516 -7.835 6.911) 11.023 10.360 ( 3.335 14.381 2.142) 14.918 11.243 ( -3.705 9.256 0.547) 9.984 11.394 ( -0.954 19.581 -17.907) 26.551 11.884 ( 2.566 10.023 1.588) 10.468 12.099 ( -5.066 -6.142 4.172) 8.988 12.278 ( 0.458 -3.186 -5.237) 6.147 12.389 ( -0.735 -2.170 -2.693) 3.536 12.497 ( 1.087 1.374 9.691) 9.848 12.794 ( 17.764 2.657 11.794) 21.488 12.876 ( 0.106 -1.359 -8.742) 8.848 13.362 ( 8.228 -9.045 -12.786) 17.692 13.770 ( 3.822 -10.727 -1.107) 11.441 14.271 ( -2.360 3.671 13.611) 14.294 14.598 ( -14.021 5.365 0.406) 15.018 14.969 ( -20.473 1.450 -8.662) 22.278 15.103 ( -0.872 -0.311 -5.602) 5.678 15.158 ( -5.484 0.626 17.537) 18.385 15.403 ( 3.326 -2.409 6.642) 7.809 15.827 ( 7.844 2.711 -17.316) 19.202 16.415 ( 11.316 -7.030 -15.877) 20.726 16.829 ( 5.138 2.587 19.631) 20.457 17.853 ( 6.297 -12.049 0.267) 13.598 18.002 ( 4.109 -9.683 4.678) 11.512 18.055 ( 2.586 -1.094 0.922) 2.955 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 7.761 1.249 14.616) 16.596 1.355 ( 20.827 3.026 7.789) 22.441 1.710 ( 0.883 2.739 -1.679) 3.332 1.974 ( 0.784 -5.700 9.967) 11.509 2.490 ( 1.500 -6.446 -8.941) 11.124 2.597 ( 2.955 1.368 -7.044) 7.760 2.851 ( 9.456 11.069 10.479) 17.937 2.982 ( -3.639 -0.095 -4.601) 5.867 3.113 ( 6.033 1.638 -7.370) 9.664 3.291 ( -2.157 1.727 -0.039) 2.764 3.331 ( -0.618 -12.113 -0.017) 12.129 3.512 ( -4.146 12.139 -3.025) 13.179 3.677 ( -5.195 14.408 0.790) 15.336 3.880 ( 16.850 6.245 -8.853) 20.032 4.075 ( -12.858 -1.563 1.390) 13.028 4.270 ( -1.515 1.357 -7.641) 7.907 4.627 ( 11.729 5.603 5.997) 14.315 4.773 ( 8.414 -6.033 6.336) 12.138 4.883 ( 5.724 8.272 -0.915) 10.101 5.321 ( -5.110 15.944 4.698) 17.389 5.612 ( 2.862 -8.677 -3.960) 9.958 5.791 ( 6.122 -4.933 4.439) 9.028 5.928 ( -17.120 1.629 -7.652) 18.823 6.060 ( -5.184 -11.274 -4.980) 13.371 6.199 ( -3.984 -10.302 0.095) 11.046 6.360 ( -2.414 -0.794 8.315) 8.695 6.827 ( -9.805 -4.097 -2.237) 10.859 7.036 ( -18.997 -7.931 -3.834) 20.940 7.105 ( 7.128 17.805 0.094) 19.179 7.705 ( 2.288 10.233 0.192) 10.487 8.381 ( 7.472 -5.852 3.385) 10.076 8.502 ( 3.940 -1.765 -1.133) 4.464 8.827 ( 4.496 0.315 0.574) 4.544 9.459 ( -9.036 1.371 8.754) 12.655 9.609 ( 5.381 -14.639 -14.449) 21.261 9.900 ( -5.663 -10.180 0.804) 11.677 10.452 ( 5.228 14.009 2.124) 15.103 11.130 ( -6.670 10.526 2.827) 12.778 11.374 ( 0.272 16.309 -7.707) 18.040 11.920 ( -1.816 5.028 -1.313) 5.505 12.072 ( 2.350 -4.363 1.609) 5.210 12.310 ( 2.238 -3.341 -2.095) 4.534 12.335 ( 0.687 -1.006 -10.286) 10.358 12.541 ( 0.004 -5.712 14.261) 15.363 12.842 ( -2.053 2.282 -3.812) 4.895 13.301 ( 27.725 1.311 13.092) 30.688 13.694 ( 22.405 -5.565 -13.624) 26.807 13.818 ( -1.521 -5.147 -8.754) 10.268 14.235 ( -2.393 3.411 9.726) 10.581 14.409 ( -4.834 4.440 -5.745) 8.723 14.635 ( -7.416 -4.289 -2.074) 8.815 15.105 ( -0.441 2.489 16.991) 17.178 15.147 ( 3.610 -4.649 -5.912) 8.343 15.461 ( 1.651 -3.438 5.732) 6.884 15.827 ( -7.910 1.521 -3.413) 8.748 16.378 ( -10.867 -6.939 -0.592) 12.907 17.020 ( 12.135 4.570 6.982) 14.727 17.847 ( -3.711 4.112 -1.425) 5.719 18.081 ( 2.567 0.631 -2.358) 3.543 18.160 ( 4.472 -16.357 -6.709) 18.236 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 2.292 -6.652 5.854) 9.153 1.488 ( -7.261 -0.406 -0.826) 7.319 1.875 ( 17.063 0.404 1.645) 17.147 2.131 ( 9.160 -1.927 9.542) 13.367 2.472 ( -0.159 -0.319 -4.206) 4.221 2.593 ( 0.742 -1.726 -2.863) 3.425 2.814 ( -4.751 0.735 -5.531) 7.328 2.986 ( -3.785 -6.419 -6.613) 9.962 3.116 ( -6.628 -0.377 2.011) 6.937 3.167 ( -0.239 -2.292 -4.337) 4.911 3.277 ( -9.198 -3.003 1.441) 9.782 3.509 ( -10.905 -0.215 1.345) 10.990 3.782 ( 12.593 9.028 3.120) 15.806 3.911 ( 3.020 12.097 4.152) 13.141 4.345 ( 20.921 4.542 -12.417) 24.749 4.369 ( 19.190 8.863 -5.419) 21.821 4.793 ( 5.903 7.582 0.786) 9.641 4.930 ( 1.984 5.684 -6.530) 8.882 5.085 ( 8.002 6.763 2.393) 10.747 5.280 ( 2.399 8.432 7.510) 11.543 5.488 ( -14.250 -3.653 -12.470) 19.285 5.594 ( -12.321 -2.500 -1.167) 12.626 5.865 ( -2.637 -4.424 2.574) 5.757 6.002 ( 2.095 -2.583 -1.512) 3.653 6.163 ( -0.060 -11.127 3.862) 11.778 6.281 ( -2.594 -4.792 4.814) 7.270 6.578 ( -12.484 -4.166 -2.412) 13.380 6.625 ( -17.317 -9.387 -0.952) 19.721 7.328 ( 11.890 14.233 4.194) 19.015 7.693 ( -3.547 10.357 2.793) 11.298 8.497 ( 4.482 -4.764 1.990) 6.837 8.596 ( 2.855 -5.546 5.823) 8.533 8.941 ( 6.543 1.664 0.987) 6.823 9.266 ( -8.608 1.869 5.671) 10.476 9.633 ( -0.721 -7.266 -9.378) 11.885 9.761 ( -6.922 -8.617 -4.451) 11.915 10.586 ( 7.544 13.113 2.936) 15.410 10.963 ( -8.851 10.991 3.954) 14.655 11.439 ( 5.761 11.199 -3.008) 12.948 11.792 ( -8.745 4.783 -1.344) 10.058 12.157 ( 5.403 -5.148 -0.022) 7.463 12.358 ( 2.318 -4.375 -2.927) 5.752 12.422 ( 3.061 -10.121 -8.675) 13.677 12.471 ( -5.333 -8.661 11.502) 15.354 12.886 ( 8.502 11.658 -5.444) 15.422 13.592 ( -17.532 3.747 -16.164) 24.139 13.867 ( 22.203 0.213 9.422) 24.120 14.173 ( 2.828 -7.682 3.469) 8.891 14.228 ( 18.222 1.460 -11.452) 21.571 14.409 ( 3.542 5.093 -2.881) 6.840 14.660 ( 8.420 -7.360 0.918) 11.221 15.141 ( 3.971 -0.378 12.496) 13.117 15.228 ( 3.465 -4.680 -1.444) 5.999 15.468 ( -2.457 -3.374 5.291) 6.739 15.544 ( -14.836 0.347 5.114) 15.697 16.039 ( -19.762 -6.645 7.902) 22.296 17.296 ( 12.985 5.908 -0.083) 14.266 17.732 ( -7.057 5.667 -1.583) 9.188 18.135 ( 2.535 -0.653 -4.178) 4.930 18.205 ( 0.164 -9.197 -8.459) 12.497 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -3.902 -4.459 0.283) 5.932 1.355 ( 3.902 -4.459 0.283) 5.932 2.169 ( -8.121 0.554 2.738) 8.588 2.169 ( 8.121 0.554 2.738) 8.588 2.540 ( -6.657 -0.917 -0.343) 6.728 2.540 ( 6.657 -0.917 -0.343) 6.728 2.838 ( -6.717 -6.522 -6.495) 11.395 2.838 ( 6.717 -6.522 -6.495) 11.395 3.082 ( -6.193 0.881 2.296) 6.663 3.082 ( 6.193 0.881 2.296) 6.663 3.286 ( -8.809 -4.123 0.621) 9.745 3.286 ( 8.809 -4.123 0.621) 9.745 3.904 ( -3.884 11.048 0.327) 11.716 3.904 ( 3.884 11.048 0.327) 11.716 4.781 ( -11.699 8.820 -13.419) 19.868 4.781 ( 11.699 8.820 -13.419) 19.868 4.929 ( -5.099 8.989 1.021) 10.385 4.929 ( 5.099 8.989 1.021) 10.385 5.024 ( -18.469 7.757 -3.311) 20.304 5.024 ( 18.469 7.757 -3.311) 20.304 5.443 ( -6.767 -11.052 -2.422) 13.183 5.443 ( 6.767 -11.052 -2.422) 13.183 5.906 ( -8.675 5.388 5.633) 11.662 5.906 ( 8.675 5.388 5.633) 11.662 6.254 ( -6.692 -7.438 5.803) 11.567 6.254 ( 6.692 -7.438 5.803) 11.567 6.399 ( -3.506 -10.550 -3.695) 11.716 6.399 ( 3.506 -10.550 -3.695) 11.716 7.557 ( -9.014 11.468 4.218) 15.184 7.557 ( 9.014 11.468 4.218) 15.184 8.585 ( -3.270 -5.590 5.303) 8.370 8.585 ( 3.270 -5.590 5.303) 8.370 9.097 ( -7.641 1.823 2.917) 8.380 9.097 ( 7.641 1.823 2.917) 8.380 9.647 ( -2.952 -6.069 -6.809) 9.587 9.647 ( 2.952 -6.069 -6.809) 9.587 10.767 ( -9.231 11.971 3.635) 15.548 10.767 ( 9.231 11.971 3.635) 15.548 11.599 ( -8.795 7.059 -1.524) 11.380 11.599 ( 8.795 7.059 -1.524) 11.380 12.293 ( -7.031 -5.155 -1.156) 8.795 12.293 ( 7.031 -5.155 -1.156) 8.795 12.435 ( -1.701 -10.937 1.834) 11.220 12.435 ( 1.701 -10.937 1.834) 11.220 13.191 ( -18.326 9.916 -12.212) 24.152 13.191 ( 18.326 9.916 -12.212) 24.152 14.140 ( -4.930 -4.722 5.588) 8.822 14.140 ( 4.930 -4.722 5.588) 8.822 14.468 ( -2.123 4.808 -10.549) 11.785 14.468 ( 2.123 4.808 -10.549) 11.785 15.001 ( -20.419 -7.169 3.872) 21.985 15.001 ( 20.419 -7.169 3.872) 21.985 15.298 ( -3.135 -0.948 2.712) 4.253 15.298 ( 3.135 -0.948 2.712) 4.253 15.622 ( -15.774 -5.119 13.123) 21.148 15.622 ( 15.774 -5.119 13.123) 21.148 17.547 ( -10.383 6.189 -1.780) 12.218 17.547 ( 10.383 6.189 -1.780) 12.218 18.184 ( -1.869 -3.975 -6.582) 7.913 18.184 ( 1.869 -3.975 -6.582) 7.913 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.080 ( 0.000 19.613 6.576) 20.686 1.323 ( 0.000 25.223 7.721) 26.378 1.684 ( 0.000 -2.204 -0.779) 2.337 1.994 ( 0.000 18.167 21.260) 27.965 2.188 ( 0.000 -4.388 6.605) 7.930 2.346 ( 0.000 -18.415 -5.992) 19.366 2.789 ( 0.000 7.235 -9.733) 12.127 3.004 ( 0.000 -9.364 -6.263) 11.266 3.116 ( 0.000 6.567 2.993) 7.217 3.367 ( 0.000 5.850 -6.400) 8.670 3.522 ( 0.000 13.250 -5.357) 14.292 3.779 ( 0.000 1.926 0.701) 2.049 3.910 ( 0.000 5.847 2.744) 6.459 4.095 ( 0.000 -9.166 -1.194) 9.244 4.148 ( 0.000 -1.743 9.757) 9.911 4.470 ( 0.000 4.053 4.736) 6.234 4.503 ( 0.000 -10.066 8.411) 13.118 4.519 ( 0.000 13.461 -25.215) 28.583 4.921 ( 0.000 2.986 -10.383) 10.803 5.216 ( 0.000 -15.561 1.875) 15.673 5.243 ( 0.000 3.161 3.792) 4.937 5.762 ( 0.000 -16.981 1.165) 17.021 5.950 ( 0.000 1.200 9.661) 9.735 6.284 ( 0.000 -1.038 2.429) 2.642 6.551 ( 0.000 -6.433 -9.161) 11.194 6.771 ( 0.000 -3.785 -7.489) 8.391 6.799 ( 0.000 12.659 -3.169) 13.049 7.261 ( 0.000 4.697 -11.052) 12.009 7.343 ( 0.000 -5.439 -4.044) 6.777 7.515 ( 0.000 -3.522 -14.333) 14.760 8.153 ( 0.000 3.238 14.879) 15.227 8.360 ( 0.000 -4.542 4.227) 6.204 8.640 ( 0.000 -0.095 0.063) 0.114 8.681 ( 0.000 -2.174 0.777) 2.308 9.721 ( 0.000 2.717 9.637) 10.012 9.908 ( 0.000 -6.035 9.360) 11.137 10.721 ( 0.000 23.153 0.936) 23.172 11.450 ( 0.000 9.112 -0.996) 9.166 11.581 ( 0.000 -4.220 -11.909) 12.635 11.849 ( 0.000 -17.482 1.625) 17.558 12.141 ( 0.000 11.179 -4.733) 12.139 12.298 ( 0.000 -1.775 2.239) 2.857 12.386 ( 0.000 14.600 7.619) 16.469 12.627 ( 0.000 5.063 -2.571) 5.679 12.721 ( 0.000 7.078 0.364) 7.088 12.813 ( 0.000 -3.498 -11.093) 11.631 13.072 ( 0.000 -9.837 -6.851) 11.987 13.358 ( 0.000 -22.354 3.613) 22.644 14.355 ( 0.000 6.593 0.591) 6.619 14.685 ( 0.000 -7.619 -4.391) 8.794 15.212 ( 0.000 2.383 13.013) 13.230 15.300 ( 0.000 -1.793 11.171) 11.314 15.380 ( 0.000 4.422 0.119) 4.424 15.560 ( 0.000 -3.482 -5.626) 6.617 15.711 ( 0.000 2.907 -23.705) 23.883 15.848 ( 0.000 -1.200 -28.890) 28.915 16.850 ( 0.000 4.908 24.659) 25.143 17.244 ( 0.000 -16.110 28.329) 32.590 18.049 ( 0.000 3.532 1.517) 3.844 18.083 ( 0.000 2.045 0.252) 2.061 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 6.960 14.143 7.940) 17.650 1.353 ( 1.568 18.886 12.992) 22.977 1.687 ( 0.255 -2.673 0.128) 2.688 2.031 ( -5.373 -0.638 14.441) 15.421 2.255 ( 11.899 2.715 0.804) 12.232 2.402 ( 4.345 -10.573 -8.452) 14.216 2.815 ( 0.677 -0.805 -5.294) 5.397 2.990 ( -0.881 -4.333 -5.226) 6.845 3.111 ( 1.748 11.296 4.551) 12.303 3.402 ( -0.612 8.326 -8.528) 11.934 3.513 ( 1.209 9.715 -2.864) 10.200 3.765 ( -0.474 4.261 0.053) 4.288 3.846 ( -5.484 6.225 1.765) 8.482 4.034 ( -4.388 -5.263 -2.228) 7.206 4.139 ( -2.971 -5.958 6.480) 9.291 4.342 ( -3.893 -1.335 -6.404) 7.612 4.539 ( 6.558 6.091 3.271) 9.529 4.627 ( 5.283 9.539 -1.246) 10.975 4.968 ( 3.260 6.521 -8.471) 11.176 5.297 ( 5.302 -10.400 -1.758) 11.806 5.327 ( 7.741 -5.043 4.724) 10.376 5.748 ( -0.963 -12.348 1.466) 12.472 5.835 ( -8.277 -5.995 2.047) 10.423 6.106 ( -18.775 -10.590 6.240) 22.440 6.362 ( 0.013 12.230 -3.204) 12.643 6.637 ( -12.327 10.755 -4.699) 17.021 6.856 ( -2.443 -6.199 -3.077) 7.340 7.179 ( -11.355 -9.803 -4.082) 15.547 7.340 ( 3.902 12.116 -7.514) 14.781 7.700 ( 11.567 -2.110 -12.069) 16.850 8.164 ( 2.223 1.778 12.006) 12.339 8.384 ( 1.898 -4.694 4.149) 6.546 8.740 ( 5.265 0.709 -2.525) 5.882 8.934 ( 19.962 -10.907 -4.700) 23.228 9.661 ( -5.459 2.866 9.029) 10.933 9.857 ( -4.528 -6.325 7.631) 10.896 10.754 ( 2.909 22.939 0.749) 23.135 11.440 ( -1.314 9.522 0.541) 9.627 11.612 ( 2.091 -1.707 -12.312) 12.605 11.838 ( -0.970 -14.504 1.190) 14.585 12.105 ( -1.837 8.418 -5.813) 10.394 12.320 ( -0.031 -1.041 -3.949) 4.084 12.369 ( -2.364 9.723 4.471) 10.960 12.549 ( -5.718 2.886 1.753) 6.641 12.843 ( 3.934 0.199 -3.949) 5.578 12.884 ( 14.780 5.168 5.874) 16.723 13.158 ( 9.891 -9.962 -6.538) 15.486 13.452 ( 7.558 -19.368 2.187) 20.905 14.395 ( 3.384 7.297 -0.134) 8.045 14.631 ( -8.161 -2.015 -3.462) 9.091 15.013 ( -22.776 2.489 -8.477) 24.429 15.083 ( -14.203 -1.166 -6.659) 15.730 15.196 ( -1.912 2.723 16.979) 17.302 15.341 ( 1.922 -3.563 8.681) 9.579 15.911 ( 7.563 5.533 -15.422) 18.046 16.239 ( 9.773 -9.355 -15.079) 20.259 16.920 ( 7.343 6.403 18.366) 20.789 17.411 ( 14.642 -19.316 14.814) 28.407 18.032 ( -1.448 3.969 1.139) 4.375 18.092 ( 0.648 1.470 -0.118) 1.611 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 2.501 8.116 16.874) 18.891 1.439 ( 12.122 4.891 3.834) 13.622 1.641 ( -5.640 -1.986 4.194) 7.304 1.969 ( 1.308 -5.005 12.477) 13.507 2.364 ( 2.112 -4.014 -7.577) 8.831 2.537 ( 3.529 -7.940 -10.530) 13.652 2.766 ( -4.367 -9.257 -0.944) 10.279 2.930 ( -3.140 -3.999 -3.848) 6.376 3.244 ( -3.771 12.302 -2.001) 13.022 3.334 ( -0.195 7.878 -3.615) 8.670 3.490 ( -3.559 10.081 -0.535) 10.704 3.676 ( -2.295 2.428 2.130) 3.962 3.863 ( -5.090 4.065 -1.125) 6.611 3.979 ( 12.664 3.848 -6.130) 14.586 4.124 ( 5.756 4.643 4.526) 8.670 4.412 ( 7.700 8.148 -8.847) 14.281 4.676 ( 5.311 2.833 9.416) 11.176 4.822 ( 13.033 8.652 -1.168) 15.687 5.067 ( 6.405 8.438 -7.094) 12.749 5.397 ( 3.018 -10.521 -4.115) 11.693 5.477 ( 3.853 -1.813 2.908) 5.157 5.691 ( -3.439 -8.552 1.546) 9.346 5.743 ( -0.111 -9.688 0.003) 9.689 5.833 ( -5.676 -9.034 1.407) 10.762 6.228 ( -14.889 8.836 -3.498) 17.664 6.397 ( -8.265 4.305 1.871) 9.505 6.714 ( -10.210 -6.358 -0.527) 12.040 6.845 ( -18.574 -9.912 -0.494) 21.059 7.467 ( 7.855 16.828 -1.497) 18.631 7.891 ( 5.791 4.753 -4.749) 8.870 8.238 ( 4.158 -5.345 8.920) 11.200 8.426 ( 1.795 -5.762 4.550) 7.558 8.873 ( 6.770 4.637 -4.242) 9.238 9.274 ( 10.739 -15.099 -9.572) 20.854 9.510 ( -8.151 3.465 6.954) 11.261 9.734 ( -6.561 -7.009 3.885) 10.357 10.835 ( 4.583 22.333 0.642) 22.807 11.381 ( -4.260 12.826 2.806) 13.803 11.640 ( 0.621 4.571 -12.342) 13.176 11.826 ( 0.286 -12.076 0.258) 12.082 12.077 ( -1.557 2.841 -3.617) 4.856 12.270 ( -5.860 1.498 6.442) 8.837 12.292 ( -1.950 -3.264 -9.993) 10.692 12.430 ( -5.495 -4.280 4.095) 8.080 12.946 ( 6.971 8.666 -4.379) 11.953 13.352 ( 26.656 3.877 12.056) 29.511 13.519 ( 19.453 -12.077 -6.602) 23.830 13.649 ( 13.506 -10.180 1.479) 16.978 14.300 ( -15.073 4.074 2.132) 15.758 14.501 ( -1.911 -2.643 -6.859) 7.595 14.610 ( -9.445 7.764 -7.037) 14.107 15.010 ( 2.237 -8.343 -7.836) 11.662 15.174 ( -0.351 4.025 15.235) 15.761 15.375 ( 0.904 -4.850 7.825) 9.250 15.886 ( -9.347 4.511 -1.479) 10.484 16.201 ( -10.601 -9.474 -0.479) 14.225 17.162 ( 14.220 9.329 5.170) 17.775 17.734 ( 13.192 -17.586 -2.300) 22.104 17.986 ( -2.911 4.404 0.423) 5.296 18.105 ( 0.409 -0.047 -1.376) 1.436 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.203 7.487 13.140) 15.124 1.477 ( -7.817 1.288 6.502) 10.249 1.769 ( 15.072 -6.599 2.810) 16.692 2.031 ( 2.697 -14.983 7.852) 17.129 2.448 ( 5.891 -2.033 -3.860) 7.330 2.560 ( 0.441 -1.637 -7.108) 7.308 2.676 ( -3.296 -9.284 -0.571) 9.869 2.833 ( -7.765 -4.888 -4.725) 10.321 3.128 ( -1.574 4.274 -0.635) 4.599 3.216 ( -7.988 6.846 1.147) 10.583 3.292 ( -9.646 1.832 -4.483) 10.794 3.506 ( -12.366 -1.967 1.401) 12.600 4.046 ( 11.474 13.139 -2.624) 17.641 4.263 ( 4.470 18.183 -1.741) 18.805 4.436 ( 26.746 5.738 -6.532) 28.123 4.635 ( 15.726 14.536 -8.656) 23.098 4.840 ( 9.734 -3.590 3.738) 11.028 5.050 ( 6.307 3.951 -5.718) 9.385 5.227 ( 7.423 5.128 -7.702) 11.862 5.338 ( -10.463 -4.553 -9.729) 14.995 5.446 ( -4.413 5.446 0.374) 7.020 5.648 ( -7.127 0.989 -0.916) 7.253 5.768 ( 3.994 -4.943 5.099) 8.148 5.857 ( 3.018 -5.993 5.991) 8.995 5.951 ( -1.043 -7.638 -1.602) 7.873 6.195 ( -10.402 -4.372 4.175) 12.031 6.407 ( -18.161 -8.923 5.578) 20.989 6.478 ( -14.835 -5.714 0.962) 15.926 7.658 ( 9.447 16.823 2.811) 19.497 7.935 ( -1.582 11.823 1.709) 12.051 8.329 ( 4.286 -10.845 5.420) 12.860 8.447 ( -0.133 -8.828 6.178) 10.775 9.019 ( 6.991 6.072 -2.916) 9.708 9.328 ( -7.473 3.802 3.508) 9.089 9.422 ( 3.285 -11.309 -8.244) 14.375 9.595 ( -6.099 -7.528 -0.357) 9.695 10.950 ( 6.307 21.270 1.518) 22.237 11.261 ( -6.897 16.935 3.537) 18.625 11.666 ( 2.432 7.018 -8.569) 11.340 11.829 ( -1.529 -7.836 -3.749) 8.821 12.028 ( -1.192 -0.299 0.270) 1.258 12.175 ( -3.711 -10.512 8.792) 14.198 12.258 ( -0.948 -6.174 -8.251) 10.349 12.317 ( -4.332 -6.792 -0.531) 8.074 13.149 ( 11.846 14.197 -3.925) 18.902 13.667 ( -4.069 0.716 -8.027) 9.028 13.853 ( 12.353 -2.616 7.088) 14.480 14.006 ( 4.352 -5.333 2.602) 7.359 14.242 ( 22.840 -0.422 -4.734) 23.329 14.374 ( 3.246 -8.467 -0.311) 9.073 14.651 ( 3.410 7.871 -8.654) 12.185 15.050 ( -0.543 -8.646 -7.670) 11.570 15.193 ( 2.773 2.169 13.857) 14.297 15.382 ( 0.277 -5.083 7.114) 8.748 15.576 ( -17.748 3.513 6.354) 19.175 15.870 ( -19.114 -9.093 7.912) 22.597 17.464 ( 13.361 10.129 -0.948) 16.793 17.867 ( -4.216 5.705 -2.773) 7.616 17.974 ( 5.361 -11.182 -4.220) 13.099 18.104 ( -0.644 -2.785 -3.141) 4.247 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -4.245 5.499 9.051) 11.410 1.342 ( 4.245 5.499 9.051) 11.410 2.011 ( -6.182 -16.761 3.817) 18.268 2.011 ( 6.182 -16.761 3.817) 18.268 2.558 ( -2.615 1.763 -4.239) 5.283 2.558 ( 2.615 1.763 -4.239) 5.283 2.671 ( -4.519 -6.560 -2.270) 8.284 2.671 ( 4.519 -6.560 -2.270) 8.284 3.106 ( -0.639 4.062 0.960) 4.223 3.106 ( 0.639 4.062 0.960) 4.223 3.279 ( -7.838 0.120 0.159) 7.841 3.279 ( 7.838 0.120 0.159) 7.841 4.227 ( -5.877 18.361 -3.658) 19.623 4.227 ( 5.877 18.361 -3.658) 19.623 4.929 ( -13.577 -7.522 -9.358) 18.124 4.929 ( 13.577 -7.522 -9.358) 18.124 5.012 ( -10.690 7.260 -14.915) 19.734 5.012 ( 10.690 7.260 -14.915) 19.734 5.227 ( -18.364 13.159 3.364) 22.841 5.227 ( 18.364 13.159 3.364) 22.841 5.362 ( -5.428 3.663 -5.660) 8.655 5.362 ( 5.428 3.663 -5.660) 8.655 5.959 ( -7.154 -3.941 8.177) 11.557 5.959 ( 7.154 -3.941 8.177) 11.557 6.020 ( -14.290 -10.553 8.852) 19.848 6.020 ( 14.290 -10.553 8.852) 19.848 6.188 ( -10.549 -8.636 0.320) 13.637 6.188 ( 10.549 -8.636 0.320) 13.637 7.839 ( -7.015 15.011 3.923) 17.027 7.839 ( 7.015 15.011 3.923) 17.027 8.411 ( -3.114 -11.106 5.614) 12.829 8.411 ( 3.114 -11.106 5.614) 12.829 9.170 ( -7.249 5.403 0.337) 9.047 9.170 ( 7.249 5.403 0.337) 9.047 9.490 ( -3.737 -8.684 -4.855) 10.628 9.490 ( 3.737 -8.684 -4.855) 10.628 11.101 ( -7.734 19.606 2.869) 21.271 11.101 ( 7.734 19.606 2.869) 21.271 11.747 ( -4.785 3.445 -5.955) 8.380 11.747 ( 4.785 3.445 -5.955) 8.380 12.077 ( -4.693 -11.087 4.359) 12.804 12.077 ( 4.693 -11.087 4.359) 12.804 12.262 ( -1.245 -7.094 -3.838) 8.161 12.262 ( 1.245 -7.094 -3.838) 8.161 13.429 ( -13.945 13.011 -5.664) 19.895 13.429 ( 13.945 13.011 -5.664) 19.895 13.987 ( -5.040 -10.722 2.717) 12.156 13.987 ( 5.040 -10.722 2.717) 12.156 14.576 ( -7.614 5.716 -9.946) 13.769 14.576 ( 7.614 5.716 -9.946) 13.769 14.847 ( -19.918 -7.134 -1.029) 21.182 14.847 ( 19.918 -7.134 -1.029) 21.182 15.289 ( -6.157 0.926 7.715) 9.914 15.289 ( 6.157 0.926 7.715) 9.914 15.491 ( -12.699 -7.099 12.334) 19.073 15.491 ( 12.699 -7.099 12.334) 19.073 17.711 ( -9.654 9.129 -2.141) 13.458 17.711 ( 9.654 9.129 -2.141) 13.458 18.068 ( -2.921 -7.089 -4.840) 9.067 18.068 ( 2.921 -7.089 -4.840) 9.067 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 -14.713 -0.488) 14.721 1.454 ( 0.000 14.713 -0.488) 14.721 1.880 ( 0.000 -22.984 6.729) 23.949 1.880 ( 0.000 22.984 6.729) 23.949 2.144 ( 0.000 -1.080 2.307) 2.548 2.144 ( 0.000 1.080 2.307) 2.548 2.946 ( 0.000 -3.067 -6.203) 6.919 2.946 ( 0.000 3.067 -6.203) 6.919 3.309 ( 0.000 -9.902 2.793) 10.288 3.309 ( 0.000 9.902 2.793) 10.288 3.783 ( 0.000 -6.848 -3.707) 7.787 3.783 ( 0.000 6.848 -3.707) 7.787 3.877 ( 0.000 -2.268 0.001) 2.268 3.877 ( 0.000 2.268 0.001) 2.268 4.267 ( 0.000 -10.633 11.612) 15.745 4.267 ( 0.000 10.633 11.612) 15.745 4.640 ( 0.000 -5.228 -6.826) 8.598 4.640 ( 0.000 5.228 -6.826) 8.598 4.968 ( 0.000 -4.969 -8.973) 10.257 4.968 ( 0.000 4.969 -8.973) 10.257 5.435 ( 0.000 -13.692 1.941) 13.829 5.435 ( 0.000 13.692 1.941) 13.829 6.066 ( 0.000 -10.674 10.753) 15.152 6.066 ( 0.000 10.674 10.753) 15.152 6.645 ( 0.000 -7.198 -11.232) 13.341 6.645 ( 0.000 7.198 -11.232) 13.341 7.083 ( 0.000 -13.133 -2.837) 13.436 7.083 ( 0.000 13.133 -2.837) 13.436 7.426 ( 0.000 -5.299 -12.645) 13.710 7.426 ( 0.000 5.299 -12.645) 13.710 8.253 ( 0.000 -5.600 9.162) 10.738 8.253 ( 0.000 5.600 9.162) 10.738 8.649 ( 0.000 -0.993 -0.596) 1.158 8.649 ( 0.000 0.993 -0.596) 1.158 9.797 ( 0.000 -4.623 9.373) 10.451 9.797 ( 0.000 4.623 9.373) 10.451 11.225 ( 0.000 -24.539 -1.352) 24.577 11.225 ( 0.000 24.539 -1.352) 24.577 11.627 ( 0.000 -7.891 -2.586) 8.304 11.627 ( 0.000 7.891 -2.586) 8.304 12.257 ( 0.000 -2.677 -0.132) 2.680 12.257 ( 0.000 2.677 -0.132) 2.680 12.728 ( 0.000 -4.655 -7.453) 8.787 12.728 ( 0.000 4.655 -7.453) 8.787 12.835 ( 0.000 -19.257 4.172) 19.703 12.835 ( 0.000 19.257 4.172) 19.703 12.895 ( 0.000 -1.812 -1.489) 2.345 12.895 ( 0.000 1.812 -1.489) 2.345 14.516 ( 0.000 -8.462 -4.445) 9.559 14.516 ( 0.000 8.462 -4.445) 9.559 15.259 ( 0.000 -2.172 13.745) 13.915 15.259 ( 0.000 2.172 13.745) 13.915 15.475 ( 0.000 -4.629 -1.579) 4.891 15.475 ( 0.000 4.629 -1.579) 4.891 15.786 ( 0.000 -3.986 -28.450) 28.728 15.786 ( 0.000 3.986 -28.450) 28.728 16.992 ( 0.000 -9.173 25.598) 27.192 16.992 ( 0.000 9.173 25.598) 27.192 18.097 ( 0.000 -0.887 0.656) 1.103 18.097 ( 0.000 0.887 0.656) 1.103 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.433 ( -0.634 -12.565 0.216) 12.583 1.433 ( -0.634 12.565 0.216) 12.583 1.824 ( -3.379 -16.333 15.032) 22.453 1.824 ( -3.379 16.333 15.032) 22.453 2.255 ( 6.452 -3.171 -6.224) 9.509 2.255 ( 6.452 3.171 -6.224) 9.509 2.905 ( -4.253 -7.046 -6.708) 10.618 2.905 ( -4.253 7.046 -6.708) 10.618 3.395 ( 8.250 -10.800 0.809) 13.614 3.395 ( 8.250 10.800 0.809) 13.614 3.728 ( -5.462 -11.021 -2.634) 12.579 3.728 ( -5.462 11.021 -2.634) 12.579 3.898 ( 1.015 -6.227 0.136) 6.311 3.898 ( 1.015 6.227 0.136) 6.311 4.177 ( -3.236 -9.019 10.163) 13.967 4.177 ( -3.236 9.019 10.163) 13.967 4.730 ( 7.297 -6.352 -7.263) 12.097 4.730 ( 7.297 6.352 -7.263) 12.097 5.067 ( 7.225 -5.926 -6.636) 11.461 5.067 ( 7.225 5.926 -6.636) 11.461 5.439 ( 0.449 -12.213 1.589) 12.324 5.439 ( 0.449 12.213 1.589) 12.324 5.887 ( -12.006 -8.182 7.589) 16.392 5.887 ( -12.006 8.182 7.589) 16.392 6.614 ( -4.300 -10.538 -6.690) 13.202 6.614 ( -4.300 10.538 -6.690) 13.202 6.947 ( -11.276 -11.909 -1.965) 16.517 6.947 ( -11.276 11.909 -1.965) 16.517 7.565 ( 10.017 -9.463 -9.607) 16.798 7.565 ( 10.017 9.463 -9.607) 16.798 8.265 ( 1.105 -6.363 9.097) 11.157 8.265 ( 1.105 6.363 9.097) 11.157 8.788 ( 10.977 -4.254 -3.875) 12.393 8.788 ( 10.977 4.254 -3.875) 12.393 9.740 ( -5.031 -4.865 8.148) 10.741 9.740 ( -5.031 4.865 8.148) 10.741 11.251 ( 2.273 -23.917 -1.939) 24.103 11.251 ( 2.273 23.917 -1.939) 24.103 11.648 ( 1.543 -7.807 -0.941) 8.014 11.648 ( 1.543 7.807 -0.941) 8.014 12.242 ( -2.140 -5.167 -4.670) 7.286 12.242 ( -2.140 5.167 -4.670) 7.286 12.570 ( -9.777 -3.122 -1.882) 10.435 12.570 ( -9.777 3.122 -1.882) 10.435 12.944 ( 9.986 -9.587 -0.599) 13.856 12.944 ( 9.986 9.587 -0.599) 13.856 13.070 ( 13.040 -13.392 3.347) 18.989 13.070 ( 13.040 13.392 3.347) 18.989 14.540 ( 0.762 -6.309 -4.936) 8.046 14.540 ( 0.762 6.309 -4.936) 8.046 15.057 ( -21.981 -1.611 -7.053) 23.141 15.057 ( -21.981 1.611 -7.053) 23.141 15.264 ( 0.353 -3.737 12.751) 13.292 15.264 ( 0.353 3.737 12.751) 13.292 16.054 ( 8.171 -8.264 -14.728) 18.761 16.054 ( 8.171 8.264 -14.728) 18.761 17.101 ( 10.707 -11.521 17.155) 23.274 17.101 ( 10.707 11.521 17.155) 23.274 18.093 ( -0.452 -1.565 0.291) 1.655 18.093 ( -0.452 1.565 0.291) 1.655 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.461 ( 3.141 -4.847 2.722) 6.385 1.461 ( 3.141 4.847 2.722) 6.385 1.753 ( -3.521 -11.923 15.893) 20.178 1.753 ( -3.521 11.923 15.893) 20.178 2.347 ( 2.842 -4.874 -5.134) 7.628 2.347 ( 2.842 4.874 -5.134) 7.628 2.804 ( -4.092 -7.255 -6.123) 10.337 2.804 ( -4.092 7.255 -6.123) 10.337 3.432 ( -8.309 -4.244 -7.323) 11.861 3.432 ( -8.309 4.244 -7.323) 11.861 3.619 ( -7.417 -5.918 0.683) 9.513 3.619 ( -7.417 5.918 0.683) 9.513 3.961 ( 12.095 -5.442 -3.227) 13.649 3.961 ( 12.095 5.442 -3.227) 13.649 4.324 ( 15.562 -12.371 11.446) 22.940 4.324 ( 15.562 12.371 11.446) 22.940 4.873 ( 4.174 -8.236 -10.558) 14.026 4.873 ( 4.174 8.236 -10.558) 14.026 5.216 ( 6.633 -8.434 -4.756) 11.737 5.216 ( 6.633 8.434 -4.756) 11.737 5.469 ( 2.779 -6.415 1.023) 7.065 5.469 ( 2.779 6.415 1.023) 7.065 5.703 ( -4.072 -3.052 6.205) 8.025 5.703 ( -4.072 3.052 6.205) 8.025 6.417 ( -14.792 -6.523 -6.923) 17.586 6.417 ( -14.792 6.523 -6.923) 17.586 6.667 ( -13.775 -5.352 4.227) 15.371 6.667 ( -13.775 5.352 4.227) 15.371 7.780 ( 9.923 -12.916 -3.921) 16.753 7.780 ( 9.923 12.916 -3.921) 16.753 8.283 ( 0.025 -7.164 8.677) 11.252 8.283 ( 0.025 7.164 8.677) 11.252 9.020 ( 9.621 -9.703 -6.921) 15.317 9.020 ( 9.621 9.703 -6.921) 15.317 9.603 ( -7.324 -5.600 5.236) 10.603 9.603 ( -7.324 5.600 5.236) 10.603 11.313 ( 3.532 -22.240 -2.770) 22.689 11.313 ( 3.532 22.240 -2.770) 22.689 11.669 ( -0.056 -8.913 1.281) 9.005 11.669 ( -0.056 8.913 1.281) 9.005 12.171 ( -3.741 -6.590 -5.920) 9.616 12.171 ( -3.741 6.590 -5.920) 9.616 12.356 ( -9.944 -3.850 -0.940) 10.704 12.356 ( -9.944 3.850 -0.940) 10.704 13.208 ( 12.634 -15.981 -3.671) 20.700 13.208 ( 12.634 15.981 -3.671) 20.700 13.467 ( 24.838 -7.248 8.772) 27.320 13.467 ( 24.838 7.248 8.772) 27.320 14.402 ( -13.985 -5.397 -4.209) 15.570 14.402 ( -13.985 5.397 -4.209) 15.570 14.816 ( -0.270 -10.281 -8.317) 13.227 14.816 ( -0.270 10.281 -8.317) 13.227 15.269 ( 0.107 -5.151 11.233) 12.358 15.269 ( 0.107 5.151 11.233) 12.358 16.016 ( -10.215 -8.035 -0.592) 13.010 16.016 ( -10.215 8.035 -0.592) 13.010 17.402 ( 15.499 -14.043 2.553) 21.070 17.402 ( 15.499 14.043 2.553) 21.070 18.073 ( -1.587 -3.124 -0.707) 3.574 18.073 ( -1.587 3.124 -0.707) 3.574 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.538 ( 3.487 -7.960 5.934) 10.523 1.538 ( 3.487 7.960 5.934) 10.523 1.676 ( -3.532 -11.296 11.593) 16.567 1.676 ( -3.532 11.296 11.593) 16.567 2.427 ( 5.741 -2.509 -2.725) 6.832 2.427 ( 5.741 2.509 -2.725) 6.832 2.732 ( -3.883 -5.360 -4.273) 7.878 2.732 ( -3.883 5.360 -4.273) 7.878 3.236 ( -6.828 -4.836 -4.040) 9.292 3.236 ( -6.828 4.836 -4.040) 9.292 3.405 ( -10.622 -7.552 1.660) 13.139 3.405 ( -10.622 7.552 1.660) 13.139 4.297 ( 16.333 -9.570 -9.635) 21.242 4.297 ( 16.333 9.570 -9.635) 21.242 4.709 ( 12.631 -11.510 4.813) 17.753 4.709 ( 12.631 11.510 4.813) 17.753 4.901 ( 4.789 -12.046 -11.857) 17.568 4.901 ( 4.789 12.046 -11.857) 17.568 5.337 ( 3.392 -4.203 -6.465) 8.424 5.337 ( 3.392 4.203 -6.465) 8.424 5.524 ( 1.492 -4.951 1.347) 5.343 5.524 ( 1.492 4.951 1.347) 5.343 5.748 ( 8.034 -4.660 4.007) 10.116 5.748 ( 8.034 4.660 4.007) 10.116 6.027 ( -19.486 -10.421 -0.914) 22.116 6.027 ( -19.486 10.421 -0.914) 22.116 6.368 ( -14.749 -3.863 7.435) 16.962 6.368 ( -14.749 3.863 7.435) 16.962 7.980 ( 8.806 -12.670 1.068) 15.466 7.980 ( 8.806 12.670 1.068) 15.466 8.250 ( -3.227 -8.634 7.437) 11.844 8.250 ( -3.227 8.634 7.437) 11.844 9.186 ( 6.382 -9.958 -5.772) 13.161 9.186 ( 6.382 9.958 -5.772) 13.161 9.449 ( -6.968 -6.566 1.565) 9.701 9.449 ( -6.968 6.566 1.565) 9.701 11.403 ( 5.003 -20.187 -1.967) 20.891 11.403 ( 5.003 20.187 -1.967) 20.891 11.632 ( -3.628 -13.029 1.733) 13.635 11.632 ( -3.628 13.029 1.733) 13.635 12.108 ( -1.865 -6.658 -3.703) 7.843 12.108 ( -1.865 6.658 -3.703) 7.843 12.177 ( -6.260 -6.095 -1.755) 8.912 12.177 ( -6.260 6.095 -1.755) 8.912 13.465 ( 11.825 -15.782 -2.269) 19.850 13.465 ( 11.825 15.782 -2.269) 19.850 13.913 ( 1.707 -6.145 4.606) 7.867 13.913 ( 1.707 6.145 4.606) 7.867 14.248 ( 14.020 -2.723 -3.727) 14.760 14.248 ( 14.020 2.723 -3.727) 14.760 14.849 ( 0.392 -10.306 -9.041) 13.715 14.849 ( 0.392 10.306 -9.041) 13.715 15.272 ( 0.636 -5.070 9.863) 11.108 15.272 ( 0.636 5.070 9.863) 11.108 15.693 ( -18.473 -7.608 7.588) 21.370 15.693 ( -18.473 7.608 7.588) 21.370 17.698 ( 11.860 -12.309 -2.778) 17.317 17.698 ( 11.860 12.309 -2.778) 17.317 18.017 ( -3.840 -5.565 -2.049) 7.065 18.017 ( -3.840 5.565 -2.049) 7.065 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -1.959 -18.899 8.513) 20.820 1.606 ( 1.616 -18.891 8.513) 20.783 1.606 ( -1.616 18.891 8.513) 20.783 1.606 ( 1.959 18.899 8.513) 20.820 2.592 ( -8.436 -1.863 -3.791) 9.435 2.592 ( -7.687 0.669 -3.791) 8.597 2.592 ( 7.687 -0.669 -3.791) 8.597 2.592 ( 8.436 1.863 -3.791) 9.435 3.222 ( -5.232 -5.391 0.775) 7.552 3.222 ( 4.884 -5.309 0.775) 7.255 3.222 ( -4.884 5.309 0.775) 7.255 3.222 ( 5.232 5.391 0.775) 7.552 4.609 ( -9.562 -17.779 -9.115) 22.150 4.609 ( 4.229 -17.254 -9.115) 19.967 4.609 ( -4.229 17.254 -9.115) 19.967 4.609 ( 9.562 17.779 -9.115) 22.150 5.243 ( -12.492 -8.514 -10.183) 18.227 5.243 ( -3.275 -6.012 -10.183) 12.270 5.243 ( 3.275 6.012 -10.183) 12.270 5.243 ( 12.492 8.514 -10.183) 18.227 5.627 ( -9.227 -17.950 3.418) 20.470 5.627 ( 6.145 -17.617 3.418) 18.969 5.627 ( -6.145 17.617 3.418) 18.969 5.627 ( 9.227 17.950 3.418) 20.470 6.048 ( -14.510 -4.874 8.440) 17.480 6.048 ( -12.106 2.785 8.440) 15.018 6.048 ( 12.106 -2.785 8.440) 15.018 6.048 ( 14.510 4.874 8.440) 17.480 8.146 ( -5.395 -14.265 4.866) 16.008 8.146 ( 4.013 -14.150 4.866) 15.493 8.146 ( -4.013 14.150 4.866) 15.493 8.146 ( 5.395 14.265 4.866) 16.008 9.312 ( -5.881 -8.151 -2.368) 10.327 9.312 ( 5.667 -8.113 -2.368) 10.175 9.312 ( -5.667 8.113 -2.368) 10.175 9.312 ( 5.881 8.151 -2.368) 10.327 11.523 ( -5.412 -19.885 0.269) 20.610 11.523 ( 4.986 -19.857 0.269) 20.475 11.523 ( -4.986 19.857 0.269) 20.475 11.523 ( 5.412 19.885 0.269) 20.610 12.099 ( -1.162 -8.195 -2.610) 8.679 12.099 ( 1.120 -8.194 -2.610) 8.672 12.099 ( -1.120 8.194 -2.610) 8.672 12.099 ( 1.162 8.195 -2.610) 8.679 13.717 ( -10.941 -14.335 -0.654) 18.045 13.717 ( 7.556 -13.778 -0.654) 15.728 13.717 ( -7.556 13.778 -0.654) 15.728 13.717 ( 10.941 14.335 -0.654) 18.045 14.705 ( -16.475 -6.537 -6.771) 18.974 14.705 ( -10.429 1.440 -6.771) 12.518 14.705 ( 10.429 -1.440 -6.771) 12.518 14.705 ( 16.475 6.537 -6.771) 18.974 15.356 ( -9.700 -5.414 11.159) 15.746 15.356 ( 4.723 -3.372 11.159) 12.578 15.356 ( -4.723 3.372 11.159) 12.578 15.356 ( 9.700 5.414 11.159) 15.746 17.901 ( -7.275 -9.006 -3.176) 12.005 17.901 ( 6.957 -8.943 -3.176) 11.767 17.901 ( -6.957 8.943 -3.176) 11.767 17.901 ( 7.275 9.006 -3.176) 12.005 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 0.000 17.934) 17.934 1.052 ( 0.000 0.000 25.109) 25.109 1.668 ( 0.000 0.000 -0.586) 0.586 2.144 ( 0.000 0.000 46.784) 46.784 2.309 ( 0.000 0.000 -0.720) 0.720 2.416 ( 0.000 0.000 -8.835) 8.835 2.563 ( 0.000 0.000 -15.282) 15.282 2.924 ( 0.000 0.000 0.885) 0.885 3.029 ( 0.000 0.000 -6.436) 6.436 3.164 ( 0.000 0.000 -10.796) 10.796 3.297 ( 0.000 0.000 1.481) 1.481 3.404 ( 0.000 0.000 -1.573) 1.573 3.461 ( 0.000 0.000 -5.332) 5.332 3.854 ( 0.000 0.000 11.549) 11.549 4.265 ( 0.000 0.000 9.241) 9.241 4.558 ( 0.000 0.000 -2.838) 2.838 4.711 ( 0.000 0.000 -3.679) 3.679 4.724 ( 0.000 0.000 -2.638) 2.638 4.973 ( 0.000 0.000 11.358) 11.358 5.286 ( 0.000 0.000 -0.075) 0.075 5.409 ( 0.000 0.000 -0.542) 0.542 5.581 ( 0.000 0.000 -3.782) 3.782 6.208 ( 0.000 0.000 2.591) 2.591 6.370 ( 0.000 0.000 6.575) 6.575 6.414 ( 0.000 0.000 -14.188) 14.188 6.420 ( 0.000 0.000 -15.195) 15.195 6.731 ( 0.000 0.000 -10.403) 10.403 7.174 ( 0.000 0.000 -22.289) 22.289 7.218 ( 0.000 0.000 -7.659) 7.659 7.368 ( 0.000 0.000 -1.171) 1.171 8.206 ( 0.000 0.000 -4.167) 4.167 8.356 ( 0.000 0.000 -6.929) 6.929 8.781 ( 0.000 0.000 8.020) 8.020 9.080 ( 0.000 0.000 7.054) 7.054 9.924 ( 0.000 0.000 13.468) 13.468 10.251 ( 0.000 0.000 5.859) 5.859 10.258 ( 0.000 0.000 5.855) 5.855 10.865 ( 0.000 0.000 -4.288) 4.288 11.239 ( 0.000 0.000 2.361) 2.361 11.964 ( 0.000 0.000 14.087) 14.087 12.178 ( 0.000 0.000 -9.644) 9.644 12.266 ( 0.000 0.000 -5.727) 5.727 12.284 ( 0.000 0.000 -12.039) 12.039 12.570 ( 0.000 0.000 -16.396) 16.396 12.652 ( 0.000 0.000 21.983) 21.983 12.836 ( 0.000 0.000 18.608) 18.608 13.087 ( 0.000 0.000 -16.251) 16.251 13.807 ( 0.000 0.000 -4.401) 4.401 14.436 ( 0.000 0.000 -4.441) 4.441 14.854 ( 0.000 0.000 -2.378) 2.378 15.046 ( 0.000 0.000 -24.532) 24.532 15.133 ( 0.000 0.000 -8.719) 8.719 15.175 ( 0.000 0.000 7.425) 7.425 15.395 ( 0.000 0.000 -4.206) 4.206 15.786 ( 0.000 0.000 7.139) 7.139 15.798 ( 0.000 0.000 11.153) 11.153 17.208 ( 0.000 0.000 18.977) 18.977 17.894 ( 0.000 0.000 -0.135) 0.135 17.999 ( 0.000 0.000 0.217) 0.217 18.264 ( 0.000 0.000 -2.741) 2.741 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.072 ( 11.341 0.000 13.386) 17.544 1.260 ( 15.775 0.000 20.408) 25.794 1.657 ( -1.834 0.000 -4.645) 4.993 2.279 ( -0.118 0.000 6.149) 6.150 2.314 ( 11.560 0.000 22.768) 25.534 2.461 ( 1.004 0.000 -10.692) 10.739 2.626 ( 8.368 0.000 3.242) 8.974 2.867 ( -2.074 0.000 -7.397) 7.682 3.092 ( -0.110 0.000 2.837) 2.839 3.169 ( 2.906 0.000 -7.840) 8.361 3.288 ( -0.434 0.000 -0.720) 0.841 3.361 ( -1.175 0.000 -7.509) 7.600 3.468 ( 0.527 0.000 -1.890) 1.962 3.724 ( -6.989 0.000 6.018) 9.223 4.400 ( -11.794 0.000 0.153) 11.795 4.462 ( 14.104 0.000 11.771) 18.370 4.490 ( -16.402 0.000 -0.533) 16.411 4.711 ( -0.559 0.000 -3.045) 3.095 5.062 ( 5.720 0.000 6.466) 8.633 5.204 ( -7.226 0.000 1.226) 7.329 5.492 ( 7.151 0.000 -1.668) 7.343 5.694 ( 6.970 0.000 -5.296) 8.754 6.089 ( -15.372 0.000 -9.017) 17.822 6.196 ( -4.283 0.000 -3.019) 5.240 6.373 ( -3.373 0.000 -8.940) 9.555 6.644 ( 14.347 0.000 5.766) 15.462 6.660 ( -6.209 0.000 -5.571) 8.341 6.977 ( -10.164 0.000 -8.934) 13.532 7.205 ( -6.557 0.000 -14.284) 15.717 7.469 ( 7.688 0.000 -0.486) 7.704 8.251 ( 6.222 0.000 -2.882) 6.858 8.452 ( 3.253 0.000 -0.662) 3.320 8.729 ( 2.798 0.000 0.591) 2.860 9.321 ( 12.929 0.000 -4.100) 13.564 9.859 ( -6.037 0.000 12.862) 14.208 10.174 ( -7.390 0.000 3.653) 8.244 10.287 ( 3.358 0.000 6.069) 6.936 10.903 ( 3.381 0.000 -3.164) 4.631 11.267 ( 1.948 0.000 3.058) 3.626 11.896 ( -4.023 0.000 9.764) 10.561 12.130 ( -4.365 0.000 -9.045) 10.043 12.214 ( -5.732 0.000 -10.843) 12.265 12.239 ( 0.460 0.000 -1.319) 1.397 12.608 ( 3.669 0.000 -12.013) 12.561 12.865 ( 13.063 0.000 18.541) 22.681 13.072 ( 19.426 0.000 17.203) 25.948 13.088 ( 2.939 0.000 -19.810) 20.027 13.764 ( -4.865 0.000 -8.859) 10.107 14.423 ( -1.489 0.000 -4.422) 4.666 14.713 ( -14.418 0.000 15.690) 21.309 14.768 ( -10.442 0.000 -9.203) 13.919 14.996 ( -1.736 0.000 -5.339) 5.614 15.454 ( 15.127 0.000 -15.723) 21.818 15.509 ( 0.155 0.000 5.611) 5.614 15.563 ( -1.054 0.000 15.478) 15.513 16.229 ( 16.786 0.000 -8.884) 18.992 17.185 ( -1.769 0.000 17.101) 17.192 17.864 ( -2.811 0.000 -0.540) 2.862 18.000 ( 0.135 0.000 -0.673) 0.686 18.211 ( -4.204 0.000 -5.162) 6.657 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 6.032 0.000 2.554) 6.550 1.553 ( -7.825 0.000 -8.443) 11.512 1.610 ( 16.425 0.000 15.674) 22.704 2.342 ( 4.183 0.000 12.319) 13.010 2.406 ( -0.457 0.000 -7.813) 7.827 2.444 ( 1.275 0.000 -6.610) 6.732 2.810 ( -0.595 0.000 -4.198) 4.240 2.946 ( -1.806 0.000 -5.290) 5.589 3.040 ( 7.968 0.000 14.994) 16.980 3.241 ( -4.685 0.000 -1.534) 4.930 3.357 ( 13.482 0.000 -3.278) 13.875 3.442 ( 12.839 0.000 -1.529) 12.930 3.479 ( -1.361 0.000 0.594) 1.485 3.714 ( 8.479 0.000 -1.507) 8.612 4.100 ( -18.370 0.000 -1.699) 18.448 4.181 ( -8.025 0.000 -0.171) 8.027 4.647 ( 1.019 0.000 0.171) 1.034 4.845 ( 13.118 0.000 6.036) 14.440 5.016 ( -8.179 0.000 2.539) 8.564 5.198 ( 7.620 0.000 6.556) 10.053 5.623 ( 2.169 0.000 -3.217) 3.880 5.694 ( -19.889 0.000 -10.034) 22.276 5.805 ( 4.009 0.000 -8.421) 9.326 6.097 ( -6.159 0.000 -5.787) 8.451 6.323 ( -0.539 0.000 -1.208) 1.323 6.519 ( -6.312 0.000 1.298) 6.444 6.770 ( -9.982 0.000 -6.776) 12.065 6.968 ( -14.393 0.000 -8.753) 16.846 6.985 ( 16.718 0.000 9.891) 19.425 7.618 ( 5.173 0.000 1.631) 5.424 8.399 ( 5.806 0.000 -5.192) 7.789 8.561 ( 10.227 0.000 8.023) 12.998 8.870 ( 7.410 0.000 -1.237) 7.513 9.476 ( 1.637 0.000 -9.470) 9.611 9.676 ( -10.624 0.000 10.857) 15.190 9.976 ( -10.603 0.000 -0.768) 10.631 10.390 ( 6.212 0.000 6.457) 8.960 10.984 ( 2.816 0.000 -0.321) 2.834 11.281 ( -0.407 0.000 5.839) 5.853 11.865 ( -0.500 0.000 2.510) 2.560 12.068 ( -0.576 0.000 -6.955) 6.979 12.103 ( -1.368 0.000 -12.713) 12.786 12.279 ( 2.468 0.000 -2.476) 3.496 12.678 ( 2.202 0.000 -7.388) 7.709 12.891 ( -5.775 0.000 1.311) 5.922 13.437 ( -2.288 0.000 -11.813) 12.032 13.442 ( 24.214 0.000 -4.485) 24.626 13.680 ( 12.219 0.000 8.051) 14.633 14.385 ( -1.245 0.000 -0.789) 1.474 14.472 ( -6.728 0.000 17.695) 18.930 14.684 ( 2.060 0.000 0.664) 2.164 15.037 ( 3.925 0.000 -7.583) 8.539 15.455 ( -1.503 0.000 13.302) 13.387 15.616 ( 2.396 0.000 8.110) 8.456 15.680 ( 4.660 0.000 -8.365) 9.576 16.406 ( -0.046 0.000 -4.221) 4.221 17.163 ( 0.716 0.000 10.384) 10.409 17.774 ( -5.672 0.000 -1.636) 5.904 18.006 ( 0.440 0.000 -3.364) 3.393 18.121 ( -3.710 0.000 -10.334) 10.980 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.275 ( -4.884 0.000 -10.443) 11.529 1.369 ( -8.631 0.000 -6.725) 10.942 1.950 ( 15.503 0.000 10.410) 18.674 2.386 ( -1.887 0.000 -5.284) 5.611 2.425 ( 6.446 0.000 4.540) 7.884 2.585 ( 6.736 0.000 3.383) 7.537 2.721 ( -5.130 0.000 -2.248) 5.601 2.838 ( -5.793 0.000 -9.084) 10.774 3.142 ( -2.518 0.000 4.217) 4.911 3.173 ( 5.331 0.000 -0.165) 5.333 3.384 ( -6.965 0.000 3.790) 7.929 3.471 ( -1.415 0.000 -8.217) 8.337 3.779 ( -7.045 0.000 1.972) 7.316 3.876 ( 4.394 0.000 5.796) 7.273 4.022 ( 17.881 0.000 -9.856) 20.417 4.240 ( 24.750 0.000 -0.997) 24.770 4.646 ( -3.476 0.000 -8.312) 9.010 4.777 ( -5.377 0.000 1.951) 5.720 5.114 ( -4.334 0.000 4.120) 5.980 5.354 ( -1.866 0.000 8.022) 8.236 5.391 ( 2.342 0.000 -3.963) 4.603 5.536 ( -1.707 0.000 -8.584) 8.753 5.880 ( 1.254 0.000 -7.959) 8.057 5.920 ( -10.521 0.000 -3.054) 10.955 6.340 ( -0.822 0.000 0.733) 1.101 6.398 ( -2.826 0.000 -0.791) 2.934 6.561 ( -8.729 0.000 -0.361) 8.737 6.674 ( -11.192 0.000 -0.923) 11.230 7.318 ( 13.986 0.000 9.430) 16.868 7.662 ( -1.352 0.000 4.545) 4.742 8.554 ( 9.504 0.000 1.276) 9.589 8.798 ( 8.490 0.000 8.046) 11.697 8.994 ( 4.725 0.000 1.888) 5.088 9.372 ( -10.785 0.000 2.934) 11.177 9.519 ( -1.705 0.000 -5.445) 5.706 9.748 ( -10.392 0.000 -3.280) 10.898 10.547 ( 8.563 0.000 6.654) 10.845 10.938 ( -7.174 0.000 5.173) 8.845 11.343 ( 7.056 0.000 2.560) 7.506 11.745 ( -9.228 0.000 0.811) 9.264 12.108 ( 4.106 0.000 -7.328) 8.400 12.280 ( 15.513 0.000 -17.202) 23.164 12.304 ( -1.089 0.000 -5.597) 5.702 12.694 ( -0.303 0.000 -1.700) 1.727 12.762 ( -4.842 0.000 1.716) 5.137 13.105 ( -20.083 0.000 -22.710) 30.316 13.932 ( 19.991 0.000 -4.486) 20.488 14.093 ( 16.435 0.000 9.097) 18.785 14.368 ( -1.098 0.000 1.641) 1.974 14.383 ( -3.615 0.000 8.106) 8.876 14.854 ( 14.596 0.000 8.210) 16.747 15.150 ( 6.756 0.000 -4.913) 8.353 15.421 ( -3.110 0.000 5.450) 6.275 15.611 ( -11.078 0.000 3.623) 11.655 15.704 ( 7.658 0.000 13.284) 15.333 16.264 ( -12.077 0.000 6.166) 13.560 17.246 ( 7.006 0.000 1.172) 7.103 17.625 ( -8.296 0.000 -2.926) 8.797 18.018 ( 0.656 0.000 -7.146) 7.176 18.063 ( -1.882 0.000 -12.772) 12.910 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -2.641 0.000 -10.711) 11.032 1.232 ( 2.641 0.000 -10.711) 11.032 2.247 ( -11.493 0.000 4.134) 12.214 2.247 ( 11.493 0.000 4.134) 12.214 2.585 ( -6.292 0.000 2.387) 6.730 2.585 ( 6.292 0.000 2.387) 6.730 2.713 ( -4.497 0.000 -7.534) 8.775 2.713 ( 4.497 0.000 -7.534) 8.775 3.211 ( -8.007 0.000 7.395) 10.899 3.211 ( 8.007 0.000 7.395) 10.899 3.320 ( -8.612 0.000 -4.125) 9.549 3.320 ( 8.612 0.000 -4.125) 9.549 3.803 ( -5.358 0.000 0.888) 5.432 3.803 ( 5.358 0.000 0.888) 5.432 4.400 ( -16.336 0.000 -13.330) 21.085 4.400 ( 16.336 0.000 -13.330) 21.085 4.863 ( -10.412 0.000 1.340) 10.498 4.863 ( 10.412 0.000 1.340) 10.498 4.908 ( -30.466 0.000 -0.815) 30.476 4.908 ( 30.466 0.000 -0.815) 30.476 5.654 ( -14.230 0.000 0.435) 14.236 5.654 ( 14.230 0.000 0.435) 14.236 5.757 ( -12.315 0.000 -2.104) 12.494 5.757 ( 12.315 0.000 -2.104) 12.494 6.338 ( -4.304 0.000 -6.364) 7.682 6.338 ( 4.304 0.000 -6.364) 7.682 6.517 ( -4.394 0.000 6.385) 7.751 6.517 ( 4.394 0.000 6.385) 7.751 7.558 ( -8.329 0.000 7.379) 11.127 7.558 ( 8.329 0.000 7.379) 11.127 8.771 ( -9.072 0.000 7.502) 11.772 8.771 ( 9.072 0.000 7.502) 11.772 9.154 ( -9.529 0.000 2.132) 9.764 9.154 ( 9.529 0.000 2.132) 9.764 9.564 ( -5.960 0.000 -5.735) 8.272 9.564 ( 5.960 0.000 -5.735) 8.272 10.746 ( -9.814 0.000 6.565) 11.807 10.746 ( 9.814 0.000 6.565) 11.807 11.534 ( -10.058 0.000 1.010) 10.108 11.534 ( 10.058 0.000 1.010) 10.108 12.222 ( -5.762 0.000 -7.646) 9.574 12.222 ( 5.762 0.000 -7.646) 9.574 12.670 ( -20.159 0.000 -20.601) 28.823 12.670 ( 20.159 0.000 -20.601) 28.823 12.700 ( -1.434 0.000 1.987) 2.451 12.700 ( 1.434 0.000 1.987) 2.451 14.250 ( -9.983 0.000 -1.262) 10.062 14.250 ( 9.983 0.000 -1.262) 10.062 14.309 ( -5.222 0.000 3.007) 6.026 14.309 ( 5.222 0.000 3.007) 6.026 15.257 ( -20.407 0.000 10.624) 23.007 15.257 ( 20.407 0.000 10.624) 23.007 15.307 ( -7.161 0.000 -0.785) 7.204 15.307 ( 7.161 0.000 -0.785) 7.204 15.958 ( -15.009 0.000 13.240) 20.015 15.958 ( 15.009 0.000 13.240) 20.015 17.431 ( -9.564 0.000 -2.999) 10.023 17.431 ( 9.564 0.000 -2.999) 10.023 18.034 ( -0.947 0.000 -10.932) 10.973 18.034 ( 0.947 0.000 -10.932) 10.973 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 10.779 17.486) 20.541 1.194 ( 0.000 13.051 20.517) 24.316 1.685 ( 0.000 0.539 -2.960) 3.009 2.191 ( 0.000 2.271 20.805) 20.929 2.360 ( 0.000 -0.329 2.964) 2.982 2.445 ( 0.000 3.866 6.794) 7.817 2.506 ( 0.000 0.765 -10.569) 10.596 2.976 ( 0.000 6.396 -6.357) 9.018 3.088 ( 0.000 -5.332 -9.196) 10.630 3.155 ( 0.000 9.319 -5.550) 10.846 3.220 ( 0.000 -8.371 3.352) 9.017 3.608 ( 0.000 10.718 -4.084) 11.470 3.628 ( 0.000 22.136 -8.629) 23.759 3.937 ( 0.000 5.580 10.808) 12.163 4.278 ( 0.000 -0.748 8.520) 8.553 4.445 ( 0.000 -13.950 0.510) 13.960 4.489 ( 0.000 -4.498 -3.016) 5.416 4.741 ( 0.000 1.113 -2.579) 2.809 4.911 ( 0.000 -4.851 12.287) 13.210 5.346 ( 0.000 -5.438 -0.255) 5.444 5.416 ( 0.000 -4.938 -5.682) 7.528 5.733 ( 0.000 19.690 -8.316) 21.374 6.064 ( 0.000 -16.868 -7.335) 18.394 6.195 ( 0.000 -3.386 9.468) 10.056 6.453 ( 0.000 9.722 -2.735) 10.099 6.697 ( 0.000 -3.234 -10.163) 10.665 6.725 ( 0.000 12.623 -15.826) 20.244 6.973 ( 0.000 -17.705 -3.393) 18.027 7.179 ( 0.000 0.325 -20.404) 20.407 7.389 ( 0.000 -2.045 -3.539) 4.087 8.216 ( 0.000 1.057 -3.109) 3.284 8.347 ( 0.000 -0.811 -6.629) 6.678 8.776 ( 0.000 -0.395 8.851) 8.860 8.982 ( 0.000 -7.233 11.115) 13.261 9.926 ( 0.000 0.398 13.068) 13.074 10.208 ( 0.000 -4.270 7.628) 8.742 10.395 ( 0.000 13.358 5.030) 14.274 11.077 ( 0.000 16.453 -10.413) 19.471 11.299 ( 0.000 5.469 1.754) 5.744 11.988 ( 0.000 -1.176 2.186) 2.482 12.168 ( 0.000 3.390 0.354) 3.408 12.238 ( 0.000 -6.626 -6.858) 9.536 12.265 ( 0.000 -0.331 -6.210) 6.218 12.542 ( 0.000 -2.054 -15.194) 15.332 12.696 ( 0.000 5.232 19.150) 19.852 12.860 ( 0.000 1.909 16.592) 16.701 13.010 ( 0.000 -6.196 -14.932) 16.166 13.729 ( 0.000 -7.936 -0.709) 7.968 14.382 ( 0.000 -3.550 -0.980) 3.683 14.753 ( 0.000 -8.649 -6.413) 10.767 15.067 ( 0.000 2.140 -22.260) 22.362 15.137 ( 0.000 1.835 -6.497) 6.751 15.283 ( 0.000 6.866 -2.640) 7.356 15.394 ( 0.000 -0.568 -4.689) 4.723 15.731 ( 0.000 -4.665 8.228) 9.459 15.785 ( 0.000 -1.269 11.686) 11.755 17.218 ( 0.000 1.248 18.478) 18.520 17.864 ( 0.000 -5.745 1.258) 5.881 18.032 ( 0.000 2.829 0.333) 2.848 18.126 ( 0.000 -7.506 4.504) 8.754 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 10.621 8.457 14.352) 19.756 1.377 ( 12.891 10.133 17.595) 24.051 1.674 ( -0.716 1.625 -2.981) 3.469 2.236 ( -0.879 -1.131 12.532) 12.614 2.355 ( 2.508 0.938 4.689) 5.400 2.361 ( -2.284 -6.636 -9.868) 12.109 2.726 ( 14.748 4.764 1.847) 15.608 2.956 ( -1.607 5.085 -5.494) 7.656 3.083 ( -2.698 3.130 6.505) 7.707 3.180 ( 4.229 1.080 -7.702) 8.853 3.220 ( 0.885 -4.945 -5.053) 7.126 3.510 ( -4.734 15.702 -5.682) 17.357 3.683 ( 2.406 16.169 -3.382) 16.693 3.797 ( -8.680 5.933 7.347) 12.827 4.269 ( -5.895 -9.805 -0.072) 11.440 4.367 ( -10.743 -8.194 -1.238) 13.568 4.519 ( 9.977 3.866 8.656) 13.763 4.767 ( 1.871 3.465 -2.340) 4.581 4.895 ( -0.044 -5.800 10.052) 11.605 5.402 ( 0.252 -2.733 -7.122) 7.633 5.440 ( 4.363 -0.126 0.596) 4.405 5.719 ( 1.097 6.122 -5.087) 8.035 6.001 ( -6.630 -12.855 -7.997) 16.528 6.151 ( -7.751 -1.317 -2.031) 8.120 6.320 ( -7.102 2.096 -0.982) 7.469 6.578 ( -4.487 -5.211 1.590) 7.058 6.866 ( 6.724 8.353 -8.305) 13.563 6.889 ( -2.525 -2.044 -7.111) 7.818 7.170 ( -6.815 -3.005 -12.712) 14.734 7.502 ( 10.443 1.568 -4.052) 11.310 8.259 ( 5.884 0.837 -2.013) 6.275 8.440 ( 3.662 -1.152 -1.003) 3.968 8.728 ( 1.833 0.065 1.994) 2.709 9.186 ( 11.840 -10.703 1.893) 16.073 9.855 ( -6.522 -0.018 12.344) 13.961 10.121 ( -7.624 -4.402 5.775) 10.529 10.431 ( 3.221 13.170 5.058) 14.470 11.101 ( 2.042 15.812 -8.248) 17.951 11.325 ( 1.693 5.162 2.419) 5.946 11.967 ( -2.651 4.735 6.165) 8.212 12.065 ( -4.314 -6.067 -7.426) 10.515 12.145 ( -4.386 -2.471 -7.178) 8.767 12.302 ( -1.397 2.829 -3.411) 4.646 12.565 ( 3.685 -3.851 -10.099) 11.420 12.854 ( 5.141 -1.665 11.613) 12.809 13.024 ( 13.370 -0.821 -3.548) 13.858 13.114 ( 15.562 0.656 6.545) 16.895 13.725 ( -1.136 -4.488 -3.742) 5.953 14.372 ( -1.210 -3.182 -2.845) 4.436 14.631 ( -9.981 -6.756 -3.244) 12.481 14.827 ( -14.230 3.673 0.374) 14.701 14.980 ( -5.214 -1.225 -4.903) 7.261 15.422 ( 10.589 -1.140 -10.229) 14.767 15.517 ( -3.011 -0.366 9.002) 9.499 15.617 ( 6.486 4.387 6.317) 10.061 16.162 ( 16.048 -6.083 -7.974) 18.924 17.199 ( -1.410 1.557 16.488) 16.621 17.848 ( -1.412 -4.185 -0.720) 4.475 18.029 ( -0.319 2.111 -0.176) 2.143 18.095 ( -2.599 -6.325 1.395) 6.979 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 4.193 8.464 5.293) 10.828 1.558 ( 1.412 2.343 3.842) 4.716 1.738 ( 9.518 7.867 9.233) 15.418 2.190 ( 0.829 -7.578 7.519) 10.708 2.318 ( -1.156 -6.875 -7.761) 10.432 2.457 ( 4.867 -1.073 -1.992) 5.367 2.861 ( -1.912 -0.665 -9.611) 9.822 2.900 ( -5.269 -3.284 -3.467) 7.111 3.114 ( -0.393 4.750 5.243) 7.086 3.262 ( 0.144 2.921 -3.061) 4.233 3.309 ( 6.846 -5.180 -1.985) 8.811 3.518 ( 11.539 16.076 6.154) 20.724 3.685 ( -0.968 8.419 -2.080) 8.726 3.766 ( 6.778 5.836 -0.302) 8.949 4.084 ( -10.453 1.868 -0.300) 10.622 4.147 ( -5.233 -2.512 -3.370) 6.712 4.715 ( 4.899 5.692 2.518) 7.921 4.887 ( 6.568 2.879 2.952) 7.755 4.902 ( 4.535 -4.159 4.981) 7.917 5.327 ( -3.827 3.767 -6.226) 8.222 5.564 ( 1.399 -3.571 0.338) 3.850 5.719 ( -12.202 -1.086 -10.331) 16.025 5.801 ( 2.316 0.352 -4.027) 4.659 5.990 ( -6.326 -7.451 -3.318) 10.322 6.221 ( -2.181 -7.130 1.849) 7.681 6.495 ( -4.250 -3.033 2.262) 5.690 6.737 ( -8.368 -2.585 -5.192) 10.181 6.916 ( -13.747 -3.811 -7.647) 16.186 7.154 ( 13.801 13.293 5.217) 19.859 7.698 ( 6.568 6.367 -0.812) 9.184 8.419 ( 5.812 1.788 -4.835) 7.769 8.520 ( 8.451 -3.664 8.808) 12.745 8.851 ( 7.041 -1.603 -0.750) 7.260 9.361 ( 4.290 -10.400 -7.420) 13.477 9.660 ( -11.355 -0.583 10.566) 15.521 9.919 ( -10.613 -4.650 1.525) 11.687 10.527 ( 5.811 12.705 5.490) 15.011 11.143 ( 0.690 13.698 -1.921) 13.850 11.338 ( 0.020 5.020 3.360) 6.040 11.909 ( -3.596 2.495 0.602) 4.418 12.025 ( 0.765 -4.018 -5.571) 6.911 12.082 ( -0.456 -1.693 -12.505) 12.628 12.280 ( 0.309 0.336 -2.302) 2.347 12.656 ( 3.858 -3.250 -5.539) 7.492 12.809 ( -5.467 -4.996 -1.282) 7.516 13.431 ( 11.102 -0.246 -11.755) 16.171 13.496 ( 16.689 3.690 2.743) 17.311 13.719 ( 10.176 3.414 6.851) 12.733 14.316 ( -2.753 -5.972 -2.643) 7.087 14.506 ( -3.337 1.996 14.412) 14.927 14.595 ( -2.668 -6.952 -0.585) 7.469 15.001 ( 3.621 -3.500 -6.433) 8.170 15.451 ( -1.965 -0.435 11.837) 12.007 15.552 ( 2.873 -3.251 2.461) 4.988 15.753 ( 2.542 4.338 -1.519) 5.252 16.332 ( -0.203 -6.707 -3.926) 7.774 17.192 ( 1.860 3.013 9.515) 10.152 17.800 ( -3.523 0.924 -3.283) 4.903 18.015 ( -1.062 -3.301 -3.718) 5.084 18.043 ( -1.523 -1.561 -4.319) 4.838 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -4.177 6.720 -1.768) 8.108 1.472 ( -7.950 8.604 -1.040) 11.761 2.008 ( 13.785 2.252 9.773) 17.047 2.280 ( 3.244 -5.352 3.046) 6.960 2.359 ( 6.683 -5.183 -5.141) 9.897 2.556 ( 2.838 -4.440 0.884) 5.343 2.759 ( -4.962 0.140 0.396) 4.980 2.799 ( -4.389 -3.027 -8.917) 10.390 3.117 ( 2.422 -1.224 -1.418) 3.062 3.162 ( -5.567 1.828 2.293) 6.292 3.312 ( -3.690 -8.048 -0.321) 8.860 3.487 ( -12.236 1.750 -2.912) 12.699 3.822 ( 5.840 4.447 -0.258) 7.345 3.983 ( -2.882 8.524 2.252) 9.276 4.114 ( 17.520 9.036 -7.356) 21.041 4.277 ( 25.269 5.056 -3.078) 25.953 4.781 ( 0.355 10.958 -5.894) 12.447 4.834 ( -3.318 5.336 -0.542) 6.307 5.102 ( -1.550 -2.502 -0.951) 3.093 5.225 ( -3.948 -9.233 -8.089) 12.894 5.425 ( -2.164 0.953 3.623) 4.327 5.553 ( -10.990 2.844 -3.264) 11.812 5.846 ( 0.047 -2.913 -4.429) 5.301 5.951 ( 5.781 2.090 -2.194) 6.527 6.247 ( 3.910 -10.776 1.700) 11.589 6.389 ( -6.178 -0.314 4.440) 7.615 6.538 ( -9.796 -1.889 0.584) 9.994 6.606 ( -13.130 -5.144 -0.514) 14.111 7.448 ( 12.654 11.571 7.390) 18.671 7.759 ( -0.869 8.869 3.404) 9.540 8.547 ( 7.822 -1.323 2.440) 8.300 8.737 ( 7.770 -5.635 7.882) 12.420 8.976 ( 5.263 -1.394 1.658) 5.692 9.365 ( -7.969 -1.505 -2.400) 8.457 9.444 ( -2.551 -5.747 -1.107) 6.385 9.694 ( -10.127 -4.570 -2.036) 11.296 10.676 ( 8.188 12.026 6.021) 15.746 11.063 ( -7.812 11.307 5.311) 14.734 11.405 ( 6.520 5.638 -0.100) 8.621 11.769 ( -8.616 1.848 -0.727) 8.842 12.064 ( 3.198 -4.120 -8.444) 9.924 12.174 ( 4.672 -7.159 -11.413) 14.260 12.309 ( 3.706 -2.346 -5.797) 7.270 12.628 ( -6.684 -11.053 0.401) 12.923 12.785 ( 4.588 8.929 -4.924) 11.182 13.233 ( -14.917 10.162 -18.467) 25.823 13.973 ( 20.443 3.966 -1.893) 20.910 14.075 ( 13.443 -2.705 5.477) 14.766 14.284 ( -1.347 -7.341 1.727) 7.661 14.431 ( -2.947 4.329 6.512) 8.356 14.747 ( 15.339 -9.591 8.092) 19.818 15.100 ( 5.418 -4.883 -3.697) 8.178 15.411 ( -2.650 -0.828 5.631) 6.278 15.585 ( -4.077 -1.560 5.151) 6.752 15.699 ( -1.083 -0.778 11.098) 11.178 16.187 ( -12.088 -6.907 5.888) 15.116 17.301 ( 8.050 5.205 0.737) 9.614 17.684 ( -7.366 5.173 -3.250) 9.570 18.002 ( 0.100 -5.241 -10.222) 11.488 18.026 ( -0.557 0.261 -6.678) 6.706 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -3.252 8.483 -2.753) 9.493 1.333 ( 3.252 8.483 -2.753) 9.493 2.250 ( -7.218 -0.668 3.679) 8.130 2.250 ( 7.218 -0.668 3.679) 8.130 2.508 ( -5.289 -6.105 -2.070) 8.338 2.508 ( 5.289 -6.105 -2.070) 8.338 2.731 ( -0.899 -0.220 -2.019) 2.221 2.731 ( 0.899 -0.220 -2.019) 2.221 3.147 ( -4.116 -3.506 3.052) 6.209 3.147 ( 4.116 -3.506 3.052) 6.209 3.271 ( -6.078 -3.347 -1.959) 7.210 3.271 ( 6.078 -3.347 -1.959) 7.210 3.910 ( -3.560 9.243 0.001) 9.905 3.910 ( 3.560 9.243 0.001) 9.905 4.488 ( -16.065 7.841 -14.743) 23.171 4.488 ( 16.065 7.841 -14.743) 23.171 4.879 ( -5.547 -2.290 -5.542) 8.169 4.879 ( 5.547 -2.290 -5.542) 8.169 4.992 ( -15.767 9.349 0.836) 18.349 4.992 ( 15.767 9.349 0.836) 18.349 5.418 ( -2.464 -10.026 -0.207) 10.326 5.418 ( 2.464 -10.026 -0.207) 10.326 5.974 ( -7.478 8.594 -0.231) 11.394 5.974 ( 7.478 8.594 -0.231) 11.394 6.294 ( -1.614 -3.945 -2.613) 5.000 6.294 ( 1.614 -3.945 -2.613) 5.000 6.429 ( -3.216 -7.477 7.979) 11.398 6.429 ( 3.216 -7.477 7.979) 11.398 7.667 ( -7.627 10.085 6.255) 14.107 7.667 ( 7.627 10.085 6.255) 14.107 8.726 ( -7.283 -4.823 8.180) 11.967 8.726 ( 7.283 -4.823 8.180) 11.967 9.144 ( -10.122 -0.422 0.874) 10.168 9.144 ( 10.122 -0.422 0.874) 10.168 9.511 ( -6.551 -4.852 -5.394) 9.775 9.511 ( 6.551 -4.852 -5.394) 9.775 10.868 ( -9.612 11.429 6.208) 16.172 10.868 ( 9.612 11.429 6.208) 16.172 11.577 ( -9.011 3.843 -0.488) 9.809 11.577 ( 9.011 3.843 -0.488) 9.809 12.153 ( -4.286 -6.130 -9.638) 12.200 12.153 ( 4.286 -6.130 -9.638) 12.200 12.469 ( -8.425 -10.604 -3.740) 14.050 12.469 ( 8.425 -10.604 -3.740) 14.050 12.945 ( -10.890 14.409 -10.820) 21.054 12.945 ( 10.890 14.409 -10.820) 21.054 14.227 ( -3.989 -6.202 1.905) 7.616 14.227 ( 3.989 -6.202 1.905) 7.616 14.313 ( -9.440 3.964 -1.602) 10.363 14.313 ( 9.440 3.964 -1.602) 10.363 15.118 ( -11.632 -9.707 6.266) 16.395 15.118 ( 11.632 -9.707 6.266) 16.395 15.367 ( -3.532 3.012 4.523) 6.481 15.367 ( 3.532 3.012 4.523) 6.481 15.889 ( -14.036 -6.196 12.377) 19.713 15.889 ( 14.036 -6.196 12.377) 19.713 17.499 ( -9.689 6.114 -2.916) 11.822 17.499 ( 9.689 6.114 -2.916) 11.822 18.013 ( -0.697 -2.167 -9.792) 10.053 18.013 ( 0.697 -2.167 -9.792) 10.053 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.297 ( 0.000 10.808 14.069) 17.741 1.512 ( 0.000 13.195 9.758) 16.411 1.694 ( 0.000 3.335 2.172) 3.980 2.124 ( 0.000 -7.621 -7.390) 10.615 2.208 ( 0.000 -7.298 -3.439) 8.068 2.516 ( 0.000 -5.739 20.965) 21.737 2.721 ( 0.000 13.344 2.122) 13.511 2.898 ( 0.000 -3.823 -5.867) 7.003 3.150 ( 0.000 8.515 -14.211) 16.567 3.209 ( 0.000 5.200 3.097) 6.052 3.402 ( 0.000 12.695 -4.930) 13.618 3.756 ( 0.000 1.275 -3.478) 3.704 3.935 ( 0.000 -1.317 -6.266) 6.403 4.135 ( 0.000 20.854 -3.475) 21.142 4.140 ( 0.000 -10.261 6.828) 12.325 4.349 ( 0.000 4.601 9.892) 10.909 4.528 ( 0.000 7.829 0.555) 7.848 4.703 ( 0.000 -5.978 2.141) 6.350 4.802 ( 0.000 -6.861 7.595) 10.235 5.192 ( 0.000 -14.920 -3.730) 15.379 5.274 ( 0.000 1.523 -1.069) 1.861 5.688 ( 0.000 -15.712 -8.837) 18.026 6.125 ( 0.000 -1.053 6.344) 6.431 6.159 ( 0.000 16.047 -7.942) 17.905 6.556 ( 0.000 -18.769 3.138) 19.030 6.598 ( 0.000 -5.861 -9.539) 11.196 6.720 ( 0.000 14.173 -4.418) 14.846 6.967 ( 0.000 8.364 -16.970) 18.919 7.175 ( 0.000 -1.036 -17.438) 17.469 7.269 ( 0.000 -8.963 -3.800) 9.735 8.248 ( 0.000 1.962 -2.676) 3.318 8.324 ( 0.000 -1.418 -5.676) 5.850 8.771 ( 0.000 0.096 10.738) 10.738 8.853 ( 0.000 -4.767 13.244) 14.075 9.949 ( 0.000 1.972 12.035) 12.195 10.106 ( 0.000 -5.213 9.420) 10.766 10.761 ( 0.000 21.220 3.188) 21.458 11.356 ( 0.000 6.699 -9.880) 11.937 11.436 ( 0.000 7.174 0.012) 7.174 11.830 ( 0.000 -15.349 -4.163) 15.904 12.051 ( 0.000 -2.064 -3.774) 4.302 12.229 ( 0.000 -3.752 -9.224) 9.957 12.411 ( 0.000 14.124 0.058) 14.124 12.525 ( 0.000 1.195 -12.177) 12.235 12.827 ( 0.000 4.225 12.691) 13.376 12.893 ( 0.000 0.703 12.255) 12.275 12.903 ( 0.000 -0.576 -3.793) 3.837 13.470 ( 0.000 -17.021 7.716) 18.688 14.344 ( 0.000 0.446 -2.439) 2.480 14.560 ( 0.000 -9.064 -9.530) 13.152 15.141 ( 0.000 5.128 -21.437) 22.042 15.199 ( 0.000 3.874 -7.051) 8.045 15.359 ( 0.000 -2.850 -5.628) 6.308 15.363 ( 0.000 -0.776 -16.411) 16.430 15.653 ( 0.000 -1.101 15.163) 15.202 15.746 ( 0.000 -2.487 13.104) 13.338 17.272 ( 0.000 4.312 17.278) 17.808 17.631 ( 0.000 -13.075 11.270) 17.262 18.091 ( 0.000 2.393 0.598) 2.466 18.093 ( 0.000 1.488 2.619) 3.012 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 6.624 7.708 13.244) 16.694 1.569 ( 1.830 3.856 7.818) 8.907 1.761 ( 6.854 10.057 6.452) 13.775 2.178 ( 1.105 -5.547 -6.857) 8.889 2.201 ( 2.225 -7.546 -5.801) 9.774 2.401 ( -8.447 1.555 17.002) 19.049 2.740 ( 1.026 -5.479 -1.725) 5.835 2.902 ( -1.495 -1.942 -4.637) 5.245 3.166 ( 1.566 7.275 -13.274) 15.218 3.252 ( 3.194 6.681 2.313) 7.758 3.427 ( 3.053 13.057 -3.554) 13.872 3.734 ( -2.309 3.079 -3.460) 5.175 3.883 ( -7.417 3.664 2.262) 8.577 4.057 ( -3.964 14.974 -8.024) 17.444 4.088 ( -2.152 -5.900 5.430) 8.302 4.286 ( -3.040 3.317 5.203) 6.879 4.620 ( 7.967 5.686 4.573) 10.804 4.768 ( 4.990 -2.305 4.686) 7.223 4.864 ( 4.078 -0.397 3.749) 5.553 5.213 ( 2.532 -12.376 -5.628) 13.830 5.368 ( 6.803 -3.190 -1.316) 7.628 5.653 ( -3.441 -13.699 -10.038) 17.328 5.913 ( -8.652 2.485 4.992) 10.293 6.102 ( -13.476 -1.613 -4.338) 14.249 6.392 ( -4.796 -0.253 1.352) 4.989 6.512 ( -7.764 1.896 -7.119) 10.703 6.775 ( -0.104 -1.101 -5.294) 5.408 7.033 ( -4.861 -3.707 -10.565) 12.206 7.175 ( 8.854 8.803 -7.034) 14.330 7.485 ( 15.702 -3.589 -8.156) 18.054 8.292 ( 5.057 2.466 -1.182) 5.749 8.406 ( 4.789 -2.146 -1.821) 5.555 8.745 ( 0.747 1.970 5.348) 5.747 8.970 ( 7.490 -9.306 7.565) 14.140 9.870 ( -7.094 1.635 10.976) 13.171 10.018 ( -7.695 -5.123 7.807) 12.100 10.790 ( 2.726 20.809 3.131) 21.219 11.381 ( 2.156 5.790 -8.810) 10.760 11.464 ( 1.540 9.213 0.555) 9.358 11.836 ( -0.233 -14.158 -2.324) 14.349 12.000 ( -2.097 0.007 -4.791) 5.230 12.161 ( -5.742 -0.700 -8.626) 10.386 12.395 ( -2.751 6.899 -1.894) 7.665 12.503 ( -0.165 -0.714 -7.493) 7.528 12.807 ( -0.787 -0.419 -1.417) 1.674 13.058 ( 13.579 -0.193 1.895) 13.712 13.127 ( 18.515 3.308 14.893) 23.990 13.549 ( 7.239 -12.530 8.310) 16.687 14.339 ( -1.266 0.280 -6.524) 6.652 14.483 ( -7.730 -6.554 -11.589) 15.395 14.883 ( -12.646 1.874 -3.177) 13.173 14.954 ( -12.959 -1.422 -4.485) 13.787 15.425 ( 6.820 1.206 -5.491) 8.839 15.497 ( -1.776 -1.515 6.768) 7.159 15.719 ( 9.090 5.582 2.521) 10.961 16.009 ( 13.917 -8.123 -5.468) 17.016 17.262 ( -0.408 4.884 14.927) 15.711 17.638 ( 0.972 -12.832 7.314) 14.801 18.062 ( -2.325 2.336 1.630) 3.677 18.091 ( -0.612 1.721 0.046) 1.827 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.256 3.877 6.173) 7.631 1.595 ( 8.834 -0.052 11.101) 14.188 1.862 ( -1.770 7.417 15.262) 17.061 2.171 ( 0.029 -5.791 0.811) 5.847 2.231 ( 2.732 7.714 -4.653) 9.414 2.344 ( 2.818 -7.693 -0.584) 8.214 2.734 ( -2.094 -11.156 -2.396) 11.601 2.815 ( -4.759 -4.815 -6.195) 9.177 3.164 ( -2.994 3.217 -6.846) 8.135 3.268 ( -2.637 3.528 -4.233) 6.109 3.472 ( -4.140 9.152 -2.117) 10.266 3.704 ( -2.974 -1.334 0.229) 3.267 3.763 ( 1.114 3.662 -6.618) 7.645 3.942 ( 1.120 3.352 1.663) 3.907 4.157 ( 7.579 13.039 -2.162) 15.236 4.318 ( 4.655 16.214 3.330) 17.195 4.823 ( 9.740 0.943 1.818) 9.953 4.867 ( 3.500 -0.048 6.348) 7.249 4.952 ( 4.977 4.100 -2.349) 6.863 5.246 ( -2.519 -8.707 -9.940) 13.453 5.490 ( 3.456 -4.607 -3.377) 6.676 5.593 ( 0.051 -8.714 -5.932) 10.541 5.819 ( -2.128 -0.225 2.601) 3.368 5.842 ( -7.076 -6.328 -0.193) 9.495 6.186 ( -10.959 4.055 -1.222) 11.748 6.398 ( -5.680 -5.513 -1.725) 8.101 6.696 ( -6.645 -0.680 -1.456) 6.836 6.824 ( -12.280 -4.893 -1.866) 13.350 7.451 ( 14.292 14.396 0.557) 20.293 7.798 ( 12.427 1.261 -4.132) 13.157 8.446 ( 5.487 -2.098 8.964) 10.717 8.457 ( 3.274 1.092 -0.950) 3.580 8.828 ( 6.020 0.386 -0.529) 6.055 9.114 ( 5.754 -12.165 -3.659) 13.946 9.669 ( -11.294 1.461 8.317) 14.102 9.814 ( -10.771 -5.138 3.950) 12.570 10.873 ( 5.043 19.885 3.430) 20.799 11.438 ( 1.928 2.469 -2.381) 3.935 11.460 ( -0.957 15.092 -1.022) 15.157 11.814 ( -1.551 -10.032 -1.744) 10.300 11.981 ( -0.822 -1.103 -6.556) 6.698 12.065 ( -2.491 -0.133 -9.231) 9.562 12.292 ( -4.990 0.562 -3.291) 6.004 12.483 ( -3.886 -11.134 -1.673) 11.911 12.854 ( 6.316 9.398 -4.605) 12.223 13.370 ( 11.861 -7.288 -7.602) 15.862 13.588 ( 23.665 5.678 10.838) 26.641 13.783 ( 14.419 1.123 11.870) 18.710 14.190 ( -9.360 -4.305 -9.787) 14.210 14.369 ( -3.264 -9.869 -6.838) 12.442 14.627 ( -6.144 5.877 8.104) 11.746 14.900 ( 2.029 -6.090 -3.182) 7.164 15.445 ( -2.271 0.140 8.970) 9.254 15.501 ( 1.454 -2.002 3.899) 4.618 15.847 ( 0.316 5.262 -0.855) 5.340 16.161 ( -0.465 -9.159 -3.200) 9.713 17.293 ( 4.230 6.821 7.278) 10.835 17.690 ( 3.996 -10.593 -1.944) 11.487 17.991 ( -4.403 3.017 0.000) 5.338 18.067 ( -1.618 0.758 -2.218) 2.849 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -1.009 8.277 7.979) 11.541 1.680 ( -7.851 11.621 9.427) 16.899 1.902 ( 12.155 -9.644 11.893) 19.549 2.181 ( 0.272 -8.766 4.966) 10.079 2.376 ( 7.126 5.398 -4.890) 10.190 2.401 ( 2.198 -6.373 -4.148) 7.915 2.666 ( -2.641 -7.719 -0.232) 8.162 2.718 ( -4.988 -5.118 -5.767) 9.183 3.126 ( 1.847 1.315 -0.396) 2.302 3.178 ( -5.181 -1.764 -2.872) 6.181 3.279 ( -9.513 7.248 1.241) 12.024 3.499 ( -12.272 -1.086 -2.222) 12.519 3.942 ( 12.204 6.190 -9.787) 16.824 4.088 ( 5.452 1.541 -8.518) 10.231 4.398 ( 8.914 16.199 -7.007) 19.773 4.471 ( 15.154 13.014 -0.846) 19.993 4.863 ( -3.749 -5.287 -2.248) 6.860 5.016 ( -0.175 -7.744 -2.838) 8.249 5.056 ( -4.576 11.013 -9.444) 15.212 5.090 ( 7.651 5.317 -5.006) 10.577 5.447 ( -7.517 0.470 -1.333) 7.649 5.603 ( -8.654 0.863 -3.980) 9.564 5.753 ( 7.166 -6.139 -6.364) 11.381 5.947 ( 8.878 -11.218 4.141) 14.893 6.033 ( -0.415 1.040 6.319) 6.417 6.287 ( -3.709 -8.766 6.032) 11.268 6.503 ( -11.531 -0.608 2.140) 11.743 6.543 ( -13.454 -1.474 6.070) 14.833 7.738 ( 12.032 15.427 4.952) 20.182 7.977 ( 3.612 10.396 2.234) 11.230 8.463 ( 2.321 -6.653 6.972) 9.912 8.595 ( 3.009 -7.738 7.809) 11.398 8.968 ( 7.561 1.603 -1.471) 7.868 9.229 ( 5.596 -9.273 -9.405) 14.344 9.417 ( -11.750 1.851 4.511) 12.722 9.586 ( -10.332 -5.528 -0.326) 11.722 11.005 ( 7.362 18.861 4.091) 20.656 11.348 ( -6.872 14.569 4.686) 16.776 11.541 ( 5.207 6.131 -4.190) 9.070 11.760 ( -3.804 -5.399 -3.058) 7.278 11.968 ( 0.531 -2.818 -6.772) 7.354 12.041 ( -0.499 -4.240 -9.033) 9.991 12.219 ( -1.778 -5.586 -4.362) 7.307 12.355 ( -6.848 -14.642 0.604) 16.176 13.047 ( 10.672 15.890 -5.787) 19.996 13.450 ( -4.156 8.670 -12.874) 16.069 13.933 ( 1.399 -9.889 -1.429) 10.089 14.091 ( 21.791 7.275 4.389) 23.389 14.115 ( -3.961 -8.639 -3.483) 10.122 14.474 ( 15.868 -8.708 10.157) 20.755 14.595 ( 1.839 4.549 3.311) 5.920 14.958 ( 2.326 -8.562 -1.448) 8.989 15.405 ( -1.300 0.751 6.394) 6.568 15.539 ( 3.226 -3.686 7.715) 9.139 15.710 ( -11.509 3.271 6.929) 13.827 16.013 ( -12.034 -9.300 5.507) 16.175 17.446 ( 9.443 8.502 -0.644) 12.723 17.774 ( 1.216 -0.692 -6.253) 6.408 17.892 ( -2.826 -1.394 -3.448) 4.671 18.019 ( -2.938 -1.381 -4.992) 5.955 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -4.048 11.638 9.323) 15.452 1.540 ( 4.048 11.638 9.323) 15.452 2.124 ( -7.006 -12.596 7.525) 16.259 2.124 ( 7.006 -12.596 7.525) 16.259 2.433 ( -0.897 0.565 -7.127) 7.206 2.433 ( 0.897 0.565 -7.127) 7.206 2.655 ( -1.516 -7.050 0.682) 7.244 2.655 ( 1.516 -7.050 0.682) 7.244 3.124 ( -2.128 3.248 0.417) 3.905 3.124 ( 2.128 3.248 0.417) 3.905 3.268 ( -8.787 0.770 -1.193) 8.901 3.268 ( 8.787 0.770 -1.193) 8.901 4.123 ( -3.038 11.026 -6.966) 13.391 4.123 ( 3.038 11.026 -6.966) 13.391 4.618 ( -13.947 -5.674 -19.903) 24.957 4.618 ( 13.947 -5.674 -19.903) 24.957 4.802 ( -10.478 6.978 -4.694) 13.435 4.802 ( 10.478 6.978 -4.694) 13.435 5.262 ( -5.255 10.506 -2.990) 12.121 5.262 ( 5.255 10.506 -2.990) 12.121 5.292 ( -11.476 -0.042 1.340) 11.554 5.292 ( 11.476 -0.042 1.340) 11.554 5.959 ( -6.329 -11.427 -5.185) 14.055 5.959 ( 6.329 -11.427 -5.185) 14.055 6.239 ( -12.307 0.214 10.481) 16.166 6.239 ( 12.307 0.214 10.481) 16.166 6.296 ( -6.889 -3.924 8.892) 11.913 6.296 ( 6.889 -3.924 8.892) 11.913 7.940 ( -6.432 15.600 5.726) 17.819 7.940 ( 6.432 15.600 5.726) 17.819 8.558 ( -5.090 -11.578 8.417) 15.192 8.558 ( 5.090 -11.578 8.417) 15.192 9.165 ( -10.540 2.811 -1.285) 10.984 9.165 ( 10.540 2.811 -1.285) 10.984 9.387 ( -8.125 -6.673 -4.422) 11.406 9.387 ( 8.125 -6.673 -4.422) 11.406 11.178 ( -8.601 17.590 4.553) 20.103 11.178 ( 8.601 17.590 4.553) 20.103 11.658 ( -5.505 2.007 -3.039) 6.600 11.658 ( 5.505 2.007 -3.039) 6.600 12.009 ( -2.576 -6.071 -8.261) 10.570 12.009 ( 2.576 -6.071 -8.261) 10.570 12.236 ( -3.625 -11.736 -1.699) 12.400 12.236 ( 3.625 -11.736 -1.699) 12.400 13.276 ( -10.379 17.580 -9.010) 22.315 13.276 ( 10.379 17.580 -9.010) 22.315 14.005 ( -4.963 -14.817 -2.319) 15.797 14.005 ( 4.963 -14.817 -2.319) 15.797 14.449 ( -10.893 8.783 0.197) 13.994 14.449 ( 10.893 8.783 0.197) 13.994 14.895 ( -11.752 -11.554 4.815) 17.169 14.895 ( 11.752 -11.554 4.815) 17.169 15.441 ( -7.139 4.655 7.102) 11.094 15.441 ( 7.139 4.655 7.102) 11.094 15.732 ( -12.195 -8.446 10.699) 18.290 15.732 ( 12.195 -8.446 10.699) 18.290 17.654 ( -9.248 8.306 -3.329) 12.869 17.654 ( 9.248 8.306 -3.329) 12.869 17.942 ( -4.206 -4.778 -7.262) 9.657 17.942 ( 4.206 -4.778 -7.262) 9.657 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 -8.323 6.084) 10.310 1.505 ( 0.000 8.323 6.084) 10.310 1.930 ( 0.000 -11.768 -2.011) 11.938 1.930 ( 0.000 11.768 -2.011) 11.938 2.240 ( 0.000 -12.212 9.112) 15.237 2.240 ( 0.000 12.212 9.112) 15.237 2.903 ( 0.000 -2.563 -0.762) 2.674 2.903 ( 0.000 2.563 -0.762) 2.674 3.266 ( 0.000 -1.931 -10.156) 10.338 3.266 ( 0.000 1.931 -10.156) 10.338 3.645 ( 0.000 -10.256 -9.265) 13.821 3.645 ( 0.000 10.256 -9.265) 13.821 3.966 ( 0.000 -5.994 12.382) 13.757 3.966 ( 0.000 5.994 12.382) 13.757 4.507 ( 0.000 -14.182 -5.613) 15.252 4.507 ( 0.000 14.182 -5.613) 15.252 4.517 ( 0.000 -9.717 11.884) 15.351 4.517 ( 0.000 9.717 11.884) 15.351 4.859 ( 0.000 -15.292 -1.814) 15.399 4.859 ( 0.000 15.292 -1.814) 15.399 5.414 ( 0.000 -10.583 -3.601) 11.179 5.414 ( 0.000 10.583 -3.601) 11.179 6.219 ( 0.000 -10.351 1.270) 10.429 6.219 ( 0.000 10.351 1.270) 10.429 6.440 ( 0.000 -9.394 -6.795) 11.594 6.440 ( 0.000 9.394 -6.795) 11.594 6.998 ( 0.000 -10.745 -6.414) 12.514 6.998 ( 0.000 10.745 -6.414) 12.514 7.134 ( 0.000 -1.736 -13.954) 14.061 7.134 ( 0.000 1.736 -13.954) 14.061 8.289 ( 0.000 -1.922 -4.071) 4.502 8.289 ( 0.000 1.922 -4.071) 4.502 8.788 ( 0.000 -1.759 12.510) 12.633 8.788 ( 0.000 1.759 12.510) 12.633 10.010 ( 0.000 -3.953 10.758) 11.461 10.010 ( 0.000 3.953 10.758) 11.461 11.207 ( 0.000 -19.676 -0.155) 19.677 11.207 ( 0.000 19.676 -0.155) 19.677 11.577 ( 0.000 -7.169 -2.116) 7.475 11.577 ( 0.000 7.169 -2.116) 7.475 12.118 ( 0.000 -6.091 -11.613) 13.114 12.118 ( 0.000 6.091 -11.613) 13.114 12.570 ( 0.000 -0.730 -8.081) 8.114 12.570 ( 0.000 0.730 -8.081) 8.114 12.867 ( 0.000 -3.269 1.590) 3.636 12.867 ( 0.000 3.269 1.590) 3.636 13.095 ( 0.000 -16.480 18.142) 24.510 13.095 ( 0.000 16.480 18.142) 24.510 14.407 ( 0.000 -5.505 -7.504) 9.306 14.407 ( 0.000 5.505 -7.504) 9.306 15.268 ( 0.000 -6.586 -21.060) 22.066 15.268 ( 0.000 6.586 -21.060) 22.066 15.285 ( 0.000 -4.091 -6.522) 7.699 15.285 ( 0.000 4.091 -6.522) 7.699 15.687 ( 0.000 -3.017 15.348) 15.642 15.687 ( 0.000 3.017 15.348) 15.642 17.404 ( 0.000 -8.732 15.441) 17.739 17.404 ( 0.000 8.732 15.441) 17.739 18.116 ( 0.000 -0.153 1.162) 1.172 18.116 ( 0.000 0.153 1.162) 1.172 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.512 ( 1.384 -6.971 7.430) 10.281 1.512 ( 1.384 6.971 7.430) 10.281 2.015 ( 5.692 -10.461 -1.790) 12.043 2.015 ( 5.692 10.461 -1.790) 12.043 2.224 ( -0.588 -11.508 9.916) 15.202 2.224 ( -0.588 11.508 9.916) 15.202 2.813 ( -7.244 -7.944 -3.129) 11.198 2.813 ( -7.244 7.944 -3.129) 11.198 3.294 ( 1.654 -3.306 -12.578) 13.110 3.294 ( 1.654 3.306 -12.578) 13.110 3.652 ( 0.022 -8.735 -7.036) 11.216 3.652 ( 0.022 8.735 -7.036) 11.216 3.971 ( -3.133 -5.631 10.376) 12.214 3.971 ( -3.133 5.631 10.376) 12.214 4.317 ( -1.227 -7.406 3.690) 8.365 4.317 ( -1.227 7.406 3.690) 8.365 4.709 ( 6.634 -3.527 4.594) 8.807 4.709 ( 6.634 3.527 4.594) 8.807 4.940 ( 6.326 -11.093 -4.496) 13.538 4.940 ( 6.326 11.093 -4.496) 13.538 5.421 ( 0.714 -7.662 -3.602) 8.496 5.421 ( 0.714 7.662 -3.602) 8.496 5.992 ( -13.003 -6.715 2.091) 14.783 5.992 ( -13.003 6.715 2.091) 14.783 6.465 ( -3.599 -5.795 -8.226) 10.686 6.465 ( -3.599 5.795 -8.226) 10.686 6.883 ( -6.593 -8.693 -4.438) 11.778 6.883 ( -6.593 8.693 -4.438) 11.778 7.363 ( 15.716 -7.931 -8.946) 19.746 7.363 ( 15.716 7.931 -8.946) 19.746 8.352 ( 5.077 -3.031 -1.798) 6.180 8.352 ( 5.077 3.031 -1.798) 6.180 8.819 ( 2.774 -5.388 8.001) 10.037 8.819 ( 2.774 5.388 8.001) 10.037 9.925 ( -7.481 -3.735 9.396) 12.577 9.925 ( -7.481 3.735 9.396) 12.577 11.224 ( 1.664 -18.950 -0.362) 19.026 11.224 ( 1.664 18.950 -0.362) 19.026 11.625 ( 3.504 -6.253 -1.249) 7.276 11.625 ( 3.504 6.253 -1.249) 7.276 12.069 ( -3.587 -6.039 -10.934) 12.996 12.069 ( -3.587 6.039 -10.934) 12.996 12.492 ( -6.621 -2.537 -5.727) 9.114 12.492 ( -6.621 2.537 -5.727) 9.114 12.932 ( 6.366 -10.104 -0.618) 11.958 12.932 ( 6.366 10.104 -0.618) 11.958 13.284 ( 16.112 -10.981 17.408) 26.138 13.284 ( 16.112 10.981 17.408) 26.138 14.380 ( -3.622 -3.537 -11.516) 12.579 14.380 ( -3.622 3.537 -11.516) 12.579 14.919 ( -14.139 -1.808 -4.895) 15.071 14.919 ( -14.139 1.808 -4.895) 15.071 15.460 ( 2.226 -1.946 1.009) 3.124 15.460 ( 2.226 1.946 1.009) 3.124 15.849 ( 11.186 -7.150 -1.528) 13.363 15.849 ( 11.186 7.150 -1.528) 13.363 17.406 ( 0.736 -9.244 12.385) 15.472 17.406 ( 0.736 9.244 12.385) 15.472 18.101 ( -1.403 -0.865 0.516) 1.728 18.101 ( -1.403 0.865 0.516) 1.728 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.579 ( 4.749 -1.175 8.582) 9.878 1.579 ( 4.749 1.175 8.582) 9.878 2.048 ( -3.063 -7.970 8.978) 12.390 2.048 ( -3.063 7.970 8.978) 12.390 2.278 ( 5.106 -4.097 2.603) 7.045 2.278 ( 5.106 4.097 2.603) 7.045 2.671 ( -4.509 -6.659 -6.250) 10.185 2.671 ( -4.509 6.659 -6.250) 10.185 3.264 ( -4.935 -4.291 -10.516) 12.384 3.264 ( -4.935 4.291 -10.516) 12.384 3.621 ( -6.011 -5.727 -2.633) 8.709 3.621 ( -6.011 5.727 -2.633) 8.709 3.869 ( 1.433 -5.925 -3.169) 6.870 3.869 ( 1.433 5.925 -3.169) 6.870 4.503 ( 14.079 -9.310 6.361) 18.038 4.503 ( 14.079 9.310 6.361) 18.038 4.776 ( -1.003 -5.247 -0.956) 5.427 4.776 ( -1.003 5.247 -0.956) 5.427 5.090 ( 7.309 -6.895 -4.296) 10.928 5.090 ( 7.309 6.895 -4.296) 10.928 5.451 ( 2.338 -3.307 -4.096) 5.760 5.451 ( 2.338 3.307 -4.096) 5.760 5.790 ( -5.742 -1.786 1.691) 6.246 5.790 ( -5.742 1.786 1.691) 6.246 6.292 ( -10.560 -5.113 -4.812) 12.681 6.292 ( -10.560 5.113 -4.812) 12.681 6.729 ( -8.466 -3.777 1.593) 9.406 6.729 ( -8.466 3.777 1.593) 9.406 7.707 ( 15.794 -9.540 -2.833) 18.668 7.707 ( 15.794 9.540 -2.833) 18.668 8.449 ( 2.621 -1.524 5.509) 6.288 8.449 ( 2.621 1.524 5.509) 6.288 8.905 ( 5.560 -7.411 -2.184) 9.519 8.905 ( 5.560 7.411 -2.184) 9.519 9.721 ( -11.000 -3.655 6.045) 13.073 9.721 ( -11.000 3.655 6.045) 13.073 11.281 ( 3.760 -17.486 -0.106) 17.886 11.281 ( 3.760 17.486 -0.106) 17.886 11.675 ( 0.451 -5.026 -0.709) 5.096 11.675 ( 0.451 5.026 -0.709) 5.096 12.009 ( -1.631 -4.628 -9.318) 10.531 12.009 ( -1.631 4.628 -9.318) 10.531 12.319 ( -9.030 -3.536 -2.957) 10.138 12.319 ( -9.030 3.536 -2.957) 10.138 13.127 ( 11.359 -14.859 -4.243) 19.179 13.127 ( 11.359 14.859 -4.243) 19.179 13.720 ( 23.644 -6.224 16.112) 29.281 13.720 ( 23.644 6.224 16.112) 29.281 14.206 ( -11.780 -5.371 -13.780) 18.908 14.206 ( -11.780 5.371 -13.780) 18.908 14.762 ( -1.408 -6.977 1.963) 7.383 14.762 ( -1.408 6.977 1.963) 7.383 15.463 ( -0.919 -1.586 6.439) 6.695 15.463 ( -0.919 1.586 6.439) 6.695 15.982 ( -0.540 -7.899 -2.086) 8.188 15.982 ( -0.540 7.899 -2.086) 8.188 17.468 ( 5.611 -10.058 3.705) 12.099 17.468 ( 5.611 10.058 3.705) 12.099 18.053 ( -3.183 -2.160 -1.176) 4.022 18.053 ( -3.183 2.160 -1.176) 4.022 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.697 ( 5.921 -9.765 9.534) 14.876 1.697 ( 5.921 9.765 9.534) 14.876 1.941 ( -6.000 -13.115 13.069) 19.463 1.941 ( -6.000 13.115 13.069) 19.463 2.381 ( 4.895 -3.722 -1.057) 6.239 2.381 ( 4.895 3.722 -1.057) 6.239 2.617 ( -2.731 -3.744 -6.567) 8.038 2.617 ( -2.731 3.744 -6.567) 8.038 3.162 ( -1.947 -2.052 -3.511) 4.509 3.162 ( -1.947 2.052 -3.511) 4.509 3.423 ( -10.165 -6.084 -0.048) 11.847 3.423 ( -10.165 6.084 -0.048) 11.847 4.058 ( 13.326 -4.295 -13.781) 19.646 4.058 ( 13.326 4.295 -13.781) 19.646 4.646 ( -9.779 -9.139 -8.228) 15.711 4.646 ( -9.779 9.139 -8.228) 15.711 4.818 ( 13.556 -12.840 0.628) 18.682 4.818 ( 13.556 12.840 0.628) 18.682 5.194 ( 0.482 -3.522 -5.666) 6.689 5.194 ( 0.482 3.522 -5.666) 6.689 5.521 ( 4.188 -9.249 -2.743) 10.517 5.521 ( 4.188 9.249 -2.743) 10.517 5.723 ( -2.201 -7.467 -3.678) 8.610 5.723 ( -2.201 7.467 -3.678) 8.610 6.128 ( -1.837 -6.031 8.448) 10.541 6.128 ( -1.837 6.031 8.448) 10.541 6.513 ( -11.728 -1.310 6.543) 13.493 6.513 ( -11.728 1.310 6.543) 13.493 8.019 ( 13.439 -9.226 2.686) 16.521 8.019 ( 13.439 9.226 2.686) 16.521 8.429 ( -4.545 -6.406 9.320) 12.188 8.429 ( -4.545 6.406 9.320) 12.188 9.057 ( 8.494 -6.813 -6.186) 12.523 9.057 ( 8.494 6.813 -6.186) 12.523 9.482 ( -11.177 -4.329 1.674) 12.102 9.482 ( -11.177 4.329 1.674) 12.102 11.386 ( 6.114 -15.550 0.482) 16.715 11.386 ( 6.114 15.550 0.482) 16.715 11.641 ( -3.562 -5.899 -0.847) 6.943 11.641 ( -3.562 5.899 -0.847) 6.943 11.994 ( 0.080 -4.415 -7.287) 8.521 11.994 ( 0.080 4.415 -7.287) 8.521 12.137 ( -7.390 -1.367 -2.384) 7.884 12.137 ( -7.390 1.367 -2.384) 7.884 13.387 ( 12.640 -14.795 -5.278) 20.162 13.387 ( 12.640 14.795 -5.278) 20.162 13.913 ( -11.972 -8.993 -7.180) 16.606 13.913 ( -11.972 8.993 -7.180) 16.606 14.265 ( 22.990 -9.429 8.277) 26.190 14.265 ( 22.990 9.429 8.277) 26.190 14.767 ( -0.298 -9.610 0.901) 9.656 14.767 ( -0.298 9.610 0.901) 9.656 15.453 ( 1.019 -3.809 7.477) 8.453 15.453 ( 1.019 3.809 7.477) 8.453 15.831 ( -12.100 -7.906 5.537) 15.478 15.831 ( -12.100 7.906 5.537) 15.478 17.632 ( 8.973 -9.158 -3.428) 13.271 17.632 ( 8.973 9.158 -3.428) 13.271 17.962 ( -5.530 -4.155 -3.319) 7.672 17.962 ( -5.530 4.155 -3.319) 7.672 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -5.527 -15.247 11.765) 20.036 1.818 ( 5.495 -15.244 11.765) 20.025 1.818 ( -5.495 15.244 11.765) 20.025 1.818 ( 5.527 15.247 11.765) 20.036 2.507 ( -5.185 -5.704 -4.114) 8.738 2.507 ( -0.236 -5.082 -4.114) 6.543 2.507 ( 0.236 5.082 -4.114) 6.543 2.507 ( 5.185 5.704 -4.114) 8.738 3.229 ( -7.139 -4.655 -0.391) 8.532 3.229 ( 2.766 -3.292 -0.391) 4.317 3.229 ( -2.766 3.292 -0.391) 4.317 3.229 ( 7.139 4.655 -0.391) 8.532 4.370 ( -9.728 -11.857 -14.215) 20.912 4.370 ( -4.589 -11.054 -14.215) 18.583 4.370 ( 4.589 11.054 -14.215) 18.583 4.370 ( 9.728 11.857 -14.215) 20.912 5.079 ( -8.415 -13.511 -5.241) 16.758 5.079 ( 4.345 -13.022 -5.241) 14.694 5.079 ( -4.345 13.022 -5.241) 14.694 5.079 ( 8.415 13.511 -5.241) 16.758 5.632 ( -4.921 -17.911 -2.247) 18.710 5.632 ( 4.266 -17.869 -2.247) 18.508 5.632 ( -4.266 17.869 -2.247) 18.508 5.632 ( 4.921 17.911 -2.247) 18.710 6.255 ( -11.360 -0.929 10.889) 15.763 6.255 ( -11.350 0.897 10.889) 15.754 6.255 ( 11.350 -0.897 10.889) 15.754 6.255 ( 11.360 0.929 10.889) 15.763 8.270 ( -7.161 -15.402 7.049) 18.390 8.270 ( 2.640 -15.038 7.049) 16.817 8.270 ( -2.640 15.038 7.049) 16.817 8.270 ( 7.161 15.402 7.049) 18.390 9.256 ( -9.960 -5.698 -2.990) 11.858 9.256 ( 3.002 -3.150 -2.990) 5.279 9.256 ( -3.002 3.150 -2.990) 5.279 9.256 ( 9.960 5.698 -2.990) 11.858 11.528 ( -5.822 -14.314 0.160) 15.453 11.528 ( 4.724 -14.212 0.160) 14.978 11.528 ( -4.724 14.212 0.160) 14.978 11.528 ( 5.822 14.314 0.160) 15.453 12.024 ( -1.972 -7.408 -4.746) 9.016 12.024 ( 0.943 -7.357 -4.746) 8.806 12.024 ( -0.943 7.357 -4.746) 8.806 12.024 ( 1.972 7.408 -4.746) 9.016 13.652 ( -9.845 -18.196 -5.886) 21.509 13.652 ( 4.970 -17.693 -5.886) 19.297 13.652 ( -4.970 17.693 -5.886) 19.297 13.652 ( 9.845 18.196 -5.886) 21.509 14.658 ( -11.649 -11.187 2.506) 16.344 14.658 ( 10.453 -10.888 2.506) 15.300 14.658 ( -10.453 10.888 2.506) 15.300 14.658 ( 11.649 11.187 2.506) 16.344 15.565 ( -10.215 -7.326 9.062) 15.496 15.565 ( 8.210 -6.666 9.062) 13.927 15.565 ( -8.210 6.666 9.062) 13.927 15.565 ( 10.215 7.326 9.062) 15.496 17.817 ( -7.762 -7.201 -4.829) 11.637 17.817 ( 5.611 -6.683 -4.829) 9.973 17.817 ( -5.611 6.683 -4.829) 9.973 17.817 ( 7.762 7.201 -4.829) 11.637 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 0.000 6.531) 6.531 1.470 ( 0.000 0.000 -13.292) 13.292 1.533 ( 0.000 0.000 22.790) 22.790 2.300 ( 0.000 0.000 -8.763) 8.763 2.319 ( 0.000 0.000 -0.202) 0.202 2.413 ( 0.000 0.000 5.905) 5.905 2.582 ( 0.000 0.000 -7.783) 7.783 2.812 ( 0.000 0.000 -15.600) 15.600 3.007 ( 0.000 0.000 6.952) 6.952 3.271 ( 0.000 0.000 -2.774) 2.774 3.304 ( 0.000 0.000 26.494) 26.494 3.347 ( 0.000 0.000 -5.663) 5.663 3.463 ( 0.000 0.000 9.281) 9.281 4.132 ( 0.000 0.000 14.930) 14.930 4.465 ( 0.000 0.000 -6.371) 6.371 4.494 ( 0.000 0.000 13.854) 13.854 4.674 ( 0.000 0.000 2.483) 2.483 4.682 ( 0.000 0.000 -2.257) 2.257 5.174 ( 0.000 0.000 3.531) 3.531 5.258 ( 0.000 0.000 -3.441) 3.441 5.390 ( 0.000 0.000 4.021) 4.021 5.403 ( 0.000 0.000 -12.541) 12.541 6.098 ( 0.000 0.000 -8.015) 8.015 6.127 ( 0.000 0.000 -13.254) 13.254 6.173 ( 0.000 0.000 -10.027) 10.027 6.348 ( 0.000 0.000 -29.017) 29.017 6.648 ( 0.000 0.000 15.541) 15.541 6.887 ( 0.000 0.000 -4.577) 4.577 7.065 ( 0.000 0.000 -7.038) 7.038 7.306 ( 0.000 0.000 -5.103) 5.103 8.143 ( 0.000 0.000 -2.161) 2.161 8.227 ( 0.000 0.000 -5.528) 5.528 8.938 ( 0.000 0.000 7.345) 7.345 9.165 ( 0.000 0.000 1.552) 1.552 10.184 ( 0.000 0.000 11.994) 11.994 10.382 ( 0.000 0.000 5.747) 5.747 10.392 ( 0.000 0.000 7.894) 7.894 10.778 ( 0.000 0.000 -4.530) 4.530 11.313 ( 0.000 0.000 5.353) 5.353 11.987 ( 0.000 0.000 -8.432) 8.432 11.998 ( 0.000 0.000 -14.420) 14.420 12.126 ( 0.000 0.000 -9.320) 9.320 12.305 ( 0.000 0.000 18.232) 18.232 12.320 ( 0.000 0.000 -6.182) 6.182 12.717 ( 0.000 0.000 -14.188) 14.188 13.213 ( 0.000 0.000 27.226) 27.226 13.219 ( 0.000 0.000 16.199) 16.199 13.649 ( 0.000 0.000 -9.375) 9.375 14.318 ( 0.000 0.000 -7.662) 7.662 14.686 ( 0.000 0.000 -10.505) 10.505 14.699 ( 0.000 0.000 -14.130) 14.130 14.927 ( 0.000 0.000 -11.259) 11.259 15.283 ( 0.000 0.000 3.459) 3.459 15.322 ( 0.000 0.000 -1.554) 1.554 15.942 ( 0.000 0.000 7.702) 7.702 16.005 ( 0.000 0.000 8.122) 8.122 17.524 ( 0.000 0.000 12.752) 12.752 17.881 ( 0.000 0.000 -1.300) 1.300 18.012 ( 0.000 0.000 1.236) 1.236 18.198 ( 0.000 0.000 -3.748) 3.748 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.242 ( 4.014 0.000 2.591) 4.778 1.440 ( -2.633 0.000 -12.563) 12.836 1.660 ( 10.259 0.000 19.058) 21.644 2.285 ( -0.950 0.000 -7.170) 7.233 2.338 ( 1.778 0.000 0.678) 1.903 2.457 ( 3.828 0.000 6.473) 7.520 2.619 ( 1.879 0.000 -11.218) 11.374 2.885 ( 5.372 0.000 -10.299) 11.616 3.010 ( 2.548 0.000 4.194) 4.907 3.254 ( -0.800 0.000 -1.739) 1.915 3.321 ( -4.827 0.000 1.340) 5.009 3.393 ( 3.182 0.000 -5.134) 6.040 3.455 ( 6.741 0.000 30.967) 31.692 3.913 ( -12.788 0.000 12.359) 17.784 4.346 ( -10.651 0.000 -5.231) 11.866 4.528 ( -12.296 0.000 5.784) 13.588 4.633 ( -3.981 0.000 -5.004) 6.395 4.728 ( 15.267 0.000 13.799) 20.580 5.122 ( -0.502 0.000 -0.309) 0.590 5.214 ( -4.633 0.000 -0.492) 4.659 5.421 ( 5.230 0.000 -10.902) 12.091 5.595 ( 9.827 0.000 4.201) 10.688 5.893 ( -15.845 0.000 -9.233) 18.338 6.047 ( -5.552 0.000 -9.889) 11.341 6.181 ( -0.739 0.000 -15.844) 15.861 6.360 ( 2.014 0.000 -19.935) 20.037 6.830 ( -4.460 0.000 -2.170) 4.960 6.854 ( 15.430 0.000 12.786) 20.039 7.012 ( -5.306 0.000 -6.376) 8.295 7.425 ( 9.321 0.000 -4.120) 10.191 8.189 ( 4.502 0.000 -2.301) 5.056 8.355 ( 10.766 0.000 -6.895) 12.785 8.862 ( -2.833 0.000 10.055) 10.447 9.285 ( 6.799 0.000 -1.904) 7.060 10.103 ( -7.373 0.000 11.056) 13.289 10.273 ( -9.721 0.000 5.251) 11.049 10.434 ( 3.868 0.000 8.317) 9.173 10.834 ( 5.046 0.000 -3.903) 6.379 11.334 ( 1.931 0.000 4.257) 4.675 11.936 ( -5.327 0.000 -12.405) 13.501 11.955 ( -1.697 0.000 -6.794) 7.003 12.191 ( -8.609 0.000 15.212) 17.479 12.210 ( 4.206 0.000 -2.410) 4.848 12.324 ( 2.659 0.000 -12.688) 12.964 12.720 ( -0.567 0.000 -16.242) 16.252 13.305 ( -1.108 0.000 -4.552) 4.685 13.344 ( 12.051 0.000 26.782) 29.369 13.632 ( 5.824 0.000 6.043) 8.392 14.325 ( 0.793 0.000 -5.443) 5.500 14.644 ( 0.118 0.000 -2.567) 2.569 14.730 ( 2.545 0.000 -12.421) 12.679 15.060 ( -10.317 0.000 10.158) 14.478 15.152 ( 15.761 0.000 -14.775) 21.603 15.493 ( 5.486 0.000 -4.066) 6.829 15.870 ( -2.595 0.000 12.423) 12.691 16.141 ( 8.572 0.000 -0.954) 8.624 17.478 ( -4.186 0.000 12.111) 12.814 17.842 ( -3.632 0.000 -1.767) 4.039 17.993 ( -1.776 0.000 0.101) 1.779 18.126 ( -6.257 0.000 -3.725) 7.282 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -6.622 0.000 -7.633) 10.105 1.378 ( -4.287 0.000 -9.233) 10.180 1.895 ( 10.829 0.000 11.827) 16.036 2.270 ( -0.413 0.000 -5.190) 5.206 2.397 ( 4.182 0.000 4.282) 5.985 2.569 ( 6.443 0.000 7.460) 9.857 2.626 ( -0.554 0.000 -8.281) 8.299 2.950 ( -1.169 0.000 0.861) 1.452 3.124 ( 3.715 0.000 -5.251) 6.432 3.197 ( -1.220 0.000 -5.256) 5.396 3.235 ( -1.288 0.000 0.592) 1.418 3.437 ( -0.083 0.000 -4.289) 4.289 3.758 ( 20.285 0.000 21.005) 29.201 3.758 ( 0.312 0.000 6.245) 6.253 4.060 ( -14.098 0.000 -1.970) 14.235 4.259 ( -11.534 0.000 9.522) 14.957 4.538 ( -4.724 0.000 -10.425) 11.446 5.006 ( 0.243 0.000 8.466) 8.470 5.106 ( 5.568 0.000 6.505) 8.562 5.194 ( 6.814 0.000 -5.351) 8.664 5.517 ( -18.293 0.000 -6.453) 19.398 5.556 ( 6.406 0.000 -8.923) 10.984 5.692 ( -2.915 0.000 3.572) 4.610 5.940 ( -4.646 0.000 -9.678) 10.735 6.161 ( 1.129 0.000 -17.271) 17.308 6.412 ( 0.957 0.000 -8.624) 8.677 6.722 ( -5.326 0.000 1.600) 5.561 6.857 ( -8.218 0.000 -2.317) 8.538 7.202 ( 16.205 0.000 11.171) 19.683 7.623 ( 8.057 0.000 -1.412) 8.180 8.335 ( 9.436 0.000 -0.921) 9.481 8.629 ( 13.997 0.000 -5.544) 15.055 8.882 ( 4.370 0.000 8.045) 9.156 9.372 ( 1.000 0.000 -3.232) 3.383 9.887 ( -12.697 0.000 9.320) 15.750 10.008 ( -14.096 0.000 3.310) 14.479 10.547 ( 6.588 0.000 9.090) 11.227 10.965 ( 6.193 0.000 -1.942) 6.491 11.378 ( 1.315 0.000 3.808) 4.029 11.835 ( -1.894 0.000 -12.135) 12.282 11.935 ( 0.169 0.000 -4.614) 4.617 12.000 ( -8.852 0.000 9.705) 13.136 12.238 ( -0.458 0.000 -1.622) 1.685 12.452 ( 6.842 0.000 -14.019) 15.599 12.684 ( -2.441 0.000 -14.514) 14.717 13.057 ( -17.250 0.000 -21.080) 27.239 13.683 ( 18.406 0.000 21.374) 28.207 13.942 ( 16.896 0.000 12.783) 21.186 14.349 ( 1.159 0.000 -2.867) 3.092 14.746 ( 10.136 0.000 6.343) 11.957 14.750 ( -3.467 0.000 1.317) 3.709 14.930 ( 0.890 0.000 4.269) 4.361 15.479 ( 13.257 0.000 -11.661) 17.656 15.527 ( -1.839 0.000 -2.994) 3.514 15.865 ( 2.282 0.000 12.933) 13.132 16.307 ( 5.702 0.000 -5.075) 7.634 17.365 ( -5.655 0.000 9.412) 10.980 17.728 ( -7.005 0.000 -2.981) 7.613 17.941 ( -2.986 0.000 -2.969) 4.211 17.968 ( -7.598 0.000 -5.104) 9.153 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.048 ( -7.549 0.000 -10.778) 13.159 1.198 ( -11.456 0.000 -10.871) 15.793 2.103 ( 8.556 0.000 3.314) 9.175 2.268 ( -0.062 0.000 -5.348) 5.348 2.526 ( 7.400 0.000 7.247) 10.358 2.623 ( 0.655 0.000 -2.069) 2.170 2.691 ( 3.400 0.000 5.600) 6.551 2.837 ( -7.771 0.000 4.248) 8.856 3.123 ( 0.873 0.000 -4.380) 4.466 3.221 ( 1.082 0.000 2.554) 2.774 3.252 ( -0.253 0.000 -12.679) 12.682 3.392 ( -3.558 0.000 -2.914) 4.599 3.836 ( -3.675 0.000 4.059) 5.475 3.901 ( 11.105 0.000 -1.585) 11.218 4.042 ( -8.756 0.000 6.487) 10.898 4.292 ( 27.007 0.000 8.772) 28.396 4.411 ( -8.415 0.000 -13.473) 15.885 4.866 ( -4.276 0.000 6.037) 7.398 5.151 ( -14.989 0.000 -0.738) 15.008 5.307 ( -8.184 0.000 -13.229) 15.556 5.389 ( 13.412 0.000 3.756) 13.928 5.508 ( 2.057 0.000 5.992) 6.336 5.725 ( 5.204 0.000 -6.457) 8.293 5.826 ( -6.686 0.000 -6.283) 9.176 6.205 ( 0.792 0.000 -9.666) 9.698 6.328 ( -8.377 0.000 -5.936) 10.267 6.648 ( -0.962 0.000 6.001) 6.077 6.717 ( -4.287 0.000 3.703) 5.665 7.508 ( 12.043 0.000 9.059) 15.070 7.733 ( 1.928 0.000 2.235) 2.952 8.593 ( 14.498 0.000 2.678) 14.743 8.919 ( 12.814 0.000 -3.053) 13.173 8.993 ( 3.865 0.000 5.185) 6.467 9.329 ( -4.895 0.000 -2.158) 5.350 9.594 ( -12.688 0.000 6.770) 14.381 9.721 ( -12.372 0.000 0.204) 12.373 10.706 ( 8.223 0.000 8.977) 12.174 11.024 ( -2.450 0.000 2.630) 3.594 11.409 ( 4.034 0.000 3.899) 5.610 11.767 ( -8.936 0.000 -0.108) 8.937 11.973 ( 3.451 0.000 -4.968) 6.049 11.973 ( 10.189 0.000 -10.767) 14.824 12.189 ( -4.257 0.000 -5.739) 7.145 12.566 ( 3.763 0.000 -10.261) 10.929 12.641 ( -1.296 0.000 -10.004) 10.088 12.665 ( -18.914 0.000 -20.869) 28.165 14.066 ( 16.711 0.000 14.900) 22.389 14.216 ( 8.440 0.000 3.680) 9.207 14.361 ( -0.267 0.000 -1.735) 1.755 14.602 ( -9.001 0.000 11.135) 14.318 15.060 ( 8.982 0.000 -3.437) 9.618 15.076 ( 19.498 0.000 13.143) 23.514 15.436 ( -6.512 0.000 -3.141) 7.230 15.640 ( 0.299 0.000 -1.332) 1.365 15.976 ( 8.170 0.000 12.503) 14.936 16.338 ( -3.264 0.000 1.064) 3.433 17.287 ( -0.401 0.000 3.037) 3.063 17.553 ( -9.142 0.000 -4.152) 10.041 17.842 ( -3.582 0.000 -8.437) 9.166 17.873 ( -3.148 0.000 -6.823) 7.515 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -4.438 0.000 -11.834) 12.639 1.002 ( 4.438 0.000 -11.834) 12.639 2.238 ( -3.665 0.000 -4.437) 5.755 2.238 ( 3.665 0.000 -4.437) 5.755 2.669 ( -4.995 0.000 6.055) 7.849 2.669 ( 4.995 0.000 6.055) 7.849 2.682 ( -5.528 0.000 4.094) 6.879 2.682 ( 5.528 0.000 4.094) 6.879 3.182 ( -4.286 0.000 -9.027) 9.993 3.182 ( 4.286 0.000 -9.027) 9.993 3.296 ( -5.045 0.000 0.395) 5.060 3.296 ( 5.045 0.000 0.395) 5.060 3.880 ( -6.038 0.000 6.299) 8.726 3.880 ( 6.038 0.000 6.299) 8.726 4.170 ( -13.212 0.000 -8.607) 15.768 4.170 ( 13.212 0.000 -8.607) 15.768 4.868 ( -25.943 0.000 -3.275) 26.149 4.868 ( 25.943 0.000 -3.275) 26.149 4.903 ( -7.436 0.000 2.382) 7.808 4.903 ( 7.436 0.000 2.382) 7.808 5.645 ( -10.405 0.000 -1.104) 10.463 5.645 ( 10.405 0.000 -1.104) 10.463 5.713 ( -8.182 0.000 -2.043) 8.433 5.713 ( 8.182 0.000 -2.043) 8.433 6.198 ( -1.329 0.000 -6.255) 6.394 6.198 ( 1.329 0.000 -6.255) 6.394 6.661 ( -1.622 0.000 6.577) 6.774 6.661 ( 1.622 0.000 6.577) 6.774 7.696 ( -5.439 0.000 5.960) 8.069 7.696 ( 5.439 0.000 5.960) 8.069 8.903 ( -12.453 0.000 4.713) 13.315 8.903 ( 12.453 0.000 4.713) 13.315 9.166 ( -9.978 0.000 0.126) 9.978 9.166 ( 9.978 0.000 0.126) 9.978 9.511 ( -5.679 0.000 -0.118) 5.681 9.511 ( 5.679 0.000 -0.118) 5.681 10.888 ( -8.503 0.000 7.134) 11.099 10.888 ( 8.503 0.000 7.134) 11.099 11.564 ( -9.328 0.000 2.132) 9.568 11.564 ( 9.328 0.000 2.132) 9.568 12.075 ( -5.756 0.000 -6.305) 8.537 12.075 ( 5.756 0.000 -6.305) 8.537 12.278 ( -17.027 0.000 -17.901) 24.705 12.278 ( 17.027 0.000 -17.901) 24.705 12.618 ( -1.376 0.000 -8.423) 8.535 12.618 ( 1.376 0.000 -8.423) 8.535 14.329 ( -2.991 0.000 -0.313) 3.008 14.329 ( 2.991 0.000 -0.313) 3.008 14.376 ( -12.480 0.000 11.848) 17.208 14.376 ( 12.480 0.000 11.848) 17.208 15.263 ( -9.401 0.000 -3.778) 10.131 15.263 ( 9.401 0.000 -3.778) 10.131 15.471 ( -15.212 0.000 9.763) 18.075 15.471 ( 15.212 0.000 9.763) 18.075 16.184 ( -10.066 0.000 9.035) 13.526 16.184 ( 10.066 0.000 9.035) 13.526 17.368 ( -7.353 0.000 -3.047) 7.959 17.368 ( 7.353 0.000 -3.047) 7.959 17.822 ( -1.251 0.000 -9.526) 9.608 17.822 ( 1.251 0.000 -9.526) 9.608 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 11.013 5.334) 12.236 1.522 ( 0.000 5.343 -6.847) 8.686 1.612 ( 0.000 6.764 16.347) 17.691 2.229 ( 0.000 -7.257 2.076) 7.548 2.245 ( 0.000 -4.106 -3.960) 5.704 2.537 ( 0.000 10.417 3.052) 10.855 2.634 ( 0.000 3.780 -10.029) 10.718 2.866 ( 0.000 5.183 -12.086) 13.150 2.921 ( 0.000 -4.853 1.174) 4.993 3.212 ( 0.000 -9.263 11.079) 14.442 3.404 ( 0.000 -0.351 -5.766) 5.777 3.465 ( 0.000 12.591 15.580) 20.032 3.513 ( 0.000 11.462 -5.111) 12.550 4.234 ( 0.000 7.875 17.341) 19.046 4.357 ( 0.000 -8.544 -6.677) 10.843 4.513 ( 0.000 -7.393 7.945) 10.852 4.529 ( 0.000 2.087 13.480) 13.641 4.715 ( 0.000 3.080 -1.028) 3.247 5.125 ( 0.000 -3.532 4.186) 5.477 5.273 ( 0.000 -6.574 -8.796) 10.981 5.334 ( 0.000 -5.233 4.409) 6.842 5.468 ( 0.000 7.577 -14.157) 16.058 5.999 ( 0.000 -3.993 -2.637) 4.785 6.208 ( 0.000 6.849 -6.006) 9.109 6.335 ( 0.000 -1.115 -27.023) 27.046 6.392 ( 0.000 12.891 -15.946) 20.505 6.534 ( 0.000 -5.909 8.206) 10.112 6.880 ( 0.000 -14.866 -5.471) 15.841 6.939 ( 0.000 2.762 -1.320) 3.061 7.305 ( 0.000 -2.173 -5.017) 5.468 8.153 ( 0.000 0.873 -2.575) 2.719 8.222 ( 0.000 -0.424 -5.367) 5.383 8.950 ( 0.000 1.150 8.054) 8.136 9.135 ( 0.000 -2.499 4.173) 4.864 10.176 ( 0.000 -0.620 11.307) 11.324 10.344 ( 0.000 -3.378 5.619) 6.556 10.520 ( 0.000 11.995 7.242) 14.012 10.919 ( 0.000 12.332 -6.278) 13.838 11.362 ( 0.000 4.382 4.897) 6.572 11.891 ( 0.000 -6.499 -6.761) 9.378 12.019 ( 0.000 -0.400 -12.625) 12.631 12.096 ( 0.000 -3.078 -10.632) 11.069 12.317 ( 0.000 0.140 -5.615) 5.617 12.371 ( 0.000 4.328 13.287) 13.974 12.716 ( 0.000 0.058 -11.072) 11.072 13.187 ( 0.000 -0.430 26.565) 26.568 13.200 ( 0.000 -2.158 13.256) 13.430 13.674 ( 0.000 1.906 -3.340) 3.846 14.304 ( 0.000 -1.573 -6.189) 6.385 14.555 ( 0.000 -10.944 -8.799) 14.043 14.715 ( 0.000 1.093 -16.549) 16.585 14.939 ( 0.000 1.210 -12.433) 12.492 15.257 ( 0.000 -2.904 0.132) 2.907 15.307 ( 0.000 -1.715 -2.709) 3.206 15.928 ( 0.000 -0.840 9.373) 9.411 16.001 ( 0.000 -0.418 8.524) 8.534 17.522 ( 0.000 0.111 12.063) 12.063 17.861 ( 0.000 -2.740 -1.249) 3.011 18.046 ( 0.000 2.898 1.169) 3.125 18.158 ( 0.000 -2.586 -0.582) 2.650 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.887 11.172 3.096) 12.581 1.523 ( -0.109 7.284 -7.845) 10.706 1.719 ( 8.962 5.374 13.928) 17.413 2.218 ( -0.551 -5.711 -2.071) 6.099 2.267 ( 1.119 -4.717 2.443) 5.429 2.519 ( -0.098 4.408 4.679) 6.429 2.666 ( 1.264 3.971 -10.673) 11.458 2.892 ( -0.257 -2.996 -1.891) 3.552 2.968 ( 6.463 2.009 -8.933) 11.208 3.192 ( -2.908 -9.904 2.458) 10.611 3.338 ( -3.295 3.570 -1.834) 5.193 3.532 ( 7.534 10.161 19.519) 23.259 3.573 ( 3.508 11.511 -5.868) 13.388 4.016 ( -13.632 8.370 13.152) 20.709 4.253 ( -8.877 -6.411 -5.610) 12.303 4.396 ( -7.550 -7.406 10.762) 15.089 4.703 ( -0.041 4.100 -1.309) 4.304 4.749 ( 10.071 1.925 8.990) 13.637 5.050 ( -2.808 -2.861 3.443) 5.284 5.276 ( -3.166 -0.703 -4.793) 5.787 5.393 ( 5.657 -3.244 -5.152) 8.311 5.545 ( 5.971 -4.013 -5.938) 9.328 5.901 ( -10.288 1.113 -4.455) 11.266 6.076 ( -8.651 2.998 -4.855) 10.363 6.225 ( -5.912 0.622 -14.349) 15.531 6.366 ( 2.099 0.512 -15.293) 15.445 6.737 ( 4.049 -1.819 -4.735) 6.490 6.837 ( 2.141 -7.240 0.009) 7.550 7.028 ( 5.807 3.951 1.390) 7.160 7.428 ( 10.829 -0.645 -4.213) 11.637 8.198 ( 4.772 0.960 -2.512) 5.478 8.343 ( 9.987 -1.102 -6.555) 11.997 8.879 ( -3.182 1.643 10.305) 10.909 9.233 ( 5.568 -4.520 1.039) 7.247 10.088 ( -7.916 -1.119 10.432) 13.143 10.233 ( -9.797 -3.443 5.124) 11.579 10.560 ( 3.683 11.765 7.664) 14.516 10.970 ( 4.517 11.823 -5.531) 13.813 11.386 ( 1.962 4.602 4.033) 6.426 11.887 ( -0.880 -4.524 -7.438) 8.750 11.958 ( -4.540 -0.605 -10.482) 11.439 12.093 ( -2.415 -4.639 0.169) 5.233 12.268 ( -2.934 1.138 -1.602) 3.531 12.373 ( 2.171 3.924 -1.308) 4.671 12.700 ( -1.544 -1.359 -12.537) 12.705 13.226 ( 2.702 -4.166 5.295) 7.259 13.398 ( 12.545 2.531 17.616) 21.774 13.685 ( 4.881 4.835 5.361) 8.715 14.276 ( -1.481 -4.562 -5.230) 7.097 14.527 ( 0.149 -10.405 -2.646) 10.737 14.743 ( 2.736 0.939 -11.632) 11.986 15.031 ( -9.064 -2.966 6.162) 11.354 15.151 ( 13.440 0.670 -13.008) 18.716 15.484 ( 6.097 -1.513 -6.083) 8.744 15.882 ( -1.594 1.175 12.075) 12.236 16.105 ( 7.136 -3.131 0.876) 7.842 17.477 ( -3.954 0.298 11.385) 12.055 17.823 ( -3.473 -2.690 -1.957) 4.809 18.027 ( -1.819 2.826 0.190) 3.366 18.098 ( -5.227 -1.500 -0.829) 5.501 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -3.827 14.764 -3.316) 15.609 1.527 ( -1.172 12.104 -5.572) 13.377 1.933 ( 10.105 3.156 6.208) 12.272 2.209 ( -0.090 -3.340 -1.990) 3.889 2.295 ( 2.946 -7.917 9.374) 12.619 2.567 ( 4.387 -1.949 6.677) 8.224 2.662 ( -0.874 1.947 -8.854) 9.108 2.870 ( -1.962 -7.107 -0.089) 7.373 3.100 ( -4.060 -4.246 -3.802) 6.998 3.125 ( 6.796 1.521 -9.281) 11.604 3.305 ( -1.712 3.480 0.913) 3.984 3.575 ( -4.309 6.565 -4.754) 9.179 3.762 ( 5.562 0.480 8.642) 10.288 3.852 ( 6.584 7.854 8.899) 13.573 4.052 ( -6.995 2.827 -3.158) 8.179 4.222 ( -6.998 -1.006 13.312) 15.073 4.655 ( -3.198 9.378 -9.755) 13.905 4.968 ( 8.591 -5.961 4.629) 11.435 5.015 ( -3.495 -1.691 5.610) 6.823 5.180 ( -2.224 -2.716 -5.776) 6.759 5.536 ( 5.447 -3.485 -3.586) 7.395 5.549 ( -9.578 0.588 -5.550) 11.086 5.715 ( -0.930 -1.830 -5.055) 5.455 5.918 ( -6.348 5.344 -4.165) 9.285 6.162 ( 0.559 -4.163 -8.335) 9.334 6.428 ( 2.630 0.226 -5.555) 6.151 6.698 ( -3.976 -1.208 -0.380) 4.173 6.779 ( -7.366 -4.988 -4.302) 9.881 7.300 ( 15.905 8.281 8.580) 19.879 7.669 ( 10.066 3.754 -2.270) 10.980 8.350 ( 9.349 1.502 -1.473) 9.583 8.598 ( 13.122 -2.837 -4.519) 14.165 8.876 ( 3.065 -0.346 7.970) 8.546 9.304 ( 0.699 -6.293 -1.098) 6.426 9.859 ( -13.356 -2.180 8.734) 16.106 9.968 ( -14.064 -3.465 3.167) 14.827 10.669 ( 6.348 11.303 8.470) 15.485 11.089 ( 5.807 10.979 -3.294) 12.850 11.420 ( 0.441 3.800 3.841) 5.421 11.836 ( -2.325 -0.523 -11.044) 11.298 11.891 ( -1.828 -4.162 -4.244) 6.219 11.992 ( -5.122 -0.751 4.291) 6.724 12.218 ( -2.370 -1.526 -3.647) 4.610 12.472 ( 5.177 0.228 -10.616) 11.813 12.656 ( -2.024 -0.442 -9.749) 9.966 13.118 ( -10.954 4.986 -17.812) 21.496 13.713 ( 17.247 3.024 17.349) 24.649 13.940 ( 14.105 -0.544 10.576) 17.638 14.270 ( 0.723 -6.766 -2.220) 7.158 14.627 ( 10.308 -10.722 6.483) 16.224 14.767 ( -3.560 1.120 2.568) 4.529 14.914 ( 1.838 -1.608 3.735) 4.462 15.431 ( 9.344 -2.338 -9.760) 13.712 15.540 ( 1.118 -0.290 -4.174) 4.331 15.886 ( 1.692 1.629 10.759) 11.013 16.246 ( 4.733 -5.451 -3.959) 8.233 17.377 ( -4.588 1.447 8.592) 9.848 17.725 ( -5.334 -1.217 -3.996) 6.775 17.958 ( -6.880 -0.048 -2.037) 7.175 17.973 ( -3.584 2.579 -2.801) 5.229 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -5.220 19.376 -3.430) 20.358 1.404 ( -8.821 17.037 -5.726) 20.022 2.120 ( 7.160 1.114 -1.296) 7.361 2.225 ( 1.234 -1.749 -3.202) 3.852 2.416 ( 7.267 -8.607 9.520) 14.749 2.630 ( -0.077 -1.873 3.107) 3.628 2.685 ( 2.874 -2.827 1.191) 4.204 2.816 ( -2.152 -3.412 2.590) 4.794 3.058 ( 0.551 -2.071 -4.352) 4.851 3.212 ( -1.801 -2.632 -9.088) 9.632 3.224 ( -1.737 1.638 3.343) 4.108 3.425 ( -8.804 0.081 -3.065) 9.323 3.798 ( 4.313 -1.940 0.478) 4.753 3.994 ( -1.274 4.046 -0.378) 4.259 4.032 ( 2.427 2.357 -3.364) 4.771 4.322 ( 16.398 5.717 6.995) 18.722 4.544 ( -6.390 8.376 -13.645) 17.239 4.901 ( -2.767 3.217 5.265) 6.763 5.064 ( -4.399 -8.986 -3.447) 10.582 5.137 ( -2.394 -5.377 -1.773) 6.147 5.430 ( -2.193 2.731 -4.961) 6.073 5.528 ( -4.495 -1.587 4.124) 6.304 5.698 ( 2.697 -6.260 -9.452) 11.653 5.931 ( 5.946 12.663 -1.415) 14.060 6.200 ( 0.954 -4.480 -3.060) 5.508 6.421 ( -4.363 6.499 -2.064) 8.095 6.604 ( -3.504 -2.181 4.313) 5.970 6.637 ( -4.358 -6.775 3.521) 8.792 7.604 ( 11.898 8.959 7.694) 16.764 7.812 ( 2.889 7.493 1.524) 8.174 8.594 ( 13.494 -0.054 2.664) 13.754 8.872 ( 11.970 -5.018 1.570) 13.074 8.974 ( 4.236 -1.193 1.470) 4.640 9.265 ( -3.953 -6.136 -2.291) 7.650 9.552 ( -13.537 -3.181 6.198) 15.224 9.677 ( -12.767 -3.843 0.156) 13.334 10.823 ( 7.990 10.792 8.379) 15.828 11.142 ( -2.922 10.785 1.890) 11.332 11.437 ( 3.829 2.570 3.098) 5.556 11.764 ( -7.614 -0.514 -0.881) 7.682 11.878 ( 3.274 -4.795 -7.733) 9.670 11.986 ( 3.595 -3.103 -6.622) 8.149 12.158 ( -1.994 -2.234 -8.306) 8.829 12.476 ( -6.248 -7.909 -13.092) 16.522 12.671 ( 3.635 8.613 -6.115) 11.171 12.887 ( -8.883 13.913 -15.352) 22.543 14.064 ( 13.749 -1.879 7.555) 15.800 14.154 ( 6.139 -6.638 2.818) 9.470 14.295 ( 2.144 -3.946 2.285) 5.039 14.635 ( -7.686 2.968 10.728) 13.527 14.955 ( 17.478 -9.104 9.516) 21.885 15.051 ( 9.338 -2.738 0.938) 9.776 15.438 ( -3.734 0.308 -1.928) 4.214 15.626 ( 1.398 -0.793 -1.277) 2.053 15.938 ( 3.874 -3.496 11.291) 12.438 16.257 ( -4.161 -7.199 1.043) 8.380 17.333 ( 1.433 4.277 2.541) 5.177 17.601 ( -6.707 3.823 -4.955) 9.174 17.831 ( -3.688 -0.892 -6.123) 7.204 17.894 ( -3.904 1.612 -6.212) 7.512 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -3.197 20.567 -4.226) 21.238 1.256 ( 3.197 20.567 -4.226) 21.238 2.223 ( -2.293 -0.793 -5.360) 5.883 2.223 ( 2.293 -0.793 -5.360) 5.883 2.558 ( -5.932 -6.653 6.854) 11.244 2.558 ( 5.932 -6.653 6.854) 11.244 2.761 ( -4.245 1.070 3.934) 5.886 2.761 ( 4.245 1.070 3.934) 5.886 3.115 ( -4.174 -3.374 -6.508) 8.436 3.115 ( 4.174 -3.374 -6.508) 8.436 3.271 ( -4.826 -2.329 1.908) 5.688 3.271 ( 4.826 -2.329 1.908) 5.688 3.902 ( -4.834 2.047 -0.387) 5.264 3.902 ( 4.834 2.047 -0.387) 5.264 4.228 ( -12.918 4.298 -10.753) 17.349 4.228 ( 12.918 4.298 -10.753) 17.349 4.793 ( -15.252 -5.328 -2.501) 16.348 4.793 ( 15.252 -5.328 -2.501) 16.348 4.998 ( -6.389 7.709 -0.662) 10.035 4.998 ( 6.389 7.709 -0.662) 10.035 5.435 ( -4.113 -7.838 2.055) 9.088 5.435 ( 4.113 -7.838 2.055) 9.088 5.892 ( -10.377 4.102 -6.576) 12.952 5.892 ( 10.377 4.102 -6.576) 12.952 6.278 ( -7.521 7.178 0.579) 10.413 6.278 ( 7.521 7.178 0.579) 10.413 6.585 ( -1.152 -6.448 6.795) 9.438 6.585 ( 1.152 -6.448 6.795) 9.438 7.787 ( -5.122 8.867 5.306) 11.533 7.787 ( 5.122 8.867 5.306) 11.533 8.883 ( -11.395 -2.990 6.675) 13.541 8.883 ( 11.395 -2.990 6.675) 13.541 9.125 ( -9.731 -2.841 -1.833) 10.301 9.125 ( 9.731 -2.841 -1.833) 10.301 9.457 ( -6.123 -4.919 -0.488) 7.869 9.457 ( 6.123 -4.919 -0.488) 7.869 11.001 ( -8.467 10.375 6.531) 14.899 11.001 ( 8.467 10.375 6.531) 14.899 11.584 ( -8.554 1.836 1.306) 8.846 11.584 ( 8.554 1.836 1.306) 8.846 11.969 ( -4.522 -7.214 -7.892) 11.609 11.969 ( 4.522 -7.214 -7.892) 11.609 12.270 ( -10.758 -3.405 -13.544) 17.629 12.270 ( 10.758 -3.405 -13.544) 17.629 12.757 ( -4.349 13.003 -8.490) 16.127 12.757 ( 4.349 13.003 -8.490) 16.127 14.207 ( -1.441 -10.100 -1.565) 10.321 14.207 ( 1.441 -10.100 -1.565) 10.321 14.442 ( -10.189 4.675 11.164) 15.822 14.442 ( 10.189 4.675 11.164) 15.822 15.183 ( -4.325 -7.330 -0.415) 8.521 15.183 ( 4.325 -7.330 -0.415) 8.521 15.490 ( -11.131 2.073 7.147) 13.389 15.490 ( 11.131 2.073 7.147) 13.389 16.095 ( -9.569 -7.893 7.923) 14.718 16.095 ( 9.569 -7.893 7.923) 14.718 17.439 ( -7.610 6.265 -2.744) 10.232 17.439 ( 7.610 6.265 -2.744) 10.232 17.822 ( -2.274 -0.183 -8.535) 8.835 17.822 ( 2.274 -0.183 -8.535) 8.835 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.536 ( 0.000 9.101 6.395) 11.123 1.650 ( 0.000 5.177 1.151) 5.304 1.772 ( 0.000 7.579 7.588) 10.725 2.070 ( 0.000 -7.672 5.098) 9.212 2.225 ( 0.000 4.956 7.389) 8.897 2.708 ( 0.000 1.428 -13.152) 13.230 2.748 ( 0.000 8.275 -1.335) 8.382 2.854 ( 0.000 -10.330 10.542) 14.759 2.874 ( 0.000 0.490 -10.942) 10.953 3.095 ( 0.000 0.557 -10.333) 10.348 3.291 ( 0.000 -4.116 -9.792) 10.622 3.634 ( 0.000 -3.339 -8.243) 8.893 3.868 ( 0.000 22.580 4.715) 23.067 4.262 ( 0.000 2.517 -1.562) 2.962 4.380 ( 0.000 6.211 23.169) 23.987 4.540 ( 0.000 8.017 8.475) 11.666 4.560 ( 0.000 1.233 9.958) 10.034 4.719 ( 0.000 -5.248 0.992) 5.341 5.061 ( 0.000 -5.006 11.846) 12.860 5.077 ( 0.000 -11.185 -6.759) 13.069 5.236 ( 0.000 -0.191 0.458) 0.496 5.488 ( 0.000 -5.526 -9.340) 10.852 6.018 ( 0.000 4.714 -8.070) 9.346 6.185 ( 0.000 -5.880 0.269) 5.886 6.292 ( 0.000 -2.176 -23.358) 23.459 6.525 ( 0.000 -13.264 -9.616) 16.383 6.636 ( 0.000 12.365 -3.516) 12.855 6.669 ( 0.000 8.379 -8.030) 11.605 6.963 ( 0.000 -0.406 -1.817) 1.862 7.193 ( 0.000 -8.438 -3.787) 9.249 8.174 ( 0.000 1.054 -3.491) 3.647 8.210 ( 0.000 -0.691 -4.964) 5.012 8.983 ( 0.000 1.988 9.518) 9.723 9.080 ( 0.000 -2.682 8.285) 8.709 10.170 ( 0.000 0.282 9.435) 9.439 10.263 ( 0.000 -3.994 6.016) 7.222 10.850 ( 0.000 18.977 5.495) 19.756 11.191 ( 0.000 11.376 -6.806) 13.257 11.465 ( 0.000 4.928 3.271) 5.915 11.733 ( 0.000 -9.535 -4.018) 10.347 11.946 ( 0.000 -5.792 -7.410) 9.405 12.000 ( 0.000 -5.909 -11.846) 13.238 12.345 ( 0.000 2.637 -5.870) 6.435 12.431 ( 0.000 1.119 -1.059) 1.541 12.756 ( 0.000 5.069 0.475) 5.091 13.112 ( 0.000 -6.816 6.840) 9.656 13.278 ( 0.000 9.375 23.177) 25.001 13.681 ( 0.000 -2.870 13.221) 13.529 14.254 ( 0.000 -3.000 -5.864) 6.587 14.312 ( 0.000 -10.225 -12.232) 15.943 14.765 ( 0.000 4.228 -17.752) 18.249 14.964 ( 0.000 0.046 -16.518) 16.518 15.169 ( 0.000 -4.175 -2.920) 5.095 15.248 ( 0.000 -3.868 -4.339) 5.813 15.928 ( 0.000 0.923 11.113) 11.152 15.985 ( 0.000 -1.119 9.509) 9.575 17.544 ( 0.000 2.327 10.192) 10.454 17.755 ( 0.000 -6.783 2.420) 7.201 18.108 ( 0.000 2.569 1.011) 2.761 18.136 ( 0.000 0.267 1.395) 1.421 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 5.269 7.905 8.202) 12.550 1.679 ( 2.266 5.860 2.179) 6.650 1.850 ( 6.375 6.357 2.453) 9.331 2.085 ( 1.362 -6.115 3.406) 7.131 2.250 ( 1.831 4.804 9.379) 10.696 2.607 ( -7.377 4.885 -1.292) 8.942 2.758 ( -0.996 2.804 -9.375) 9.836 2.773 ( -5.005 -10.231 2.248) 11.610 2.918 ( 3.273 -3.729 -4.636) 6.791 3.119 ( 1.146 -2.530 -11.632) 11.959 3.318 ( 3.067 0.833 -8.855) 9.408 3.623 ( -1.979 -3.587 -7.618) 8.650 3.942 ( 5.832 21.975 4.721) 23.220 4.145 ( -13.229 4.693 11.496) 18.144 4.288 ( -5.771 8.373 -2.455) 10.461 4.326 ( -4.105 1.354 17.125) 17.662 4.748 ( 4.247 -2.734 5.386) 7.383 4.788 ( 5.757 3.390 2.134) 7.014 5.013 ( -0.552 -2.420 1.192) 2.753 5.171 ( 3.388 -7.702 7.260) 11.113 5.298 ( 4.870 -3.293 -3.401) 6.792 5.433 ( -3.171 -6.577 -10.697) 12.951 5.957 ( -6.382 2.860 -4.393) 8.259 6.028 ( -9.732 -5.970 0.190) 11.419 6.238 ( -7.160 0.754 -18.693) 20.032 6.344 ( -3.052 -4.432 -7.764) 9.446 6.691 ( 1.244 0.859 -2.486) 2.910 6.811 ( 2.547 2.332 -9.673) 10.271 7.121 ( 14.659 5.172 1.652) 15.632 7.373 ( 15.518 -4.795 -4.061) 16.742 8.228 ( 5.544 1.868 -3.263) 6.699 8.313 ( 8.432 -1.825 -5.683) 10.331 8.931 ( -3.187 3.399 10.516) 11.502 9.124 ( 2.275 -5.603 6.137) 8.616 10.072 ( -8.781 -0.172 8.652) 12.329 10.153 ( -9.753 -3.872 5.405) 11.804 10.882 ( 3.036 18.418 5.855) 19.564 11.231 ( 3.632 10.743 -6.177) 12.913 11.495 ( 2.151 5.438 2.647) 6.420 11.759 ( 1.436 -8.131 -3.788) 9.085 11.895 ( -3.797 -4.433 -6.502) 8.737 11.988 ( -1.384 -6.493 -9.005) 11.188 12.298 ( -3.914 2.384 -4.996) 6.779 12.415 ( -1.083 -0.647 -3.360) 3.589 12.734 ( -0.687 6.407 -0.615) 6.473 13.134 ( 2.799 -6.381 0.911) 7.027 13.482 ( 15.310 7.196 19.376) 25.721 13.786 ( 9.117 2.820 13.227) 16.310 14.150 ( -6.838 -6.740 -8.799) 13.023 14.286 ( -1.490 -10.805 -5.806) 12.356 14.771 ( 1.537 2.056 -9.009) 9.368 14.943 ( -6.287 -5.211 -0.283) 8.171 15.199 ( 10.699 3.996 -11.655) 16.318 15.417 ( 7.557 -4.849 -9.191) 12.849 15.917 ( -0.175 2.129 10.594) 10.807 16.033 ( 3.733 -3.547 4.755) 7.009 17.505 ( -3.330 2.634 9.426) 10.338 17.719 ( -3.007 -6.599 1.483) 7.402 18.084 ( -2.411 2.263 0.519) 3.347 18.099 ( -3.241 1.148 0.621) 3.494 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.389 9.195 7.567) 11.915 1.760 ( 5.770 7.822 3.571) 10.355 2.006 ( 7.660 4.372 -3.436) 9.466 2.125 ( 2.354 -4.180 3.466) 5.918 2.263 ( -1.077 6.770 10.340) 12.406 2.483 ( -2.144 -3.431 5.816) 7.085 2.666 ( -3.982 -6.217 -4.908) 8.866 2.711 ( -3.067 -5.415 -3.946) 7.369 3.003 ( 3.723 -2.500 -8.071) 9.234 3.138 ( 0.960 -4.469 -6.399) 7.864 3.388 ( 1.496 4.244 -6.183) 7.647 3.538 ( -5.497 -4.769 -10.193) 12.524 3.837 ( -10.486 5.505 8.990) 14.869 3.989 ( -5.992 1.493 3.600) 7.149 4.246 ( 6.168 16.158 4.982) 17.999 4.348 ( 2.628 13.367 3.276) 14.011 4.799 ( 1.280 -1.187 -7.515) 7.715 4.868 ( 0.061 -1.380 -2.875) 3.190 5.053 ( 4.012 1.049 5.889) 7.202 5.105 ( -7.547 1.986 0.547) 7.823 5.353 ( 2.818 -10.901 -7.240) 13.387 5.505 ( 6.092 -5.480 -3.199) 8.796 5.724 ( -12.915 1.265 -7.169) 14.826 5.941 ( 1.513 -9.013 5.448) 10.640 6.111 ( -3.329 5.278 -6.697) 9.153 6.358 ( 2.157 -6.998 -1.894) 7.564 6.668 ( -3.377 1.285 -0.917) 3.728 6.764 ( -5.025 0.610 -3.867) 6.370 7.498 ( 18.374 10.086 3.858) 21.312 7.730 ( 16.264 0.878 -2.912) 16.546 8.394 ( 9.267 2.695 -2.705) 10.023 8.527 ( 10.717 -3.721 -3.124) 11.766 8.886 ( -0.201 1.892 7.998) 8.221 9.139 ( -1.062 -8.942 3.356) 9.610 9.823 ( -14.125 -0.910 6.665) 15.645 9.888 ( -14.145 -3.747 3.366) 15.014 10.975 ( 5.539 17.290 6.554) 19.302 11.337 ( 6.008 9.999 -4.502) 12.504 11.516 ( -0.998 5.520 2.698) 6.225 11.760 ( -1.298 -7.083 -3.017) 7.808 11.813 ( -3.101 -2.111 -8.088) 8.916 11.952 ( -1.803 -4.121 -4.782) 6.565 12.194 ( -5.611 -0.021 -4.607) 7.260 12.382 ( -2.794 -7.383 -6.970) 10.531 12.781 ( 5.599 11.772 -1.669) 13.142 13.193 ( 1.815 -0.009 -10.235) 10.395 13.807 ( 11.789 5.687 7.432) 15.052 13.911 ( 0.791 -1.615 -1.290) 2.213 14.131 ( 5.065 -5.321 5.346) 9.085 14.355 ( 12.382 -14.225 9.808) 21.257 14.790 ( -2.158 1.151 3.015) 3.882 14.869 ( 2.212 -2.524 2.876) 4.419 15.417 ( 7.166 1.005 -8.836) 11.421 15.511 ( 2.516 -2.245 -4.811) 5.875 15.922 ( -0.162 2.076 7.068) 7.368 16.111 ( 2.387 -6.928 -1.086) 7.408 17.433 ( -2.375 4.036 6.393) 7.925 17.654 ( -2.250 -5.258 -1.764) 5.985 17.987 ( -6.297 2.478 -0.305) 6.774 18.023 ( -4.143 1.672 -2.027) 4.906 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.615 14.880 7.401) 16.630 1.788 ( -3.835 18.141 2.694) 18.736 2.143 ( 5.553 0.534 0.426) 5.595 2.217 ( 6.601 -7.743 8.056) 12.979 2.263 ( 0.978 4.834 -1.549) 5.169 2.468 ( -2.460 -9.732 5.888) 11.638 2.632 ( 1.764 -6.485 -2.071) 7.032 2.672 ( -0.032 -7.854 0.132) 7.855 3.060 ( 1.992 1.175 -5.849) 6.289 3.149 ( -0.318 -3.764 -1.144) 3.947 3.296 ( -8.144 3.787 -0.114) 8.982 3.405 ( -7.500 -0.466 -6.480) 9.923 3.788 ( 5.727 1.161 -2.925) 6.535 3.933 ( 3.137 -4.393 -5.230) 7.516 4.233 ( -6.655 10.369 -8.893) 15.195 4.525 ( 10.265 13.599 2.220) 17.182 4.606 ( -15.308 -4.241 -15.698) 22.332 4.936 ( 2.842 -0.402 -1.445) 3.214 5.004 ( 0.004 5.933 1.183) 6.050 5.164 ( 6.521 5.420 5.193) 9.943 5.399 ( -5.925 -5.882 -3.634) 9.106 5.487 ( -6.496 2.246 -6.791) 9.662 5.613 ( 7.850 -5.777 -4.680) 10.812 5.966 ( -2.135 -12.968 -3.045) 13.491 6.177 ( 9.787 6.592 8.099) 14.312 6.406 ( 2.101 -6.995 4.594) 8.629 6.560 ( -5.916 1.727 3.255) 6.970 6.628 ( -7.905 1.857 2.285) 8.435 7.845 ( 13.605 13.411 5.472) 19.872 8.011 ( 8.818 10.089 0.853) 13.427 8.571 ( 6.938 -2.506 3.671) 8.240 8.730 ( 7.340 -7.821 4.306) 11.558 8.956 ( 6.153 -0.417 -0.020) 6.167 9.101 ( -0.329 -8.430 -2.080) 8.689 9.501 ( -15.108 -1.217 3.727) 15.608 9.586 ( -13.917 -4.512 0.234) 14.632 11.111 ( 7.128 16.079 6.296) 18.681 11.414 ( -4.230 13.766 0.284) 14.404 11.500 ( 4.948 2.859 0.823) 5.773 11.710 ( -3.174 -6.000 -1.853) 7.036 11.792 ( 0.841 -2.430 -8.368) 8.755 11.922 ( -1.332 -1.827 -4.410) 4.956 12.082 ( -3.335 -4.720 -7.838) 9.738 12.279 ( -6.618 -10.818 -7.154) 14.560 12.942 ( 8.352 16.781 -4.079) 19.183 13.189 ( -2.334 14.154 -12.266) 18.874 13.874 ( 1.237 -14.874 -2.991) 15.222 13.962 ( -0.516 -11.683 -6.472) 13.366 14.323 ( 12.624 6.302 13.248) 19.354 14.718 ( -3.954 4.434 7.350) 9.450 14.734 ( 17.745 -10.883 13.072) 24.581 14.964 ( 4.861 -5.474 1.848) 7.551 15.462 ( 0.525 2.459 -0.128) 2.518 15.611 ( 5.390 -1.503 -1.015) 5.687 15.866 ( -4.954 -1.794 8.151) 9.706 16.081 ( -5.757 -9.112 1.384) 10.866 17.448 ( 4.202 6.408 0.935) 7.719 17.648 ( 1.254 -0.781 -5.751) 5.938 17.836 ( -7.196 2.150 -2.184) 7.821 17.918 ( -5.622 0.250 -4.818) 7.409 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -3.442 19.872 6.187) 21.096 1.692 ( 3.442 19.872 6.187) 21.096 2.243 ( -3.031 2.576 -1.819) 4.374 2.243 ( 3.031 2.576 -1.819) 4.374 2.363 ( -6.354 -10.858 5.843) 13.871 2.363 ( 6.354 -10.858 5.843) 13.871 2.683 ( -0.726 -9.105 1.424) 9.245 2.683 ( 0.726 -9.105 1.424) 9.245 3.101 ( -3.048 2.874 -3.133) 5.231 3.101 ( 3.048 2.874 -3.133) 5.231 3.253 ( -5.137 -0.198 0.434) 5.159 3.253 ( 5.137 -0.198 0.434) 5.159 3.962 ( -7.261 3.962 -8.041) 11.536 3.962 ( 7.261 3.962 -8.041) 11.536 4.232 ( -13.353 -5.770 -17.682) 22.896 4.232 ( 13.353 -5.770 -17.682) 22.896 4.790 ( -10.795 8.139 2.912) 13.829 4.790 ( 10.795 8.139 2.912) 13.829 5.180 ( -10.184 5.285 -5.043) 12.533 5.180 ( 10.184 5.285 -5.043) 12.533 5.336 ( -8.029 0.360 2.734) 8.490 5.336 ( 8.029 0.360 2.734) 8.490 5.837 ( -9.836 -9.268 -6.102) 14.829 5.837 ( 9.836 -9.268 -6.102) 14.829 6.410 ( -9.381 4.171 6.475) 12.138 6.410 ( 9.381 4.171 6.475) 12.138 6.467 ( -2.353 -3.311 7.277) 8.333 6.467 ( 2.353 -3.311 7.277) 8.333 8.050 ( -4.923 16.108 4.928) 17.550 8.050 ( 4.923 16.108 4.928) 17.550 8.725 ( -6.874 -12.520 7.767) 16.258 8.725 ( 6.874 -12.520 7.767) 16.258 9.116 ( -7.369 2.335 -3.175) 8.356 9.116 ( 7.369 2.335 -3.175) 8.356 9.332 ( -6.752 -6.649 -1.286) 9.563 9.332 ( 6.752 -6.649 -1.286) 9.563 11.270 ( -7.647 14.455 4.230) 16.892 11.270 ( 7.647 14.455 4.230) 16.892 11.622 ( -5.172 0.577 -0.586) 5.237 11.622 ( 5.172 0.577 -0.586) 5.237 11.849 ( -4.363 -2.877 -6.557) 8.385 11.849 ( 4.363 -2.877 -6.557) 8.385 12.129 ( -6.434 -9.643 -8.411) 14.322 12.129 ( 6.434 -9.643 -8.411) 14.322 13.099 ( -6.006 19.227 -7.924) 21.646 13.099 ( 6.006 19.227 -7.924) 21.646 13.919 ( -2.583 -17.610 -4.551) 18.371 13.919 ( 2.583 -17.610 -4.551) 18.371 14.571 ( -9.683 8.012 9.616) 15.825 14.571 ( 9.683 8.012 9.616) 15.825 14.990 ( -4.650 -10.725 3.577) 12.224 14.990 ( 4.650 -10.725 3.577) 12.224 15.565 ( -8.793 5.285 5.133) 11.472 15.565 ( 8.793 5.285 5.133) 11.472 15.901 ( -9.027 -10.093 6.100) 14.852 15.901 ( 9.027 -10.093 6.100) 14.852 17.588 ( -7.521 7.463 -2.918) 10.989 17.588 ( 7.521 7.463 -2.918) 10.989 17.800 ( -4.458 -2.240 -6.344) 8.071 17.800 ( 4.458 -2.240 -6.344) 8.071 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 -3.376 7.475) 8.202 1.667 ( 0.000 3.376 7.475) 8.202 1.919 ( 0.000 -7.170 3.982) 8.202 1.919 ( 0.000 7.170 3.982) 8.202 2.469 ( 0.000 -16.463 12.399) 20.610 2.469 ( 0.000 16.463 12.399) 20.610 2.831 ( 0.000 -1.245 -8.768) 8.856 2.831 ( 0.000 1.245 -8.768) 8.856 2.953 ( 0.000 -8.410 -15.307) 17.465 2.953 ( 0.000 8.410 -15.307) 17.465 3.436 ( 0.000 -12.169 -11.363) 16.650 3.436 ( 0.000 12.169 -11.363) 16.650 4.272 ( 0.000 -11.311 7.257) 13.438 4.272 ( 0.000 11.311 7.257) 13.438 4.490 ( 0.000 -5.946 10.409) 11.987 4.490 ( 0.000 5.946 10.409) 11.987 4.665 ( 0.000 -0.605 2.490) 2.562 4.665 ( 0.000 0.605 2.490) 2.562 4.924 ( 0.000 -2.024 9.364) 9.580 4.924 ( 0.000 2.024 9.364) 9.580 5.341 ( 0.000 -7.339 -2.428) 7.730 5.341 ( 0.000 7.339 -2.428) 7.730 6.107 ( 0.000 -2.935 -10.812) 11.204 6.107 ( 0.000 2.935 -10.812) 11.204 6.299 ( 0.000 -5.270 -10.944) 12.147 6.299 ( 0.000 5.270 -10.944) 12.147 6.808 ( 0.000 -1.121 -7.802) 7.882 6.808 ( 0.000 1.121 -7.802) 7.882 6.997 ( 0.000 -7.990 -1.986) 8.233 6.997 ( 0.000 7.990 -1.986) 8.233 8.194 ( 0.000 -0.879 -4.359) 4.446 8.194 ( 0.000 0.879 -4.359) 4.446 9.028 ( 0.000 -2.345 10.124) 10.392 9.028 ( 0.000 2.345 10.124) 10.392 10.196 ( 0.000 -2.336 7.375) 7.736 10.196 ( 0.000 2.336 7.375) 7.736 11.216 ( 0.000 -12.450 0.652) 12.467 11.216 ( 0.000 12.450 0.652) 12.467 11.551 ( 0.000 -4.733 -0.179) 4.737 11.551 ( 0.000 4.733 -0.179) 4.737 11.897 ( 0.000 -2.356 -9.309) 9.602 11.897 ( 0.000 2.356 -9.309) 9.602 12.409 ( 0.000 -2.869 -7.373) 7.912 12.409 ( 0.000 2.869 -7.373) 7.912 12.927 ( 0.000 -10.246 3.796) 10.926 12.927 ( 0.000 10.246 3.796) 10.926 13.517 ( 0.000 -11.963 22.851) 25.793 13.517 ( 0.000 11.963 22.851) 25.793 14.210 ( 0.000 -0.003 -10.982) 10.982 14.210 ( 0.000 0.003 -10.982) 10.982 14.885 ( 0.000 -6.605 -18.477) 19.623 14.885 ( 0.000 6.605 -18.477) 19.623 15.166 ( 0.000 -3.315 -4.213) 5.360 15.166 ( 0.000 3.315 -4.213) 5.360 15.956 ( 0.000 -1.601 10.658) 10.777 15.956 ( 0.000 1.601 10.658) 10.777 17.623 ( 0.000 -5.397 7.071) 8.896 17.623 ( 0.000 5.397 7.071) 8.896 18.139 ( 0.000 -0.478 1.098) 1.197 18.139 ( 0.000 0.478 1.098) 1.197 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.702 ( 3.187 -2.894 9.809) 10.712 1.702 ( 3.187 2.894 9.809) 10.712 1.971 ( 4.533 -5.519 1.342) 7.267 1.971 ( 4.533 5.519 1.342) 7.267 2.470 ( -0.161 -14.838 11.142) 18.556 2.470 ( -0.161 14.838 11.142) 18.556 2.739 ( -7.769 -5.847 -5.472) 11.157 2.739 ( -7.769 5.847 -5.472) 11.157 2.964 ( 1.638 -6.740 -16.093) 17.525 2.964 ( 1.638 6.740 -16.093) 17.525 3.463 ( 1.331 -9.411 -10.874) 14.443 3.463 ( 1.331 9.411 -10.874) 14.443 4.257 ( -15.035 -3.494 13.063) 20.221 4.257 ( -15.035 3.494 13.063) 20.221 4.356 ( 7.468 -11.604 2.624) 14.047 4.356 ( 7.468 11.604 2.624) 14.047 4.744 ( 2.677 -7.325 -1.672) 7.976 4.744 ( 2.677 7.325 -1.672) 7.976 5.018 ( 6.540 -6.015 12.308) 15.180 5.018 ( 6.540 6.015 12.308) 15.180 5.317 ( -1.584 -4.077 -5.866) 7.317 5.317 ( -1.584 4.077 -5.866) 7.317 5.971 ( -10.048 -0.504 -4.025) 10.836 5.971 ( -10.048 0.504 -4.025) 10.836 6.253 ( -2.777 -2.015 -13.211) 13.649 6.253 ( -2.777 2.015 -13.211) 13.649 6.786 ( -1.427 -4.820 -4.330) 6.635 6.786 ( -1.427 4.820 -4.330) 6.635 7.248 ( 18.772 -6.748 -2.731) 20.134 7.248 ( 18.772 6.748 -2.731) 20.134 8.271 ( 6.853 -2.193 -4.469) 8.470 8.271 ( 6.853 2.193 -4.469) 8.470 9.016 ( -1.286 -4.802 9.472) 10.697 9.016 ( -1.286 4.802 9.472) 10.697 10.090 ( -9.405 -2.040 6.660) 11.704 10.090 ( -9.405 2.040 6.660) 11.704 11.236 ( 2.107 -12.445 1.247) 12.683 11.236 ( 2.107 12.445 1.247) 12.683 11.604 ( 3.746 -5.418 -0.680) 6.622 11.604 ( 3.746 5.418 -0.680) 6.622 11.866 ( -2.428 -3.108 -8.519) 9.388 11.866 ( -2.428 3.108 -8.519) 9.388 12.364 ( -4.057 -3.518 -6.282) 8.264 12.364 ( -4.057 3.518 -6.282) 8.264 12.940 ( 2.220 -11.574 1.265) 11.852 12.940 ( 2.220 11.574 1.265) 11.852 13.688 ( 14.369 -10.929 21.121) 27.785 13.688 ( 14.369 10.929 21.121) 27.785 14.125 ( -6.879 -4.791 -11.724) 14.413 14.125 ( -6.879 4.791 -11.724) 14.413 14.838 ( -2.226 -4.506 -5.244) 7.264 14.838 ( -2.226 4.506 -5.244) 7.264 15.303 ( 9.210 -5.752 -11.022) 15.473 15.303 ( 9.210 5.752 -11.022) 15.473 15.967 ( 1.051 -2.785 8.159) 8.685 15.967 ( 1.051 2.785 8.159) 8.685 17.589 ( -2.821 -5.505 6.172) 8.739 17.589 ( -2.821 5.505 6.172) 8.739 18.112 ( -2.605 -0.344 0.495) 2.674 18.112 ( -2.605 0.344 0.495) 2.674 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.790 ( 4.892 -2.965 11.962) 13.260 1.790 ( 4.892 2.965 11.962) 13.260 2.086 ( 5.398 -3.218 0.185) 6.287 2.086 ( 5.398 3.218 0.185) 6.287 2.454 ( -1.742 -9.255 7.573) 12.085 2.454 ( -1.742 9.255 7.573) 12.085 2.564 ( -6.888 -8.988 -4.411) 12.153 2.564 ( -6.888 8.988 -4.411) 12.153 3.021 ( 3.269 -3.948 -11.002) 12.137 3.021 ( 3.269 3.948 -11.002) 12.137 3.465 ( -1.430 -3.218 -10.487) 11.062 3.465 ( -1.430 3.218 -10.487) 11.062 3.945 ( -12.241 -4.486 8.781) 15.718 3.945 ( -12.241 4.486 8.781) 15.718 4.569 ( 10.648 -6.590 -0.706) 12.542 4.569 ( 10.648 6.590 -0.706) 12.542 4.717 ( -6.146 -6.884 -4.026) 10.068 4.717 ( -6.146 6.884 -4.026) 10.068 5.125 ( 3.848 -7.196 3.873) 9.032 5.125 ( 3.848 7.196 3.873) 9.032 5.327 ( 2.741 -10.836 -4.387) 12.007 5.327 ( 2.741 10.836 -4.387) 12.007 5.776 ( -7.244 -5.518 -2.590) 9.468 5.776 ( -7.244 5.518 -2.590) 9.468 6.222 ( 0.424 -5.439 -2.915) 6.185 6.222 ( 0.424 5.439 -2.915) 6.185 6.734 ( -3.774 -3.376 -0.564) 5.096 6.734 ( -3.774 3.376 -0.564) 5.096 7.675 ( 20.205 -6.228 -0.533) 21.150 7.675 ( 20.205 6.228 -0.533) 21.150 8.456 ( 9.430 -3.185 -3.178) 10.448 8.456 ( 9.430 3.185 -3.178) 10.448 8.972 ( -2.478 -6.579 6.877) 9.834 8.972 ( -2.478 6.579 6.877) 9.834 9.830 ( -14.270 -1.695 4.529) 15.067 9.830 ( -14.270 1.695 4.529) 15.067 11.309 ( 4.615 -12.594 2.595) 13.662 11.309 ( 4.615 12.594 2.595) 13.662 11.648 ( -0.358 -4.804 -1.726) 5.118 11.648 ( -0.358 4.804 -1.726) 5.118 11.827 ( -0.751 -5.406 -8.382) 10.002 11.827 ( -0.751 5.406 -8.382) 10.002 12.245 ( -6.871 -4.986 -3.887) 9.337 12.245 ( -6.871 4.986 -3.887) 9.337 13.055 ( 8.685 -12.514 -2.671) 15.465 13.055 ( 8.685 12.514 -2.671) 15.465 13.898 ( -5.574 -1.808 -9.982) 11.575 13.898 ( -5.574 1.808 -9.982) 11.575 14.118 ( 16.401 -6.390 17.108) 24.546 14.118 ( 16.401 6.390 17.108) 24.546 14.821 ( 0.545 -1.984 2.719) 3.409 14.821 ( 0.545 1.984 2.719) 3.409 15.459 ( 4.773 -2.634 -6.847) 8.752 15.459 ( 4.773 2.634 -6.847) 8.752 15.988 ( -0.040 -4.671 2.930) 5.514 15.988 ( -0.040 4.671 2.930) 5.514 17.536 ( -1.139 -5.751 2.846) 6.517 17.536 ( -1.139 5.751 2.846) 6.517 18.029 ( -5.157 -1.096 -1.126) 5.391 18.029 ( -5.157 1.096 -1.126) 5.391 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.910 ( 6.348 -9.358 11.558) 16.170 1.910 ( 6.348 9.358 11.558) 16.170 2.144 ( -1.298 -9.088 6.733) 11.385 2.144 ( -1.298 9.088 6.733) 11.385 2.401 ( -0.689 -3.601 2.256) 4.305 2.401 ( -0.689 3.601 2.256) 4.305 2.494 ( -1.544 -3.853 -5.448) 6.849 2.494 ( -1.544 3.853 -5.448) 6.849 3.092 ( 3.713 -2.006 -3.117) 5.247 3.092 ( 3.713 2.006 -3.117) 5.247 3.370 ( -7.626 -3.194 -6.112) 10.282 3.370 ( -7.626 3.194 -6.112) 10.282 3.844 ( 4.221 -3.931 -4.787) 7.496 3.844 ( 4.221 3.931 -4.787) 7.496 4.433 ( -16.346 -9.655 -13.175) 23.109 4.433 ( -16.346 9.655 -13.175) 23.109 4.830 ( 10.943 -12.314 0.713) 16.489 4.830 ( 10.943 12.314 0.713) 16.489 5.164 ( -2.071 -7.102 1.904) 7.639 5.164 ( -2.071 7.102 1.904) 7.639 5.416 ( 6.224 -9.720 -5.660) 12.855 5.416 ( 6.224 9.720 -5.660) 12.855 5.668 ( -3.943 -13.907 -2.536) 14.676 5.668 ( -3.943 13.907 -2.536) 14.676 6.286 ( 5.677 -4.535 6.638) 9.842 6.286 ( 5.677 4.535 6.638) 9.842 6.619 ( -7.079 -2.539 3.880) 8.463 6.619 ( -7.079 2.539 3.880) 8.463 8.079 ( 17.564 -6.310 3.026) 18.906 8.079 ( 17.564 6.310 3.026) 18.906 8.576 ( -1.199 -5.647 4.370) 7.241 8.576 ( -1.199 5.647 4.370) 7.241 8.977 ( 5.646 -3.172 -1.011) 6.555 8.977 ( 5.646 3.172 -1.011) 6.555 9.512 ( -15.184 -2.280 1.262) 15.406 9.512 ( -15.184 2.280 1.262) 15.406 11.421 ( 5.575 -12.081 2.866) 13.610 11.421 ( 5.575 12.081 2.866) 13.610 11.608 ( -2.854 -3.150 -2.069) 4.727 11.608 ( -2.854 3.150 -2.069) 4.727 11.833 ( 1.705 -6.979 -8.324) 10.996 11.833 ( 1.705 6.979 -8.324) 10.996 12.082 ( -8.158 -6.438 -2.859) 10.778 12.082 ( -8.158 6.438 -2.859) 10.778 13.280 ( 11.573 -11.450 -4.732) 16.954 13.280 ( 11.573 11.450 -4.732) 16.954 13.721 ( -9.154 -7.141 -9.490) 14.995 13.721 ( -9.154 7.141 -9.490) 14.995 14.503 ( 16.502 -10.489 12.936) 23.445 14.503 ( 16.502 10.489 12.936) 23.445 14.839 ( 0.084 -6.321 5.099) 8.122 14.839 ( 0.084 6.321 5.099) 8.122 15.540 ( 4.640 -4.615 0.723) 6.584 15.540 ( 4.640 4.615 0.723) 6.584 15.916 ( -7.349 -6.154 3.265) 10.126 15.916 ( -7.349 6.154 3.265) 10.126 17.575 ( 4.915 -5.489 -2.094) 7.660 17.575 ( 4.915 5.489 -2.094) 7.660 17.894 ( -7.462 -2.501 -3.153) 8.478 17.894 ( -7.462 2.501 -3.153) 8.478 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -5.711 -15.198 10.858) 19.532 2.049 ( 5.022 -15.137 10.858) 19.294 2.049 ( -5.022 15.137 10.858) 19.294 2.049 ( 5.711 15.198 10.858) 19.532 2.443 ( -1.359 -11.756 -2.392) 12.074 2.443 ( 0.601 -11.741 -2.392) 11.997 2.443 ( -0.601 11.741 -2.392) 11.997 2.443 ( 1.359 11.756 -2.392) 12.074 3.202 ( -6.405 -4.735 -2.199) 8.263 3.202 ( 0.743 -3.508 -2.199) 4.207 3.202 ( -0.743 3.508 -2.199) 4.207 3.202 ( 6.405 4.736 -2.199) 8.263 4.076 ( -14.451 -6.620 -13.930) 21.136 4.076 ( -7.356 -2.266 -13.930) 15.915 4.076 ( 7.356 2.266 -13.930) 15.915 4.076 ( 14.451 6.620 -13.930) 21.136 5.041 ( -8.070 -12.748 0.862) 15.113 5.041 ( 6.949 -12.582 0.862) 14.400 5.041 ( -6.949 12.582 0.862) 14.400 5.041 ( 8.070 12.748 0.862) 15.113 5.562 ( -6.280 -15.280 -4.176) 17.039 5.562 ( 6.168 -15.268 -4.176) 16.988 5.562 ( -6.168 15.268 -4.176) 16.988 5.562 ( 6.280 15.280 -4.176) 17.039 6.446 ( -8.579 -0.144 7.698) 11.527 6.446 ( -8.576 0.079 7.698) 11.524 6.446 ( 8.576 -0.079 7.698) 11.524 6.446 ( 8.579 0.144 7.698) 11.527 8.406 ( -8.432 -16.804 6.091) 19.763 8.406 ( 0.860 -16.273 6.091) 17.396 8.406 ( -0.860 16.273 6.091) 17.396 8.406 ( 8.432 16.804 6.091) 19.763 9.202 ( -12.164 -4.775 -2.175) 13.248 9.202 ( -8.478 -1.944 -2.175) 8.965 9.202 ( 8.478 1.944 -2.175) 8.965 9.202 ( 12.164 4.775 -2.175) 13.248 11.530 ( -3.991 -9.460 0.095) 10.268 11.530 ( 3.300 -9.394 0.095) 9.957 11.530 ( -3.300 9.394 0.095) 9.957 11.530 ( 3.991 9.460 0.095) 10.268 11.920 ( -5.787 -8.817 -5.230) 11.772 11.920 ( 4.024 -8.569 -5.230) 10.815 11.920 ( -4.024 8.569 -5.230) 10.815 11.920 ( 5.787 8.817 -5.230) 11.772 13.516 ( -6.488 -20.385 -6.566) 22.378 13.516 ( 2.431 -20.162 -6.566) 21.343 13.516 ( -2.431 20.162 -6.566) 21.343 13.516 ( 6.488 20.385 -6.566) 22.378 14.766 ( -7.807 -10.630 6.694) 14.790 14.766 ( 7.647 -10.601 6.694) 14.686 14.766 ( -7.647 10.601 6.694) 14.686 14.766 ( 7.807 10.630 6.694) 14.790 15.707 ( -9.872 -8.220 5.016) 13.791 15.707 ( 3.555 -6.810 5.016) 9.175 15.707 ( -3.555 6.810 5.016) 9.175 15.707 ( 9.872 8.220 5.016) 13.791 17.723 ( -7.632 -5.107 -4.217) 10.105 17.723 ( 0.151 -3.396 -4.217) 5.416 17.723 ( -0.151 3.396 -4.217) 5.416 17.723 ( 7.632 5.107 -4.217) 10.105 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 0.000 -0.042) 0.042 1.266 ( 0.000 0.000 -5.908) 5.908 1.954 ( 0.000 0.000 18.958) 18.958 2.267 ( 0.000 0.000 5.850) 5.850 2.299 ( 0.000 0.000 -16.284) 16.284 2.386 ( 0.000 0.000 5.213) 5.213 2.462 ( 0.000 0.000 -1.225) 1.225 2.498 ( 0.000 0.000 -15.191) 15.191 3.183 ( 0.000 0.000 9.914) 9.914 3.226 ( 0.000 0.000 -0.909) 0.909 3.251 ( 0.000 0.000 -3.374) 3.374 3.360 ( 0.000 0.000 -6.379) 6.379 3.985 ( 0.000 0.000 22.736) 22.736 4.298 ( 0.000 0.000 -10.830) 10.830 4.410 ( 0.000 0.000 12.080) 12.080 4.595 ( 0.000 0.000 -6.278) 6.278 4.815 ( 0.000 0.000 16.528) 16.528 4.933 ( 0.000 0.000 24.564) 24.564 5.112 ( 0.000 0.000 -11.694) 11.694 5.125 ( 0.000 0.000 -2.605) 2.605 5.181 ( 0.000 0.000 -7.179) 7.179 5.495 ( 0.000 0.000 -13.299) 13.299 5.798 ( 0.000 0.000 -8.354) 8.354 5.941 ( 0.000 0.000 -4.247) 4.247 5.957 ( 0.000 0.000 -4.979) 4.979 5.964 ( 0.000 0.000 -11.515) 11.515 6.882 ( 0.000 0.000 2.250) 2.250 6.938 ( 0.000 0.000 13.053) 13.053 6.950 ( 0.000 0.000 -4.487) 4.487 7.162 ( 0.000 0.000 -9.283) 9.283 8.120 ( 0.000 0.000 -0.116) 0.116 8.144 ( 0.000 0.000 -2.651) 2.651 9.068 ( 0.000 0.000 5.484) 5.484 9.151 ( 0.000 0.000 -2.659) 2.659 10.382 ( 0.000 0.000 7.136) 7.136 10.451 ( 0.000 0.000 0.344) 0.344 10.549 ( 0.000 0.000 7.394) 7.394 10.678 ( 0.000 0.000 -5.567) 5.567 11.464 ( 0.000 0.000 9.947) 9.947 11.707 ( 0.000 0.000 -13.918) 13.918 11.880 ( 0.000 0.000 -1.420) 1.420 11.941 ( 0.000 0.000 -7.163) 7.163 12.313 ( 0.000 0.000 4.125) 4.125 12.462 ( 0.000 0.000 -10.504) 10.504 12.708 ( 0.000 0.000 21.506) 21.506 13.136 ( 0.000 0.000 -19.559) 19.559 13.777 ( 0.000 0.000 17.925) 17.925 13.781 ( 0.000 0.000 28.211) 28.211 14.109 ( 0.000 0.000 -13.735) 13.735 14.309 ( 0.000 0.000 -23.824) 23.824 14.608 ( 0.000 0.000 1.548) 1.548 14.717 ( 0.000 0.000 -8.758) 8.758 15.321 ( 0.000 0.000 0.569) 0.569 15.323 ( 0.000 0.000 0.730) 0.730 16.069 ( 0.000 0.000 4.422) 4.422 16.101 ( 0.000 0.000 1.453) 1.453 17.724 ( 0.000 0.000 7.492) 7.492 17.834 ( 0.000 0.000 -3.674) 3.674 18.052 ( 0.000 0.000 2.786) 2.786 18.120 ( 0.000 0.000 -3.845) 3.845 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.220 ( -1.791 0.000 -1.876) 2.594 1.253 ( -1.024 0.000 -5.467) 5.562 1.994 ( 3.049 0.000 13.657) 13.993 2.196 ( -1.942 0.000 -5.171) 5.523 2.426 ( 3.719 0.000 6.063) 7.113 2.438 ( 7.969 0.000 -1.177) 8.056 2.510 ( 4.401 0.000 -1.280) 4.583 2.612 ( 9.421 0.000 -13.761) 16.677 3.155 ( -2.293 0.000 8.127) 8.445 3.239 ( 1.224 0.000 0.627) 1.375 3.290 ( 2.880 0.000 -4.404) 5.262 3.292 ( -5.826 0.000 -4.511) 7.368 3.973 ( -0.713 0.000 16.938) 16.953 4.195 ( -13.963 0.000 14.968) 20.470 4.206 ( -7.918 0.000 -8.634) 11.715 4.469 ( -9.765 0.000 -11.443) 15.043 4.815 ( -8.532 0.000 21.907) 23.510 4.996 ( 11.705 0.000 11.780) 16.606 5.080 ( -4.847 0.000 -4.307) 6.485 5.166 ( 2.755 0.000 -4.990) 5.700 5.239 ( 8.161 0.000 -0.904) 8.210 5.608 ( 4.643 0.000 -28.893) 29.264 5.777 ( -12.631 0.000 -1.147) 12.683 5.813 ( 4.449 0.000 9.966) 10.914 5.855 ( -7.945 0.000 -8.048) 11.309 6.070 ( 7.411 0.000 -13.020) 14.981 6.848 ( -2.896 0.000 2.632) 3.914 6.913 ( -3.343 0.000 -3.879) 5.121 7.103 ( 13.275 0.000 11.548) 17.595 7.302 ( 11.244 0.000 -8.126) 13.873 8.176 ( 5.580 0.000 1.145) 5.696 8.235 ( 8.248 0.000 -4.684) 9.485 9.060 ( 0.363 0.000 9.036) 9.043 9.210 ( 3.869 0.000 -5.704) 6.893 10.282 ( -8.888 0.000 6.397) 10.951 10.341 ( -9.817 0.000 0.647) 9.839 10.602 ( 4.795 0.000 7.971) 9.302 10.740 ( 5.530 0.000 -5.729) 7.963 11.458 ( -0.392 0.000 8.471) 8.480 11.673 ( -2.957 0.000 -12.597) 12.939 11.897 ( 1.640 0.000 1.645) 2.323 12.023 ( 5.959 0.000 -10.420) 12.004 12.290 ( -1.350 0.000 4.792) 4.979 12.448 ( -1.023 0.000 -10.867) 10.915 12.557 ( -12.082 0.000 20.231) 23.564 12.976 ( -13.373 0.000 -20.960) 24.863 13.887 ( 9.374 0.000 26.643) 28.244 13.924 ( 11.343 0.000 15.881) 19.516 14.182 ( 4.968 0.000 -9.613) 10.821 14.379 ( 6.037 0.000 -21.764) 22.586 14.677 ( 7.381 0.000 5.877) 9.435 14.870 ( 13.331 0.000 -12.765) 18.457 15.245 ( -3.615 0.000 8.042) 8.817 15.386 ( 2.199 0.000 -6.212) 6.590 16.056 ( -0.392 0.000 6.300) 6.312 16.130 ( 2.435 0.000 -1.422) 2.820 17.673 ( -4.782 0.000 7.524) 8.915 17.786 ( -4.414 0.000 -4.039) 5.984 18.010 ( -3.867 0.000 1.671) 4.213 18.058 ( -5.590 0.000 -3.027) 6.357 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -8.242 0.000 -1.548) 8.386 1.187 ( -6.527 0.000 -8.255) 10.524 2.060 ( 2.997 0.000 5.832) 6.557 2.177 ( -0.325 0.000 -5.550) 5.560 2.540 ( 6.791 0.000 7.661) 10.238 2.601 ( 6.737 0.000 6.873) 9.624 2.635 ( 6.875 0.000 -0.966) 6.942 2.817 ( 8.056 0.000 -12.048) 14.493 3.096 ( -3.451 0.000 2.864) 4.485 3.149 ( -6.733 0.000 -1.984) 7.019 3.258 ( -0.011 0.000 2.187) 2.187 3.335 ( 0.448 0.000 -5.162) 5.182 3.964 ( -5.886 0.000 13.716) 14.926 3.981 ( 1.136 0.000 3.494) 3.674 4.025 ( -6.419 0.000 -1.732) 6.649 4.267 ( -7.899 0.000 -15.504) 17.401 4.645 ( -6.149 0.000 24.886) 25.635 5.033 ( -0.151 0.000 -11.897) 11.898 5.142 ( -5.013 0.000 5.245) 7.255 5.206 ( 4.838 0.000 0.313) 4.848 5.434 ( 9.545 0.000 -0.426) 9.554 5.506 ( -9.659 0.000 6.985) 11.920 5.609 ( -2.231 0.000 -15.742) 15.899 5.720 ( -3.644 0.000 -11.946) 12.490 5.984 ( 8.414 0.000 6.826) 10.835 6.199 ( 3.373 0.000 -12.023) 12.488 6.779 ( -3.000 0.000 3.126) 4.332 6.827 ( -4.032 0.000 -1.626) 4.347 7.409 ( 14.086 0.000 9.101) 16.770 7.556 ( 11.219 0.000 -5.387) 12.445 8.362 ( 11.944 0.000 3.613) 12.479 8.475 ( 13.725 0.000 -7.412) 15.598 9.093 ( 2.461 0.000 10.691) 10.970 9.275 ( 1.741 0.000 -7.063) 7.274 10.030 ( -14.254 0.000 4.723) 15.016 10.065 ( -15.352 0.000 1.217) 15.400 10.736 ( 7.353 0.000 9.206) 11.782 10.891 ( 7.814 0.000 -5.758) 9.706 11.459 ( 0.647 0.000 5.189) 5.229 11.608 ( -2.086 0.000 -9.773) 9.993 11.927 ( 0.865 0.000 4.371) 4.455 12.105 ( 0.163 0.000 -12.180) 12.181 12.271 ( -13.787 0.000 16.576) 21.560 12.310 ( 3.996 0.000 2.690) 4.817 12.440 ( 0.549 0.000 -9.557) 9.572 12.641 ( -17.033 0.000 -20.016) 26.282 14.135 ( 12.923 0.000 22.208) 25.694 14.147 ( 8.245 0.000 7.805) 11.354 14.271 ( 3.175 0.000 -4.931) 5.865 14.532 ( 7.600 0.000 -16.758) 18.401 14.944 ( 17.266 0.000 12.756) 21.467 15.169 ( -3.617 0.000 12.889) 13.387 15.219 ( 17.844 0.000 -13.961) 22.657 15.395 ( -1.733 0.000 -9.471) 9.628 16.078 ( 2.946 0.000 8.324) 8.830 16.208 ( 4.858 0.000 -5.170) 7.095 17.531 ( -8.067 0.000 7.156) 10.784 17.651 ( -8.092 0.000 -4.850) 9.434 17.897 ( -6.654 0.000 -1.013) 6.731 17.905 ( -7.914 0.000 -1.663) 8.087 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.903 ( -9.692 0.000 -2.279) 9.956 0.979 ( -11.525 0.000 -9.082) 14.674 2.117 ( 2.224 0.000 0.607) 2.305 2.169 ( -0.541 0.000 -4.402) 4.436 2.693 ( 6.894 0.000 7.798) 10.408 2.717 ( 4.458 0.000 9.602) 10.587 2.770 ( 4.774 0.000 0.931) 4.864 2.895 ( -1.497 0.000 -2.044) 2.533 3.014 ( -2.875 0.000 -6.639) 7.235 3.036 ( -3.608 0.000 -4.411) 5.699 3.238 ( -1.136 0.000 0.688) 1.328 3.302 ( -2.944 0.000 -5.084) 5.875 3.939 ( 0.657 0.000 5.908) 5.945 3.959 ( 4.052 0.000 6.868) 7.974 4.046 ( 1.130 0.000 -3.947) 4.106 4.151 ( -3.668 0.000 -11.833) 12.389 4.609 ( 3.911 0.000 19.548) 19.935 4.993 ( -6.554 0.000 6.138) 8.979 4.994 ( -5.653 0.000 -17.942) 18.812 5.098 ( -10.105 0.000 -4.138) 10.919 5.513 ( 5.855 0.000 7.825) 9.772 5.590 ( 4.008 0.000 2.250) 4.596 5.634 ( 6.230 0.000 -2.942) 6.889 5.678 ( -1.513 0.000 -8.213) 8.351 6.096 ( 1.808 0.000 0.175) 1.817 6.186 ( -3.983 0.000 -7.153) 8.188 6.745 ( -0.101 0.000 3.211) 3.213 6.769 ( -1.315 0.000 0.909) 1.598 7.662 ( 9.142 0.000 5.999) 10.934 7.740 ( 5.626 0.000 -1.739) 5.888 8.666 ( 15.864 0.000 4.771) 16.566 8.785 ( 14.429 0.000 -7.006) 16.040 9.147 ( 2.038 0.000 7.610) 7.878 9.272 ( -2.179 0.000 -4.484) 4.985 9.704 ( -15.165 0.000 3.684) 15.606 9.734 ( -14.626 0.000 0.334) 14.630 10.890 ( 6.586 0.000 8.691) 10.905 11.019 ( 2.921 0.000 -3.491) 4.552 11.495 ( 3.595 0.000 4.947) 6.115 11.632 ( 4.031 0.000 -9.113) 9.965 11.944 ( 1.181 0.000 2.516) 2.779 12.004 ( -10.143 0.000 10.264) 14.431 12.058 ( -3.439 0.000 -7.471) 8.224 12.283 ( -16.187 0.000 -16.932) 23.425 12.408 ( 4.022 0.000 -2.684) 4.836 12.462 ( 1.000 0.000 -6.878) 6.950 14.269 ( 3.720 0.000 2.249) 4.347 14.316 ( 1.120 0.000 -2.445) 2.689 14.402 ( 11.697 0.000 16.518) 20.240 14.661 ( 3.038 0.000 -7.275) 7.884 15.108 ( -0.946 0.000 9.075) 9.124 15.310 ( -6.009 0.000 -9.069) 10.879 15.341 ( 17.985 0.000 12.435) 21.866 15.548 ( 11.087 0.000 -7.782) 13.546 16.185 ( 6.615 0.000 8.355) 10.657 16.308 ( 3.401 0.000 -3.909) 5.182 17.365 ( -6.334 0.000 4.582) 7.818 17.462 ( -8.967 0.000 -4.875) 10.206 17.740 ( -6.044 0.000 -1.763) 6.296 17.763 ( -5.902 0.000 -3.734) 6.984 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -2.348 0.000 -6.273) 6.698 0.804 ( 2.348 0.000 -6.273) 6.698 2.152 ( -1.156 0.000 -2.726) 2.961 2.152 ( 1.156 0.000 -2.726) 2.961 2.799 ( -2.295 0.000 5.249) 5.729 2.799 ( 2.295 0.000 5.249) 5.729 2.809 ( -4.588 0.000 7.401) 8.708 2.809 ( 4.588 0.000 7.401) 8.708 2.994 ( -0.548 0.000 -8.931) 8.948 2.994 ( 0.548 0.000 -8.931) 8.948 3.244 ( -1.891 0.000 -3.680) 4.137 3.244 ( 1.891 0.000 -3.680) 4.137 4.005 ( -4.018 0.000 4.450) 5.996 4.005 ( 4.018 0.000 4.450) 5.996 4.067 ( -4.915 0.000 -2.123) 5.354 4.067 ( 4.915 0.000 -2.123) 5.354 4.794 ( -11.357 0.000 -3.001) 11.747 4.794 ( 11.357 0.000 -3.001) 11.747 4.944 ( -2.864 0.000 1.265) 3.131 4.944 ( 2.864 0.000 1.265) 3.131 5.623 ( -3.947 0.000 -0.753) 4.018 5.623 ( 3.947 0.000 -0.753) 4.018 5.687 ( -2.684 0.000 -0.474) 2.726 5.687 ( 2.684 0.000 -0.474) 2.726 6.108 ( -1.590 0.000 -2.449) 2.920 6.108 ( 1.590 0.000 -2.449) 2.920 6.755 ( -0.525 0.000 2.481) 2.536 6.755 ( 0.525 0.000 2.481) 2.536 7.781 ( -1.882 0.000 2.249) 2.933 7.781 ( 1.882 0.000 2.249) 2.933 8.950 ( -5.667 0.000 0.647) 5.704 8.950 ( 5.667 0.000 0.647) 5.704 9.181 ( -4.522 0.000 0.847) 4.601 9.181 ( 4.522 0.000 0.847) 4.601 9.525 ( -1.854 0.000 0.753) 2.001 9.525 ( 1.854 0.000 0.753) 2.001 11.002 ( -3.703 0.000 3.430) 5.048 11.002 ( 3.703 0.000 3.430) 5.048 11.622 ( -6.606 0.000 3.161) 7.323 11.622 ( 6.606 0.000 3.161) 7.323 11.987 ( -2.876 0.000 -2.262) 3.659 11.987 ( 2.876 0.000 -2.262) 3.659 11.988 ( -9.899 0.000 -9.592) 13.784 11.988 ( 9.899 0.000 -9.592) 13.784 12.463 ( -1.138 0.000 -4.962) 5.091 12.463 ( 1.138 0.000 -4.962) 5.091 14.318 ( -1.007 0.000 -0.457) 1.106 14.318 ( 1.007 0.000 -0.457) 1.106 14.611 ( -7.218 0.000 8.612) 11.237 14.611 ( 7.218 0.000 8.612) 11.237 15.170 ( -6.101 0.000 -4.225) 7.422 15.170 ( 6.101 0.000 -4.225) 7.422 15.614 ( -5.721 0.000 3.887) 6.916 15.614 ( 5.721 0.000 3.887) 6.916 16.309 ( -3.647 0.000 3.275) 4.902 16.309 ( 3.647 0.000 3.275) 4.902 17.321 ( -2.896 0.000 -1.347) 3.193 17.321 ( 2.896 0.000 -1.347) 3.193 17.682 ( -0.930 0.000 -3.827) 3.939 17.682 ( 0.930 0.000 -3.827) 3.939 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 9.408 -1.278) 9.495 1.359 ( 0.000 8.689 -5.487) 10.276 1.966 ( 0.000 1.547 16.966) 17.036 2.289 ( 0.000 1.247 -10.801) 10.873 2.318 ( 0.000 5.109 10.438) 11.622 2.393 ( 0.000 -1.195 2.039) 2.363 2.519 ( 0.000 4.323 -4.543) 6.271 2.591 ( 0.000 7.838 -14.678) 16.639 3.010 ( 0.000 -10.116 7.075) 12.344 3.184 ( 0.000 -8.393 -9.833) 12.928 3.353 ( 0.000 1.920 3.367) 3.876 3.420 ( 0.000 8.741 -3.888) 9.567 3.892 ( 0.000 -5.162 17.817) 18.549 4.173 ( 0.000 -8.853 -11.249) 14.315 4.520 ( 0.000 8.466 9.551) 12.763 4.657 ( 0.000 4.025 -4.509) 6.044 4.853 ( 0.000 3.178 16.438) 16.742 4.887 ( 0.000 -0.179 28.372) 28.372 5.089 ( 0.000 -1.927 -2.082) 2.837 5.103 ( 0.000 -6.218 -6.132) 8.733 5.209 ( 0.000 5.917 -11.953) 13.337 5.471 ( 0.000 -1.785 -7.801) 8.003 5.774 ( 0.000 -1.969 -13.405) 13.548 5.891 ( 0.000 -3.718 -8.794) 9.548 6.111 ( 0.000 11.317 -3.067) 11.726 6.143 ( 0.000 13.175 -7.348) 15.085 6.674 ( 0.000 -12.047 5.590) 13.281 6.774 ( 0.000 -13.303 -4.943) 14.192 7.027 ( 0.000 2.137 7.549) 7.846 7.182 ( 0.000 -0.562 -7.256) 7.278 8.122 ( 0.000 0.228 -0.389) 0.451 8.142 ( 0.000 -0.142 -2.489) 2.493 9.087 ( 0.000 1.766 5.429) 5.709 9.159 ( 0.000 0.678 -1.498) 1.645 10.355 ( 0.000 -2.208 6.174) 6.557 10.412 ( 0.000 -3.325 0.593) 3.378 10.669 ( 0.000 11.149 7.271) 13.311 10.801 ( 0.000 11.021 -5.971) 12.534 11.506 ( 0.000 3.578 9.572) 10.219 11.733 ( 0.000 2.076 -11.983) 12.161 11.833 ( 0.000 -4.504 -1.509) 4.750 11.901 ( 0.000 -3.838 -7.464) 8.393 12.298 ( 0.000 -0.976 2.958) 3.115 12.413 ( 0.000 -3.386 -7.415) 8.152 12.797 ( 0.000 6.373 17.237) 18.377 13.154 ( 0.000 0.561 -15.440) 15.451 13.713 ( 0.000 -3.983 23.247) 23.586 13.789 ( 0.000 1.765 11.892) 12.022 14.157 ( 0.000 2.909 -6.928) 7.514 14.328 ( 0.000 1.998 -20.905) 21.001 14.511 ( 0.000 -9.146 4.008) 9.986 14.682 ( 0.000 -3.133 -12.024) 12.425 15.269 ( 0.000 -4.835 0.724) 4.889 15.281 ( 0.000 -3.679 -0.556) 3.720 16.073 ( 0.000 0.433 4.717) 4.737 16.105 ( 0.000 0.238 1.719) 1.735 17.710 ( 0.000 -1.110 7.009) 7.096 17.814 ( 0.000 -1.967 -3.595) 4.098 18.080 ( 0.000 2.346 2.131) 3.169 18.126 ( 0.000 0.654 -2.225) 2.319 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 1.426 11.862 -2.346) 12.175 1.378 ( 1.667 10.986 -4.890) 12.140 1.988 ( 1.858 0.234 13.057) 13.191 2.207 ( -2.853 2.215 -4.443) 5.726 2.432 ( 3.299 -1.962 1.683) 4.191 2.457 ( 7.608 2.682 7.986) 11.351 2.527 ( 2.301 1.779 -5.314) 6.058 2.705 ( 8.156 7.356 -12.433) 16.589 2.982 ( -2.159 -10.040 5.786) 11.787 3.124 ( -5.160 -9.125 -7.531) 12.908 3.359 ( 0.613 2.869 4.365) 5.259 3.455 ( 2.335 7.754 -5.282) 9.669 3.890 ( 0.314 -3.272 12.955) 13.366 4.098 ( -6.095 -6.124 -8.821) 12.347 4.301 ( -14.611 7.624 14.231) 21.775 4.557 ( -8.796 5.555 -10.263) 14.614 4.787 ( -6.821 0.800 22.005) 23.052 4.927 ( 3.495 -4.385 4.387) 7.120 5.046 ( -1.181 -3.936 1.147) 4.266 5.216 ( 0.235 2.903 -3.250) 4.364 5.278 ( 10.386 1.826 -1.311) 10.626 5.523 ( 2.354 -5.322 -9.503) 11.144 5.753 ( -1.100 -0.093 -9.980) 10.041 5.813 ( -9.831 0.908 -6.317) 11.721 6.046 ( -2.064 8.968 -0.099) 9.203 6.145 ( 4.514 6.449 -9.213) 12.118 6.724 ( 1.189 -8.007 2.072) 8.356 6.783 ( -0.535 -9.816 -3.477) 10.428 7.161 ( 12.191 3.118 8.562) 15.220 7.319 ( 11.823 0.425 -6.811) 13.651 8.179 ( 5.670 0.355 0.776) 5.734 8.231 ( 7.897 -0.387 -4.284) 8.992 9.073 ( -0.399 1.271 8.472) 8.576 9.202 ( 2.765 -0.672 -4.158) 5.039 10.253 ( -9.216 -2.525 5.572) 11.062 10.300 ( -9.988 -3.499 0.858) 10.618 10.720 ( 4.589 10.906 7.794) 14.168 10.859 ( 5.167 10.658 -6.027) 13.290 11.503 ( -0.279 3.860 7.922) 8.817 11.699 ( -2.953 2.176 -11.117) 11.706 11.852 ( 1.502 -4.268 0.954) 4.624 11.958 ( 4.019 -5.761 -8.650) 11.142 12.271 ( -2.026 -1.327 3.418) 4.189 12.383 ( -2.758 -3.490 -6.284) 7.699 12.682 ( -8.120 8.395 13.687) 17.993 13.019 ( -10.897 3.083 -17.231) 20.619 13.825 ( 8.515 -3.570 18.541) 20.712 13.915 ( 9.911 -1.784 11.288) 15.127 14.182 ( 2.870 0.050 -1.914) 3.450 14.421 ( 6.874 3.090 -18.543) 20.016 14.589 ( 8.247 -7.736 8.119) 13.920 14.831 ( 12.750 -3.283 -14.552) 19.624 15.207 ( -2.637 -3.341 7.304) 8.454 15.348 ( 3.030 -3.683 -6.919) 8.404 16.061 ( -0.534 0.468 5.876) 5.919 16.122 ( 1.554 -0.708 -0.460) 1.769 17.659 ( -4.639 -0.996 6.961) 8.424 17.765 ( -4.409 -1.966 -3.910) 6.212 18.041 ( -3.603 2.580 1.213) 4.594 18.071 ( -4.939 1.275 -1.642) 5.358 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -2.844 19.412 -1.263) 19.660 1.390 ( -1.924 16.777 -5.806) 17.857 2.034 ( 2.323 -1.601 6.003) 6.633 2.167 ( -1.355 0.434 -5.180) 5.371 2.527 ( 5.958 -3.179 7.299) 9.944 2.606 ( 5.139 0.569 8.965) 10.349 2.616 ( 6.291 -2.454 -2.162) 7.090 2.842 ( 2.272 -2.581 -7.812) 8.535 2.962 ( 1.323 -3.238 -1.983) 4.021 3.014 ( -3.732 -7.460 -4.273) 9.372 3.355 ( -1.742 3.014 4.077) 5.361 3.458 ( -2.956 3.534 -6.008) 7.571 3.910 ( -0.260 -1.711 4.811) 5.113 3.982 ( -3.559 1.129 -3.142) 4.880 4.046 ( -6.180 5.240 12.651) 15.023 4.353 ( -8.839 5.571 -15.689) 18.850 4.645 ( -5.623 0.618 21.725) 22.449 4.968 ( -0.423 -6.931 -7.349) 10.111 5.089 ( 3.460 -3.469 1.927) 5.264 5.133 ( -4.280 -1.962 -0.552) 4.740 5.448 ( -5.101 -1.501 -2.070) 5.706 5.494 ( 0.357 -4.340 -6.221) 7.593 5.620 ( -1.667 1.678 2.469) 3.419 5.766 ( 2.623 7.706 -9.656) 12.629 6.111 ( 6.128 5.913 4.738) 9.745 6.271 ( 5.300 5.518 -9.548) 12.235 6.708 ( -1.816 -4.648 1.503) 5.211 6.738 ( -2.959 -6.954 -1.300) 7.668 7.469 ( 14.839 5.102 7.764) 17.508 7.598 ( 12.706 3.540 -5.013) 14.110 8.365 ( 11.716 0.250 2.899) 12.072 8.462 ( 13.455 -1.170 -6.619) 15.041 9.080 ( 0.914 -1.040 10.096) 10.190 9.242 ( 0.573 -2.986 -5.676) 6.439 9.991 ( -14.778 -3.313 4.205) 15.718 10.020 ( -15.485 -3.840 1.189) 15.998 10.849 ( 7.046 10.340 8.903) 15.357 11.001 ( 7.433 9.894 -5.914) 13.715 11.498 ( -0.073 3.394 4.680) 5.782 11.631 ( -2.411 1.991 -8.794) 9.333 11.873 ( 0.283 -5.030 3.150) 5.942 11.997 ( -1.379 -7.911 -6.806) 10.526 12.204 ( -6.207 -3.004 4.538) 8.255 12.313 ( -2.705 -2.509 -5.688) 6.780 12.566 ( -1.647 11.085 3.232) 11.664 12.775 ( -10.208 10.195 -15.421) 21.118 14.013 ( 8.064 -7.671 9.105) 14.380 14.093 ( 5.661 -8.980 1.967) 10.796 14.293 ( 7.633 3.156 9.656) 12.707 14.577 ( 7.321 2.866 -13.779) 15.864 14.863 ( 16.409 -6.527 13.796) 22.410 15.092 ( 4.245 -5.999 1.009) 7.418 15.226 ( 10.011 0.260 -2.878) 10.419 15.390 ( 1.019 -1.063 -9.908) 10.017 16.069 ( 1.619 -0.842 7.116) 7.346 16.174 ( 3.294 -3.051 -3.798) 5.881 17.528 ( -7.017 0.018 6.490) 9.559 17.639 ( -6.967 -1.048 -4.732) 8.487 17.930 ( -7.888 2.397 -0.674) 8.272 17.934 ( -6.226 2.852 -1.081) 6.933 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -5.200 27.105 -0.330) 27.602 1.288 ( -6.483 24.634 -4.560) 25.878 2.085 ( 2.380 -2.117 0.353) 3.205 2.145 ( -0.739 -1.037 -4.681) 4.851 2.655 ( 4.106 -4.367 12.499) 13.862 2.696 ( 4.708 -2.158 4.883) 7.119 2.758 ( 5.376 -3.828 1.165) 6.702 2.830 ( -1.011 -7.394 -1.576) 7.628 2.959 ( -0.180 -2.095 -4.886) 5.319 3.004 ( -0.630 0.295 -8.847) 8.874 3.292 ( -2.853 3.333 3.319) 5.501 3.360 ( -4.916 1.938 -3.343) 6.253 3.877 ( 0.277 -4.797 5.772) 7.510 3.956 ( 1.400 -0.836 -3.078) 3.483 4.015 ( -1.973 -0.186 3.398) 3.934 4.200 ( -6.489 3.137 -13.423) 15.236 4.612 ( 3.809 0.702 14.488) 14.996 4.896 ( -3.892 -6.290 -11.728) 13.866 5.025 ( -6.350 2.334 4.676) 8.223 5.104 ( -5.650 2.374 -2.628) 6.668 5.383 ( 3.148 -4.468 1.962) 5.808 5.496 ( 3.616 -9.854 -8.325) 13.397 5.667 ( 1.405 3.157 7.864) 8.590 5.834 ( 1.765 7.982 -7.765) 11.274 6.218 ( 3.476 7.625 4.405) 9.467 6.330 ( 0.210 10.895 -5.911) 12.397 6.679 ( -0.491 -4.946 2.492) 5.560 6.692 ( -1.075 -6.392 1.265) 6.604 7.738 ( 9.760 7.300 5.372) 13.320 7.811 ( 6.643 6.837 -1.830) 9.706 8.664 ( 15.868 -0.367 4.488) 16.494 8.775 ( 15.184 -1.179 -6.444) 16.537 9.102 ( 0.581 -4.049 7.303) 8.371 9.217 ( -3.051 -5.105 -3.865) 7.093 9.652 ( -15.812 -4.408 3.432) 16.770 9.685 ( -15.144 -4.333 -0.053) 15.751 10.995 ( 6.268 9.673 8.280) 14.192 11.123 ( 2.685 9.433 -3.873) 10.544 11.515 ( 2.854 1.809 4.689) 5.780 11.640 ( 2.856 0.563 -7.919) 8.437 11.869 ( -1.132 -6.639 2.761) 7.279 11.925 ( -3.381 -5.285 -1.179) 6.383 12.037 ( -7.166 -1.920 -0.063) 7.419 12.201 ( -8.773 -3.830 -12.758) 15.950 12.585 ( 2.256 12.842 -1.231) 13.097 12.649 ( -1.965 15.051 -7.799) 17.065 14.139 ( 3.816 -11.116 1.659) 11.869 14.169 ( 1.979 -11.947 -1.207) 12.170 14.481 ( 9.400 4.718 13.330) 16.980 14.700 ( 3.041 2.902 -6.132) 7.434 15.070 ( 0.471 -3.645 8.231) 9.014 15.186 ( 4.760 -7.846 2.088) 9.412 15.396 ( 7.989 2.211 2.080) 8.546 15.535 ( 10.528 -0.810 -7.398) 12.893 16.127 ( 3.300 -5.277 7.402) 9.671 16.234 ( 1.152 -6.643 -3.295) 7.504 17.402 ( -3.739 3.342 4.240) 6.568 17.497 ( -5.856 2.905 -5.175) 8.338 17.763 ( -6.806 2.028 -0.765) 7.143 17.793 ( -6.493 2.425 -3.539) 7.782 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -1.166 29.690 -1.828) 29.769 1.191 ( 1.166 29.690 -1.828) 29.769 2.126 ( -1.342 -1.482 -3.041) 3.639 2.126 ( 1.342 -1.482 -3.041) 3.639 2.716 ( -2.141 -5.461 8.049) 9.959 2.716 ( 2.141 -5.461 8.049) 9.959 2.829 ( -1.217 -3.172 0.245) 3.406 2.829 ( 1.217 -3.172 0.245) 3.406 2.973 ( -1.173 0.432 -5.254) 5.401 2.973 ( 1.173 0.432 -5.254) 5.401 3.282 ( -2.025 2.295 -0.729) 3.146 3.282 ( 2.025 2.295 -0.729) 3.146 3.932 ( -4.316 -5.116 4.004) 7.800 3.932 ( 4.316 -5.116 4.004) 7.800 4.052 ( -6.875 -3.081 -7.373) 10.541 4.052 ( 6.875 -3.081 -7.373) 10.541 4.774 ( -9.144 0.355 0.036) 9.151 4.774 ( 9.144 0.355 0.036) 9.151 4.971 ( -4.055 2.921 -1.394) 5.189 4.971 ( 4.055 2.921 -1.394) 5.189 5.493 ( -4.857 -6.620 2.878) 8.700 5.493 ( 4.857 -6.620 2.878) 8.700 5.768 ( -7.030 3.317 -4.523) 8.993 5.768 ( 7.030 3.317 -4.523) 8.993 6.290 ( -3.401 12.789 0.403) 13.240 6.290 ( 3.401 12.789 0.403) 13.240 6.681 ( -0.364 -6.257 2.508) 6.751 6.681 ( 0.364 -6.257 2.508) 6.751 7.863 ( -1.802 8.256 2.044) 8.695 7.863 ( 1.802 8.256 2.044) 8.695 8.969 ( -7.758 1.418 1.819) 8.094 8.969 ( 7.758 1.418 1.819) 8.094 9.104 ( -6.308 -7.041 -0.145) 9.455 9.104 ( 6.308 -7.041 -0.145) 9.455 9.461 ( -2.045 -5.703 0.378) 6.071 9.461 ( 2.045 -5.703 0.378) 6.071 11.103 ( -3.649 9.144 2.988) 10.289 11.103 ( 3.649 9.144 2.988) 10.289 11.627 ( -5.686 0.326 2.323) 6.151 11.627 ( 5.686 0.326 2.323) 6.151 11.869 ( -3.472 -5.831 -1.311) 6.912 11.869 ( 3.472 -5.831 -1.311) 6.912 12.015 ( -6.237 -1.325 -9.904) 11.779 12.015 ( 6.237 -1.325 -9.904) 11.779 12.626 ( -1.264 14.103 -3.756) 14.650 12.626 ( 1.264 14.103 -3.756) 14.650 14.184 ( -0.595 -11.992 -0.663) 12.025 14.184 ( 0.595 -11.992 -0.663) 12.025 14.660 ( -6.381 3.754 7.992) 10.894 14.660 ( 6.381 3.754 7.992) 10.894 15.129 ( -5.022 -3.877 -3.319) 7.160 15.129 ( 5.022 -3.877 -3.319) 7.160 15.605 ( -5.354 -0.134 3.364) 6.324 15.605 ( 5.354 -0.134 3.364) 6.324 16.201 ( -3.517 -9.385 2.669) 10.372 16.201 ( 3.517 -9.385 2.669) 10.372 17.399 ( -3.089 6.602 -1.100) 7.372 17.399 ( 3.089 6.602 -1.100) 7.372 17.697 ( -1.330 1.111 -3.437) 3.849 17.697 ( 1.330 1.111 -3.437) 3.849 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.561 ( 0.000 11.976 -0.637) 11.993 1.590 ( 0.000 12.324 -3.741) 12.879 2.022 ( 0.000 3.232 16.020) 16.342 2.296 ( 0.000 -7.269 12.196) 14.198 2.385 ( 0.000 6.415 -16.007) 17.245 2.458 ( 0.000 8.401 13.628) 16.009 2.582 ( 0.000 0.458 -11.717) 11.726 2.752 ( 0.000 4.930 -14.165) 14.999 2.837 ( 0.000 -4.875 4.387) 6.559 2.978 ( 0.000 -8.178 -7.926) 11.388 3.241 ( 0.000 -11.489 8.313) 14.181 3.444 ( 0.000 -8.535 -10.379) 13.438 3.994 ( 0.000 14.420 6.732) 15.914 4.137 ( 0.000 7.913 -7.620) 10.985 4.645 ( 0.000 0.762 1.929) 2.074 4.669 ( 0.000 -4.660 -1.217) 4.817 4.886 ( 0.000 0.349 12.503) 12.508 4.949 ( 0.000 -0.072 21.375) 21.375 5.008 ( 0.000 4.002 9.221) 10.052 5.143 ( 0.000 7.012 2.383) 7.406 5.308 ( 0.000 3.481 -9.128) 9.769 5.409 ( 0.000 -4.868 7.312) 8.785 5.743 ( 0.000 -0.420 -24.587) 24.590 5.799 ( 0.000 -4.451 -13.225) 13.954 6.188 ( 0.000 -6.476 1.356) 6.616 6.290 ( 0.000 -5.939 -9.353) 11.079 6.596 ( 0.000 7.434 -0.561) 7.456 6.605 ( 0.000 3.782 -1.350) 4.016 7.015 ( 0.000 -2.740 4.765) 5.497 7.111 ( 0.000 -5.999 -4.504) 7.502 8.127 ( 0.000 0.261 -0.994) 1.028 8.138 ( 0.000 -0.252 -2.105) 2.120 9.132 ( 0.000 2.288 5.009) 5.507 9.173 ( 0.000 0.466 1.122) 1.215 10.309 ( 0.000 -1.843 4.278) 4.658 10.338 ( 0.000 -3.266 1.303) 3.517 10.964 ( 0.000 16.123 5.624) 17.075 11.072 ( 0.000 13.509 -5.382) 14.542 11.577 ( 0.000 2.110 7.781) 8.062 11.700 ( 0.000 -7.813 0.506) 7.829 11.770 ( 0.000 0.617 -8.881) 8.903 11.800 ( 0.000 -4.903 -7.504) 8.964 12.288 ( 0.000 0.087 0.215) 0.232 12.346 ( 0.000 -3.012 -4.994) 5.832 12.906 ( 0.000 4.016 11.436) 12.121 13.110 ( 0.000 -4.879 -6.758) 8.335 13.722 ( 0.000 6.160 18.563) 19.559 13.881 ( 0.000 7.330 2.180) 7.647 14.171 ( 0.000 -2.398 0.368) 2.426 14.258 ( 0.000 -14.630 9.856) 17.640 14.396 ( 0.000 4.515 -17.548) 18.120 14.602 ( 0.000 -4.395 -18.973) 19.476 15.158 ( 0.000 -4.739 0.893) 4.823 15.188 ( 0.000 -4.730 -2.035) 5.149 16.086 ( 0.000 0.787 4.589) 4.656 16.107 ( 0.000 -0.063 2.527) 2.528 17.694 ( 0.000 -0.173 5.129) 5.132 17.760 ( 0.000 -2.914 -1.596) 3.322 18.130 ( 0.000 2.094 1.090) 2.361 18.146 ( 0.000 1.027 -0.331) 1.080 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 5.665 12.920 -0.951) 14.140 1.650 ( 5.131 14.004 -3.072) 15.228 2.026 ( 0.321 3.193 14.714) 15.059 2.277 ( -2.256 -0.063 10.175) 10.423 2.359 ( 0.475 -0.831 -10.873) 10.915 2.508 ( 0.850 1.584 0.742) 1.945 2.577 ( 1.543 2.279 -2.689) 3.848 2.713 ( -3.726 -7.962 -3.443) 9.441 2.913 ( 3.625 -0.834 -5.579) 6.705 2.948 ( 0.122 -1.436 -3.575) 3.855 3.255 ( 1.238 -10.128 6.149) 11.913 3.443 ( -1.123 -8.590 -10.028) 13.252 4.033 ( 3.395 14.970 4.610) 16.028 4.139 ( 0.580 11.229 -5.918) 12.706 4.442 ( -14.898 4.233 11.735) 19.431 4.597 ( -7.506 -1.866 -0.748) 7.771 4.840 ( -0.869 -3.690 5.525) 6.700 4.893 ( -6.253 2.185 15.152) 16.536 4.960 ( -1.056 1.016 -6.126) 6.299 5.209 ( -8.663 -3.434 -11.088) 14.484 5.327 ( 11.756 3.634 9.636) 15.629 5.439 ( 0.447 -3.004 10.115) 10.561 5.773 ( 1.589 1.008 -14.149) 14.273 5.813 ( -2.232 0.073 -15.501) 15.661 6.075 ( -4.377 -5.705 3.407) 7.957 6.185 ( -1.317 -5.720 -7.564) 9.574 6.660 ( 2.140 1.941 -0.449) 2.924 6.684 ( 2.923 3.111 -3.244) 5.362 7.198 ( 15.762 0.736 4.878) 16.516 7.292 ( 15.506 -2.951 -4.329) 16.367 8.190 ( 6.022 0.683 -0.265) 6.066 8.220 ( 7.237 -0.617 -3.218) 7.945 9.110 ( -1.682 2.132 6.728) 7.255 9.184 ( 0.285 -1.157 -0.415) 1.262 10.200 ( -9.828 -2.143 3.878) 10.780 10.224 ( -10.258 -3.343 1.378) 10.877 11.007 ( 3.902 15.607 6.148) 17.222 11.120 ( 4.350 12.990 -5.293) 14.686 11.583 ( 0.239 2.764 6.297) 6.881 11.731 ( 1.400 -5.593 1.453) 5.946 11.738 ( -2.390 -0.558 -8.575) 8.919 11.819 ( 1.372 -6.764 -7.014) 9.840 12.255 ( -2.841 -0.053 0.697) 2.925 12.317 ( -2.503 -2.988 -5.056) 6.385 12.843 ( -3.989 6.826 9.750) 12.553 13.047 ( -4.471 -1.339 -8.842) 9.998 13.802 ( 4.458 2.099 9.212) 10.447 13.890 ( -0.854 0.345 -1.786) 2.009 14.169 ( 5.159 -1.558 10.505) 11.807 14.344 ( 7.789 -10.953 8.308) 15.800 14.538 ( 10.451 4.309 -9.586) 14.822 14.751 ( 11.580 -4.490 -16.547) 20.690 15.140 ( 0.347 -2.111 3.619) 4.204 15.248 ( 4.082 -5.489 -6.930) 9.737 16.073 ( -1.050 0.617 4.720) 4.875 16.105 ( -0.216 -0.927 1.423) 1.712 17.647 ( -4.143 0.069 5.012) 6.503 17.714 ( -4.039 -2.725 -1.828) 5.204 18.094 ( -3.347 2.163 0.558) 4.025 18.103 ( -3.923 1.498 -0.230) 4.206 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 4.281 16.587 -0.380) 17.134 1.770 ( 5.226 19.419 -1.243) 20.149 2.040 ( 1.296 2.874 9.326) 9.845 2.224 ( -2.527 4.042 -2.115) 5.215 2.395 ( 2.892 -7.502 4.985) 9.460 2.540 ( 3.021 -4.534 -3.035) 6.237 2.586 ( -0.858 -4.498 0.323) 4.590 2.634 ( -2.530 -12.439 -2.552) 12.948 2.916 ( 1.105 -0.354 1.942) 2.262 3.044 ( 3.717 4.545 -6.304) 8.615 3.288 ( 1.706 -8.402 -0.174) 8.575 3.374 ( -4.839 -7.058 -6.616) 10.817 4.025 ( -9.386 9.332 7.055) 14.998 4.086 ( -7.181 6.481 4.038) 10.482 4.226 ( -2.108 12.337 2.220) 12.711 4.442 ( -5.514 3.220 -9.610) 11.538 4.669 ( -8.755 1.348 7.705) 11.740 4.827 ( -3.685 -6.033 -2.556) 7.517 5.061 ( 5.833 -2.103 -3.755) 7.249 5.075 ( 3.718 -3.038 -5.939) 7.637 5.361 ( -7.066 -0.901 7.524) 10.361 5.500 ( -1.127 3.407 -2.242) 4.231 5.632 ( -3.459 -2.446 3.991) 5.820 5.849 ( 1.565 -2.487 -12.359) 12.703 6.135 ( 8.272 -1.226 7.676) 11.351 6.284 ( 7.428 -5.364 -6.102) 11.008 6.666 ( -1.302 1.959 0.706) 2.456 6.696 ( -1.087 2.765 -2.441) 3.845 7.587 ( 18.941 5.681 4.539) 20.289 7.668 ( 18.072 2.473 -3.488) 18.571 8.374 ( 10.975 0.706 0.899) 11.034 8.431 ( 12.239 -1.780 -4.539) 13.174 9.064 ( -2.554 -0.068 7.882) 8.286 9.164 ( -2.369 -4.179 -1.733) 5.107 9.921 ( -15.747 -2.880 2.932) 16.274 9.937 ( -15.798 -3.578 1.146) 16.239 11.119 ( 6.159 14.579 7.233) 17.401 11.244 ( 6.834 12.225 -5.209) 14.943 11.572 ( -1.382 2.968 3.432) 4.743 11.669 ( -2.872 1.116 -6.189) 6.914 11.741 ( -0.906 -7.084 1.654) 7.330 11.830 ( -0.847 -8.180 -6.532) 10.502 12.167 ( -5.829 -0.472 1.837) 6.130 12.247 ( -4.241 -3.509 -5.782) 7.983 12.816 ( 2.184 12.407 5.326) 13.678 12.979 ( -1.143 8.075 -10.276) 13.119 13.837 ( -0.320 -9.042 0.230) 9.051 13.870 ( -0.330 -10.591 -2.712) 10.938 14.364 ( 10.948 3.751 14.879) 18.850 14.576 ( 11.289 -4.349 0.281) 12.101 14.774 ( 11.898 0.275 6.586) 13.602 14.961 ( 5.752 -6.323 -1.733) 8.722 15.238 ( 9.696 1.255 -3.551) 10.402 15.346 ( 5.144 -2.994 -9.636) 11.325 16.048 ( -1.269 -0.903 4.661) 4.914 16.101 ( -0.156 -3.536 -0.903) 3.653 17.542 ( -4.887 1.288 4.420) 6.714 17.612 ( -4.765 -1.591 -2.678) 5.693 17.983 ( -7.126 2.351 -0.008) 7.504 17.992 ( -6.269 2.214 -0.998) 6.723 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.133 22.585 4.139) 22.961 1.828 ( -0.162 25.900 0.894) 25.916 2.091 ( 3.256 4.081 0.553) 5.250 2.180 ( -1.316 4.990 -5.388) 7.461 2.476 ( 3.665 -11.850 11.239) 16.738 2.564 ( -1.185 -11.607 3.082) 12.068 2.619 ( 4.347 -9.295 -0.517) 10.274 2.649 ( 3.062 -9.428 -3.502) 10.513 2.966 ( 3.338 3.125 -0.415) 4.592 3.066 ( -1.409 4.561 -7.258) 8.687 3.282 ( -2.426 -6.255 0.220) 6.712 3.314 ( -0.290 -4.436 -2.609) 5.155 3.827 ( -4.634 0.933 6.014) 7.650 3.928 ( -6.042 -1.818 1.525) 6.491 4.066 ( -12.006 4.255 -4.250) 13.428 4.230 ( -14.502 -1.134 -15.442) 21.214 4.685 ( 8.061 7.355 8.086) 13.582 4.843 ( 6.378 2.091 -6.825) 9.572 5.115 ( -6.205 5.818 7.157) 11.116 5.218 ( 4.749 6.139 0.679) 7.791 5.284 ( -2.453 -6.699 -4.827) 8.613 5.352 ( 1.833 0.246 -6.903) 7.147 5.665 ( 1.573 -5.416 8.251) 9.994 5.844 ( -2.585 -7.525 -8.346) 11.531 6.334 ( 9.385 2.953 6.985) 12.066 6.432 ( 5.975 -2.219 -2.218) 6.749 6.619 ( -2.754 1.690 2.406) 4.029 6.646 ( -3.705 2.225 -0.220) 4.327 7.944 ( 13.669 11.722 4.137) 18.476 8.003 ( 12.177 10.660 -1.704) 16.273 8.636 ( 12.909 -2.664 3.497) 13.637 8.716 ( 13.541 -5.002 -4.000) 14.979 9.016 ( -1.090 -3.140 4.932) 5.947 9.087 ( -4.142 -6.495 -1.526) 7.853 9.561 ( -17.126 -3.599 2.197) 17.638 9.587 ( -16.548 -4.426 -0.415) 17.135 11.244 ( 5.154 13.362 6.648) 15.789 11.360 ( 2.069 12.371 -4.629) 13.369 11.556 ( 1.692 1.643 3.798) 4.471 11.644 ( 0.109 -0.578 -5.056) 5.090 11.718 ( -0.167 -7.235 1.691) 7.432 11.811 ( 0.538 -5.944 -6.719) 8.987 12.010 ( -8.288 -0.389 1.999) 8.534 12.119 ( -7.808 -4.359 -7.742) 11.828 12.906 ( 4.941 17.619 0.937) 18.323 12.988 ( 1.010 17.015 -7.287) 18.537 13.838 ( 0.639 -17.454 -0.338) 17.469 13.865 ( -0.248 -16.606 -3.067) 16.889 14.583 ( 9.410 5.483 11.658) 15.953 14.751 ( 4.994 1.376 -4.223) 6.684 14.969 ( 3.123 -5.297 8.797) 10.733 15.035 ( 2.704 -6.156 2.781) 7.276 15.444 ( 9.437 2.765 0.427) 9.843 15.527 ( 11.310 -0.191 -6.177) 12.889 16.005 ( -3.153 -5.263 5.342) 8.135 16.076 ( -3.068 -7.624 -1.805) 8.414 17.484 ( 0.341 4.107 2.635) 4.892 17.551 ( -0.384 1.636 -4.033) 4.370 17.811 ( -8.416 2.345 -0.035) 8.737 17.839 ( -7.713 1.575 -2.808) 8.358 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -1.370 27.127 4.031) 27.459 1.800 ( 1.370 27.127 4.031) 27.459 2.152 ( -1.982 5.328 -3.999) 6.950 2.152 ( 1.982 5.328 -3.999) 6.950 2.533 ( -1.908 -12.164 7.190) 14.258 2.533 ( 1.908 -12.164 7.190) 14.258 2.687 ( -0.551 -10.955 -1.313) 11.047 2.687 ( 0.551 -10.955 -1.313) 11.047 3.026 ( -1.947 4.735 -2.880) 5.874 3.026 ( 1.947 4.735 -2.880) 5.874 3.281 ( -1.916 -3.339 1.444) 4.112 3.281 ( 1.916 -3.339 1.444) 4.112 3.853 ( -5.906 -1.683 -1.690) 6.369 3.853 ( 5.906 -1.683 -1.690) 6.369 3.949 ( -9.048 -5.437 -9.567) 14.247 3.949 ( 9.048 -5.437 -9.567) 14.247 4.885 ( -8.841 9.980 5.417) 14.391 4.885 ( 8.841 9.980 5.417) 14.391 5.064 ( -8.797 5.308 -5.777) 11.787 5.064 ( 8.797 5.308 -5.777) 11.787 5.391 ( -4.323 -2.679 2.054) 5.485 5.391 ( 4.323 -2.679 2.054) 5.485 5.740 ( -6.058 -7.737 -2.973) 10.266 5.740 ( 6.058 -7.737 -2.973) 10.266 6.497 ( -3.665 6.162 2.164) 7.489 6.497 ( 3.665 6.162 2.164) 7.489 6.568 ( -0.726 -3.041 2.607) 4.071 6.568 ( 0.726 -3.041 2.607) 4.071 8.122 ( -1.899 16.437 1.932) 16.659 8.122 ( 1.899 16.437 1.932) 16.659 8.846 ( -4.524 -14.358 3.697) 15.501 8.846 ( 4.524 -14.358 3.697) 15.501 9.060 ( -2.505 3.997 -1.869) 5.074 9.060 ( 2.505 3.997 -1.869) 5.074 9.319 ( -2.148 -7.484 -0.259) 7.790 9.319 ( 2.148 -7.484 -0.259) 7.790 11.331 ( -3.191 11.732 1.615) 12.265 11.331 ( 3.191 11.732 1.615) 12.265 11.620 ( -2.499 -1.718 -0.145) 3.036 11.620 ( 2.499 -1.718 -0.145) 3.036 11.790 ( -6.012 -1.065 1.134) 6.210 11.790 ( 6.012 -1.065 1.134) 6.210 11.949 ( -6.324 -4.849 -7.854) 11.189 11.949 ( 6.324 -4.849 -7.854) 11.189 12.984 ( -1.919 19.967 -3.104) 20.298 12.984 ( 1.919 19.967 -3.104) 20.298 13.855 ( -0.719 -19.404 -1.629) 19.486 13.855 ( 0.719 -19.404 -1.629) 19.486 14.750 ( -5.294 5.126 6.293) 9.691 14.750 ( 5.294 5.126 6.293) 9.691 15.018 ( -3.166 -6.679 -0.441) 7.405 15.018 ( 3.166 -6.679 -0.441) 7.405 15.640 ( -4.596 3.941 2.099) 6.408 15.640 ( 4.596 3.941 2.099) 6.408 15.978 ( -3.622 -11.263 1.787) 11.966 15.978 ( 3.622 -11.263 1.787) 11.966 17.546 ( -3.181 6.935 -1.102) 7.709 17.546 ( 3.181 6.935 -1.102) 7.709 17.708 ( -2.148 -0.559 -2.552) 3.382 17.708 ( 2.148 -0.559 -2.552) 3.382 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.000 -1.893 0.947) 2.117 1.737 ( 0.000 1.893 0.947) 2.117 2.111 ( 0.000 -7.855 11.551) 13.968 2.111 ( 0.000 7.855 11.551) 13.968 2.520 ( 0.000 -5.179 -13.709) 14.655 2.520 ( 0.000 5.179 -13.709) 14.655 2.670 ( 0.000 -9.976 2.829) 10.369 2.670 ( 0.000 9.976 2.829) 10.369 2.850 ( 0.000 -5.809 3.119) 6.593 2.850 ( 0.000 5.809 3.119) 6.593 3.208 ( 0.000 -9.950 -9.842) 13.996 3.208 ( 0.000 9.950 -9.842) 13.996 4.273 ( 0.000 -5.257 -1.180) 5.388 4.273 ( 0.000 5.257 -1.180) 5.388 4.559 ( 0.000 -2.216 -2.211) 3.130 4.559 ( 0.000 2.216 -2.211) 3.130 4.911 ( 0.000 -1.567 12.047) 12.149 4.911 ( 0.000 1.567 12.047) 12.149 5.192 ( 0.000 -7.456 17.160) 18.710 5.192 ( 0.000 7.456 17.160) 18.710 5.331 ( 0.000 -0.683 1.939) 2.055 5.331 ( 0.000 0.683 1.939) 2.055 5.747 ( 0.000 -0.478 -23.078) 23.083 5.747 ( 0.000 0.478 -23.078) 23.083 6.118 ( 0.000 -4.066 -4.789) 6.282 6.118 ( 0.000 4.066 -4.789) 6.282 6.726 ( 0.000 -0.841 -1.616) 1.822 6.726 ( 0.000 0.841 -1.616) 1.822 6.986 ( 0.000 -3.258 0.103) 3.260 6.986 ( 0.000 3.258 0.103) 3.260 8.133 ( 0.000 -0.264 -1.604) 1.626 8.133 ( 0.000 0.264 -1.604) 1.626 9.168 ( 0.000 -1.054 3.623) 3.773 9.168 ( 0.000 1.054 3.623) 3.773 10.295 ( 0.000 -0.707 2.497) 2.595 10.295 ( 0.000 0.707 2.497) 2.595 11.222 ( 0.000 -3.968 0.016) 3.968 11.222 ( 0.000 3.968 0.016) 3.968 11.570 ( 0.000 -0.983 1.473) 1.772 11.570 ( 0.000 0.983 1.473) 1.772 11.761 ( 0.000 -0.781 -4.016) 4.091 11.761 ( 0.000 0.781 -4.016) 4.091 12.301 ( 0.000 -1.236 -2.944) 3.193 12.301 ( 0.000 1.236 -2.944) 3.193 12.994 ( 0.000 -5.282 2.181) 5.714 12.994 ( 0.000 5.282 2.181) 5.714 13.948 ( 0.000 -14.394 13.433) 19.688 13.948 ( 0.000 14.394 13.433) 19.688 14.054 ( 0.000 -8.192 2.093) 8.456 14.054 ( 0.000 8.192 2.093) 8.456 14.502 ( 0.000 -5.354 -18.885) 19.629 14.502 ( 0.000 5.354 -18.885) 19.629 15.119 ( 0.000 -1.207 -0.955) 1.539 15.119 ( 0.000 1.207 -0.955) 1.539 16.101 ( 0.000 -0.565 3.651) 3.695 16.101 ( 0.000 0.565 3.651) 3.695 17.709 ( 0.000 -1.725 1.936) 2.593 17.709 ( 0.000 1.725 1.936) 2.593 18.155 ( 0.000 -0.311 0.420) 0.523 18.155 ( 0.000 0.311 0.420) 0.523 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.814 ( 6.780 -1.983 1.770) 7.282 1.814 ( 6.780 1.983 1.770) 7.282 2.128 ( 1.359 -8.298 12.071) 14.711 2.128 ( 1.359 8.298 12.071) 14.711 2.470 ( -3.751 -6.470 -13.449) 15.389 2.470 ( -3.751 6.470 -13.449) 15.389 2.602 ( -5.501 -2.310 -1.856) 6.248 2.602 ( -5.501 2.310 -1.856) 6.248 2.907 ( 4.456 -5.138 7.766) 10.323 2.907 ( 4.456 5.138 7.766) 10.323 3.237 ( 1.653 -8.484 -10.504) 13.603 3.237 ( 1.653 8.484 -10.504) 13.603 4.317 ( 3.317 -6.429 -0.161) 7.236 4.317 ( 3.317 6.429 -0.161) 7.236 4.475 ( -8.616 -7.329 1.669) 11.434 4.475 ( -8.616 7.329 1.669) 11.434 4.818 ( -2.933 -2.620 9.873) 10.627 4.818 ( -2.933 2.620 9.873) 10.627 5.107 ( -10.554 -6.661 -7.757) 14.694 5.107 ( -10.554 6.661 -7.757) 14.694 5.394 ( 6.448 -2.130 15.979) 17.362 5.394 ( 6.448 2.130 15.979) 17.362 5.797 ( -0.561 -2.262 -14.219) 14.409 5.797 ( -0.561 2.262 -14.219) 14.409 6.030 ( -1.272 -4.862 -5.565) 7.498 6.030 ( -1.272 4.862 -5.565) 7.498 6.731 ( 0.266 -1.328 -1.254) 1.846 6.731 ( 0.266 1.328 -1.254) 1.846 7.224 ( 18.864 -2.633 -0.274) 19.049 7.224 ( 18.864 2.633 -0.274) 19.049 8.206 ( 6.608 -0.766 -1.743) 6.876 8.206 ( 6.608 0.766 -1.743) 6.876 9.153 ( -1.641 -1.883 3.677) 4.446 9.153 ( -1.641 1.883 3.677) 4.446 10.181 ( -10.233 -0.580 2.319) 10.509 10.181 ( -10.233 0.580 2.319) 10.509 11.258 ( 3.429 -4.314 0.659) 5.550 11.258 ( 3.429 4.314 0.659) 5.550 11.603 ( 2.106 -3.227 0.387) 3.873 11.603 ( 2.106 3.227 0.387) 3.873 11.744 ( -1.644 -1.205 -3.435) 3.994 11.744 ( -1.644 1.205 -3.435) 3.994 12.269 ( -2.792 -1.502 -2.622) 4.115 12.269 ( -2.792 1.502 -2.622) 4.115 12.968 ( -0.866 -5.502 1.071) 5.672 12.968 ( -0.866 5.502 1.071) 5.672 13.884 ( -6.745 -3.298 -3.382) 8.235 13.884 ( -6.745 3.298 -3.382) 8.235 14.165 ( 11.851 -3.967 16.542) 20.732 14.165 ( 11.851 3.967 16.542) 20.732 14.645 ( 10.334 -5.605 -12.982) 17.514 14.645 ( 10.334 5.605 -12.982) 17.514 15.151 ( 3.472 -3.167 -3.359) 5.776 15.151 ( 3.472 3.167 -3.359) 5.776 16.087 ( -1.252 -0.774 3.188) 3.512 16.087 ( -1.252 0.774 3.188) 3.512 17.666 ( -3.785 -1.756 1.763) 4.530 17.666 ( -3.785 1.756 1.763) 4.530 18.119 ( -3.407 -0.174 0.192) 3.417 18.119 ( -3.407 0.174 0.192) 3.417 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.991 ( 8.843 -2.775 5.169) 10.612 1.991 ( 8.843 2.775 5.169) 10.612 2.162 ( 2.011 -8.254 9.479) 12.729 2.162 ( 2.011 8.254 9.479) 12.729 2.403 ( -2.140 -6.945 -10.996) 13.180 2.403 ( -2.140 6.945 -10.996) 13.180 2.484 ( -4.609 -1.600 -3.276) 5.877 2.484 ( -4.609 1.600 -3.276) 5.877 2.999 ( 3.829 -6.981 7.775) 11.129 2.999 ( 3.829 6.981 7.775) 11.129 3.247 ( -0.863 -4.767 -10.748) 11.789 3.247 ( -0.863 4.767 -10.748) 11.789 4.147 ( -14.913 -1.561 9.734) 17.877 4.147 ( -14.913 1.561 9.734) 17.877 4.452 ( -1.926 -5.731 -8.344) 10.304 4.452 ( -1.926 5.731 -8.344) 10.304 4.716 ( -4.398 -4.177 2.612) 6.604 4.716 ( -4.398 4.177 2.612) 6.604 5.017 ( 5.430 -0.719 -7.824) 9.551 5.017 ( 5.430 0.719 -7.824) 9.551 5.469 ( -1.044 -8.735 12.264) 15.093 5.469 ( -1.044 8.735 12.264) 15.093 5.680 ( -5.379 -10.252 -7.627) 13.864 5.680 ( -5.379 10.252 -7.627) 13.864 6.168 ( 10.070 -4.136 -1.933) 11.056 6.168 ( 10.070 4.136 -1.933) 11.056 6.724 ( -1.236 -1.302 -0.302) 1.821 6.724 ( -1.236 1.302 -0.302) 1.821 7.674 ( 22.073 -2.199 0.130) 22.183 7.674 ( 22.073 2.199 0.130) 22.183 8.396 ( 10.762 -1.444 -1.843) 11.014 8.396 ( 10.762 1.444 -1.843) 11.014 9.090 ( -4.368 -2.644 3.544) 6.215 9.090 ( -4.368 2.644 3.544) 6.215 9.893 ( -16.053 -0.426 1.648) 16.143 9.893 ( -16.053 0.426 1.648) 16.143 11.365 ( 6.347 -5.589 2.234) 8.747 11.365 ( 6.347 5.589 2.234) 8.747 11.615 ( -1.371 -4.176 -1.356) 4.599 11.615 ( -1.371 4.176 -1.356) 4.599 11.699 ( -2.196 -2.658 -3.635) 5.010 11.699 ( -2.196 2.658 -3.635) 5.010 12.185 ( -5.326 -2.164 -1.731) 6.003 12.185 ( -5.326 2.164 -1.731) 6.003 13.022 ( 6.460 -5.337 -0.751) 8.413 13.022 ( 6.460 5.337 -0.751) 8.413 13.731 ( -7.080 -1.385 -4.711) 8.616 13.731 ( -7.080 1.385 -4.711) 8.616 14.458 ( 13.751 -5.581 12.856) 19.635 14.458 ( 13.751 5.581 12.856) 19.635 14.842 ( 7.331 -5.045 -0.869) 8.941 14.842 ( 7.331 5.045 -0.869) 8.941 15.282 ( 8.677 -2.886 -7.397) 11.762 15.282 ( 8.677 2.886 -7.397) 11.762 16.049 ( -2.416 -1.274 2.012) 3.393 16.049 ( -2.416 1.274 2.012) 3.393 17.576 ( -3.767 -1.840 1.016) 4.313 17.576 ( -3.767 1.840 1.016) 4.313 18.012 ( -6.556 -0.302 -0.472) 6.580 18.012 ( -6.556 0.302 -0.472) 6.580 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.144 ( 5.287 -8.914 10.852) 15.006 2.144 ( 5.287 8.914 10.852) 15.006 2.232 ( 3.979 -3.846 2.638) 6.130 2.232 ( 3.979 3.846 2.638) 6.130 2.366 ( -1.134 -10.216 -6.570) 12.199 2.366 ( -1.134 10.216 -6.570) 12.199 2.430 ( -1.240 -6.927 -1.105) 7.123 2.430 ( -1.240 6.927 -1.105) 7.123 3.079 ( 3.998 -6.477 2.651) 8.060 3.079 ( 3.998 6.477 2.651) 8.060 3.211 ( -2.159 -4.326 -7.937) 9.293 3.211 ( -2.159 4.326 -7.937) 9.293 3.877 ( -8.496 -2.937 6.062) 10.843 3.877 ( -8.496 2.937 6.062) 10.843 4.162 ( -17.585 -4.615 -11.963) 21.763 4.162 ( -17.585 4.615 -11.963) 21.763 4.855 ( 11.071 -5.394 1.332) 12.387 4.855 ( 11.071 5.394 1.332) 12.387 5.164 ( 3.879 -3.061 -2.146) 5.387 5.164 ( 3.879 3.061 -2.146) 5.387 5.395 ( -1.576 -10.302 2.959) 10.834 5.395 ( -1.576 10.302 2.959) 10.834 5.603 ( -3.663 -11.328 -3.292) 12.352 5.603 ( -3.663 11.328 -3.292) 12.352 6.379 ( 9.261 -2.056 2.415) 9.789 6.379 ( 9.261 2.056 2.415) 9.789 6.669 ( -4.063 -1.127 1.181) 4.379 6.669 ( -4.063 1.127 1.181) 4.379 8.126 ( 19.995 -2.394 1.368) 20.184 8.126 ( 19.995 2.394 1.368) 20.184 8.607 ( 5.759 -2.759 -0.058) 6.386 8.607 ( 5.759 2.759 -0.058) 6.386 8.999 ( -1.235 -1.619 1.601) 2.590 8.999 ( -1.235 1.619 1.601) 2.590 9.529 ( -17.644 -0.746 0.419) 17.665 9.529 ( -17.644 0.746 0.419) 17.665 11.494 ( 4.088 -9.381 3.940) 10.965 11.494 ( 4.088 9.381 3.940) 10.965 11.570 ( -2.135 -5.132 -1.746) 5.826 11.570 ( -2.135 5.132 -1.746) 5.826 11.685 ( 2.829 -4.379 -5.410) 7.513 11.685 ( 2.829 4.379 -5.410) 7.513 12.037 ( -8.563 -3.066 -1.361) 9.197 12.037 ( -8.563 3.066 -1.361) 9.197 13.214 ( 10.397 -4.565 -1.700) 11.482 13.214 ( 10.397 4.565 -1.700) 11.482 13.584 ( -6.991 -2.910 -3.666) 8.413 13.584 ( -6.991 2.910 -3.666) 8.413 14.705 ( 9.504 -5.625 5.677) 12.417 14.705 ( 9.504 5.625 5.677) 12.417 14.938 ( 0.932 -2.814 3.838) 4.849 14.938 ( 0.932 2.814 3.838) 4.849 15.503 ( 12.071 -2.425 -2.647) 12.593 15.503 ( 12.071 2.425 -2.647) 12.593 15.965 ( -6.203 -2.118 1.446) 6.712 15.965 ( -6.203 2.118 1.446) 6.712 17.549 ( 2.012 -1.834 -0.561) 2.780 17.549 ( 2.012 1.834 -0.561) 2.780 17.847 ( -8.763 -0.842 -1.335) 8.904 17.847 ( -8.763 0.842 -1.335) 8.904 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -2.695 -14.837 7.430) 16.811 2.238 ( 2.397 -14.824 7.430) 16.754 2.238 ( -2.397 14.824 7.430) 16.754 2.238 ( 2.695 14.837 7.430) 16.811 2.391 ( -2.496 -15.245 -3.215) 15.779 2.391 ( 2.472 -15.244 -3.215) 15.774 2.391 ( -2.471 15.244 -3.215) 15.774 2.391 ( 2.496 15.245 -3.215) 15.779 3.158 ( -2.578 -7.296 -1.558) 7.893 3.158 ( 2.013 -7.251 -1.558) 7.685 3.158 ( -2.013 7.251 -1.558) 7.685 3.158 ( 2.578 7.296 -1.558) 7.893 3.866 ( -8.006 -2.524 -5.903) 10.262 3.866 ( -7.563 2.155 -5.903) 9.833 3.866 ( 7.563 -2.155 -5.903) 9.833 3.866 ( 8.006 2.524 -5.903) 10.262 5.077 ( -8.948 -5.878 1.661) 10.834 5.077 ( 5.940 -4.833 1.661) 7.836 5.077 ( -5.940 4.833 1.661) 7.836 5.077 ( 8.948 5.878 1.661) 10.834 5.490 ( -5.469 -12.619 -2.362) 13.954 5.490 ( 3.517 -12.444 -2.362) 13.145 5.490 ( -3.517 12.444 -2.362) 13.145 5.490 ( 5.469 12.619 -2.362) 13.954 6.551 ( -6.898 -0.107 2.680) 7.401 6.551 ( -6.896 0.075 2.680) 7.399 6.551 ( 6.896 -0.075 2.680) 7.399 6.551 ( 6.898 0.107 2.680) 7.401 8.496 ( -6.740 -17.763 2.445) 19.155 8.496 ( -2.558 -17.487 2.445) 17.841 8.496 ( 2.558 17.487 2.445) 17.841 8.496 ( 6.740 17.763 2.445) 19.155 9.172 ( -11.822 -4.653 -0.785) 12.729 9.172 ( -10.728 -3.935 -0.785) 11.454 9.172 ( 10.728 3.935 -0.785) 11.454 9.172 ( 11.822 4.653 -0.785) 12.729 11.532 ( -1.192 -7.091 0.122) 7.192 11.532 ( 1.161 -7.090 0.122) 7.185 11.532 ( -1.161 7.090 0.122) 7.185 11.532 ( 1.192 7.091 0.122) 7.192 11.837 ( -8.932 -4.757 -2.465) 10.416 11.837 ( -2.585 -2.086 -2.465) 4.137 11.837 ( 2.585 2.086 -2.465) 4.137 11.837 ( 8.932 4.757 -2.465) 10.416 13.421 ( -3.049 -21.648 -2.532) 22.008 13.421 ( -0.208 -21.594 -2.532) 21.743 13.421 ( 0.208 21.594 -2.532) 21.743 13.421 ( 3.049 21.648 -2.532) 22.008 14.874 ( -5.001 -6.593 3.182) 8.866 14.874 ( 1.183 -6.129 3.182) 7.006 14.874 ( -1.183 6.129 3.182) 7.006 14.874 ( 5.001 6.593 3.182) 8.866 15.770 ( -8.770 -7.572 1.456) 11.677 15.770 ( -4.161 -6.514 1.456) 7.865 15.770 ( 4.161 6.514 1.456) 7.865 15.770 ( 8.770 7.572 1.456) 11.677 17.662 ( -6.497 -3.323 -1.658) 7.484 17.662 ( -4.398 -2.308 -1.658) 5.236 17.662 ( 4.398 2.308 -1.658) 5.236 17.662 ( 6.497 3.323 -1.658) 7.484 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 315.011 453.231 368.755 0.000 0.000 -0.000 3/25920 20.0 75.036 70.461 61.097 0.000 0.000 -0.000 3/25920 30.0 34.503 30.713 27.254 0.000 0.000 -0.000 3/25920 40.0 20.708 18.067 16.355 0.000 0.000 -0.000 3/25920 50.0 14.382 12.400 11.414 0.000 0.000 -0.000 3/25920 60.0 10.947 9.354 8.728 0.000 0.000 -0.000 3/25920 70.0 8.848 7.507 7.079 0.000 0.000 -0.000 3/25920 80.0 7.450 6.288 5.975 0.000 0.000 -0.000 3/25920 90.0 6.456 5.429 5.187 0.000 0.000 -0.000 3/25920 100.0 5.712 4.793 4.597 0.000 0.000 -0.000 3/25920 110.0 5.134 4.304 4.138 0.000 0.000 -0.000 3/25920 120.0 4.671 3.914 3.771 0.000 0.000 -0.000 3/25920 130.0 4.291 3.597 3.470 0.000 0.000 -0.000 3/25920 140.0 3.973 3.332 3.218 0.000 0.000 -0.000 3/25920 150.0 3.701 3.107 3.003 0.000 0.000 -0.000 3/25920 160.0 3.467 2.913 2.818 0.000 0.000 -0.000 3/25920 170.0 3.263 2.744 2.657 0.000 0.000 -0.000 3/25920 180.0 3.083 2.595 2.514 0.000 0.000 -0.000 3/25920 190.0 2.923 2.462 2.387 0.000 0.000 -0.000 3/25920 200.0 2.779 2.343 2.273 0.000 0.000 -0.000 3/25920 210.0 2.650 2.235 2.170 0.000 0.000 -0.000 3/25920 220.0 2.532 2.137 2.076 0.000 0.000 -0.000 3/25920 230.0 2.425 2.048 1.991 0.000 0.000 -0.000 3/25920 240.0 2.327 1.966 1.912 0.000 0.000 -0.000 3/25920 250.0 2.236 1.891 1.840 0.000 0.000 -0.000 3/25920 260.0 2.153 1.821 1.773 0.000 0.000 -0.000 3/25920 270.0 2.076 1.756 1.711 0.000 0.000 -0.000 3/25920 280.0 2.004 1.696 1.653 0.000 0.000 -0.000 3/25920 290.0 1.937 1.640 1.599 0.000 0.000 -0.000 3/25920 300.0 1.874 1.587 1.548 0.000 0.000 -0.000 3/25920 310.0 1.816 1.538 1.501 0.000 0.000 -0.000 3/25920 320.0 1.760 1.492 1.456 0.000 0.000 -0.000 3/25920 330.0 1.709 1.448 1.414 0.000 0.000 -0.000 3/25920 340.0 1.660 1.407 1.374 0.000 0.000 -0.000 3/25920 350.0 1.614 1.368 1.337 0.000 0.000 -0.000 3/25920 360.0 1.570 1.331 1.301 0.000 0.000 -0.000 3/25920 370.0 1.529 1.296 1.268 0.000 0.000 -0.000 3/25920 380.0 1.490 1.263 1.236 0.000 0.000 -0.000 3/25920 390.0 1.452 1.232 1.205 0.000 0.000 -0.000 3/25920 400.0 1.417 1.202 1.176 0.000 0.000 -0.000 3/25920 410.0 1.383 1.174 1.149 0.000 0.000 -0.000 3/25920 420.0 1.351 1.146 1.122 0.000 0.000 -0.000 3/25920 430.0 1.320 1.120 1.097 0.000 0.000 -0.000 3/25920 440.0 1.291 1.096 1.073 0.000 0.000 -0.000 3/25920 450.0 1.263 1.072 1.050 0.000 0.000 -0.000 3/25920 460.0 1.236 1.049 1.028 0.000 0.000 -0.000 3/25920 470.0 1.210 1.027 1.007 0.000 0.000 -0.000 3/25920 480.0 1.186 1.006 0.986 0.000 0.000 -0.000 3/25920 490.0 1.162 0.986 0.967 0.000 0.000 -0.000 3/25920 500.0 1.139 0.967 0.948 0.000 0.000 -0.000 3/25920 510.0 1.117 0.948 0.930 0.000 0.000 -0.000 3/25920 520.0 1.096 0.931 0.912 0.000 0.000 -0.000 3/25920 530.0 1.076 0.913 0.896 0.000 0.000 -0.000 3/25920 540.0 1.056 0.897 0.879 0.000 0.000 -0.000 3/25920 550.0 1.037 0.881 0.864 0.000 0.000 -0.000 3/25920 560.0 1.019 0.865 0.849 0.000 0.000 -0.000 3/25920 570.0 1.001 0.850 0.834 0.000 0.000 -0.000 3/25920 580.0 0.984 0.836 0.820 0.000 0.000 -0.000 3/25920 590.0 0.968 0.822 0.807 0.000 0.000 -0.000 3/25920 600.0 0.952 0.809 0.793 0.000 0.000 -0.000 3/25920 610.0 0.937 0.796 0.781 0.000 0.000 -0.000 3/25920 620.0 0.922 0.783 0.768 0.000 0.000 -0.000 3/25920 630.0 0.907 0.771 0.756 0.000 0.000 -0.000 3/25920 640.0 0.893 0.759 0.745 0.000 0.000 -0.000 3/25920 650.0 0.880 0.747 0.734 0.000 0.000 -0.000 3/25920 660.0 0.867 0.736 0.723 0.000 0.000 -0.000 3/25920 670.0 0.854 0.725 0.712 0.000 0.000 -0.000 3/25920 680.0 0.842 0.715 0.702 0.000 0.000 -0.000 3/25920 690.0 0.829 0.705 0.692 0.000 0.000 -0.000 3/25920 700.0 0.818 0.695 0.682 0.000 0.000 -0.000 3/25920 710.0 0.806 0.685 0.673 0.000 0.000 -0.000 3/25920 720.0 0.795 0.676 0.663 0.000 0.000 -0.000 3/25920 730.0 0.784 0.666 0.654 0.000 0.000 -0.000 3/25920 740.0 0.774 0.658 0.646 0.000 0.000 -0.000 3/25920 750.0 0.764 0.649 0.637 0.000 0.000 -0.000 3/25920 760.0 0.754 0.640 0.629 0.000 0.000 -0.000 3/25920 770.0 0.744 0.632 0.621 0.000 0.000 -0.000 3/25920 780.0 0.735 0.624 0.613 0.000 0.000 -0.000 3/25920 790.0 0.725 0.616 0.605 0.000 0.000 -0.000 3/25920 800.0 0.716 0.609 0.598 0.000 0.000 -0.000 3/25920 810.0 0.708 0.601 0.591 0.000 0.000 -0.000 3/25920 820.0 0.699 0.594 0.584 0.000 0.000 -0.000 3/25920 830.0 0.691 0.587 0.577 0.000 0.000 -0.000 3/25920 840.0 0.683 0.580 0.570 0.000 0.000 -0.000 3/25920 850.0 0.675 0.573 0.563 0.000 0.000 -0.000 3/25920 860.0 0.667 0.567 0.557 0.000 0.000 -0.000 3/25920 870.0 0.659 0.560 0.550 0.000 0.000 -0.000 3/25920 880.0 0.652 0.554 0.544 0.000 0.000 -0.000 3/25920 890.0 0.645 0.548 0.538 0.000 0.000 -0.000 3/25920 900.0 0.638 0.542 0.532 0.000 0.000 -0.000 3/25920 910.0 0.631 0.536 0.527 0.000 0.000 -0.000 3/25920 920.0 0.624 0.530 0.521 0.000 0.000 -0.000 3/25920 930.0 0.617 0.524 0.515 0.000 0.000 -0.000 3/25920 940.0 0.611 0.519 0.510 0.000 0.000 -0.000 3/25920 950.0 0.604 0.513 0.505 0.000 0.000 -0.000 3/25920 960.0 0.598 0.508 0.499 0.000 0.000 -0.000 3/25920 970.0 0.592 0.503 0.494 0.000 0.000 -0.000 3/25920 980.0 0.586 0.498 0.489 0.000 0.000 -0.000 3/25920 990.0 0.580 0.493 0.484 0.000 0.000 -0.000 3/25920 1000.0 0.574 0.488 0.480 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:40:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|