----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:11:19]------------------------- 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 5.691815910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.893797770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.506914720000000 Atomic positions (fractional): *1 O 0.80022472822127 0.94307334998796 0.19592819382653 15.999 2 O 0.69977527177873 0.05692665001204 0.69592819382653 15.999 3 O 0.30022472822127 0.55692665001204 0.30407180617347 15.999 4 O 0.19977527177873 0.44307334998796 0.80407180617347 15.999 5 O 0.19977527177873 0.05692665001204 0.80407180617347 15.999 6 O 0.30022472822127 0.94307334998796 0.30407180617347 15.999 7 O 0.69977527177873 0.44307334998796 0.69592819382653 15.999 8 O 0.80022472822127 0.55692665001204 0.19592819382653 15.999 *9 O 0.95742169098250 0.75000000000000 0.60871586465354 15.999 10 O 0.54257830901750 0.25000000000000 0.10871586465354 15.999 11 O 0.45742169098250 0.75000000000000 0.89128413534646 15.999 12 O 0.04257830901750 0.25000000000000 0.39128413534646 15.999 *13 Ca 0.55535158027337 0.75000000000000 0.48483493825321 40.078 14 Ca 0.94464841972663 0.25000000000000 0.98483493825321 40.078 15 Ca 0.05535158027338 0.75000000000000 0.01516506174679 40.078 16 Ca 0.44464841972662 0.25000000000000 0.51516506174679 40.078 *17 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 19 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 20 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.691815910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.893797770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.506914720000000 Atomic positions (fractional): *1 O 0.80022472822127 0.94307334998796 0.19592819382653 15.999 > 1 2 O 0.69977527177873 0.05692665001204 0.69592819382653 15.999 > 2 3 O 0.30022472822127 0.55692665001204 0.30407180617347 15.999 > 3 4 O 0.19977527177873 0.44307334998796 0.80407180617347 15.999 > 4 5 O 0.19977527177873 0.05692665001204 0.80407180617347 15.999 > 5 6 O 0.30022472822127 0.94307334998796 0.30407180617347 15.999 > 6 7 O 0.69977527177873 0.44307334998796 0.69592819382653 15.999 > 7 8 O 0.80022472822127 0.55692665001204 0.19592819382653 15.999 > 8 *9 O 0.95742169098250 0.75000000000000 0.60871586465354 15.999 > 9 10 O 0.54257830901750 0.25000000000000 0.10871586465354 15.999 > 10 11 O 0.45742169098250 0.75000000000000 0.89128413534646 15.999 > 11 12 O 0.04257830901750 0.25000000000000 0.39128413534646 15.999 > 12 *13 Ca 0.55535158027337 0.75000000000000 0.48483493825321 40.078 > 13 14 Ca 0.94464841972663 0.25000000000000 0.98483493825321 40.078 > 14 15 Ca 0.05535158027338 0.75000000000000 0.01516506174679 40.078 > 15 16 Ca 0.44464841972662 0.25000000000000 0.51516506174679 40.078 > 16 *17 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 18 19 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 19 20 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.383631820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.893797770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.013829440000000 Atomic positions (fractional): *1 O 0.40011236411064 0.94307334998796 0.09796409691327 15.999 > 1 2 O 0.90011236411064 0.94307334998796 0.09796409691327 15.999 > 1 3 O 0.40011236411064 0.94307334998796 0.59796409691327 15.999 > 1 4 O 0.90011236411064 0.94307334998796 0.59796409691327 15.999 > 1 5 O 0.34988763588936 0.05692665001204 0.34796409691327 15.999 > 2 6 O 0.84988763588936 0.05692665001204 0.34796409691327 15.999 > 2 7 O 0.34988763588936 0.05692665001204 0.84796409691327 15.999 > 2 8 O 0.84988763588936 0.05692665001204 0.84796409691327 15.999 > 2 9 O 0.15011236411064 0.55692665001204 0.15203590308673 15.999 > 3 10 O 0.65011236411064 0.55692665001204 0.15203590308673 15.999 > 3 11 O 0.15011236411064 0.55692665001204 0.65203590308673 15.999 > 3 12 O 0.65011236411064 0.55692665001204 0.65203590308673 15.999 > 3 13 O 0.09988763588936 0.44307334998796 0.40203590308673 15.999 > 4 14 O 0.59988763588936 0.44307334998796 0.40203590308673 15.999 > 4 15 O 0.09988763588936 0.44307334998796 0.90203590308673 15.999 > 4 16 O 0.59988763588936 0.44307334998796 0.90203590308673 15.999 > 4 17 O 0.09988763588936 0.05692665001204 0.40203590308673 15.999 > 5 18 O 0.59988763588936 0.05692665001204 0.40203590308673 15.999 > 5 19 O 0.09988763588936 0.05692665001204 0.90203590308673 15.999 > 5 20 O 0.59988763588936 0.05692665001204 0.90203590308673 15.999 > 5 21 O 0.15011236411064 0.94307334998796 0.15203590308673 15.999 > 6 22 O 0.65011236411064 0.94307334998796 0.15203590308673 15.999 > 6 23 O 0.15011236411064 0.94307334998796 0.65203590308673 15.999 > 6 24 O 0.65011236411064 0.94307334998796 0.65203590308673 15.999 > 6 25 O 0.34988763588936 0.44307334998796 0.34796409691327 15.999 > 7 26 O 0.84988763588936 0.44307334998796 0.34796409691327 15.999 > 7 27 O 0.34988763588936 0.44307334998796 0.84796409691327 15.999 > 7 28 O 0.84988763588936 0.44307334998796 0.84796409691327 15.999 > 7 29 O 0.40011236411064 0.55692665001204 0.09796409691327 15.999 > 8 30 O 0.90011236411064 0.55692665001204 0.09796409691327 15.999 > 8 31 O 0.40011236411064 0.55692665001204 0.59796409691327 15.999 > 8 32 O 0.90011236411064 0.55692665001204 0.59796409691327 15.999 > 8 *33 O 0.47871084549125 0.75000000000000 0.30435793232677 15.999 > 9 34 O 0.97871084549125 0.75000000000000 0.30435793232677 15.999 > 9 35 O 0.47871084549125 0.75000000000000 0.80435793232677 15.999 > 9 36 O 0.97871084549125 0.75000000000000 0.80435793232677 15.999 > 9 37 O 0.27128915450875 0.25000000000000 0.05435793232677 15.999 > 10 38 O 0.77128915450875 0.25000000000000 0.05435793232677 15.999 > 10 39 O 0.27128915450875 0.25000000000000 0.55435793232677 15.999 > 10 40 O 0.77128915450875 0.25000000000000 0.55435793232677 15.999 > 10 41 O 0.22871084549125 0.75000000000000 0.44564206767323 15.999 > 11 42 O 0.72871084549125 0.75000000000000 0.44564206767323 15.999 > 11 43 O 0.22871084549125 0.75000000000000 0.94564206767323 15.999 > 11 44 O 0.72871084549125 0.75000000000000 0.94564206767323 15.999 > 11 45 O 0.02128915450875 0.25000000000000 0.19564206767323 15.999 > 12 46 O 0.52128915450875 0.25000000000000 0.19564206767323 15.999 > 12 47 O 0.02128915450875 0.25000000000000 0.69564206767323 15.999 > 12 48 O 0.52128915450875 0.25000000000000 0.69564206767323 15.999 > 12 *49 Ca 0.27767579013669 0.75000000000000 0.24241746912661 40.078 > 13 50 Ca 0.77767579013669 0.75000000000000 0.24241746912661 40.078 > 13 51 Ca 0.27767579013669 0.75000000000000 0.74241746912661 40.078 > 13 52 Ca 0.77767579013669 0.75000000000000 0.74241746912661 40.078 > 13 53 Ca 0.47232420986331 0.25000000000000 0.49241746912661 40.078 > 14 54 Ca 0.97232420986331 0.25000000000000 0.49241746912661 40.078 > 14 55 Ca 0.47232420986331 0.25000000000000 0.99241746912661 40.078 > 14 56 Ca 0.97232420986331 0.25000000000000 0.99241746912661 40.078 > 14 57 Ca 0.02767579013669 0.75000000000000 0.00758253087339 40.078 > 15 58 Ca 0.52767579013669 0.75000000000000 0.00758253087339 40.078 > 15 59 Ca 0.02767579013669 0.75000000000000 0.50758253087339 40.078 > 15 60 Ca 0.52767579013669 0.75000000000000 0.50758253087339 40.078 > 15 61 Ca 0.22232420986331 0.25000000000000 0.25758253087339 40.078 > 16 62 Ca 0.72232420986331 0.25000000000000 0.25758253087339 40.078 > 16 63 Ca 0.22232420986331 0.25000000000000 0.75758253087339 40.078 > 16 64 Ca 0.72232420986331 0.25000000000000 0.75758253087339 40.078 > 16 *65 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 17 66 Sn 0.50000000000000 0.00000000000000 0.25000000000000 118.710 > 17 67 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 17 68 Sn 0.50000000000000 0.00000000000000 0.75000000000000 118.710 > 17 69 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 18 70 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 18 71 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 18 72 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 18 73 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 19 74 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 19 75 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 19 76 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 19 77 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 20 78 Sn 0.50000000000000 0.50000000000000 0.25000000000000 118.710 > 20 79 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 20 80 Sn 0.50000000000000 0.50000000000000 0.75000000000000 118.710 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3824675 0.0000000 0.0000000 0.0000000 4.3223981 0.0000000 0.0000000 0.0000000 4.3378024 -------------------------- Born effective charges -------------------------- 1 O -2.4695797 0.1163022 -0.5190106 0.1096804 -1.8256546 -0.0078224 -0.5039489 0.0133995 -2.3049550 2 O -2.4695797 0.1163022 0.5190106 0.1096804 -1.8256546 0.0078224 0.5039489 -0.0133995 -2.3049550 3 O -2.4695797 -0.1163022 0.5190106 -0.1096804 -1.8256546 -0.0078224 0.5039489 0.0133995 -2.3049550 4 O -2.4695797 -0.1163022 -0.5190106 -0.1096804 -1.8256546 0.0078224 -0.5039489 -0.0133995 -2.3049550 5 O -2.4695797 0.1163022 -0.5190106 0.1096804 -1.8256546 -0.0078224 -0.5039489 0.0133995 -2.3049550 6 O -2.4695797 0.1163022 0.5190106 0.1096804 -1.8256546 0.0078224 0.5039489 -0.0133995 -2.3049550 7 O -2.4695797 -0.1163022 0.5190106 -0.1096804 -1.8256546 -0.0078224 0.5039489 0.0133995 -2.3049550 8 O -2.4695797 -0.1163022 -0.5190106 -0.1096804 -1.8256546 0.0078224 -0.5039489 -0.0133995 -2.3049550 9 O -1.7547189 0.0000000 -0.1771111 0.0000000 -2.8446435 0.0000000 -0.0969236 0.0000000 -2.0021629 10 O -1.7547189 0.0000000 0.1771111 0.0000000 -2.8446435 0.0000000 0.0969236 0.0000000 -2.0021629 11 O -1.7547189 0.0000000 0.1771111 0.0000000 -2.8446435 0.0000000 0.0969236 0.0000000 -2.0021629 12 O -1.7547189 0.0000000 -0.1771111 0.0000000 -2.8446435 0.0000000 -0.0969236 0.0000000 -2.0021629 13 Ca 2.4645048 0.0000000 0.2142426 0.0000000 2.3530473 0.0000000 0.1052578 0.0000000 2.4774166 14 Ca 2.4645048 0.0000000 -0.2142426 0.0000000 2.3530473 0.0000000 -0.1052578 0.0000000 2.4774166 15 Ca 2.4645048 0.0000000 -0.2142426 0.0000000 2.3530473 0.0000000 -0.1052578 0.0000000 2.4774166 16 Ca 2.4645048 0.0000000 0.2142426 0.0000000 2.3530473 0.0000000 0.1052578 0.0000000 2.4774166 17 Sn 4.2293736 -0.0013151 0.2667156 0.1634555 4.1429053 -0.3876873 -0.2865391 0.4833023 4.1346565 18 Sn 4.2293736 -0.0013151 -0.2667156 0.1634555 4.1429053 0.3876873 0.2865391 -0.4833023 4.1346565 19 Sn 4.2293736 0.0013151 -0.2667156 -0.1634555 4.1429053 -0.3876873 0.2865391 0.4833023 4.1346565 20 Sn 4.2293736 0.0013151 0.2667156 -0.1634555 4.1429053 0.3876873 -0.2865391 -0.4833023 4.1346565 ---------------------------------------------------------------------------- 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: 0.781 Solver_block: 200 / 320 - Time: 0.790 Solver_block: 300 / 320 - Time: 0.775 Solver_block: 320 / 320 - Time: 0.256 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.690 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) 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 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:11:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:35]------------------------- 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 5.691815910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.893797770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.506914720000000 Atomic positions (fractional): 1 O 0.80022472822127 0.94307334998796 0.19592819382653 15.999 2 O 0.69977527177873 0.05692665001204 0.69592819382653 15.999 3 O 0.30022472822127 0.55692665001204 0.30407180617347 15.999 4 O 0.19977527177873 0.44307334998796 0.80407180617347 15.999 5 O 0.19977527177873 0.05692665001204 0.80407180617347 15.999 6 O 0.30022472822127 0.94307334998796 0.30407180617347 15.999 7 O 0.69977527177873 0.44307334998796 0.69592819382653 15.999 8 O 0.80022472822127 0.55692665001204 0.19592819382653 15.999 9 O 0.95742169098250 0.75000000000000 0.60871586465354 15.999 10 O 0.54257830901750 0.25000000000000 0.10871586465354 15.999 11 O 0.45742169098250 0.75000000000000 0.89128413534646 15.999 12 O 0.04257830901750 0.25000000000000 0.39128413534646 15.999 13 Ca 0.55535158027337 0.75000000000000 0.48483493825321 40.078 14 Ca 0.94464841972663 0.25000000000000 0.98483493825321 40.078 15 Ca 0.05535158027338 0.75000000000000 0.01516506174679 40.078 16 Ca 0.44464841972662 0.25000000000000 0.51516506174679 40.078 17 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 19 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 20 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.383631820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.893797770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.013829440000000 Atomic positions (fractional): 1 O 0.40011236411064 0.94307334998796 0.09796409691327 15.999 > 1 2 O 0.90011236411064 0.94307334998796 0.09796409691327 15.999 > 1 3 O 0.40011236411064 0.94307334998796 0.59796409691327 15.999 > 1 4 O 0.90011236411064 0.94307334998796 0.59796409691327 15.999 > 1 5 O 0.34988763588936 0.05692665001204 0.34796409691327 15.999 > 5 6 O 0.84988763588936 0.05692665001204 0.34796409691327 15.999 > 5 7 O 0.34988763588936 0.05692665001204 0.84796409691327 15.999 > 5 8 O 0.84988763588936 0.05692665001204 0.84796409691327 15.999 > 5 9 O 0.15011236411064 0.55692665001204 0.15203590308673 15.999 > 9 10 O 0.65011236411064 0.55692665001204 0.15203590308673 15.999 > 9 11 O 0.15011236411064 0.55692665001204 0.65203590308673 15.999 > 9 12 O 0.65011236411064 0.55692665001204 0.65203590308673 15.999 > 9 13 O 0.09988763588936 0.44307334998796 0.40203590308673 15.999 > 13 14 O 0.59988763588936 0.44307334998796 0.40203590308673 15.999 > 13 15 O 0.09988763588936 0.44307334998796 0.90203590308673 15.999 > 13 16 O 0.59988763588936 0.44307334998796 0.90203590308673 15.999 > 13 17 O 0.09988763588936 0.05692665001204 0.40203590308673 15.999 > 17 18 O 0.59988763588936 0.05692665001204 0.40203590308673 15.999 > 17 19 O 0.09988763588936 0.05692665001204 0.90203590308673 15.999 > 17 20 O 0.59988763588936 0.05692665001204 0.90203590308673 15.999 > 17 21 O 0.15011236411064 0.94307334998796 0.15203590308673 15.999 > 21 22 O 0.65011236411064 0.94307334998796 0.15203590308673 15.999 > 21 23 O 0.15011236411064 0.94307334998796 0.65203590308673 15.999 > 21 24 O 0.65011236411064 0.94307334998796 0.65203590308673 15.999 > 21 25 O 0.34988763588936 0.44307334998796 0.34796409691327 15.999 > 25 26 O 0.84988763588936 0.44307334998796 0.34796409691327 15.999 > 25 27 O 0.34988763588936 0.44307334998796 0.84796409691327 15.999 > 25 28 O 0.84988763588936 0.44307334998796 0.84796409691327 15.999 > 25 29 O 0.40011236411064 0.55692665001204 0.09796409691327 15.999 > 29 30 O 0.90011236411064 0.55692665001204 0.09796409691327 15.999 > 29 31 O 0.40011236411064 0.55692665001204 0.59796409691327 15.999 > 29 32 O 0.90011236411064 0.55692665001204 0.59796409691327 15.999 > 29 33 O 0.47871084549125 0.75000000000000 0.30435793232677 15.999 > 33 34 O 0.97871084549125 0.75000000000000 0.30435793232677 15.999 > 33 35 O 0.47871084549125 0.75000000000000 0.80435793232677 15.999 > 33 36 O 0.97871084549125 0.75000000000000 0.80435793232677 15.999 > 33 37 O 0.27128915450875 0.25000000000000 0.05435793232677 15.999 > 37 38 O 0.77128915450875 0.25000000000000 0.05435793232677 15.999 > 37 39 O 0.27128915450875 0.25000000000000 0.55435793232677 15.999 > 37 40 O 0.77128915450875 0.25000000000000 0.55435793232677 15.999 > 37 41 O 0.22871084549125 0.75000000000000 0.44564206767323 15.999 > 41 42 O 0.72871084549125 0.75000000000000 0.44564206767323 15.999 > 41 43 O 0.22871084549125 0.75000000000000 0.94564206767323 15.999 > 41 44 O 0.72871084549125 0.75000000000000 0.94564206767323 15.999 > 41 45 O 0.02128915450875 0.25000000000000 0.19564206767323 15.999 > 45 46 O 0.52128915450875 0.25000000000000 0.19564206767323 15.999 > 45 47 O 0.02128915450875 0.25000000000000 0.69564206767323 15.999 > 45 48 O 0.52128915450875 0.25000000000000 0.69564206767323 15.999 > 45 49 Ca 0.27767579013669 0.75000000000000 0.24241746912661 40.078 > 49 50 Ca 0.77767579013669 0.75000000000000 0.24241746912661 40.078 > 49 51 Ca 0.27767579013669 0.75000000000000 0.74241746912661 40.078 > 49 52 Ca 0.77767579013669 0.75000000000000 0.74241746912661 40.078 > 49 53 Ca 0.47232420986331 0.25000000000000 0.49241746912661 40.078 > 53 54 Ca 0.97232420986331 0.25000000000000 0.49241746912661 40.078 > 53 55 Ca 0.47232420986331 0.25000000000000 0.99241746912661 40.078 > 53 56 Ca 0.97232420986331 0.25000000000000 0.99241746912661 40.078 > 53 57 Ca 0.02767579013669 0.75000000000000 0.00758253087339 40.078 > 57 58 Ca 0.52767579013669 0.75000000000000 0.00758253087339 40.078 > 57 59 Ca 0.02767579013669 0.75000000000000 0.50758253087339 40.078 > 57 60 Ca 0.52767579013669 0.75000000000000 0.50758253087339 40.078 > 57 61 Ca 0.22232420986331 0.25000000000000 0.25758253087339 40.078 > 61 62 Ca 0.72232420986331 0.25000000000000 0.25758253087339 40.078 > 61 63 Ca 0.22232420986331 0.25000000000000 0.75758253087339 40.078 > 61 64 Ca 0.72232420986331 0.25000000000000 0.75758253087339 40.078 > 61 65 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 65 66 Sn 0.50000000000000 0.00000000000000 0.25000000000000 118.710 > 65 67 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 65 68 Sn 0.50000000000000 0.00000000000000 0.75000000000000 118.710 > 65 69 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 69 70 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 69 71 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 69 72 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 69 73 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 73 74 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 73 75 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 73 76 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 73 77 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 77 78 Sn 0.50000000000000 0.50000000000000 0.25000000000000 118.710 > 77 79 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 77 80 Sn 0.50000000000000 0.50000000000000 0.75000000000000 118.710 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3824675 0.0000000 0.0000000 0.0000000 4.3223981 0.0000000 0.0000000 0.0000000 4.3378024 -------------------------- Born effective charges -------------------------- 1 O -2.4695797 0.1163022 -0.5190106 0.1096804 -1.8256546 -0.0078224 -0.5039489 0.0133995 -2.3049550 2 O -2.4695797 0.1163022 0.5190106 0.1096804 -1.8256546 0.0078224 0.5039489 -0.0133995 -2.3049550 3 O -2.4695797 -0.1163022 0.5190106 -0.1096804 -1.8256546 -0.0078224 0.5039489 0.0133995 -2.3049550 4 O -2.4695797 -0.1163022 -0.5190106 -0.1096804 -1.8256546 0.0078224 -0.5039489 -0.0133995 -2.3049550 5 O -2.4695797 0.1163022 -0.5190106 0.1096804 -1.8256546 -0.0078224 -0.5039489 0.0133995 -2.3049550 6 O -2.4695797 0.1163022 0.5190106 0.1096804 -1.8256546 0.0078224 0.5039489 -0.0133995 -2.3049550 7 O -2.4695797 -0.1163022 0.5190106 -0.1096804 -1.8256546 -0.0078224 0.5039489 0.0133995 -2.3049550 8 O -2.4695797 -0.1163022 -0.5190106 -0.1096804 -1.8256546 0.0078224 -0.5039489 -0.0133995 -2.3049550 9 O -1.7547189 0.0000000 -0.1771111 0.0000000 -2.8446435 0.0000000 -0.0969236 0.0000000 -2.0021629 10 O -1.7547189 0.0000000 0.1771111 0.0000000 -2.8446435 0.0000000 0.0969236 0.0000000 -2.0021629 11 O -1.7547189 0.0000000 0.1771111 0.0000000 -2.8446435 0.0000000 0.0969236 0.0000000 -2.0021629 12 O -1.7547189 0.0000000 -0.1771111 0.0000000 -2.8446435 0.0000000 -0.0969236 0.0000000 -2.0021629 13 Ca 2.4645048 0.0000000 0.2142426 0.0000000 2.3530473 0.0000000 0.1052578 0.0000000 2.4774166 14 Ca 2.4645048 0.0000000 -0.2142426 0.0000000 2.3530473 0.0000000 -0.1052578 0.0000000 2.4774166 15 Ca 2.4645048 0.0000000 -0.2142426 0.0000000 2.3530473 0.0000000 -0.1052578 0.0000000 2.4774166 16 Ca 2.4645048 0.0000000 0.2142426 0.0000000 2.3530473 0.0000000 0.1052578 0.0000000 2.4774166 17 Sn 4.2293736 -0.0013151 0.2667156 0.1634555 4.1429053 -0.3876873 -0.2865391 0.4833023 4.1346565 18 Sn 4.2293736 -0.0013151 -0.2667156 0.1634555 4.1429053 0.3876873 0.2865391 -0.4833023 4.1346565 19 Sn 4.2293736 0.0013151 -0.2667156 -0.1634555 4.1429053 -0.3876873 0.2865391 0.4833023 4.1346565 20 Sn 4.2293736 0.0013151 0.2667156 -0.1634555 4.1429053 0.3876873 -0.2865391 -0.4833023 4.1346565 ---------------------------------------------------------------------------- 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[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xz) 0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:11:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:46]------------------------- 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 5.691815910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.893797770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.506914720000000 Atomic positions (fractional): 1 O 0.80022472822127 0.94307334998796 0.19592819382653 15.999 2 O 0.69977527177873 0.05692665001204 0.69592819382653 15.999 3 O 0.30022472822127 0.55692665001204 0.30407180617347 15.999 4 O 0.19977527177873 0.44307334998796 0.80407180617347 15.999 5 O 0.19977527177873 0.05692665001204 0.80407180617347 15.999 6 O 0.30022472822127 0.94307334998796 0.30407180617347 15.999 7 O 0.69977527177873 0.44307334998796 0.69592819382653 15.999 8 O 0.80022472822127 0.55692665001204 0.19592819382653 15.999 9 O 0.95742169098250 0.75000000000000 0.60871586465354 15.999 10 O 0.54257830901750 0.25000000000000 0.10871586465354 15.999 11 O 0.45742169098250 0.75000000000000 0.89128413534646 15.999 12 O 0.04257830901750 0.25000000000000 0.39128413534646 15.999 13 Ca 0.55535158027337 0.75000000000000 0.48483493825321 40.078 14 Ca 0.94464841972663 0.25000000000000 0.98483493825321 40.078 15 Ca 0.05535158027338 0.75000000000000 0.01516506174679 40.078 16 Ca 0.44464841972662 0.25000000000000 0.51516506174679 40.078 17 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 19 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 20 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.383631820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.893797770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.013829440000000 Atomic positions (fractional): 1 O 0.40011236411064 0.94307334998796 0.09796409691327 15.999 > 1 2 O 0.90011236411064 0.94307334998796 0.09796409691327 15.999 > 1 3 O 0.40011236411064 0.94307334998796 0.59796409691327 15.999 > 1 4 O 0.90011236411064 0.94307334998796 0.59796409691327 15.999 > 1 5 O 0.34988763588936 0.05692665001204 0.34796409691327 15.999 > 5 6 O 0.84988763588936 0.05692665001204 0.34796409691327 15.999 > 5 7 O 0.34988763588936 0.05692665001204 0.84796409691327 15.999 > 5 8 O 0.84988763588936 0.05692665001204 0.84796409691327 15.999 > 5 9 O 0.15011236411064 0.55692665001204 0.15203590308673 15.999 > 9 10 O 0.65011236411064 0.55692665001204 0.15203590308673 15.999 > 9 11 O 0.15011236411064 0.55692665001204 0.65203590308673 15.999 > 9 12 O 0.65011236411064 0.55692665001204 0.65203590308673 15.999 > 9 13 O 0.09988763588936 0.44307334998796 0.40203590308673 15.999 > 13 14 O 0.59988763588936 0.44307334998796 0.40203590308673 15.999 > 13 15 O 0.09988763588936 0.44307334998796 0.90203590308673 15.999 > 13 16 O 0.59988763588936 0.44307334998796 0.90203590308673 15.999 > 13 17 O 0.09988763588936 0.05692665001204 0.40203590308673 15.999 > 17 18 O 0.59988763588936 0.05692665001204 0.40203590308673 15.999 > 17 19 O 0.09988763588936 0.05692665001204 0.90203590308673 15.999 > 17 20 O 0.59988763588936 0.05692665001204 0.90203590308673 15.999 > 17 21 O 0.15011236411064 0.94307334998796 0.15203590308673 15.999 > 21 22 O 0.65011236411064 0.94307334998796 0.15203590308673 15.999 > 21 23 O 0.15011236411064 0.94307334998796 0.65203590308673 15.999 > 21 24 O 0.65011236411064 0.94307334998796 0.65203590308673 15.999 > 21 25 O 0.34988763588936 0.44307334998796 0.34796409691327 15.999 > 25 26 O 0.84988763588936 0.44307334998796 0.34796409691327 15.999 > 25 27 O 0.34988763588936 0.44307334998796 0.84796409691327 15.999 > 25 28 O 0.84988763588936 0.44307334998796 0.84796409691327 15.999 > 25 29 O 0.40011236411064 0.55692665001204 0.09796409691327 15.999 > 29 30 O 0.90011236411064 0.55692665001204 0.09796409691327 15.999 > 29 31 O 0.40011236411064 0.55692665001204 0.59796409691327 15.999 > 29 32 O 0.90011236411064 0.55692665001204 0.59796409691327 15.999 > 29 33 O 0.47871084549125 0.75000000000000 0.30435793232677 15.999 > 33 34 O 0.97871084549125 0.75000000000000 0.30435793232677 15.999 > 33 35 O 0.47871084549125 0.75000000000000 0.80435793232677 15.999 > 33 36 O 0.97871084549125 0.75000000000000 0.80435793232677 15.999 > 33 37 O 0.27128915450875 0.25000000000000 0.05435793232677 15.999 > 37 38 O 0.77128915450875 0.25000000000000 0.05435793232677 15.999 > 37 39 O 0.27128915450875 0.25000000000000 0.55435793232677 15.999 > 37 40 O 0.77128915450875 0.25000000000000 0.55435793232677 15.999 > 37 41 O 0.22871084549125 0.75000000000000 0.44564206767323 15.999 > 41 42 O 0.72871084549125 0.75000000000000 0.44564206767323 15.999 > 41 43 O 0.22871084549125 0.75000000000000 0.94564206767323 15.999 > 41 44 O 0.72871084549125 0.75000000000000 0.94564206767323 15.999 > 41 45 O 0.02128915450875 0.25000000000000 0.19564206767323 15.999 > 45 46 O 0.52128915450875 0.25000000000000 0.19564206767323 15.999 > 45 47 O 0.02128915450875 0.25000000000000 0.69564206767323 15.999 > 45 48 O 0.52128915450875 0.25000000000000 0.69564206767323 15.999 > 45 49 Ca 0.27767579013669 0.75000000000000 0.24241746912661 40.078 > 49 50 Ca 0.77767579013669 0.75000000000000 0.24241746912661 40.078 > 49 51 Ca 0.27767579013669 0.75000000000000 0.74241746912661 40.078 > 49 52 Ca 0.77767579013669 0.75000000000000 0.74241746912661 40.078 > 49 53 Ca 0.47232420986331 0.25000000000000 0.49241746912661 40.078 > 53 54 Ca 0.97232420986331 0.25000000000000 0.49241746912661 40.078 > 53 55 Ca 0.47232420986331 0.25000000000000 0.99241746912661 40.078 > 53 56 Ca 0.97232420986331 0.25000000000000 0.99241746912661 40.078 > 53 57 Ca 0.02767579013669 0.75000000000000 0.00758253087339 40.078 > 57 58 Ca 0.52767579013669 0.75000000000000 0.00758253087339 40.078 > 57 59 Ca 0.02767579013669 0.75000000000000 0.50758253087339 40.078 > 57 60 Ca 0.52767579013669 0.75000000000000 0.50758253087339 40.078 > 57 61 Ca 0.22232420986331 0.25000000000000 0.25758253087339 40.078 > 61 62 Ca 0.72232420986331 0.25000000000000 0.25758253087339 40.078 > 61 63 Ca 0.22232420986331 0.25000000000000 0.75758253087339 40.078 > 61 64 Ca 0.72232420986331 0.25000000000000 0.75758253087339 40.078 > 61 65 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 65 66 Sn 0.50000000000000 0.00000000000000 0.25000000000000 118.710 > 65 67 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 65 68 Sn 0.50000000000000 0.00000000000000 0.75000000000000 118.710 > 65 69 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 69 70 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 69 71 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 69 72 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 69 73 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 73 74 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 73 75 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 73 76 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 73 77 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 77 78 Sn 0.50000000000000 0.50000000000000 0.25000000000000 118.710 > 77 79 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 77 80 Sn 0.50000000000000 0.50000000000000 0.75000000000000 118.710 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3824675 0.0000000 0.0000000 0.0000000 4.3223981 0.0000000 0.0000000 0.0000000 4.3378024 -------------------------- Born effective charges -------------------------- 1 O -2.4695797 0.1163022 -0.5190106 0.1096804 -1.8256546 -0.0078224 -0.5039489 0.0133995 -2.3049550 2 O -2.4695797 0.1163022 0.5190106 0.1096804 -1.8256546 0.0078224 0.5039489 -0.0133995 -2.3049550 3 O -2.4695797 -0.1163022 0.5190106 -0.1096804 -1.8256546 -0.0078224 0.5039489 0.0133995 -2.3049550 4 O -2.4695797 -0.1163022 -0.5190106 -0.1096804 -1.8256546 0.0078224 -0.5039489 -0.0133995 -2.3049550 5 O -2.4695797 0.1163022 -0.5190106 0.1096804 -1.8256546 -0.0078224 -0.5039489 0.0133995 -2.3049550 6 O -2.4695797 0.1163022 0.5190106 0.1096804 -1.8256546 0.0078224 0.5039489 -0.0133995 -2.3049550 7 O -2.4695797 -0.1163022 0.5190106 -0.1096804 -1.8256546 -0.0078224 0.5039489 0.0133995 -2.3049550 8 O -2.4695797 -0.1163022 -0.5190106 -0.1096804 -1.8256546 0.0078224 -0.5039489 -0.0133995 -2.3049550 9 O -1.7547189 0.0000000 -0.1771111 0.0000000 -2.8446435 0.0000000 -0.0969236 0.0000000 -2.0021629 10 O -1.7547189 0.0000000 0.1771111 0.0000000 -2.8446435 0.0000000 0.0969236 0.0000000 -2.0021629 11 O -1.7547189 0.0000000 0.1771111 0.0000000 -2.8446435 0.0000000 0.0969236 0.0000000 -2.0021629 12 O -1.7547189 0.0000000 -0.1771111 0.0000000 -2.8446435 0.0000000 -0.0969236 0.0000000 -2.0021629 13 Ca 2.4645048 0.0000000 0.2142426 0.0000000 2.3530473 0.0000000 0.1052578 0.0000000 2.4774166 14 Ca 2.4645048 0.0000000 -0.2142426 0.0000000 2.3530473 0.0000000 -0.1052578 0.0000000 2.4774166 15 Ca 2.4645048 0.0000000 -0.2142426 0.0000000 2.3530473 0.0000000 -0.1052578 0.0000000 2.4774166 16 Ca 2.4645048 0.0000000 0.2142426 0.0000000 2.3530473 0.0000000 0.1052578 0.0000000 2.4774166 17 Sn 4.2293736 -0.0013151 0.2667156 0.1634555 4.1429053 -0.3876873 -0.2865391 0.4833023 4.1346565 18 Sn 4.2293736 -0.0013151 -0.2667156 0.1634555 4.1429053 0.3876873 0.2865391 -0.4833023 4.1346565 19 Sn 4.2293736 0.0013151 -0.2667156 -0.1634555 4.1429053 -0.3876873 0.2865391 0.4833023 4.1346565 20 Sn 4.2293736 0.0013151 0.2667156 -0.1634555 4.1429053 0.3876873 -0.2865391 -0.4833023 4.1346565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 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: 0.66, Number of G-points: 315, Lambda: 0.14 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 2.784 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 11.007 ( 0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 0.000) 0.000 12.336 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.682 ( 0.000 0.000 0.000) 0.000 13.685 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.426 ( 0.000 0.000 0.000) 0.000 14.468 ( 0.000 0.000 0.000) 0.000 14.807 ( 0.000 0.000 0.000) 0.000 17.413 ( 0.000 0.000 0.000) 0.000 17.628 ( 0.000 0.000 0.000) 0.000 17.856 ( 0.000 0.000 0.000) 0.000 17.884 ( 0.000 0.000 0.000) 0.000 18.233 ( 0.000 0.000 0.000) 0.000 18.620 ( 0.000 0.000 0.000) 0.000 19.512 ( 0.000 0.000 0.000) 0.000 20.420 ( 0.000 0.000 0.000) 0.000 20.732 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 38.817 0.000 0.000) 38.817 0.783 ( 39.647 0.000 0.000) 39.647 1.385 ( 69.892 0.000 0.000) 69.892 2.884 ( 9.851 0.000 0.000) 9.851 3.250 ( 15.418 0.000 0.000) 15.418 4.168 ( -7.274 0.000 0.000) 7.274 4.238 ( -10.966 0.000 0.000) 10.966 4.269 ( -17.918 0.000 0.000) 17.918 4.309 ( -2.272 0.000 0.000) 2.272 4.613 ( 2.155 0.000 0.000) 2.155 4.752 ( 2.361 0.000 0.000) 2.361 4.754 ( -5.950 0.000 0.000) 5.950 5.075 ( 7.114 0.000 0.000) 7.114 5.188 ( -17.803 0.000 0.000) 17.803 5.358 ( -5.596 0.000 0.000) 5.596 5.758 ( 11.945 0.000 0.000) 11.945 5.777 ( -0.940 0.000 0.000) 0.940 6.216 ( -14.872 0.000 0.000) 14.872 6.373 ( 14.499 0.000 0.000) 14.499 6.444 ( -18.118 0.000 0.000) 18.118 6.455 ( -7.189 0.000 0.000) 7.189 6.639 ( -3.870 0.000 0.000) 3.870 6.968 ( 18.604 0.000 0.000) 18.604 7.420 ( -15.086 0.000 0.000) 15.086 7.447 ( -0.107 0.000 0.000) 0.107 7.536 ( -11.093 0.000 0.000) 11.093 7.902 ( 0.850 0.000 0.000) 0.850 7.962 ( 17.747 0.000 0.000) 17.747 8.063 ( 14.329 0.000 0.000) 14.329 8.416 ( 10.066 0.000 0.000) 10.066 8.692 ( 12.393 0.000 0.000) 12.393 8.947 ( -6.397 0.000 0.000) 6.397 9.417 ( -3.699 0.000 0.000) 3.699 10.156 ( -11.729 0.000 0.000) 11.729 10.326 ( 1.100 0.000 0.000) 1.100 10.691 ( -1.140 0.000 0.000) 1.140 10.699 ( -5.589 0.000 0.000) 5.589 10.816 ( -2.704 0.000 0.000) 2.704 11.051 ( 4.501 0.000 0.000) 4.501 11.554 ( 3.012 0.000 0.000) 3.012 11.842 ( 3.578 0.000 0.000) 3.578 12.398 ( 4.864 0.000 0.000) 4.864 12.495 ( -2.674 0.000 0.000) 2.674 12.534 ( -4.606 0.000 0.000) 4.606 12.573 ( -6.884 0.000 0.000) 6.884 12.775 ( 2.885 0.000 0.000) 2.885 13.735 ( 4.851 0.000 0.000) 4.851 14.489 ( 6.468 0.000 0.000) 6.468 14.626 ( 15.827 0.000 0.000) 15.827 14.858 ( -3.660 0.000 0.000) 3.660 15.000 ( 18.468 0.000 0.000) 18.468 17.421 ( 0.755 0.000 0.000) 0.755 17.429 ( -19.014 0.000 0.000) 19.014 17.866 ( -1.343 0.000 0.000) 1.343 18.170 ( -6.389 0.000 0.000) 6.389 18.554 ( -6.770 0.000 0.000) 6.770 19.656 ( 13.034 0.000 0.000) 13.034 20.435 ( 1.547 0.000 0.000) 1.547 20.727 ( -0.547 0.000 0.000) 0.547 20.887 ( -1.189 0.000 0.000) 1.189 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 35.727 0.000 0.000) 35.727 1.537 ( 37.262 0.000 0.000) 37.262 2.702 ( 64.003 0.000 0.000) 64.003 3.141 ( 15.645 0.000 0.000) 15.645 3.537 ( 6.485 0.000 0.000) 6.485 3.945 ( -18.312 0.000 0.000) 18.312 3.951 ( -7.420 0.000 0.000) 7.420 3.965 ( -13.391 0.000 0.000) 13.391 4.244 ( -4.096 0.000 0.000) 4.096 4.576 ( -12.558 0.000 0.000) 12.558 4.630 ( -2.773 0.000 0.000) 2.773 4.828 ( 6.038 0.000 0.000) 6.038 4.877 ( -9.796 0.000 0.000) 9.796 5.258 ( 11.018 0.000 0.000) 11.018 5.283 ( -2.460 0.000 0.000) 2.460 5.761 ( -0.470 0.000 0.000) 0.470 5.816 ( -17.003 0.000 0.000) 17.003 5.828 ( -21.252 0.000 0.000) 21.252 6.180 ( 4.477 0.000 0.000) 4.477 6.320 ( -7.100 0.000 0.000) 7.100 6.583 ( -3.118 0.000 0.000) 3.118 6.713 ( 17.803 0.000 0.000) 17.803 7.107 ( -15.536 0.000 0.000) 15.536 7.223 ( 4.046 0.000 0.000) 4.046 7.349 ( -8.261 0.000 0.000) 8.261 7.522 ( 6.777 0.000 0.000) 6.777 8.020 ( 13.276 0.000 0.000) 13.276 8.250 ( 9.516 0.000 0.000) 9.516 8.318 ( 10.968 0.000 0.000) 10.968 8.613 ( 8.468 0.000 0.000) 8.468 8.763 ( -11.068 0.000 0.000) 11.068 8.923 ( 9.816 0.000 0.000) 9.816 9.330 ( -4.271 0.000 0.000) 4.271 9.905 ( -12.604 0.000 0.000) 12.604 10.358 ( 2.152 0.000 0.000) 2.152 10.576 ( -6.222 0.000 0.000) 6.222 10.640 ( -3.895 0.000 0.000) 3.895 10.743 ( -4.588 0.000 0.000) 4.588 11.182 ( 8.915 0.000 0.000) 8.915 11.632 ( 4.590 0.000 0.000) 4.590 11.900 ( 1.425 0.000 0.000) 1.425 12.365 ( -5.490 0.000 0.000) 5.490 12.402 ( -8.763 0.000 0.000) 8.763 12.444 ( -5.911 0.000 0.000) 5.911 12.582 ( 8.663 0.000 0.000) 8.663 12.822 ( 2.238 0.000 0.000) 2.238 13.860 ( 7.555 0.000 0.000) 7.555 14.676 ( 12.644 0.000 0.000) 12.644 14.749 ( -7.153 0.000 0.000) 7.153 15.062 ( 28.053 0.000 0.000) 28.053 15.499 ( 31.198 0.000 0.000) 31.198 16.962 ( -27.209 0.000 0.000) 27.209 17.432 ( -0.165 0.000 0.000) 0.165 17.835 ( -1.872 0.000 0.000) 1.872 17.988 ( -11.855 0.000 0.000) 11.855 18.352 ( -14.059 0.000 0.000) 14.059 19.947 ( 15.466 0.000 0.000) 15.466 20.479 ( 2.957 0.000 0.000) 2.957 20.708 ( -1.462 0.000 0.000) 1.462 20.852 ( -2.378 0.000 0.000) 2.378 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 31.527 0.000 0.000) 31.527 2.219 ( 31.917 0.000 0.000) 31.917 3.444 ( -6.017 0.000 0.000) 6.017 3.448 ( 10.171 0.000 0.000) 10.171 3.569 ( -14.557 0.000 0.000) 14.557 3.624 ( -12.485 0.000 0.000) 12.485 3.807 ( 32.997 0.000 0.000) 32.997 4.017 ( 4.348 0.000 0.000) 4.348 4.164 ( -3.725 0.000 0.000) 3.725 4.264 ( -19.060 0.000 0.000) 19.060 4.579 ( 8.123 0.000 0.000) 8.123 4.845 ( 2.824 0.000 0.000) 2.824 5.019 ( 13.794 0.000 0.000) 13.794 5.246 ( -1.867 0.000 0.000) 1.867 5.370 ( -22.193 0.000 0.000) 22.193 5.461 ( -14.817 0.000 0.000) 14.817 5.470 ( 9.176 0.000 0.000) 9.176 5.770 ( 1.902 0.000 0.000) 1.902 6.173 ( -7.928 0.000 0.000) 7.928 6.307 ( -3.731 0.000 0.000) 3.731 6.560 ( 6.140 0.000 0.000) 6.140 6.853 ( -9.582 0.000 0.000) 9.582 7.024 ( 11.423 0.000 0.000) 11.423 7.141 ( -9.825 0.000 0.000) 9.825 7.219 ( -2.992 0.000 0.000) 2.992 7.684 ( 8.776 0.000 0.000) 8.776 8.193 ( -14.191 0.000 0.000) 14.191 8.374 ( 20.229 0.000 0.000) 20.229 8.435 ( -0.737 0.000 0.000) 0.737 8.678 ( 3.556 0.000 0.000) 3.556 8.726 ( 4.075 0.000 0.000) 4.075 9.040 ( 1.598 0.000 0.000) 1.598 9.295 ( 1.370 0.000 0.000) 1.370 9.689 ( -9.609 0.000 0.000) 9.609 10.409 ( 2.999 0.000 0.000) 2.999 10.478 ( -3.416 0.000 0.000) 3.416 10.554 ( -4.482 0.000 0.000) 4.482 10.647 ( -5.077 0.000 0.000) 5.077 11.394 ( 12.492 0.000 0.000) 12.492 11.721 ( 4.203 0.000 0.000) 4.203 11.888 ( -2.272 0.000 0.000) 2.272 12.197 ( -12.071 0.000 0.000) 12.071 12.269 ( -3.725 0.000 0.000) 3.725 12.348 ( -4.094 0.000 0.000) 4.094 12.746 ( 7.443 0.000 0.000) 7.443 12.866 ( 2.086 0.000 0.000) 2.086 14.021 ( 8.832 0.000 0.000) 8.832 14.587 ( -9.275 0.000 0.000) 9.275 14.979 ( 18.238 0.000 0.000) 18.238 15.681 ( 34.230 0.000 0.000) 34.230 16.168 ( 36.159 0.000 0.000) 36.159 16.411 ( -28.505 0.000 0.000) 28.505 17.353 ( -11.008 0.000 0.000) 11.008 17.763 ( -8.250 0.000 0.000) 8.250 17.793 ( -2.395 0.000 0.000) 2.395 18.002 ( -21.856 0.000 0.000) 21.856 20.227 ( 12.831 0.000 0.000) 12.831 20.548 ( 4.014 0.000 0.000) 4.014 20.665 ( -3.065 0.000 0.000) 3.065 20.795 ( -3.475 0.000 0.000) 3.475 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 27.251 0.000 0.000) 27.251 2.752 ( 22.342 0.000 0.000) 22.342 3.142 ( -19.513 0.000 0.000) 19.513 3.226 ( -23.257 0.000 0.000) 23.257 3.494 ( 12.065 0.000 0.000) 12.065 3.768 ( 9.820 0.000 0.000) 9.820 3.864 ( -17.876 0.000 0.000) 17.876 3.988 ( -6.845 0.000 0.000) 6.845 4.081 ( 1.884 0.000 0.000) 1.884 4.109 ( -1.904 0.000 0.000) 1.904 4.858 ( 4.865 0.000 0.000) 4.865 5.011 ( -12.721 0.000 0.000) 12.721 5.164 ( 20.232 0.000 0.000) 20.232 5.226 ( -1.056 0.000 0.000) 1.056 5.319 ( 14.906 0.000 0.000) 14.906 5.343 ( 16.041 0.000 0.000) 16.041 5.527 ( -4.682 0.000 0.000) 4.682 5.861 ( 7.201 0.000 0.000) 7.201 5.966 ( -28.304 0.000 0.000) 28.304 6.015 ( -8.146 0.000 0.000) 8.146 6.774 ( 2.245 0.000 0.000) 2.245 6.778 ( 12.162 0.000 0.000) 12.162 6.920 ( -11.148 0.000 0.000) 11.148 6.987 ( -8.894 0.000 0.000) 8.894 7.394 ( 14.700 0.000 0.000) 14.700 7.685 ( -12.847 0.000 0.000) 12.847 8.066 ( 7.883 0.000 0.000) 7.883 8.293 ( -11.762 0.000 0.000) 11.762 8.738 ( 16.076 0.000 0.000) 16.076 8.764 ( 3.453 0.000 0.000) 3.453 8.786 ( 1.365 0.000 0.000) 1.365 8.977 ( -7.964 0.000 0.000) 7.964 9.375 ( 6.211 0.000 0.000) 6.211 9.518 ( -8.093 0.000 0.000) 8.093 10.447 ( 0.137 0.000 0.000) 0.137 10.474 ( 3.662 0.000 0.000) 3.662 10.479 ( -2.961 0.000 0.000) 2.961 10.553 ( -4.447 0.000 0.000) 4.447 11.659 ( 14.333 0.000 0.000) 14.333 11.787 ( 2.666 0.000 0.000) 2.666 11.836 ( -2.595 0.000 0.000) 2.595 11.939 ( -14.095 0.000 0.000) 14.095 12.236 ( 0.492 0.000 0.000) 0.492 12.277 ( -3.190 0.000 0.000) 3.190 12.857 ( 3.741 0.000 0.000) 3.741 12.891 ( 0.086 0.000 0.000) 0.086 14.202 ( 9.691 0.000 0.000) 9.691 14.396 ( -10.038 0.000 0.000) 10.038 15.383 ( 22.988 0.000 0.000) 22.988 15.869 ( -26.605 0.000 0.000) 26.605 16.355 ( 33.799 0.000 0.000) 33.799 16.870 ( 34.820 0.000 0.000) 34.820 16.961 ( -27.164 0.000 0.000) 27.164 17.501 ( -29.326 0.000 0.000) 29.326 17.708 ( 0.795 0.000 0.000) 0.795 17.745 ( -2.452 0.000 0.000) 2.452 20.441 ( 9.021 0.000 0.000) 9.021 20.582 ( -5.588 0.000 0.000) 5.588 20.632 ( 4.480 0.000 0.000) 4.480 20.718 ( -4.260 0.000 0.000) 4.260 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 35.443 0.000) 35.443 0.838 ( 0.000 39.098 0.000) 39.098 1.445 ( 0.000 67.241 0.000) 67.241 2.752 ( 0.000 -4.095 0.000) 4.095 3.399 ( 0.000 -14.616 0.000) 14.616 3.882 ( 0.000 -13.755 0.000) 13.755 4.325 ( 0.000 -19.682 0.000) 19.682 4.427 ( 0.000 8.597 0.000) 8.597 4.543 ( 0.000 17.056 0.000) 17.056 4.823 ( 0.000 1.342 0.000) 1.342 4.920 ( 0.000 -4.531 0.000) 4.531 4.971 ( 0.000 16.228 0.000) 16.228 5.332 ( 0.000 -10.123 0.000) 10.123 5.463 ( 0.000 5.509 0.000) 5.509 5.517 ( 0.000 -5.408 0.000) 5.408 5.695 ( 0.000 15.489 0.000) 15.489 5.727 ( 0.000 -17.232 0.000) 17.232 5.987 ( 0.000 14.728 0.000) 14.728 6.352 ( 0.000 -2.468 0.000) 2.468 6.362 ( 0.000 -18.387 0.000) 18.387 6.631 ( 0.000 -1.998 0.000) 1.998 6.632 ( 0.000 -10.547 0.000) 10.547 7.386 ( 0.000 -20.670 0.000) 20.670 7.419 ( 0.000 -10.032 0.000) 10.032 7.586 ( 0.000 6.657 0.000) 6.657 7.741 ( 0.000 -3.355 0.000) 3.355 7.789 ( 0.000 -5.187 0.000) 5.187 8.031 ( 0.000 21.435 0.000) 21.435 8.256 ( 0.000 18.827 0.000) 18.827 8.412 ( 0.000 8.988 0.000) 8.988 8.482 ( 0.000 -5.416 0.000) 5.416 8.746 ( 0.000 -1.247 0.000) 1.247 9.005 ( 0.000 -0.593 0.000) 0.593 9.425 ( 0.000 -4.635 0.000) 4.635 10.288 ( 0.000 0.080 0.000) 0.080 10.418 ( 0.000 8.545 0.000) 8.545 10.631 ( 0.000 -5.608 0.000) 5.608 10.764 ( 0.000 0.378 0.000) 0.378 10.901 ( 0.000 5.326 0.000) 5.326 11.508 ( 0.000 -1.624 0.000) 1.624 12.318 ( 0.000 -1.730 0.000) 1.730 12.323 ( 0.000 -0.948 0.000) 0.948 12.411 ( 0.000 -6.768 0.000) 6.768 12.626 ( 0.000 -4.979 0.000) 4.979 12.730 ( 0.000 9.643 0.000) 9.643 13.628 ( 0.000 -5.329 0.000) 5.329 13.899 ( 0.000 2.623 0.000) 2.623 14.264 ( 0.000 -3.257 0.000) 3.257 14.491 ( 0.000 2.089 0.000) 2.089 14.628 ( 0.000 18.441 0.000) 18.441 14.784 ( 0.000 -2.147 0.000) 2.147 17.203 ( 0.000 -19.724 0.000) 19.724 17.663 ( 0.000 1.322 0.000) 1.322 17.842 ( 0.000 -1.263 0.000) 1.263 18.214 ( 0.000 -0.499 0.000) 0.499 18.577 ( 0.000 -3.887 0.000) 3.887 19.581 ( 0.000 6.389 0.000) 6.389 20.371 ( 0.000 -5.069 0.000) 5.069 20.511 ( 0.000 7.529 0.000) 7.529 20.755 ( 0.000 1.914 0.000) 1.914 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 25.548 23.189 0.000) 34.503 1.162 ( 26.434 28.431 0.000) 38.821 1.966 ( 46.362 46.851 0.000) 65.913 2.839 ( 8.557 -5.082 0.000) 9.952 3.339 ( -0.527 -7.185 0.000) 7.205 3.884 ( -2.250 -14.933 0.000) 15.102 4.317 ( -0.939 -19.388 0.000) 19.410 4.322 ( -10.274 7.569 0.000) 12.761 4.435 ( -8.905 10.075 0.000) 13.446 4.759 ( -5.574 0.052 0.000) 5.575 4.857 ( -25.478 15.788 0.000) 29.973 5.035 ( -3.800 21.264 0.000) 21.601 5.039 ( 8.086 1.024 0.000) 8.151 5.284 ( -2.415 -6.876 0.000) 7.287 5.351 ( -23.988 18.151 0.000) 30.082 5.608 ( 6.417 -7.898 0.000) 10.176 5.963 ( -3.727 -11.873 0.000) 12.444 5.992 ( -2.396 8.913 0.000) 9.230 6.233 ( -8.762 -11.820 0.000) 14.713 6.265 ( 4.677 -7.647 0.000) 8.964 6.586 ( -2.524 -5.489 0.000) 6.042 6.710 ( -1.303 3.103 0.000) 3.365 7.016 ( -9.712 -1.255 0.000) 9.793 7.385 ( 0.232 -6.498 0.000) 6.502 7.512 ( 0.411 1.961 0.000) 2.004 7.631 ( -6.022 14.453 0.000) 15.657 7.798 ( 4.880 -4.241 0.000) 6.465 8.027 ( 7.664 7.479 0.000) 10.708 8.288 ( 4.870 14.874 0.000) 15.651 8.500 ( 9.320 8.118 0.000) 12.360 8.624 ( 10.510 -5.626 0.000) 11.921 8.945 ( -6.246 -0.884 0.000) 6.308 9.355 ( -2.031 -6.121 0.000) 6.449 9.879 ( 42.612 -41.593 0.000) 59.546 10.168 ( -10.519 1.221 0.000) 10.590 10.428 ( 0.900 8.087 0.000) 8.137 10.621 ( -1.702 -5.927 0.000) 6.167 10.791 ( 3.834 -0.759 0.000) 3.908 10.884 ( -1.719 5.957 0.000) 6.200 11.537 ( 2.785 -1.857 0.000) 3.348 12.188 ( -10.548 3.907 0.000) 11.248 12.342 ( 0.115 -5.245 0.000) 5.246 12.381 ( -1.579 -4.488 0.000) 4.757 12.620 ( -2.033 -4.368 0.000) 4.818 12.713 ( -0.933 10.986 0.000) 11.026 13.278 ( -24.342 31.790 0.000) 40.039 13.675 ( 4.541 -5.635 0.000) 7.236 14.604 ( 8.113 -16.048 0.000) 17.982 14.651 ( 15.636 1.782 0.000) 15.738 14.687 ( 5.995 18.013 0.000) 18.984 14.973 ( 18.555 -2.430 0.000) 18.714 17.217 ( 1.408 -19.332 0.000) 19.383 17.453 ( -19.111 1.975 0.000) 19.213 17.752 ( -5.261 -6.152 0.000) 8.095 18.148 ( -6.817 -0.683 0.000) 6.852 18.511 ( -6.766 -3.889 0.000) 7.804 19.725 ( 13.004 6.381 0.000) 14.485 20.525 ( 1.376 7.385 0.000) 7.512 20.646 ( 13.982 -13.118 0.000) 19.173 20.751 ( -0.401 2.045 0.000) 2.084 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 29.106 10.244 0.000) 30.856 1.739 ( 31.201 17.211 0.000) 35.633 2.975 ( 51.307 24.257 0.000) 56.752 3.064 ( 13.755 -7.701 0.000) 15.764 3.370 ( -0.275 -12.564 0.000) 12.567 3.774 ( -7.091 -9.055 0.000) 11.501 4.043 ( -17.510 8.789 0.000) 19.592 4.261 ( -8.261 1.217 0.000) 8.350 4.266 ( -3.798 -4.186 0.000) 5.653 4.548 ( -3.494 3.927 0.000) 5.257 4.586 ( -12.655 0.135 0.000) 12.656 4.878 ( -18.199 11.920 0.000) 21.756 5.099 ( 3.516 17.912 0.000) 18.254 5.117 ( -2.229 -6.133 0.000) 6.526 5.295 ( 2.740 -3.503 0.000) 4.447 5.647 ( -19.332 -6.605 0.000) 20.429 5.659 ( -4.334 -10.668 0.000) 11.515 5.841 ( -2.494 4.410 0.000) 5.066 6.268 ( 8.458 9.226 0.000) 12.516 6.543 ( -9.030 7.492 0.000) 11.733 6.549 ( -1.248 -2.130 0.000) 2.469 6.570 ( 17.866 -13.080 0.000) 22.142 7.017 ( -0.162 -13.649 0.000) 13.650 7.325 ( -12.729 11.003 0.000) 16.825 7.510 ( 3.367 3.814 0.000) 5.088 7.529 ( -2.250 12.046 0.000) 12.255 7.971 ( 14.160 -2.823 0.000) 14.439 8.242 ( 8.762 -0.468 0.000) 8.774 8.425 ( 8.179 7.328 0.000) 10.982 8.677 ( 6.809 7.275 0.000) 9.965 8.709 ( -8.793 -4.783 0.000) 10.010 8.860 ( 5.076 -5.884 0.000) 7.771 9.289 ( -2.769 -3.711 0.000) 4.630 9.946 ( -11.020 3.769 0.000) 11.647 10.318 ( 7.601 -22.581 0.000) 23.826 10.450 ( 1.730 7.722 0.000) 7.913 10.558 ( -4.421 -6.389 0.000) 7.769 10.835 ( -3.251 7.408 0.000) 8.090 10.962 ( 13.145 -8.532 0.000) 15.671 11.608 ( 4.245 -2.408 0.000) 4.880 12.007 ( -7.455 3.761 0.000) 8.349 12.255 ( -6.830 -6.974 0.000) 9.762 12.362 ( -3.408 -3.636 0.000) 4.983 12.529 ( -6.557 -0.553 0.000) 6.580 12.741 ( 4.475 11.848 0.000) 12.665 13.038 ( -4.191 21.883 0.000) 22.280 13.793 ( 7.268 -6.180 0.000) 9.540 14.617 ( -4.163 -11.511 0.000) 12.241 14.860 ( 11.662 16.714 0.000) 20.381 15.090 ( 28.214 2.569 0.000) 28.331 15.467 ( 30.863 -2.910 0.000) 30.999 16.995 ( -26.272 3.028 0.000) 26.446 17.254 ( 2.128 -17.792 0.000) 17.919 17.671 ( -3.530 -12.549 0.000) 13.036 17.947 ( -13.705 -1.603 0.000) 13.799 18.309 ( -14.049 -3.891 0.000) 14.577 20.015 ( 15.288 6.211 0.000) 16.502 20.564 ( 2.598 6.935 0.000) 7.406 20.737 ( -1.167 2.442 0.000) 2.707 20.795 ( 2.911 -5.228 0.000) 5.984 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 26.028 0.554 0.000) 26.034 2.342 ( 29.840 10.530 0.000) 31.643 3.251 ( -10.287 -13.885 0.000) 17.280 3.344 ( 13.128 -10.484 0.000) 16.800 3.500 ( -1.853 -4.950 0.000) 5.286 3.687 ( -16.783 10.711 0.000) 19.910 3.943 ( 20.119 7.078 0.000) 21.328 4.112 ( -8.006 -3.292 0.000) 8.656 4.188 ( -5.738 1.208 0.000) 5.864 4.270 ( -18.120 -1.147 0.000) 18.156 4.560 ( 4.549 -15.190 0.000) 15.856 4.764 ( 12.693 19.040 0.000) 22.883 4.970 ( -10.962 -17.217 0.000) 20.410 5.241 ( 10.448 15.250 0.000) 18.486 5.278 ( -3.404 -2.683 0.000) 4.334 5.339 ( -9.970 -0.620 0.000) 9.989 5.656 ( 4.631 8.097 0.000) 9.328 5.893 ( 4.618 6.193 0.000) 7.725 6.339 ( -5.172 4.174 0.000) 6.646 6.368 ( -8.113 6.115 0.000) 10.159 6.626 ( 11.230 6.337 0.000) 12.894 6.865 ( 3.512 -16.593 0.000) 16.961 7.014 ( 8.072 -4.047 0.000) 9.030 7.034 ( -15.188 14.999 0.000) 21.346 7.404 ( -9.315 12.275 0.000) 15.409 7.653 ( 8.767 -2.835 0.000) 9.214 8.172 ( -15.305 -2.031 0.000) 15.439 8.263 ( 11.245 -5.483 0.000) 12.511 8.554 ( 4.193 5.390 0.000) 6.829 8.622 ( 3.128 -4.712 0.000) 5.656 8.747 ( 2.541 2.685 0.000) 3.696 8.958 ( 2.770 -7.117 0.000) 7.637 9.300 ( 4.162 1.239 0.000) 4.342 9.753 ( -9.021 5.556 0.000) 10.595 10.357 ( -0.458 -9.595 0.000) 9.606 10.467 ( -4.534 -6.430 0.000) 7.868 10.510 ( 3.880 7.171 0.000) 8.153 10.761 ( -4.193 8.842 0.000) 9.785 11.245 ( 15.010 -10.416 0.000) 18.270 11.688 ( 3.438 -3.288 0.000) 4.757 11.892 ( -4.527 0.563 0.000) 4.562 12.094 ( -9.688 -6.758 0.000) 11.812 12.266 ( -4.730 -2.153 0.000) 5.197 12.396 ( -6.598 0.006 0.000) 6.598 12.858 ( 6.311 10.084 0.000) 11.896 13.011 ( 0.033 14.522 0.000) 14.522 13.950 ( 8.657 -6.597 0.000) 10.884 14.490 ( -8.170 -8.914 0.000) 12.091 15.138 ( 16.750 14.545 0.000) 22.184 15.711 ( 34.318 2.783 0.000) 34.431 16.128 ( 35.164 -3.564 0.000) 35.344 16.471 ( -26.220 5.475 0.000) 26.785 17.275 ( -2.048 -11.250 0.000) 11.435 17.603 ( -3.472 -15.911 0.000) 16.286 17.632 ( -16.572 -7.123 0.000) 18.038 17.959 ( -21.823 -3.878 0.000) 22.165 20.290 ( 12.446 5.653 0.000) 13.670 20.624 ( 3.364 6.084 0.000) 6.952 20.702 ( -2.563 3.144 0.000) 4.056 20.806 ( -1.202 0.175 0.000) 1.215 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 21.500 -8.065 0.000) 22.963 2.873 ( 23.646 10.167 0.000) 25.739 2.991 ( -16.132 -14.849 0.000) 21.925 3.266 ( -17.018 9.694 0.000) 19.586 3.508 ( 6.518 -1.548 0.000) 6.699 3.676 ( 5.389 -10.731 0.000) 12.008 3.844 ( -10.691 -1.188 0.000) 10.757 3.995 ( -9.642 -9.487 0.000) 13.526 4.051 ( -3.350 0.635 0.000) 3.410 4.065 ( -3.858 -3.300 0.000) 5.077 4.666 ( 4.212 -13.427 0.000) 14.072 4.774 ( -7.839 -16.353 0.000) 18.135 5.165 ( 4.844 3.695 0.000) 6.093 5.215 ( -2.824 2.979 0.000) 4.105 5.383 ( 24.085 14.690 0.000) 28.212 5.548 ( 21.884 15.161 0.000) 26.623 5.665 ( -6.108 12.534 0.000) 13.943 5.997 ( -1.592 3.170 0.000) 3.548 6.114 ( -11.306 11.752 0.000) 16.308 6.215 ( -7.946 6.568 0.000) 10.309 6.784 ( -4.941 -8.844 0.000) 10.130 6.789 ( -7.306 3.652 0.000) 8.168 6.889 ( 13.966 9.850 0.000) 17.090 7.138 ( -9.651 12.904 0.000) 16.114 7.352 ( 13.669 -5.283 0.000) 14.654 7.657 ( -13.516 -3.148 0.000) 13.877 8.026 ( 7.793 -3.878 0.000) 8.705 8.247 ( -10.392 -4.437 0.000) 11.299 8.664 ( 5.502 -2.885 0.000) 6.212 8.692 ( 2.087 -5.199 0.000) 5.602 8.837 ( 6.195 1.276 0.000) 6.325 8.948 ( -3.786 -3.147 0.000) 4.923 9.423 ( 7.653 4.851 0.000) 9.061 9.583 ( -8.530 5.876 0.000) 10.358 10.356 ( 0.783 -6.621 0.000) 6.667 10.392 ( -2.902 -6.226 0.000) 6.869 10.590 ( 4.291 8.494 0.000) 9.516 10.676 ( -4.436 9.326 0.000) 10.327 11.532 ( 13.905 -9.907 0.000) 17.073 11.715 ( -2.251 -6.748 0.000) 7.114 11.832 ( -1.335 -0.316 0.000) 1.372 11.891 ( -9.207 -3.235 0.000) 9.759 12.223 ( 0.664 -2.148 0.000) 2.248 12.282 ( -4.855 -1.406 0.000) 5.054 12.961 ( 3.910 9.762 0.000) 10.516 13.007 ( -0.973 11.150 0.000) 11.192 14.127 ( 9.462 -6.992 0.000) 11.766 14.315 ( -9.539 -7.655 0.000) 12.231 15.509 ( 21.139 11.617 0.000) 24.120 15.958 ( -24.620 8.216 0.000) 25.955 16.387 ( 33.863 2.926 0.000) 33.989 16.831 ( 34.557 -3.530 0.000) 34.736 16.990 ( -26.318 2.576 0.000) 26.444 17.457 ( -27.484 -4.703 0.000) 27.884 17.486 ( -1.010 -18.652 0.000) 18.679 17.535 ( -3.405 -18.182 0.000) 18.498 20.494 ( 8.514 4.784 0.000) 9.766 20.625 ( -4.938 3.819 0.000) 6.242 20.697 ( 3.497 5.033 0.000) 6.129 20.762 ( -2.978 3.166 0.000) 4.347 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 32.362 0.000) 32.362 1.639 ( 0.000 36.451 0.000) 36.451 2.555 ( 0.000 -15.446 0.000) 15.446 2.805 ( 0.000 56.894 0.000) 56.894 2.982 ( 0.000 -20.275 0.000) 20.275 3.653 ( 0.000 -6.433 0.000) 6.433 3.915 ( 0.000 -16.927 0.000) 16.927 4.634 ( 0.000 8.740 0.000) 8.740 4.811 ( 0.000 1.747 0.000) 1.747 4.923 ( 0.000 10.015 0.000) 10.015 4.957 ( 0.000 -30.337 0.000) 30.337 5.051 ( 0.000 13.949 0.000) 13.949 5.158 ( 0.000 2.148 0.000) 2.148 5.358 ( 0.000 -9.023 0.000) 9.023 5.508 ( 0.000 7.776 0.000) 7.776 5.596 ( 0.000 5.944 0.000) 5.944 5.900 ( 0.000 -20.258 0.000) 20.258 6.007 ( 0.000 12.951 0.000) 12.951 6.294 ( 0.000 -2.651 0.000) 2.651 6.306 ( 0.000 -19.949 0.000) 19.949 6.362 ( 0.000 17.782 0.000) 17.782 6.579 ( 0.000 -2.003 0.000) 2.003 6.959 ( 0.000 -19.096 0.000) 19.096 7.129 ( 0.000 -16.605 0.000) 16.605 7.671 ( 0.000 -2.583 0.000) 2.583 7.691 ( 0.000 -3.588 0.000) 3.588 7.813 ( 0.000 12.996 0.000) 12.996 8.321 ( 0.000 -9.542 0.000) 9.542 8.470 ( 0.000 18.891 0.000) 18.891 8.547 ( 0.000 8.176 0.000) 8.176 8.693 ( 0.000 17.005 0.000) 17.005 8.720 ( 0.000 -1.457 0.000) 1.457 8.959 ( 0.000 -4.390 0.000) 4.390 9.278 ( 0.000 -9.350 0.000) 9.350 10.301 ( 0.000 1.490 0.000) 1.490 10.489 ( 0.000 -7.021 0.000) 7.021 10.612 ( 0.000 8.435 0.000) 8.435 10.770 ( 0.000 -0.113 0.000) 0.113 11.060 ( 0.000 9.419 0.000) 9.419 11.438 ( 0.000 -5.479 0.000) 5.479 12.272 ( 0.000 -2.301 0.000) 2.301 12.284 ( 0.000 -4.530 0.000) 4.530 12.313 ( 0.000 0.570 0.000) 0.570 12.494 ( 0.000 -6.870 0.000) 6.870 12.966 ( 0.000 12.353 0.000) 12.353 13.467 ( 0.000 -9.702 0.000) 9.702 13.973 ( 0.000 4.175 0.000) 4.175 14.175 ( 0.000 -4.842 0.000) 4.842 14.552 ( 0.000 3.593 0.000) 3.593 14.721 ( 0.000 -3.676 0.000) 3.676 15.161 ( 0.000 30.844 0.000) 30.844 16.626 ( 0.000 -33.099 0.000) 33.099 17.702 ( 0.000 2.249 0.000) 2.249 17.805 ( 0.000 -2.186 0.000) 2.186 18.244 ( 0.000 3.345 0.000) 3.345 18.469 ( 0.000 -5.908 0.000) 5.908 19.764 ( 0.000 10.431 0.000) 10.431 20.218 ( 0.000 -9.142 0.000) 9.142 20.677 ( 0.000 7.020 0.000) 7.020 20.793 ( 0.000 1.115 0.000) 1.115 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 12.800 27.872 0.000) 30.670 1.819 ( 16.092 32.140 0.000) 35.944 2.625 ( 6.833 -15.842 0.000) 17.253 2.991 ( 9.290 -2.023 0.000) 9.508 3.091 ( 18.620 33.725 0.000) 38.524 3.629 ( -2.382 -7.064 0.000) 7.454 3.883 ( -2.525 -18.647 0.000) 18.817 4.502 ( -11.582 8.201 0.000) 14.191 4.665 ( -16.918 9.625 0.000) 19.464 4.768 ( -5.904 3.014 0.000) 6.629 4.826 ( -10.858 -18.217 0.000) 21.207 5.120 ( 1.028 -1.713 0.000) 1.998 5.214 ( 2.444 6.232 0.000) 6.694 5.384 ( -1.158 -13.841 0.000) 13.890 5.442 ( -3.355 15.542 0.000) 15.900 5.712 ( -2.806 -1.425 0.000) 3.147 5.777 ( -9.797 9.689 0.000) 13.779 5.840 ( 1.054 -6.698 0.000) 6.780 6.163 ( -10.195 -1.100 0.000) 10.254 6.376 ( 4.473 -13.652 0.000) 14.366 6.417 ( 5.888 16.743 0.000) 17.748 6.648 ( 3.886 -6.114 0.000) 7.245 6.807 ( -15.217 -13.438 0.000) 20.301 7.156 ( 2.884 -14.740 0.000) 15.019 7.598 ( 4.521 3.653 0.000) 5.812 7.724 ( 6.373 -3.198 0.000) 7.131 7.908 ( 6.759 11.917 0.000) 13.701 8.236 ( -5.912 6.186 0.000) 8.557 8.523 ( 4.138 0.196 0.000) 4.143 8.627 ( 0.215 15.557 0.000) 15.558 8.729 ( 10.221 12.940 0.000) 16.489 8.881 ( -8.181 -5.638 0.000) 9.936 9.150 ( 12.031 -12.107 0.000) 17.068 9.337 ( 19.657 -15.301 0.000) 24.910 10.215 ( -7.487 3.424 0.000) 8.233 10.470 ( -2.451 -7.766 0.000) 8.143 10.615 ( 0.338 8.260 0.000) 8.267 10.782 ( 1.626 -0.646 0.000) 1.750 11.056 ( -0.483 9.995 0.000) 10.006 11.459 ( 1.989 -6.017 0.000) 6.337 12.232 ( -7.124 2.359 0.000) 7.504 12.240 ( -3.155 -3.221 0.000) 4.509 12.293 ( 0.148 -4.011 0.000) 4.014 12.480 ( -1.940 -7.881 0.000) 8.116 12.974 ( 1.190 13.335 0.000) 13.388 13.505 ( 3.789 -10.200 0.000) 10.881 13.756 ( -13.746 16.040 0.000) 21.124 14.294 ( 4.949 -12.916 0.000) 13.832 14.717 ( 16.458 3.919 0.000) 16.918 14.903 ( 17.954 -4.086 0.000) 18.413 15.207 ( 4.747 30.171 0.000) 30.542 16.648 ( 2.239 -32.695 0.000) 32.771 17.506 ( -18.043 2.952 0.000) 18.283 17.651 ( -12.514 -3.935 0.000) 13.118 18.177 ( -6.965 3.371 0.000) 7.738 18.403 ( -6.793 -5.934 0.000) 9.019 19.909 ( 13.014 10.586 0.000) 16.776 20.398 ( 14.161 -11.358 0.000) 18.153 20.687 ( 0.977 6.810 0.000) 6.880 20.793 ( -0.014 1.328 0.000) 1.328 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 17.122 18.738 0.000) 25.382 2.190 ( 21.001 24.130 0.000) 31.989 2.799 ( 10.311 -17.401 0.000) 20.226 3.086 ( 1.828 -14.237 0.000) 14.354 3.417 ( -0.779 1.960 0.000) 2.109 3.735 ( 12.673 4.844 0.000) 13.568 3.874 ( 11.128 -4.568 0.000) 12.029 4.251 ( -13.232 7.593 0.000) 15.256 4.327 ( -16.685 7.315 0.000) 18.218 4.567 ( -15.036 -1.367 0.000) 15.098 4.626 ( -9.238 -2.875 0.000) 9.675 4.976 ( -17.523 -10.307 0.000) 20.330 5.196 ( 3.148 -1.885 0.000) 3.669 5.287 ( -11.461 17.119 0.000) 20.602 5.462 ( 8.365 -7.965 0.000) 11.551 5.514 ( -1.721 16.863 0.000) 16.950 5.656 ( -10.463 9.069 0.000) 13.847 5.978 ( 9.009 9.942 0.000) 13.417 6.216 ( 13.600 -16.941 0.000) 21.724 6.430 ( 0.956 -4.341 0.000) 4.445 6.502 ( -12.940 -8.830 0.000) 15.666 6.590 ( 11.249 14.084 0.000) 18.025 6.703 ( 1.262 -15.572 0.000) 15.623 7.244 ( 5.842 -11.349 0.000) 12.764 7.764 ( 5.490 8.319 0.000) 9.967 7.864 ( -11.734 20.337 0.000) 23.479 7.925 ( 13.899 -1.856 0.000) 14.022 8.246 ( 4.859 0.901 0.000) 4.942 8.583 ( -4.379 -6.400 0.000) 7.754 8.606 ( -0.071 10.488 0.000) 10.488 8.685 ( -3.772 -10.235 0.000) 10.908 8.882 ( 0.012 7.815 0.000) 7.815 9.215 ( 6.923 -0.231 0.000) 6.927 9.825 ( 19.744 -21.669 0.000) 29.315 10.056 ( -8.159 6.447 0.000) 10.399 10.395 ( -4.798 -8.622 0.000) 9.867 10.631 ( 1.680 8.276 0.000) 8.445 10.856 ( 6.525 -3.470 0.000) 7.391 11.038 ( -1.427 11.493 0.000) 11.582 11.509 ( 2.886 -7.525 0.000) 8.060 12.078 ( -7.956 4.422 0.000) 9.102 12.146 ( -6.408 -2.299 0.000) 6.808 12.264 ( -3.401 -5.203 0.000) 6.216 12.410 ( -5.054 -8.647 0.000) 10.016 13.028 ( 4.422 14.666 0.000) 15.318 13.536 ( -8.514 22.232 0.000) 23.807 13.608 ( 6.538 -11.090 0.000) 12.874 14.316 ( -2.264 -16.003 0.000) 16.162 15.166 ( 28.635 4.511 0.000) 28.988 15.344 ( 9.191 28.173 0.000) 29.634 15.383 ( 30.094 -4.844 0.000) 30.482 16.712 ( 4.183 -31.461 0.000) 31.738 17.085 ( -23.406 5.407 0.000) 24.022 17.414 ( -10.903 -10.752 0.000) 15.313 17.969 ( -14.388 3.433 0.000) 14.792 18.201 ( -14.083 -5.997 0.000) 15.307 20.193 ( 14.619 10.203 0.000) 17.828 20.641 ( 9.523 -9.121 0.000) 13.187 20.714 ( 1.728 6.137 0.000) 6.376 20.790 ( -0.371 1.987 0.000) 2.021 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 15.278 9.196 0.000) 17.832 2.619 ( 22.325 15.089 0.000) 26.946 3.003 ( 10.129 -20.667 0.000) 23.016 3.027 ( -7.750 -5.754 0.000) 9.653 3.371 ( 0.060 -7.909 0.000) 7.910 3.683 ( -6.846 -26.811 0.000) 27.672 3.980 ( -14.423 15.739 0.000) 21.348 4.064 ( -11.334 -0.338 0.000) 11.339 4.204 ( -19.106 -4.441 0.000) 19.615 4.224 ( 3.097 10.127 0.000) 10.590 4.492 ( -1.508 -0.147 0.000) 1.515 4.658 ( -13.354 -13.744 0.000) 19.164 5.276 ( 4.336 4.076 0.000) 5.951 5.283 ( 12.830 26.134 0.000) 29.113 5.482 ( 0.982 13.371 0.000) 13.407 5.647 ( 9.104 20.736 0.000) 22.646 5.653 ( 10.754 -7.693 0.000) 13.222 6.100 ( 2.430 13.079 0.000) 13.303 6.289 ( -7.832 -11.475 0.000) 13.893 6.413 ( -2.476 0.531 0.000) 2.533 6.475 ( 7.333 -18.479 0.000) 19.881 6.785 ( 10.569 -17.467 0.000) 20.416 6.838 ( 13.242 13.430 0.000) 18.860 7.307 ( -5.551 3.361 0.000) 6.490 7.634 ( -5.028 6.263 0.000) 8.031 7.734 ( -7.702 16.290 0.000) 18.019 8.093 ( -19.389 -6.212 0.000) 20.360 8.158 ( 6.515 -5.161 0.000) 8.312 8.531 ( 4.775 -2.145 0.000) 5.234 8.640 ( 2.330 3.938 0.000) 4.576 8.770 ( 5.693 -9.945 0.000) 11.459 8.801 ( -3.538 0.135 0.000) 3.540 9.409 ( 10.443 10.347 0.000) 14.701 9.903 ( -7.617 8.372 0.000) 11.319 10.074 ( 7.076 -16.097 0.000) 17.583 10.300 ( -4.617 -9.128 0.000) 10.229 10.694 ( 4.784 9.113 0.000) 10.292 10.997 ( -2.944 13.079 0.000) 13.407 11.042 ( 12.080 -8.500 0.000) 14.771 11.553 ( 0.914 -9.993 0.000) 10.035 11.940 ( -5.858 4.736 0.000) 7.533 12.000 ( -7.949 -0.767 0.000) 7.986 12.177 ( -4.513 -5.682 0.000) 7.256 12.296 ( -6.313 -8.352 0.000) 10.469 13.134 ( 5.962 15.145 0.000) 16.276 13.412 ( -4.687 21.144 0.000) 21.657 13.752 ( 8.005 -11.893 0.000) 14.336 14.226 ( -6.461 -15.628 0.000) 16.911 15.563 ( 13.141 24.918 0.000) 28.171 15.793 ( 34.518 4.845 0.000) 34.856 16.030 ( 34.776 -5.455 0.000) 35.201 16.634 ( -22.028 9.827 0.000) 24.120 16.808 ( 5.623 -29.270 0.000) 29.806 17.226 ( -8.555 -17.939 0.000) 19.874 17.612 ( -22.170 3.424 0.000) 22.433 17.850 ( -21.822 -6.062 0.000) 22.648 20.448 ( 11.080 8.744 0.000) 14.115 20.749 ( 1.539 4.836 0.000) 5.075 20.767 ( 3.776 -4.203 0.000) 5.650 20.776 ( -0.992 3.179 0.000) 3.331 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 13.221 1.105 0.000) 13.267 2.767 ( -11.335 -3.356 0.000) 11.821 3.124 ( 23.126 10.163 0.000) 25.261 3.182 ( 8.345 -22.698 0.000) 24.183 3.337 ( -6.439 -15.873 0.000) 17.129 3.602 ( -24.275 9.981 0.000) 26.247 3.647 ( 6.160 -14.351 0.000) 15.617 3.836 ( -10.821 -0.195 0.000) 10.823 4.018 ( -0.442 1.037 0.000) 1.127 4.110 ( -7.910 5.513 0.000) 9.642 4.467 ( -1.802 -7.978 0.000) 8.179 4.481 ( -4.443 -12.865 0.000) 13.610 5.348 ( 2.849 10.057 0.000) 10.453 5.385 ( -0.773 15.463 0.000) 15.482 5.780 ( 16.954 19.026 0.000) 25.484 5.856 ( 8.710 -6.350 0.000) 10.779 5.923 ( 14.340 13.435 0.000) 19.651 6.052 ( -7.021 12.833 0.000) 14.628 6.193 ( 2.160 1.491 0.000) 2.625 6.347 ( -4.747 7.939 0.000) 9.250 6.549 ( 5.225 -13.781 0.000) 14.739 6.853 ( -20.728 5.243 0.000) 21.381 7.105 ( 18.927 -18.087 0.000) 26.180 7.203 ( 9.528 13.106 0.000) 16.203 7.517 ( -12.822 19.490 0.000) 23.329 7.540 ( -15.758 -5.869 0.000) 16.816 7.897 ( 7.489 -8.463 0.000) 11.300 8.111 ( -9.789 -8.375 0.000) 12.883 8.625 ( 3.622 0.152 0.000) 3.625 8.659 ( -0.067 2.255 0.000) 2.256 8.818 ( 3.038 -2.818 0.000) 4.143 8.843 ( 1.236 -6.446 0.000) 6.563 9.594 ( 8.620 11.347 0.000) 14.250 9.753 ( -7.823 9.965 0.000) 12.669 10.161 ( 3.053 -11.766 0.000) 12.156 10.221 ( -3.399 -9.931 0.000) 10.497 10.806 ( 6.232 11.261 0.000) 12.871 10.919 ( -5.031 13.224 0.000) 14.149 11.296 ( 12.907 -11.844 0.000) 17.518 11.503 ( -7.023 -12.703 0.000) 14.515 11.860 ( -2.024 3.888 0.000) 4.384 11.874 ( -3.836 2.274 0.000) 4.459 12.128 ( 0.135 -6.531 0.000) 6.533 12.182 ( -4.865 -7.619 0.000) 9.040 13.244 ( 5.096 16.103 0.000) 16.890 13.332 ( -3.997 18.273 0.000) 18.705 13.915 ( 8.548 -12.905 0.000) 15.479 14.080 ( -8.224 -14.283 0.000) 16.481 15.854 ( 16.588 20.523 0.000) 26.389 16.206 ( -19.125 15.018 0.000) 24.317 16.473 ( 34.104 5.038 0.000) 34.474 16.731 ( 33.671 -5.629 0.000) 34.138 16.924 ( 5.179 -23.627 0.000) 24.188 17.072 ( -7.303 -23.579 0.000) 24.684 17.112 ( -27.958 0.903 0.000) 27.973 17.351 ( -29.090 -6.050 0.000) 29.712 20.623 ( 6.899 6.729 0.000) 9.637 20.723 ( -3.519 4.784 0.000) 5.939 20.790 ( 1.384 2.860 0.000) 3.177 20.803 ( 0.312 -0.058 0.000) 0.317 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.000 -26.192 0.000) 26.192 2.107 ( 0.000 26.192 0.000) 26.192 2.364 ( 0.000 -31.915 0.000) 31.915 2.364 ( 0.000 31.915 0.000) 31.915 3.641 ( 0.000 -4.476 0.000) 4.476 3.641 ( 0.000 4.476 0.000) 4.476 4.047 ( 0.000 -50.300 0.000) 50.300 4.047 ( 0.000 50.300 0.000) 50.300 4.770 ( 0.000 -4.874 0.000) 4.874 4.770 ( 0.000 4.874 0.000) 4.874 5.117 ( 0.000 -3.206 0.000) 3.206 5.117 ( 0.000 3.206 0.000) 3.206 5.281 ( 0.000 -9.882 0.000) 9.882 5.281 ( 0.000 9.882 0.000) 9.882 5.657 ( 0.000 -1.829 0.000) 1.829 5.657 ( 0.000 1.829 0.000) 1.829 5.838 ( 0.000 -20.494 0.000) 20.494 5.838 ( 0.000 20.494 0.000) 20.494 6.216 ( 0.000 -6.384 0.000) 6.384 6.216 ( 0.000 6.384 0.000) 6.384 6.635 ( 0.000 -9.595 0.000) 9.595 6.635 ( 0.000 9.595 0.000) 9.595 6.751 ( 0.000 -18.614 0.000) 18.614 6.751 ( 0.000 18.614 0.000) 18.614 7.648 ( 0.000 -0.465 0.000) 0.465 7.648 ( 0.000 0.465 0.000) 0.465 8.087 ( 0.000 -12.386 0.000) 12.386 8.087 ( 0.000 12.386 0.000) 12.386 8.669 ( 0.000 -3.757 0.000) 3.757 8.669 ( 0.000 3.757 0.000) 3.757 8.795 ( 0.000 -11.533 0.000) 11.533 8.795 ( 0.000 11.533 0.000) 11.533 9.029 ( 0.000 -14.118 0.000) 14.118 9.029 ( 0.000 14.118 0.000) 14.118 10.363 ( 0.000 -4.548 0.000) 4.548 10.363 ( 0.000 4.548 0.000) 4.548 10.739 ( 0.000 -3.426 0.000) 3.426 10.739 ( 0.000 3.426 0.000) 3.426 11.272 ( 0.000 -9.794 0.000) 9.794 11.272 ( 0.000 9.794 0.000) 9.794 12.239 ( 0.000 -0.198 0.000) 0.198 12.239 ( 0.000 0.198 0.000) 0.198 12.366 ( 0.000 -4.582 0.000) 4.582 12.366 ( 0.000 4.582 0.000) 4.582 13.231 ( 0.000 -12.284 0.000) 12.284 13.231 ( 0.000 12.284 0.000) 12.284 14.070 ( 0.000 -4.905 0.000) 4.905 14.070 ( 0.000 4.905 0.000) 4.905 14.636 ( 0.000 -4.187 0.000) 4.187 14.636 ( 0.000 4.187 0.000) 4.187 15.880 ( 0.000 -36.058 0.000) 36.058 15.880 ( 0.000 36.058 0.000) 36.058 17.754 ( 0.000 -2.549 0.000) 2.549 17.754 ( 0.000 2.549 0.000) 2.549 18.343 ( 0.000 -5.669 0.000) 5.669 18.343 ( 0.000 5.669 0.000) 5.669 19.999 ( 0.000 -11.225 0.000) 11.225 19.999 ( 0.000 11.225 0.000) 11.225 20.781 ( 0.000 -2.612 0.000) 2.612 20.781 ( 0.000 2.612 0.000) 2.612 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 7.469 -24.889 0.000) 25.986 2.185 ( 7.469 24.889 0.000) 25.986 2.475 ( 10.026 -29.132 0.000) 30.809 2.475 ( 10.026 29.132 0.000) 30.809 3.604 ( -4.892 -6.953 0.000) 8.502 3.604 ( -4.892 6.953 0.000) 8.502 4.132 ( 9.818 -43.840 0.000) 44.926 4.132 ( 9.818 43.840 0.000) 44.926 4.654 ( -11.380 -5.885 0.000) 12.811 4.654 ( -11.380 5.885 0.000) 12.811 5.033 ( -14.846 -16.862 0.000) 22.466 5.033 ( -14.846 16.862 0.000) 22.466 5.186 ( 1.701 -7.194 0.000) 7.392 5.186 ( 1.701 7.194 0.000) 7.392 5.632 ( -3.817 -4.080 0.000) 5.587 5.632 ( -3.817 4.080 0.000) 5.587 6.013 ( 12.874 -17.899 0.000) 22.048 6.013 ( 12.874 17.899 0.000) 22.048 6.067 ( -8.969 -11.655 0.000) 14.706 6.067 ( -8.969 11.655 0.000) 14.706 6.597 ( -7.633 -4.695 0.000) 8.962 6.597 ( -7.633 4.695 0.000) 8.962 6.800 ( 4.909 -18.179 0.000) 18.830 6.800 ( 4.909 18.179 0.000) 18.830 7.661 ( 6.432 -2.744 0.000) 6.992 7.661 ( 6.432 2.744 0.000) 6.992 8.144 ( 5.223 -10.004 0.000) 11.285 8.144 ( 5.223 10.004 0.000) 11.285 8.701 ( -9.256 -10.971 0.000) 14.354 8.701 ( -9.256 10.971 0.000) 14.354 8.896 ( 8.414 -10.399 0.000) 13.377 8.896 ( 8.414 10.399 0.000) 13.377 9.042 ( 9.922 -13.713 0.000) 16.925 9.042 ( 9.922 13.713 0.000) 16.925 10.317 ( -4.325 -6.240 0.000) 7.592 10.317 ( -4.325 6.240 0.000) 7.592 10.742 ( 0.532 -3.660 0.000) 3.699 10.742 ( 0.532 3.660 0.000) 3.699 11.280 ( 0.726 -10.377 0.000) 10.403 11.280 ( 0.726 10.377 0.000) 10.403 12.226 ( -1.614 -1.756 0.000) 2.385 12.226 ( -1.614 1.756 0.000) 2.385 12.323 ( -4.198 -6.293 0.000) 7.565 12.323 ( -4.198 6.293 0.000) 7.565 13.257 ( 2.692 -12.981 0.000) 13.257 13.257 ( 2.692 12.981 0.000) 13.257 14.039 ( -3.088 -11.911 0.000) 12.305 14.039 ( -3.088 11.911 0.000) 12.305 14.809 ( 17.178 -4.608 0.000) 17.786 14.809 ( 17.178 4.608 0.000) 17.786 15.913 ( 3.323 -35.456 0.000) 35.611 15.913 ( 3.323 35.456 0.000) 35.611 17.574 ( -16.079 -3.442 0.000) 16.444 17.574 ( -16.079 3.442 0.000) 16.444 18.277 ( -6.871 -5.716 0.000) 8.937 18.277 ( -6.871 5.716 0.000) 8.937 20.151 ( 13.304 -11.887 0.000) 17.840 20.151 ( 13.304 11.887 0.000) 17.840 20.786 ( 0.483 -2.379 0.000) 2.428 20.786 ( 0.483 2.379 0.000) 2.428 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 10.239 -22.094 0.000) 24.351 2.367 ( 10.239 22.094 0.000) 24.351 2.700 ( 12.229 -22.610 0.000) 25.705 2.700 ( 12.229 22.610 0.000) 25.705 3.453 ( -9.642 -8.514 0.000) 12.863 3.453 ( -9.642 8.514 0.000) 12.863 4.374 ( 10.624 -21.860 0.000) 24.305 4.374 ( 10.624 21.860 0.000) 24.305 4.376 ( -15.337 -4.904 0.000) 16.102 4.376 ( -15.337 4.904 0.000) 16.102 4.691 ( -18.617 -13.680 0.000) 23.103 4.691 ( -18.617 13.680 0.000) 23.103 5.285 ( 7.091 -8.144 0.000) 10.798 5.285 ( 7.091 8.144 0.000) 10.798 5.543 ( -0.569 -9.447 0.000) 9.464 5.543 ( -0.569 9.447 0.000) 9.464 5.972 ( -2.261 -12.462 0.000) 12.666 5.972 ( -2.261 12.462 0.000) 12.666 6.233 ( 8.587 -12.257 0.000) 14.966 6.233 ( 8.587 12.257 0.000) 14.966 6.414 ( -7.187 -7.619 0.000) 10.474 6.414 ( -7.187 7.619 0.000) 10.474 6.940 ( 9.324 -16.609 0.000) 19.048 6.940 ( 9.324 16.609 0.000) 19.048 7.876 ( 11.973 -3.149 0.000) 12.380 7.876 ( 11.973 3.149 0.000) 12.380 8.207 ( -4.765 -8.984 0.000) 10.170 8.207 ( -4.765 8.984 0.000) 10.170 8.507 ( -4.932 -2.382 0.000) 5.477 8.507 ( -4.932 2.382 0.000) 5.477 8.834 ( -6.463 -9.416 0.000) 11.421 8.834 ( -6.463 9.416 0.000) 11.421 9.419 ( 19.182 -16.623 0.000) 25.383 9.419 ( 19.182 16.623 0.000) 25.383 10.213 ( -5.947 -8.269 0.000) 10.185 10.213 ( -5.947 8.269 0.000) 10.185 10.772 ( 2.973 -5.043 0.000) 5.854 10.772 ( 2.973 5.043 0.000) 5.854 11.295 ( 0.577 -12.025 0.000) 12.039 11.295 ( 0.577 12.025 0.000) 12.039 12.165 ( -4.748 -3.511 0.000) 5.905 12.165 ( -4.748 3.511 0.000) 5.905 12.218 ( -6.166 -8.605 0.000) 10.587 12.218 ( -6.166 8.605 0.000) 10.587 13.337 ( 5.493 -14.167 0.000) 15.195 13.337 ( 5.493 14.167 0.000) 15.195 13.957 ( -5.023 -18.122 0.000) 18.805 13.957 ( -5.023 18.122 0.000) 18.805 15.273 ( 29.281 -5.367 0.000) 29.769 15.273 ( 29.281 5.367 0.000) 29.769 16.008 ( 6.369 -33.651 0.000) 34.249 16.008 ( 6.369 33.651 0.000) 34.249 17.222 ( -18.380 -7.629 0.000) 19.900 17.222 ( -18.380 7.629 0.000) 19.900 18.072 ( -14.214 -5.848 0.000) 15.370 18.072 ( -14.214 5.848 0.000) 15.370 20.423 ( 13.014 -11.061 0.000) 17.079 20.423 ( 13.014 11.061 0.000) 17.079 20.798 ( 0.667 -1.650 0.000) 1.780 20.798 ( 0.667 1.650 0.000) 1.780 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 8.807 -19.544 0.000) 21.437 2.556 ( 8.807 19.544 0.000) 21.437 2.928 ( 8.986 -10.184 0.000) 13.582 2.928 ( 8.986 10.184 0.000) 13.582 3.273 ( -5.943 -5.338 0.000) 7.988 3.273 ( -5.943 5.338 0.000) 7.988 4.099 ( -13.556 -3.731 0.000) 14.060 4.099 ( -13.556 3.731 0.000) 14.060 4.340 ( -15.340 -16.259 0.000) 22.354 4.340 ( -15.340 16.259 0.000) 22.354 4.419 ( -5.079 -6.850 0.000) 8.528 4.419 ( -5.079 6.850 0.000) 8.528 5.444 ( 8.802 -10.412 0.000) 13.634 5.444 ( 8.802 10.412 0.000) 13.634 5.709 ( 11.611 -3.322 0.000) 12.077 5.709 ( 11.611 3.322 0.000) 12.077 5.961 ( 5.053 -12.106 0.000) 13.118 5.961 ( 5.053 12.106 0.000) 13.118 6.335 ( 1.981 -7.841 0.000) 8.087 6.335 ( 1.981 7.841 0.000) 8.087 6.380 ( 3.731 -15.404 0.000) 15.850 6.380 ( 3.731 15.404 0.000) 15.850 7.143 ( 9.867 -13.768 0.000) 16.939 7.143 ( 9.867 13.768 0.000) 16.939 7.891 ( -21.294 -12.685 0.000) 24.786 7.891 ( -21.294 12.685 0.000) 24.786 8.011 ( -0.143 -9.558 0.000) 9.559 8.011 ( -0.143 9.558 0.000) 9.559 8.581 ( 7.317 -6.684 0.000) 9.910 8.581 ( 7.317 6.684 0.000) 9.910 8.739 ( -2.104 -4.880 0.000) 5.314 8.739 ( -2.104 4.880 0.000) 5.314 9.715 ( 11.111 -17.047 0.000) 20.348 9.715 ( 11.111 17.047 0.000) 20.348 10.097 ( -5.815 -9.714 0.000) 11.321 10.097 ( -5.815 9.714 0.000) 11.321 10.873 ( 7.447 -7.940 0.000) 10.886 10.873 ( 7.447 7.940 0.000) 10.886 11.289 ( -1.602 -13.998 0.000) 14.090 11.289 ( -1.602 13.998 0.000) 14.090 12.056 ( -5.692 -5.059 0.000) 7.615 12.056 ( -5.692 5.059 0.000) 7.615 12.096 ( -5.984 -9.415 0.000) 11.156 12.096 ( -5.984 9.415 0.000) 11.156 13.462 ( 6.921 -15.172 0.000) 16.676 13.462 ( 6.921 15.172 0.000) 16.676 13.849 ( -5.909 -19.685 0.000) 20.553 13.849 ( -5.909 19.685 0.000) 20.553 15.908 ( 34.685 -5.821 0.000) 35.170 15.908 ( 34.685 5.821 0.000) 35.170 16.158 ( 8.976 -30.644 0.000) 31.932 16.158 ( 8.976 30.644 0.000) 31.932 16.886 ( -15.863 -14.061 0.000) 21.198 16.886 ( -15.863 14.061 0.000) 21.198 17.719 ( -21.960 -6.045 0.000) 22.777 17.719 ( -21.960 6.045 0.000) 22.777 20.632 ( 8.265 -8.116 0.000) 11.584 20.632 ( 8.265 8.116 0.000) 11.584 20.808 ( 0.214 -0.544 0.000) 0.585 20.808 ( 0.214 0.544 0.000) 0.585 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 8.388 -17.448 0.000) 19.359 2.718 ( 8.388 17.448 0.000) 19.359 2.895 ( -9.016 -14.993 0.000) 17.495 2.895 ( -9.016 14.993 0.000) 17.495 3.405 ( 16.569 -10.935 0.000) 19.852 3.405 ( 16.569 10.935 0.000) 19.852 3.773 ( -19.446 -5.519 0.000) 20.214 3.773 ( -19.446 5.519 0.000) 20.214 4.194 ( 0.139 -13.463 0.000) 13.463 4.194 ( 0.139 13.463 0.000) 13.463 4.279 ( -7.181 -9.426 0.000) 11.850 4.279 ( -7.181 9.426 0.000) 11.850 5.611 ( 7.857 -13.522 0.000) 15.639 5.611 ( 7.857 13.522 0.000) 15.639 5.736 ( -4.547 -16.068 0.000) 16.699 5.736 ( -4.547 16.068 0.000) 16.699 6.207 ( 10.450 -17.984 0.000) 20.800 6.207 ( 10.450 17.984 0.000) 20.800 6.322 ( -2.987 -9.279 0.000) 9.748 6.322 ( -2.987 9.279 0.000) 9.748 6.620 ( 22.639 -26.115 0.000) 34.561 6.620 ( 22.639 26.115 0.000) 34.561 7.103 ( -19.760 -15.520 0.000) 25.127 7.103 ( -19.760 15.520 0.000) 25.127 7.671 ( 5.141 -12.536 0.000) 13.550 7.671 ( 5.141 12.536 0.000) 13.550 7.879 ( -11.387 -14.058 0.000) 18.091 7.879 ( -11.387 14.058 0.000) 18.091 8.701 ( 4.205 -6.173 0.000) 7.469 8.701 ( 4.205 6.173 0.000) 7.469 8.736 ( 0.214 -4.390 0.000) 4.395 8.736 ( 0.214 4.390 0.000) 4.395 9.877 ( 6.299 -14.434 0.000) 15.748 9.877 ( 6.299 14.434 0.000) 15.748 9.987 ( -5.437 -11.684 0.000) 12.887 9.987 ( -5.437 11.684 0.000) 12.887 11.048 ( 9.619 -11.565 0.000) 15.043 11.048 ( 9.619 11.565 0.000) 15.043 11.213 ( -6.504 -14.200 0.000) 15.618 11.213 ( -6.504 14.200 0.000) 15.618 11.977 ( -1.604 -6.829 0.000) 7.015 11.977 ( -1.604 6.829 0.000) 7.015 11.999 ( -3.489 -8.596 0.000) 9.277 11.999 ( -3.489 8.596 0.000) 9.277 13.598 ( 6.923 -16.551 0.000) 17.940 13.598 ( 6.923 16.551 0.000) 17.940 13.729 ( -6.438 -18.430 0.000) 19.523 13.729 ( -6.438 18.430 0.000) 19.523 16.355 ( 11.147 -26.438 0.000) 28.692 16.355 ( 11.147 26.438 0.000) 28.692 16.553 ( 12.139 -8.680 0.000) 14.923 16.553 ( 12.139 8.680 0.000) 14.923 16.636 ( 8.621 -6.353 0.000) 10.709 16.636 ( 8.621 6.353 0.000) 10.709 17.218 ( -29.123 -6.276 0.000) 29.792 17.218 ( -29.123 6.276 0.000) 29.792 20.750 ( 4.041 -4.755 0.000) 6.240 20.750 ( 4.041 4.755 0.000) 6.240 20.800 ( -1.247 -1.949 0.000) 2.314 20.800 ( -1.247 1.949 0.000) 2.314 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 0.000 34.716) 34.716 0.780 ( 0.000 0.000 38.041) 38.041 1.331 ( 0.000 0.000 65.006) 65.006 2.915 ( 0.000 0.000 11.611) 11.611 3.159 ( 0.000 0.000 7.107) 7.107 4.081 ( 0.000 0.000 -0.920) 0.920 4.178 ( 0.000 0.000 -13.252) 13.252 4.247 ( 0.000 0.000 -8.918) 8.918 4.469 ( 0.000 0.000 -1.236) 1.236 4.643 ( 0.000 0.000 3.885) 3.885 4.753 ( 0.000 0.000 -16.371) 16.371 4.793 ( 0.000 0.000 -1.079) 1.079 4.885 ( 0.000 0.000 6.793) 6.793 4.989 ( 0.000 0.000 -31.901) 31.901 5.438 ( 0.000 0.000 2.640) 2.640 5.729 ( 0.000 0.000 -2.194) 2.194 5.918 ( 0.000 0.000 -17.390) 17.390 6.191 ( 0.000 0.000 10.165) 10.165 6.499 ( 0.000 0.000 9.171) 9.171 6.602 ( 0.000 0.000 -2.661) 2.661 6.611 ( 0.000 0.000 5.365) 5.365 6.951 ( 0.000 0.000 22.833) 22.833 7.206 ( 0.000 0.000 -18.468) 18.468 7.571 ( 0.000 0.000 -1.907) 1.907 7.594 ( 0.000 0.000 -5.793) 5.793 7.704 ( 0.000 0.000 -7.709) 7.709 7.759 ( 0.000 0.000 -12.114) 12.114 7.857 ( 0.000 0.000 5.529) 5.529 8.016 ( 0.000 0.000 12.619) 12.619 8.525 ( 0.000 0.000 17.943) 17.943 8.632 ( 0.000 0.000 6.952) 6.952 8.802 ( 0.000 0.000 2.623) 2.623 8.996 ( 0.000 0.000 -0.778) 0.778 9.293 ( 0.000 0.000 -15.897) 15.897 10.324 ( 0.000 0.000 2.666) 2.666 10.359 ( 0.000 0.000 4.092) 4.092 10.770 ( 0.000 0.000 -3.468) 3.468 10.796 ( 0.000 0.000 0.529) 0.529 10.892 ( 0.000 0.000 4.924) 4.924 10.992 ( 0.000 0.000 -1.505) 1.505 12.061 ( 0.000 0.000 -14.953) 14.953 12.402 ( 0.000 0.000 -10.336) 10.336 12.439 ( 0.000 0.000 -1.461) 1.461 12.553 ( 0.000 0.000 -2.725) 2.725 12.793 ( 0.000 0.000 9.489) 9.489 13.783 ( 0.000 0.000 9.676) 9.676 14.331 ( 0.000 0.000 2.294) 2.294 14.464 ( 0.000 0.000 3.984) 3.984 14.586 ( 0.000 0.000 11.524) 11.524 14.947 ( 0.000 0.000 10.077) 10.077 15.054 ( 0.000 0.000 3.826) 3.826 17.365 ( 0.000 0.000 -6.398) 6.398 17.562 ( 0.000 0.000 -6.604) 6.604 17.794 ( 0.000 0.000 -6.144) 6.144 17.873 ( 0.000 0.000 -1.022) 1.022 17.977 ( 0.000 0.000 -19.349) 19.349 19.729 ( 0.000 0.000 17.336) 17.336 20.429 ( 0.000 0.000 0.924) 0.924 20.729 ( 0.000 0.000 -0.270) 0.270 20.825 ( 0.000 0.000 -1.305) 1.305 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 24.694 0.000 24.174) 34.557 1.041 ( 28.030 0.000 22.106) 35.698 1.951 ( 50.183 0.000 45.065) 67.448 2.985 ( 7.900 0.000 9.028) 11.996 3.326 ( 14.417 0.000 6.778) 15.931 4.081 ( -2.179 0.000 -5.140) 5.583 4.109 ( -7.575 0.000 -10.882) 13.259 4.239 ( -1.406 0.000 -6.351) 6.505 4.260 ( -16.140 0.000 -1.836) 16.244 4.603 ( -4.308 0.000 1.034) 4.431 4.629 ( -11.163 0.000 -4.076) 11.884 4.828 ( -12.196 0.000 -21.335) 24.575 4.881 ( 5.954 0.000 -13.159) 14.443 4.965 ( 7.449 0.000 8.429) 11.248 5.399 ( 1.065 0.000 -3.600) 3.754 5.734 ( 0.279 0.000 -1.682) 1.705 5.774 ( -7.430 0.000 -7.579) 10.613 6.204 ( -7.931 0.000 -1.102) 8.008 6.476 ( -9.914 0.000 2.411) 10.203 6.488 ( -8.494 0.000 0.298) 8.499 6.616 ( 9.458 0.000 14.793) 17.558 6.969 ( -22.890 0.000 15.796) 27.811 7.115 ( 10.030 0.000 10.579) 14.578 7.313 ( -1.976 0.000 -5.095) 5.464 7.402 ( -14.133 0.000 -1.215) 14.185 7.414 ( -12.207 0.000 -7.419) 14.285 7.803 ( 6.204 0.000 -6.252) 8.808 8.004 ( 13.237 0.000 3.862) 13.789 8.224 ( 13.426 0.000 9.802) 16.623 8.549 ( 9.288 0.000 12.061) 15.223 8.777 ( 12.039 0.000 6.688) 13.772 8.935 ( -6.112 0.000 -1.454) 6.282 9.214 ( -0.871 0.000 -18.342) 18.362 9.873 ( 35.846 0.000 -36.176) 50.928 10.212 ( -7.261 0.000 -1.617) 7.439 10.373 ( 1.430 0.000 4.424) 4.650 10.764 ( -1.377 0.000 -0.518) 1.471 10.856 ( -2.948 0.000 3.717) 4.744 10.888 ( 10.748 0.000 -4.723) 11.740 11.051 ( 5.394 0.000 0.321) 5.404 12.052 ( -1.744 0.000 -13.555) 13.667 12.353 ( -4.354 0.000 -6.055) 7.458 12.424 ( -0.403 0.000 -2.966) 2.993 12.510 ( -4.378 0.000 -2.476) 5.030 12.786 ( -0.607 0.000 9.799) 9.818 13.698 ( -37.010 0.000 42.983) 56.721 13.827 ( 4.276 0.000 9.034) 9.995 14.442 ( 1.757 0.000 -1.003) 2.023 14.814 ( 19.136 0.000 15.113) 24.384 14.842 ( -6.756 0.000 -1.438) 6.908 15.157 ( 17.699 0.000 14.704) 23.010 17.193 ( -18.907 0.000 -17.467) 25.740 17.495 ( -1.641 0.000 1.462) 2.198 17.845 ( -1.612 0.000 -2.359) 2.857 18.047 ( 2.379 0.000 -9.856) 10.139 18.249 ( 17.594 0.000 -19.681) 26.399 19.806 ( 7.523 0.000 12.858) 14.898 20.438 ( 0.934 0.000 0.332) 0.991 20.721 ( -0.816 0.000 -0.531) 0.974 20.761 ( -3.942 0.000 -6.172) 7.323 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 32.200 0.000 9.784) 33.654 1.648 ( 32.228 0.000 10.653) 33.943 3.018 ( 55.780 0.000 28.331) 62.563 3.218 ( 15.182 0.000 6.814) 16.641 3.534 ( -0.907 0.000 -1.609) 1.847 3.942 ( -13.053 0.000 0.209) 13.055 3.953 ( -10.967 0.000 -2.533) 11.256 3.964 ( -2.997 0.000 1.556) 3.377 4.176 ( -4.948 0.000 -5.684) 7.536 4.405 ( -11.458 0.000 -11.105) 15.957 4.436 ( -11.042 0.000 -12.089) 16.373 4.726 ( 1.482 0.000 -9.134) 9.254 4.939 ( 2.281 0.000 0.691) 2.384 5.187 ( 13.430 0.000 -0.509) 13.440 5.353 ( -6.861 0.000 1.658) 7.058 5.719 ( -2.792 0.000 -9.641) 10.038 5.735 ( -0.057 0.000 -1.196) 1.197 5.996 ( -11.103 0.000 -8.946) 14.259 6.139 ( -15.678 0.000 17.103) 23.201 6.306 ( -10.283 0.000 -2.577) 10.601 6.679 ( -8.082 0.000 8.234) 11.537 6.875 ( 13.483 0.000 9.984) 16.777 7.057 ( -14.071 0.000 -4.485) 14.769 7.198 ( -8.889 0.000 -10.336) 13.632 7.231 ( -4.196 0.000 -1.947) 4.626 7.396 ( 6.987 0.000 -9.463) 11.763 8.064 ( 19.604 0.000 6.770) 20.740 8.287 ( 13.446 0.000 2.422) 13.662 8.372 ( -1.645 0.000 1.877) 2.496 8.735 ( 8.058 0.000 11.080) 13.700 8.789 ( -6.256 0.000 1.216) 6.373 9.005 ( 9.862 0.000 6.779) 11.967 9.198 ( 0.982 0.000 -9.754) 9.804 9.913 ( -11.080 0.000 -0.317) 11.084 10.294 ( 4.087 0.000 -20.229) 20.638 10.413 ( 2.609 0.000 5.214) 5.830 10.699 ( -5.160 0.000 1.136) 5.283 10.788 ( -4.031 0.000 4.167) 5.797 11.193 ( 9.165 0.000 1.255) 9.251 11.194 ( 17.036 0.000 -15.318) 22.910 11.981 ( -4.844 0.000 -8.121) 9.456 12.267 ( -4.057 0.000 -5.902) 7.162 12.385 ( -8.376 0.000 -1.814) 8.570 12.432 ( 0.239 0.000 -2.616) 2.627 12.789 ( 1.690 0.000 11.341) 11.466 13.244 ( -12.538 0.000 34.107) 36.338 13.935 ( 6.379 0.000 7.264) 9.667 14.558 ( 9.941 0.000 -7.447) 12.421 14.713 ( -7.171 0.000 -3.376) 7.926 15.286 ( 28.520 0.000 17.946) 33.696 15.639 ( 30.373 0.000 13.348) 33.176 16.727 ( -26.779 0.000 -20.094) 33.480 17.493 ( 0.244 0.000 3.845) 3.853 17.807 ( -2.522 0.000 -2.424) 3.498 18.005 ( -6.512 0.000 0.537) 6.534 18.322 ( -6.860 0.000 -3.523) 7.712 19.998 ( 11.308 0.000 4.783) 12.278 20.465 ( 1.872 0.000 -1.321) 2.291 20.695 ( -1.921 0.000 -1.237) 2.285 20.703 ( -2.246 0.000 -11.736) 11.949 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 30.342 0.000 4.694) 30.703 2.252 ( 28.653 0.000 3.457) 28.861 3.338 ( -11.889 0.000 -7.562) 14.090 3.535 ( 11.531 0.000 6.121) 13.055 3.640 ( -9.055 0.000 5.703) 10.701 3.662 ( -18.028 0.000 1.792) 18.117 3.941 ( 22.158 0.000 11.480) 24.955 4.023 ( -5.074 0.000 -0.995) 5.171 4.084 ( -2.135 0.000 -7.453) 7.753 4.219 ( -4.338 0.000 -2.185) 4.858 4.350 ( 15.658 0.000 -11.363) 19.346 4.808 ( 5.806 0.000 -3.316) 6.686 5.031 ( 8.229 0.000 -2.006) 8.470 5.212 ( -6.511 0.000 -1.477) 6.677 5.438 ( 10.504 0.000 -0.102) 10.505 5.459 ( -18.542 0.000 5.620) 19.375 5.737 ( -10.512 0.000 16.439) 19.512 5.738 ( 0.640 0.000 -2.465) 2.547 6.095 ( -10.657 0.000 -7.656) 13.121 6.161 ( 7.575 0.000 -12.237) 14.392 6.548 ( -5.440 0.000 0.757) 5.492 6.819 ( -8.808 0.000 -3.169) 9.360 7.028 ( -8.893 0.000 -9.588) 13.077 7.083 ( -10.141 0.000 -5.588) 11.579 7.135 ( 12.462 0.000 2.393) 12.690 7.567 ( 9.631 0.000 -8.903) 13.115 8.140 ( -17.567 0.000 -6.053) 18.580 8.401 ( -4.537 0.000 -4.768) 6.582 8.479 ( 21.053 0.000 10.085) 23.344 8.775 ( 5.997 0.000 7.254) 9.412 8.881 ( 6.212 0.000 13.855) 15.183 9.126 ( 1.957 0.000 7.376) 7.631 9.265 ( 5.241 0.000 -0.945) 5.325 9.713 ( -9.135 0.000 1.645) 9.282 10.324 ( 0.796 0.000 -11.577) 11.604 10.472 ( 3.323 0.000 5.985) 6.846 10.578 ( -6.701 0.000 0.057) 6.701 10.703 ( -4.499 0.000 5.336) 6.979 11.405 ( 12.375 0.000 1.280) 12.441 11.475 ( 11.426 0.000 -13.389) 17.601 11.882 ( -5.233 0.000 -5.569) 7.642 12.188 ( -11.613 0.000 -0.922) 11.649 12.210 ( -1.277 0.000 -4.359) 4.543 12.399 ( -3.546 0.000 -0.109) 3.548 12.863 ( 5.341 0.000 10.192) 11.507 13.099 ( -4.086 0.000 21.032) 21.425 14.069 ( 7.309 0.000 4.681) 8.680 14.558 ( -8.542 0.000 -2.663) 8.947 14.821 ( 16.690 0.000 -12.063) 20.593 15.897 ( 33.244 0.000 17.865) 37.740 16.190 ( -27.610 0.000 -19.102) 33.574 16.293 ( 35.387 0.000 11.932) 37.345 17.448 ( -7.716 0.000 6.758) 10.257 17.738 ( -4.088 0.000 -1.461) 4.341 17.849 ( -6.868 0.000 4.340) 8.124 18.057 ( -19.303 0.000 4.820) 19.896 20.220 ( 10.956 0.000 -0.609) 10.973 20.509 ( 2.575 0.000 -3.719) 4.524 20.643 ( -3.553 0.000 -2.162) 4.159 20.662 ( -2.136 0.000 -11.917) 12.107 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 20.446 0.000 -1.491) 20.501 2.764 ( 26.912 0.000 2.893) 27.067 3.078 ( -15.593 0.000 -6.063) 16.730 3.254 ( -23.225 0.000 2.318) 23.340 3.508 ( 5.668 0.000 2.277) 6.108 3.742 ( -13.174 0.000 -4.803) 14.022 3.908 ( 12.194 0.000 9.042) 15.181 3.987 ( -0.209 0.000 -8.581) 8.584 4.025 ( -3.736 0.000 -7.530) 8.405 4.133 ( -8.141 0.000 9.444) 12.468 4.894 ( 12.545 0.000 4.889) 13.464 4.965 ( 15.132 0.000 -5.215) 16.005 5.077 ( -7.454 0.000 0.970) 7.516 5.192 ( -7.577 0.000 1.083) 7.654 5.257 ( 13.503 0.000 -7.431) 15.413 5.482 ( -7.092 0.000 -4.694) 8.504 5.709 ( 11.729 0.000 21.841) 24.791 5.802 ( 5.984 0.000 -4.079) 7.242 5.924 ( -6.690 0.000 -6.985) 9.672 6.083 ( -17.477 0.000 7.346) 18.958 6.591 ( 10.169 0.000 -15.137) 18.236 6.747 ( 1.902 0.000 -2.568) 3.196 6.821 ( -11.949 0.000 -14.809) 19.029 6.876 ( -9.947 0.000 -4.060) 10.744 7.378 ( 12.663 0.000 -0.891) 12.694 7.622 ( -9.585 0.000 -4.629) 10.644 7.960 ( 6.335 0.000 -9.670) 11.560 8.196 ( -13.572 0.000 -9.852) 16.771 8.844 ( 15.685 0.000 9.615) 18.398 8.910 ( 5.480 0.000 12.314) 13.478 8.956 ( 0.921 0.000 14.058) 14.088 9.073 ( -7.405 0.000 8.435) 11.224 9.389 ( 7.384 0.000 1.475) 7.530 9.545 ( -8.346 0.000 2.244) 8.642 10.361 ( 3.308 0.000 -6.776) 7.540 10.452 ( -5.856 0.000 -2.905) 6.537 10.541 ( 3.715 0.000 6.346) 7.354 10.617 ( -4.182 0.000 6.149) 7.437 11.651 ( 7.210 0.000 -9.325) 11.787 11.666 ( 14.006 0.000 0.800) 14.029 11.775 ( -5.777 0.000 -6.293) 8.542 11.939 ( -13.657 0.000 0.009) 13.657 12.229 ( 3.062 0.000 -1.421) 3.376 12.312 ( -4.891 0.000 0.522) 4.919 12.966 ( 4.631 0.000 10.242) 11.240 13.038 ( -2.937 0.000 13.590) 13.903 14.220 ( 8.176 0.000 1.810) 8.374 14.387 ( -8.825 0.000 -0.794) 8.860 15.200 ( 21.908 0.000 -15.119) 26.618 15.666 ( -25.639 0.000 -17.335) 30.950 16.546 ( 32.190 0.000 15.813) 35.864 16.979 ( 33.987 0.000 10.430) 35.551 17.114 ( -24.897 0.000 12.275) 27.758 17.590 ( -28.109 0.000 8.443) 29.349 17.713 ( 1.335 0.000 0.556) 1.446 17.760 ( -3.207 0.000 1.624) 3.595 20.412 ( 8.565 0.000 -2.739) 8.992 20.552 ( -5.830 0.000 -2.893) 6.509 20.563 ( 2.819 0.000 -6.604) 7.180 20.616 ( -2.567 0.000 -9.601) 9.938 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 25.473 23.048) 34.352 1.139 ( 0.000 28.218 25.492) 38.027 1.931 ( 0.000 47.112 41.831) 63.003 2.871 ( 0.000 -5.113 10.374) 11.565 3.330 ( 0.000 -3.144 -2.871) 4.258 3.876 ( 0.000 -13.177 -0.777) 13.200 4.202 ( 0.000 -11.120 -7.311) 13.308 4.370 ( 0.000 13.918 -14.511) 20.107 4.439 ( 0.000 -3.432 -1.814) 3.882 4.623 ( 0.000 -6.335 -22.931) 23.790 4.752 ( 0.000 10.162 -12.318) 15.969 4.938 ( 0.000 15.654 -9.084) 18.099 4.963 ( 0.000 3.215 -11.490) 11.931 5.206 ( 0.000 14.614 1.435) 14.685 5.518 ( 0.000 6.921 3.862) 7.926 5.706 ( 0.000 -0.681 -7.351) 7.383 5.777 ( 0.000 -7.918 -14.215) 16.272 6.111 ( 0.000 -6.973 13.258) 14.980 6.317 ( 0.000 -20.466 -1.861) 20.550 6.455 ( 0.000 -4.628 11.097) 12.024 6.633 ( 0.000 -4.911 -6.015) 7.766 6.993 ( 0.000 -0.357 23.526) 23.529 7.322 ( 0.000 1.149 -1.646) 2.007 7.442 ( 0.000 -15.009 -6.899) 16.519 7.531 ( 0.000 6.490 -3.450) 7.350 7.607 ( 0.000 -7.340 -4.837) 8.790 7.750 ( 0.000 0.095 0.961) 0.966 8.028 ( 0.000 18.686 0.006) 18.686 8.178 ( 0.000 9.791 -1.287) 9.875 8.440 ( 0.000 -1.752 4.350) 4.689 8.728 ( 0.000 2.824 14.314) 14.590 8.781 ( 0.000 -1.625 2.063) 2.626 8.996 ( 0.000 -0.325 -0.885) 0.943 9.255 ( 0.000 -3.568 -14.723) 15.149 10.322 ( 0.000 -0.010 2.615) 2.615 10.457 ( 0.000 8.175 3.682) 8.966 10.658 ( 0.000 -6.806 -0.372) 6.816 10.786 ( 0.000 0.151 2.121) 2.126 10.947 ( 0.000 5.076 4.650) 6.884 11.265 ( 0.000 12.544 -12.253) 17.535 12.057 ( 0.000 -0.190 -14.439) 14.440 12.316 ( 0.000 -6.932 -8.274) 10.794 12.412 ( 0.000 -2.421 -1.870) 3.060 12.542 ( 0.000 -2.613 -5.506) 6.095 12.848 ( 0.000 6.170 9.980) 11.733 13.722 ( 0.000 -5.612 9.391) 10.940 14.300 ( 0.000 -2.765 2.759) 3.906 14.457 ( 0.000 -23.551 26.195) 35.225 14.612 ( 0.000 2.414 11.818) 12.062 14.664 ( 0.000 16.113 4.384) 16.699 14.955 ( 0.000 -1.448 15.654) 15.721 17.190 ( 0.000 -17.512 -1.953) 17.621 17.593 ( 0.000 1.677 -7.033) 7.230 17.779 ( 0.000 -1.386 -6.357) 6.507 17.938 ( 0.000 -1.440 -22.512) 22.558 18.126 ( 0.000 8.745 -23.123) 24.721 19.786 ( 0.000 5.327 16.304) 17.152 20.523 ( 0.000 7.675 1.153) 7.761 20.587 ( 0.000 -9.970 6.846) 12.094 20.802 ( 0.000 0.612 4.226) 4.270 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 20.034 20.888 18.809) 34.517 1.349 ( 20.029 23.928 17.067) 35.566 2.349 ( 37.400 34.821 33.690) 61.207 2.947 ( 7.601 -5.128 9.253) 13.027 3.350 ( 3.199 -5.683 1.897) 6.791 3.867 ( -2.494 -14.357 -2.220) 14.740 4.191 ( -3.397 -3.057 -7.828) 9.065 4.281 ( -6.303 4.058 -9.129) 11.812 4.380 ( -5.910 -5.192 -3.820) 8.745 4.534 ( -7.869 7.933 -20.476) 23.326 4.755 ( -12.217 10.288 -1.555) 16.047 4.782 ( -2.577 7.283 -16.644) 18.350 4.976 ( -0.342 3.318 -10.788) 11.292 5.184 ( -0.388 18.085 8.292) 19.899 5.376 ( -3.265 -3.232 0.345) 4.607 5.703 ( -4.468 -3.944 -8.543) 10.416 5.828 ( 4.751 6.984 -9.814) 12.948 6.078 ( -9.671 -5.903 6.238) 12.934 6.152 ( -15.212 -19.300 -2.924) 24.748 6.480 ( 8.553 -9.814 15.386) 20.155 6.613 ( -1.664 -3.816 -2.122) 4.673 6.979 ( -13.523 -0.787 17.670) 22.265 7.097 ( -6.394 -6.439 8.070) 12.144 7.305 ( -4.792 -5.190 -6.440) 9.559 7.436 ( 1.278 9.327 -6.007) 11.168 7.625 ( -8.252 16.051 -1.608) 18.119 7.812 ( 7.239 0.771 2.681) 7.758 8.062 ( 10.314 5.895 2.880) 12.224 8.294 ( 8.483 5.858 2.304) 10.563 8.553 ( 9.970 0.938 5.082) 11.229 8.752 ( 7.717 -0.741 9.578) 12.322 8.936 ( -5.757 -0.799 -1.300) 5.956 9.157 ( 1.731 -5.405 -17.356) 18.260 9.587 ( 34.743 -18.300 -16.313) 42.521 10.205 ( -9.718 0.653 1.771) 9.900 10.468 ( 1.073 7.814 3.892) 8.795 10.657 ( -1.181 -7.228 0.728) 7.360 10.814 ( 3.399 -0.772 2.241) 4.143 10.941 ( -0.505 5.530 5.114) 7.549 11.309 ( 4.260 11.101 -11.684) 16.670 12.048 ( -1.698 -0.193 -13.004) 13.116 12.281 ( -3.311 -7.707 -6.473) 10.595 12.348 ( -4.454 -2.039 -2.466) 5.484 12.548 ( -0.509 -1.620 -5.602) 5.854 12.842 ( -0.164 6.739 10.512) 12.488 13.763 ( 2.048 -5.275 9.504) 11.061 13.787 ( -25.914 6.495 29.173) 39.557 14.592 ( 2.683 11.458 -0.395) 11.775 14.635 ( 2.899 -14.066 2.486) 14.575 14.885 ( 17.800 7.623 14.257) 24.046 15.132 ( 17.576 -1.943 14.814) 23.069 17.143 ( -8.699 -9.517 -10.159) 16.415 17.380 ( -11.911 -6.685 -4.183) 14.285 17.702 ( -4.284 -8.239 -4.740) 10.426 18.017 ( 2.552 -0.899 -11.063) 11.389 18.295 ( 7.428 0.398 -16.252) 17.873 19.864 ( 7.655 5.459 11.869) 15.141 20.529 ( 0.758 7.341 0.507) 7.397 20.623 ( 2.603 -6.627 -1.408) 7.257 20.789 ( -1.269 1.457 1.933) 2.733 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 26.195 12.431 11.396) 31.154 1.835 ( 27.807 15.283 9.123) 33.016 3.084 ( 21.099 -2.483 10.093) 23.521 3.249 ( 33.843 10.942 16.035) 39.015 3.397 ( -0.929 -10.737 2.461) 11.055 3.753 ( -7.431 -9.865 -2.422) 12.586 3.999 ( -13.664 6.487 -5.572) 16.119 4.183 ( -6.808 1.114 -5.902) 9.079 4.260 ( -4.527 -7.479 -1.345) 8.845 4.417 ( -1.259 15.555 -14.393) 21.229 4.521 ( -11.198 -0.485 -4.337) 12.018 4.646 ( -8.987 6.899 -4.591) 12.225 4.996 ( 2.531 0.399 -11.590) 11.870 5.234 ( 2.366 8.093 8.568) 12.022 5.342 ( -2.045 -2.216 1.457) 3.349 5.613 ( -5.495 -5.066 -5.996) 9.581 5.767 ( -12.499 -7.362 -0.014) 14.506 5.835 ( -7.201 -3.061 3.862) 8.726 6.046 ( 7.313 6.351 -12.260) 15.625 6.541 ( -4.092 -0.446 -3.656) 5.505 6.650 ( -12.132 -0.053 10.185) 15.841 6.746 ( 11.022 -10.299 10.485) 18.371 7.072 ( -3.135 -6.184 4.905) 8.493 7.225 ( -6.833 3.245 -9.339) 12.018 7.375 ( -3.970 11.154 -7.337) 13.929 7.485 ( -3.153 13.862 -6.583) 15.666 8.062 ( 15.957 -0.422 9.188) 18.418 8.324 ( 10.695 1.679 6.251) 12.501 8.418 ( 3.322 4.920 -2.046) 6.280 8.730 ( 6.467 0.563 6.937) 9.501 8.746 ( -7.082 -3.757 0.419) 8.028 8.949 ( 7.584 -4.666 7.347) 11.544 9.170 ( 2.319 -2.518 -8.536) 9.197 9.932 ( -4.994 -0.103 -3.743) 6.241 10.120 ( 7.464 -12.282 -11.985) 18.714 10.498 ( 2.139 7.091 4.550) 8.693 10.596 ( -4.816 -7.187 1.511) 8.783 10.873 ( -1.072 5.032 3.102) 6.008 10.996 ( 9.787 -4.055 3.316) 11.101 11.419 ( 6.600 7.060 -10.400) 14.197 11.979 ( -4.704 0.067 -7.385) 8.756 12.198 ( -5.335 -8.600 -4.118) 10.926 12.268 ( -4.031 -2.073 -5.202) 6.900 12.506 ( -3.752 -1.239 -4.077) 5.678 12.865 ( 3.035 8.304 10.433) 13.675 13.390 ( -13.137 12.637 26.447) 32.120 13.868 ( 6.183 -6.160 7.310) 11.385 14.600 ( -4.798 -9.717 -1.627) 10.958 14.721 ( 10.044 14.279 -7.497) 18.999 15.334 ( 27.664 4.814 17.988) 33.347 15.606 ( 29.776 -2.984 13.195) 32.705 16.766 ( -25.024 3.401 -19.009) 31.609 17.313 ( 1.050 -17.576 3.491) 17.950 17.630 ( -3.486 -13.899 -3.499) 14.751 17.964 ( -8.043 -1.534 0.380) 8.197 18.287 ( -7.829 -3.351 -2.767) 8.954 20.057 ( 11.279 5.517 3.987) 13.174 20.552 ( 1.573 7.003 -1.169) 7.272 20.662 ( 1.160 -1.721 -7.663) 7.939 20.756 ( -2.094 2.546 -1.787) 3.750 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 24.564 3.538 7.058) 25.802 2.382 ( 27.262 9.904 3.982) 29.278 3.260 ( -10.008 -10.640 0.296) 14.610 3.363 ( 8.766 -11.033 3.050) 14.418 3.552 ( -3.133 -7.219 1.772) 8.067 3.655 ( -11.134 6.749 -1.473) 13.103 3.950 ( 1.622 0.415 -5.651) 5.894 4.042 ( -6.069 -2.085 -3.640) 7.377 4.165 ( -3.848 3.865 0.853) 5.520 4.300 ( -12.342 -5.693 -0.616) 13.606 4.493 ( 16.611 10.108 -7.446) 20.822 4.613 ( 5.135 -3.237 4.429) 7.514 5.062 ( 3.080 -6.050 -6.032) 9.081 5.211 ( -3.125 1.821 1.385) 3.873 5.262 ( -3.767 1.748 2.358) 4.776 5.517 ( -1.922 -0.632 5.801) 6.144 5.667 ( 4.104 4.571 4.222) 7.454 5.820 ( 1.709 4.371 -5.471) 7.208 6.223 ( 7.720 6.735 -13.394) 16.863 6.334 ( -13.587 6.791 -2.378) 15.374 6.559 ( 1.707 0.370 -3.131) 3.585 6.825 ( -5.749 -8.164 -2.778) 10.364 7.025 ( -10.408 11.526 -1.586) 15.610 7.108 ( 8.411 0.145 5.654) 10.136 7.272 ( -8.738 11.020 -9.668) 17.066 7.546 ( 8.350 -1.270 -7.755) 11.467 8.111 ( -15.097 -2.931 -4.093) 15.915 8.358 ( -1.072 -2.714 2.045) 3.563 8.568 ( 9.650 6.815 2.921) 12.170 8.727 ( 6.197 -4.320 8.383) 11.284 8.850 ( 6.554 -2.398 11.073) 13.089 9.062 ( 2.890 -5.180 8.553) 10.408 9.268 ( 7.089 0.894 -1.663) 7.336 9.773 ( -8.657 5.147 1.412) 10.170 10.230 ( 3.384 -8.445 -10.159) 13.638 10.486 ( -5.858 -6.781 0.467) 8.973 10.556 ( 3.641 7.134 5.043) 9.465 10.815 ( -4.064 8.465 4.733) 10.515 11.247 ( 14.189 -9.065 -0.042) 16.837 11.548 ( 6.144 2.112 -8.216) 10.474 11.885 ( -4.817 0.474 -4.390) 6.534 12.063 ( -8.784 -8.714 -1.529) 12.467 12.197 ( -2.250 -1.912 -4.967) 5.779 12.410 ( -5.750 -1.999 -1.290) 6.223 12.955 ( 5.525 8.834 9.037) 13.793 13.222 ( -5.397 11.311 17.977) 21.914 13.999 ( 7.217 -6.414 4.844) 10.802 14.473 ( -7.729 -7.847 -1.626) 11.133 14.977 ( 15.853 14.147 -11.754) 24.282 15.934 ( 32.770 3.379 17.751) 37.421 16.207 ( 6.273 -1.149 -3.157) 7.116 16.301 ( 2.591 3.566 -3.442) 5.593 17.340 ( 0.204 -13.788 4.505) 14.507 17.549 ( -5.300 -15.972 -3.117) 17.115 17.728 ( -14.361 -6.031 6.864) 17.021 18.020 ( -18.746 -3.464 5.109) 19.736 20.277 ( 10.708 5.183 -1.143) 11.951 20.589 ( 2.040 6.314 -3.413) 7.461 20.663 ( -1.309 1.917 -5.882) 6.324 20.710 ( -2.434 3.115 -6.372) 7.499 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 20.422 -5.517 4.576) 21.643 2.868 ( 21.711 9.778 -0.269) 23.813 3.020 ( -14.851 -12.302 2.254) 19.416 3.229 ( -15.253 9.140 -3.195) 18.066 3.544 ( 3.266 -0.073 2.036) 3.849 3.712 ( 2.368 -9.967 3.107) 10.705 3.751 ( -4.334 -4.685 -7.209) 9.628 3.920 ( -7.144 -10.841 -5.766) 14.207 4.056 ( -3.340 1.233 -1.078) 3.720 4.119 ( -7.365 -1.829 5.565) 9.411 4.715 ( 5.396 -12.487 4.319) 14.272 4.786 ( 1.766 -11.362 0.382) 11.505 5.081 ( 2.763 0.741 -2.498) 3.798 5.142 ( -2.665 1.044 -1.566) 3.263 5.397 ( 12.173 10.380 -7.621) 17.720 5.566 ( -0.033 11.529 -1.329) 11.606 5.790 ( 10.689 10.442 9.930) 17.941 5.886 ( 4.933 0.932 -8.008) 9.452 6.109 ( -6.611 6.858 -3.641) 10.197 6.226 ( -9.122 10.515 4.471) 14.621 6.648 ( 3.586 1.711 -12.809) 13.412 6.779 ( 0.035 1.151 -4.916) 5.049 6.794 ( -3.741 6.558 -2.579) 7.978 7.026 ( -13.190 12.331 -8.764) 20.071 7.359 ( 12.878 -2.468 -0.231) 13.114 7.602 ( -8.904 -2.044 -4.535) 10.199 7.941 ( 5.940 -2.409 -6.609) 9.207 8.173 ( -13.455 -2.715 -7.512) 15.647 8.780 ( 8.264 -3.212 10.096) 13.436 8.834 ( 2.381 -5.810 11.591) 13.182 8.971 ( 5.506 0.001 12.293) 13.470 9.060 ( -2.909 -1.806 9.534) 10.130 9.424 ( 8.710 3.732 0.279) 9.480 9.600 ( -9.078 5.084 1.435) 10.503 10.292 ( 3.580 -6.023 -5.503) 8.909 10.377 ( -5.101 -6.045 -1.897) 8.134 10.637 ( 4.470 8.037 4.964) 10.451 10.727 ( -4.697 8.912 4.969) 11.233 11.518 ( 12.765 -9.336 -2.181) 15.964 11.642 ( 2.258 -3.450 -4.785) 6.316 11.796 ( -3.388 0.833 -4.944) 6.051 11.868 ( -9.858 -5.085 -0.200) 11.094 12.205 ( 2.970 -2.740 -1.869) 4.452 12.295 ( -5.692 -2.722 -0.312) 6.317 13.059 ( 4.816 8.870 9.249) 13.690 13.140 ( -3.686 9.643 12.069) 15.882 14.149 ( 8.080 -6.612 2.146) 10.658 14.312 ( -8.517 -6.989 -0.169) 11.019 15.332 ( 20.367 12.148 -14.385) 27.737 15.765 ( -23.782 9.148 -16.379) 30.291 16.575 ( 31.915 2.651 15.330) 35.505 16.927 ( 33.060 -5.020 9.216) 34.686 17.133 ( -23.278 1.232 10.871) 25.721 17.471 ( -13.029 -15.539 1.479) 20.333 17.503 ( -2.485 -16.960 2.704) 17.353 17.620 ( -15.287 -7.623 7.613) 18.702 20.463 ( 8.180 4.535 -3.009) 9.825 20.593 ( -4.834 3.693 -3.212) 6.880 20.635 ( 1.712 5.486 -5.888) 8.228 20.671 ( -1.763 4.069 -8.564) 9.644 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 29.126 13.506) 32.105 1.801 ( 0.000 32.586 15.219) 35.965 2.657 ( 0.000 -15.578 8.934) 17.958 2.957 ( 0.000 17.533 11.193) 20.801 3.089 ( 0.000 12.180 13.657) 18.299 3.635 ( 0.000 -8.076 -2.662) 8.503 3.830 ( 0.000 -16.891 -5.888) 17.888 4.419 ( 0.000 -7.171 -22.899) 23.995 4.554 ( 0.000 7.496 -7.452) 10.570 4.814 ( 0.000 8.243 -8.985) 12.194 4.919 ( 0.000 10.750 -2.747) 11.095 4.936 ( 0.000 5.198 -16.983) 17.761 5.199 ( 0.000 4.442 -8.964) 10.005 5.331 ( 0.000 -7.513 10.860) 13.205 5.639 ( 0.000 -5.059 -26.181) 26.665 5.687 ( 0.000 7.540 6.468) 9.934 5.759 ( 0.000 -2.437 5.448) 5.968 5.867 ( 0.000 -13.614 6.402) 15.044 6.057 ( 0.000 7.514 -8.246) 11.156 6.376 ( 0.000 -1.340 6.589) 6.724 6.424 ( 0.000 -11.727 2.613) 12.015 6.961 ( 0.000 -1.202 16.192) 16.236 7.055 ( 0.000 -18.535 2.031) 18.646 7.150 ( 0.000 -13.422 2.413) 13.637 7.620 ( 0.000 2.479 0.189) 2.486 7.654 ( 0.000 0.473 3.591) 3.622 7.826 ( 0.000 10.927 0.105) 10.927 8.259 ( 0.000 -4.308 -4.725) 6.394 8.448 ( 0.000 18.772 -2.122) 18.892 8.506 ( 0.000 8.114 -4.842) 9.448 8.741 ( 0.000 -2.383 0.073) 2.384 8.805 ( 0.000 5.767 9.637) 11.231 8.952 ( 0.000 -4.509 -0.672) 4.559 9.144 ( 0.000 -6.921 -10.822) 12.846 10.333 ( 0.000 1.303 2.383) 2.716 10.510 ( 0.000 -6.857 0.793) 6.902 10.641 ( 0.000 7.927 2.784) 8.401 10.788 ( 0.000 -0.212 1.717) 1.730 11.099 ( 0.000 8.956 3.875) 9.758 11.395 ( 0.000 0.091 -3.812) 3.813 12.062 ( 0.000 0.808 -13.076) 13.101 12.167 ( 0.000 -5.900 -9.312) 11.024 12.353 ( 0.000 -2.509 -2.985) 3.899 12.441 ( 0.000 -5.880 -5.329) 7.936 13.047 ( 0.000 11.768 8.394) 14.455 13.553 ( 0.000 -10.120 8.683) 13.335 14.189 ( 0.000 -4.573 16.407) 17.032 14.230 ( 0.000 -3.472 4.471) 5.661 14.682 ( 0.000 4.008 12.477) 13.105 14.858 ( 0.000 -2.819 12.595) 12.906 15.213 ( 0.000 29.255 5.465) 29.761 16.645 ( 0.000 -32.167 1.815) 32.218 17.635 ( 0.000 2.322 -6.699) 7.090 17.740 ( 0.000 -2.226 -6.653) 7.016 17.965 ( 0.000 3.675 -23.699) 23.982 18.164 ( 0.000 -2.889 -23.472) 23.649 19.945 ( 0.000 9.358 14.327) 17.112 20.381 ( 0.000 -9.955 10.583) 14.530 20.692 ( 0.000 7.184 1.494) 7.337 20.821 ( 0.000 0.488 2.839) 2.880 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 12.052 25.654 13.033) 31.197 1.933 ( 12.353 29.688 10.928) 33.962 2.717 ( 5.767 -15.054 8.326) 18.144 3.043 ( 5.232 -13.595 4.740) 15.319 3.264 ( 18.187 35.982 15.918) 43.346 3.608 ( -1.910 -7.078 -2.318) 7.689 3.826 ( -0.292 -18.398 -4.092) 18.850 4.367 ( -5.846 -1.264 -14.867) 16.025 4.520 ( -6.086 8.998 -12.034) 16.212 4.606 ( -13.088 7.818 -7.251) 16.881 4.848 ( -0.067 -3.733 -1.686) 4.097 5.054 ( -9.296 7.390 -8.705) 14.724 5.069 ( -3.889 5.651 -13.068) 14.759 5.271 ( -4.554 -5.109 2.402) 7.253 5.523 ( -7.870 3.605 3.053) 9.179 5.608 ( 0.133 -3.749 -17.627) 18.021 5.824 ( -4.745 -0.861 0.011) 4.822 5.965 ( 7.820 -1.003 13.425) 15.569 6.067 ( -2.327 7.675 -9.859) 12.709 6.292 ( 1.661 -4.142 6.763) 8.102 6.428 ( -0.358 -10.046 2.418) 10.339 6.880 ( -14.773 -7.910 4.203) 17.276 6.936 ( -2.669 -6.660 12.858) 14.724 7.079 ( -2.500 -14.361 -5.608) 15.618 7.648 ( 6.371 8.056 2.136) 10.491 7.791 ( 10.818 -0.299 9.919) 14.680 7.960 ( 6.236 11.219 3.016) 13.185 8.209 ( -0.910 3.943 -1.199) 4.221 8.439 ( -0.395 8.869 -4.035) 9.752 8.620 ( 10.118 6.261 -3.416) 12.379 8.812 ( 0.961 4.985 5.291) 7.332 8.878 ( -5.015 -3.189 0.582) 5.972 8.998 ( 7.964 -8.916 -13.115) 17.746 9.275 ( 19.143 -11.874 -3.781) 22.842 10.246 ( -7.384 3.249 2.134) 8.345 10.494 ( -2.199 -7.728 1.374) 8.152 10.647 ( 0.541 7.655 2.977) 8.232 10.802 ( 1.720 -0.760 1.912) 2.682 11.102 ( 0.193 9.349 4.403) 10.335 11.417 ( 2.188 -0.577 -3.677) 4.317 12.055 ( -1.227 0.983 -12.065) 12.167 12.134 ( -3.309 -5.074 -8.518) 10.453 12.299 ( -4.169 -2.082 -3.363) 5.747 12.439 ( -1.092 -7.134 -4.662) 8.592 13.059 ( 1.428 12.571 8.460) 15.219 13.589 ( 3.463 -10.493 8.254) 13.792 13.952 ( -13.880 8.203 14.986) 22.012 14.348 ( 3.006 -11.742 4.721) 13.007 14.802 ( 11.580 6.985 7.795) 15.609 15.026 ( 16.573 -2.852 11.660) 20.464 15.294 ( 8.685 25.502 8.858) 28.359 16.665 ( 1.986 -31.263 1.543) 31.364 17.371 ( -20.749 3.115 -13.073) 24.722 17.561 ( -12.857 -5.482 -8.483) 16.350 18.044 ( 2.348 3.235 -11.481) 12.157 18.244 ( 2.877 -4.444 -13.451) 14.456 20.026 ( 7.785 9.426 9.836) 15.690 20.452 ( 6.268 -9.096 3.805) 11.684 20.697 ( 0.508 6.957 1.022) 7.051 20.816 ( -0.504 0.741 2.162) 2.340 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 16.560 17.981 12.135) 27.291 2.242 ( 18.606 22.535 5.193) 29.682 2.861 ( 8.335 -15.783 6.071) 18.853 3.122 ( 2.388 -14.219 3.262) 14.783 3.422 ( -4.715 -5.220 -0.403) 7.046 3.785 ( 6.545 -9.272 4.277) 12.128 3.844 ( 12.260 7.337 -2.531) 14.510 4.205 ( -10.958 7.232 -4.738) 13.958 4.264 ( -11.275 10.440 -8.136) 17.387 4.448 ( -9.527 -1.565 -3.801) 10.376 4.747 ( -13.302 1.888 -6.508) 14.928 4.824 ( -7.457 2.929 3.499) 8.743 4.994 ( -3.289 2.236 -13.954) 14.510 5.253 ( 4.116 -6.114 -1.133) 7.457 5.389 ( -4.747 4.778 -1.266) 6.853 5.568 ( -5.537 1.353 -9.039) 10.686 5.749 ( -2.934 9.835 3.903) 10.980 5.910 ( 1.021 6.299 -1.689) 6.601 6.220 ( 11.312 1.708 -5.265) 12.593 6.369 ( 0.077 -4.211 -0.881) 4.303 6.516 ( 6.420 -8.884 4.968) 12.034 6.639 ( -5.187 -1.536 5.678) 7.842 6.879 ( -2.273 -11.512 10.510) 15.753 7.098 ( 4.320 -10.579 -10.887) 15.783 7.733 ( -0.410 15.092 -4.836) 15.853 7.841 ( -11.646 17.511 -2.823) 21.219 8.043 ( 10.256 -0.957 9.705) 14.152 8.348 ( 5.470 0.241 8.473) 10.088 8.484 ( 8.295 0.007 -0.186) 8.297 8.631 ( -10.721 -6.735 -0.462) 12.670 8.801 ( 4.587 2.631 -0.930) 5.370 8.874 ( 0.610 0.225 5.475) 5.514 9.134 ( 10.131 2.012 -5.592) 11.745 9.698 ( 18.538 -16.825 -9.474) 26.768 10.091 ( -7.823 5.505 2.120) 9.798 10.420 ( -5.010 -8.779 1.605) 10.235 10.667 ( 1.871 7.573 3.433) 8.522 10.871 ( 5.678 -2.856 1.520) 6.535 11.100 ( -0.477 10.143 5.489) 11.543 11.473 ( 3.208 -2.334 -3.354) 5.195 12.000 ( -4.078 2.009 -7.149) 8.472 12.048 ( -5.422 -3.971 -7.586) 10.135 12.212 ( -4.779 -2.921 -4.478) 7.171 12.387 ( -4.097 -8.391 -3.248) 9.886 13.112 ( 4.106 13.812 8.049) 16.505 13.671 ( 1.667 -4.837 7.510) 9.087 13.717 ( -6.586 9.553 13.655) 17.919 14.341 ( -3.286 -13.924 1.983) 14.443 15.080 ( 15.332 16.452 -4.187) 22.875 15.461 ( 26.576 -0.158 10.565) 28.599 15.588 ( 22.366 10.742 16.346) 29.712 16.710 ( 0.994 -23.744 -1.641) 23.821 16.947 ( -19.930 0.097 -10.725) 22.633 17.332 ( -10.331 -13.098 -7.296) 18.207 17.983 ( -8.697 3.050 0.117) 9.217 18.190 ( -8.532 -5.406 -1.706) 10.243 20.217 ( 10.831 9.063 2.149) 14.285 20.580 ( 5.982 -5.811 -4.837) 9.641 20.710 ( 0.859 6.227 -0.373) 6.297 20.800 ( -1.201 1.432 0.453) 1.923 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 14.257 9.597 10.940) 20.373 2.634 ( 20.731 14.095 1.449) 25.110 3.000 ( 2.894 -14.171 2.100) 14.615 3.123 ( -0.257 -9.244 7.096) 11.656 3.356 ( 1.054 -9.808 -2.595) 10.200 3.697 ( -9.437 -26.232 1.702) 27.930 3.914 ( -10.766 13.454 -8.027) 19.010 3.975 ( -11.710 2.061 -6.923) 13.758 4.123 ( -6.653 -1.770 -2.336) 7.270 4.266 ( -9.500 3.964 -0.917) 10.334 4.597 ( -0.643 3.099 6.155) 6.921 4.682 ( -6.961 -3.976 4.839) 9.364 5.011 ( 6.176 5.557 -9.483) 12.608 5.345 ( -3.281 11.256 -5.903) 13.127 5.383 ( 9.018 1.064 -9.594) 13.210 5.544 ( 7.893 3.317 -2.857) 9.026 5.800 ( 7.362 8.981 3.463) 12.118 5.966 ( 2.990 5.900 -7.412) 9.934 6.297 ( -5.855 2.808 0.026) 6.493 6.411 ( 2.915 -2.569 -5.949) 7.105 6.480 ( 1.765 -4.624 3.254) 5.923 6.748 ( 6.214 6.312 -4.890) 10.118 6.952 ( 11.535 -13.819 10.085) 20.633 7.192 ( 1.280 -3.197 -8.238) 8.929 7.583 ( -10.210 15.768 -2.543) 18.956 7.649 ( -8.523 13.716 -8.469) 18.234 8.018 ( -13.605 -5.654 -2.457) 14.937 8.266 ( -8.794 -7.717 3.025) 12.084 8.616 ( 7.455 -2.241 7.171) 10.584 8.714 ( 9.904 1.541 10.998) 14.880 8.809 ( 1.814 0.261 2.473) 3.078 8.949 ( 4.036 -4.746 11.766) 13.314 9.358 ( 11.527 9.006 -4.346) 15.260 9.900 ( -3.280 3.580 -1.631) 5.122 9.999 ( 4.273 -9.957 -5.045) 11.952 10.314 ( -5.626 -9.284 0.688) 10.878 10.730 ( 4.645 8.421 3.539) 10.248 10.999 ( 3.785 3.133 0.763) 4.973 11.106 ( 4.276 1.290 5.038) 6.732 11.526 ( 1.605 -5.388 -2.657) 6.218 11.918 ( -5.220 -0.772 -2.024) 5.652 11.923 ( -5.830 1.525 -6.387) 8.781 12.122 ( -3.698 -4.744 -4.399) 7.452 12.288 ( -5.768 -8.642 -1.674) 10.524 13.211 ( 5.648 14.395 7.235) 17.072 13.536 ( -6.750 17.123 10.735) 21.307 13.808 ( 6.798 -11.405 5.448) 14.352 14.240 ( -6.570 -13.823 1.148) 15.348 15.376 ( 15.291 22.349 -10.801) 29.154 16.023 ( 30.386 2.166 12.141) 32.794 16.130 ( 29.305 -2.102 11.610) 31.591 16.468 ( -18.027 11.057 -12.878) 24.760 16.865 ( 5.929 -27.180 4.703) 28.214 17.149 ( -8.786 -19.893 -6.441) 22.681 17.713 ( -18.657 2.929 7.857) 20.455 17.922 ( -18.488 -5.453 5.850) 20.143 20.421 ( 9.645 7.861 -2.483) 12.689 20.671 ( 3.250 -1.342 -7.328) 8.128 20.728 ( 0.816 4.862 -2.582) 5.565 20.767 ( -2.168 2.319 -1.791) 3.645 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 11.566 2.026 8.565) 14.534 2.821 ( -8.519 -2.461 4.984) 10.172 3.111 ( 19.956 9.866 -1.114) 22.290 3.229 ( 8.176 -18.127 3.985) 20.281 3.413 ( -4.422 -16.960 6.003) 18.527 3.520 ( -4.990 -6.388 -7.041) 10.737 3.577 ( -14.174 -1.098 -4.699) 14.973 3.741 ( -12.343 -0.262 -8.198) 14.820 4.080 ( 1.888 2.943 4.635) 5.806 4.143 ( -3.468 5.916 3.607) 7.748 4.541 ( -2.369 -6.818 6.401) 9.647 4.571 ( -4.633 -10.141 6.158) 12.737 5.161 ( 6.679 7.962 -11.310) 15.359 5.264 ( -4.417 10.285 -9.966) 14.987 5.614 ( 12.499 -0.617 -15.812) 20.165 5.719 ( 5.116 1.795 -10.379) 11.710 5.879 ( 0.513 -1.351 -9.040) 9.155 5.993 ( -7.087 14.640 -4.970) 17.008 6.328 ( 15.360 18.021 12.339) 26.701 6.456 ( 2.298 6.136 5.781) 8.738 6.498 ( 2.727 -12.654 -4.619) 13.744 6.830 ( -12.278 7.768 -3.887) 15.039 7.074 ( 4.220 10.587 -3.901) 12.046 7.206 ( 8.020 -8.140 0.281) 11.430 7.400 ( -8.028 17.034 -7.130) 20.136 7.535 ( -8.733 -3.285 -2.624) 9.693 7.827 ( 3.544 -8.602 -2.407) 9.610 8.043 ( -13.397 -10.127 -3.599) 17.176 8.747 ( 4.684 0.135 9.887) 10.941 8.789 ( 0.286 3.118 10.101) 10.575 8.929 ( 6.223 -3.953 10.762) 13.045 8.991 ( -0.159 -4.376 11.569) 12.370 9.568 ( 10.064 10.116 -2.382) 14.467 9.753 ( -8.902 9.194 -0.057) 12.798 10.110 ( 5.180 -11.224 -4.483) 13.149 10.208 ( -5.125 -9.865 -1.432) 11.208 10.841 ( 6.322 10.565 3.401) 12.773 10.958 ( -5.101 12.301 3.497) 13.768 11.299 ( 11.812 -10.863 -0.002) 16.047 11.492 ( -6.322 -10.715 -1.343) 12.513 11.817 ( -1.831 2.591 -4.146) 5.221 11.846 ( -3.518 3.716 -1.484) 5.328 12.100 ( 1.761 -6.952 -2.366) 7.552 12.176 ( -5.341 -8.168 -1.050) 9.815 13.321 ( 5.432 14.988 7.119) 17.459 13.423 ( -5.212 16.159 8.288) 18.894 13.949 ( 7.539 -12.113 3.251) 14.633 14.098 ( -7.678 -12.999 1.697) 15.192 15.689 ( 16.975 21.072 -12.575) 29.838 16.040 ( -18.749 16.562 -13.831) 28.585 16.620 ( 27.155 -4.112 5.924) 28.096 16.755 ( 27.163 -8.121 8.338) 29.552 16.968 ( -10.582 -22.325 -6.027) 25.430 17.055 ( 15.112 -16.257 10.570) 24.584 17.273 ( -25.397 1.472 12.663) 28.417 17.491 ( -24.729 -5.915 10.999) 27.703 20.583 ( 6.861 6.203 -3.768) 9.987 20.685 ( -3.067 4.257 -3.826) 6.493 20.735 ( 0.149 1.242 -6.276) 6.399 20.739 ( 0.109 3.402 -4.893) 5.961 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.000 -24.725 9.850) 26.615 2.219 ( 0.000 24.725 9.850) 26.615 2.470 ( 0.000 -29.385 9.925) 31.016 2.470 ( 0.000 29.385 9.925) 31.016 3.590 ( 0.000 -4.490 -6.595) 7.978 3.590 ( 0.000 4.490 -6.595) 7.978 3.992 ( 0.000 -36.041 -0.578) 36.046 3.992 ( 0.000 36.041 -0.578) 36.046 4.690 ( 0.000 -6.494 -6.518) 9.201 4.690 ( 0.000 6.494 -6.518) 9.201 5.177 ( 0.000 -4.161 -5.324) 6.757 5.177 ( 0.000 4.161 -5.324) 6.757 5.207 ( 0.000 -1.597 -0.780) 1.777 5.207 ( 0.000 1.597 -0.780) 1.777 5.501 ( 0.000 -2.063 -20.802) 20.904 5.501 ( 0.000 2.063 -20.802) 20.904 5.816 ( 0.000 -3.821 11.894) 12.493 5.816 ( 0.000 3.821 11.894) 12.493 6.248 ( 0.000 -5.030 0.411) 5.047 6.248 ( 0.000 5.030 0.411) 5.047 6.588 ( 0.000 -21.976 1.727) 22.044 6.588 ( 0.000 21.976 1.727) 22.044 6.980 ( 0.000 -3.753 7.885) 8.732 6.980 ( 0.000 3.753 7.885) 8.732 7.645 ( 0.000 -0.479 5.412) 5.433 7.645 ( 0.000 0.479 5.412) 5.433 8.080 ( 0.000 -11.266 -1.369) 11.349 8.080 ( 0.000 11.266 -1.369) 11.349 8.661 ( 0.000 -5.384 -3.674) 6.518 8.661 ( 0.000 5.384 -3.674) 6.518 8.777 ( 0.000 -11.711 -1.897) 11.863 8.777 ( 0.000 11.711 -1.897) 11.863 8.973 ( 0.000 -8.657 -2.328) 8.964 8.973 ( 0.000 8.657 -2.328) 8.964 10.389 ( 0.000 -4.241 1.790) 4.603 10.389 ( 0.000 4.241 1.790) 4.603 10.759 ( 0.000 -3.104 1.887) 3.633 10.759 ( 0.000 3.104 1.887) 3.633 11.295 ( 0.000 -8.434 2.181) 8.711 11.295 ( 0.000 8.434 2.181) 8.711 12.090 ( 0.000 -1.911 -11.518) 11.676 12.090 ( 0.000 1.911 -11.518) 11.676 12.343 ( 0.000 -2.333 -4.357) 4.942 12.343 ( 0.000 2.333 -4.357) 4.942 13.310 ( 0.000 -12.504 8.073) 14.884 13.310 ( 0.000 12.504 8.073) 14.884 14.171 ( 0.000 -1.662 8.349) 8.513 14.171 ( 0.000 1.662 8.349) 8.513 14.773 ( 0.000 -4.469 13.063) 13.806 14.773 ( 0.000 4.469 13.063) 13.806 15.915 ( 0.000 -35.408 3.414) 35.572 15.915 ( 0.000 35.408 3.414) 35.572 17.688 ( 0.000 -2.571 -6.626) 7.108 17.688 ( 0.000 2.571 -6.626) 7.108 18.067 ( 0.000 -5.386 -23.164) 23.782 18.067 ( 0.000 5.386 -23.164) 23.782 20.161 ( 0.000 -10.686 12.383) 16.356 20.161 ( 0.000 10.686 12.383) 16.356 20.800 ( 0.000 -2.908 1.949) 3.501 20.800 ( 0.000 2.908 1.949) 3.501 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 7.104 -23.204 9.629) 26.107 2.292 ( 7.104 23.204 9.629) 26.107 2.553 ( 7.708 -27.242 7.368) 29.255 2.553 ( 7.708 27.242 7.368) 29.255 3.548 ( -4.228 -5.896 -5.303) 8.987 3.548 ( -4.228 5.896 -5.303) 8.987 4.093 ( 8.751 -28.363 -2.456) 29.784 4.093 ( 8.751 28.363 -2.456) 29.784 4.640 ( -4.846 -7.980 -0.885) 9.378 4.640 ( -4.846 7.980 -0.885) 9.378 4.951 ( -16.902 -15.342 -10.419) 25.092 4.951 ( -16.902 15.342 -10.419) 25.092 5.157 ( -3.687 -4.206 0.538) 5.619 5.157 ( -3.687 4.206 0.538) 5.619 5.531 ( -0.153 -4.971 -14.894) 15.702 5.531 ( -0.153 4.971 -14.894) 15.702 5.966 ( 11.293 -6.186 5.102) 13.850 5.966 ( 11.293 6.186 5.102) 13.850 6.147 ( -7.346 -4.926 4.641) 9.989 6.147 ( -7.346 4.926 4.641) 9.989 6.585 ( -0.563 -18.528 -0.251) 18.538 6.585 ( -0.563 18.528 -0.251) 18.538 6.880 ( -7.070 -2.532 3.063) 8.111 6.880 ( -7.070 2.532 3.063) 8.111 7.759 ( 10.622 -2.886 9.846) 14.768 7.759 ( 10.622 2.886 9.846) 14.768 8.151 ( 5.804 -7.134 0.455) 9.208 8.151 ( 5.804 7.134 0.455) 9.208 8.677 ( -9.214 -11.226 -2.881) 14.806 8.677 ( -9.214 11.226 -2.881) 14.806 8.799 ( 7.446 -9.486 -9.107) 15.112 8.799 ( 7.446 9.486 -9.107) 15.112 9.040 ( 9.840 -10.835 1.250) 14.690 9.040 ( 9.840 10.835 1.250) 14.690 10.345 ( -4.248 -6.057 1.930) 7.646 10.345 ( -4.248 6.057 1.930) 7.646 10.764 ( 0.668 -3.350 2.047) 3.982 10.764 ( 0.668 3.350 2.047) 3.982 11.306 ( 1.033 -8.842 2.393) 9.218 11.306 ( 1.033 8.842 2.393) 9.218 12.079 ( -1.391 -1.088 -11.141) 11.280 12.079 ( -1.391 1.088 -11.141) 11.280 12.308 ( -3.387 -3.855 -3.720) 6.338 12.308 ( -3.387 3.855 -3.720) 6.338 13.336 ( 2.649 -13.056 7.897) 15.487 13.336 ( 2.649 13.056 7.897) 15.487 14.132 ( -3.782 -9.095 7.830) 12.583 14.132 ( -3.782 9.095 7.830) 12.583 14.928 ( 15.389 -5.421 11.381) 19.893 14.928 ( 15.389 5.421 11.381) 19.893 15.953 ( 3.999 -34.290 4.040) 34.758 15.953 ( 3.999 34.290 4.040) 34.758 17.456 ( -18.117 -4.598 -11.435) 21.911 17.456 ( -18.117 4.598 -11.435) 21.911 18.137 ( 2.119 -5.176 -12.120) 13.349 18.137 ( 2.119 5.176 -12.120) 13.349 20.242 ( 7.528 -10.524 7.318) 14.866 20.242 ( 7.528 10.524 7.318) 14.866 20.800 ( 0.013 -2.674 1.456) 3.045 20.800 ( 0.013 2.674 1.456) 3.045 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 9.736 -19.892 8.918) 23.875 2.466 ( 9.736 19.892 8.918) 23.875 2.736 ( 10.577 -22.041 3.392) 24.682 2.736 ( 10.577 22.041 3.392) 24.682 3.434 ( -7.276 -9.063 -1.125) 11.677 3.434 ( -7.276 9.063 -1.125) 11.677 4.188 ( -2.737 -9.623 -9.532) 13.818 4.188 ( -2.737 9.623 -9.532) 13.818 4.487 ( -12.669 -5.024 -3.433) 14.054 4.487 ( -12.669 5.024 -3.433) 14.054 4.719 ( -4.125 -5.346 6.674) 9.494 4.719 ( -4.125 5.346 6.674) 9.494 5.095 ( -0.056 -6.776 -8.383) 10.779 5.095 ( -0.056 6.776 -8.383) 10.779 5.540 ( 2.272 -6.823 -9.564) 11.965 5.540 ( 2.272 6.823 -9.564) 11.965 5.926 ( -6.220 -5.024 -2.284) 8.315 5.926 ( -6.220 5.024 -2.284) 8.315 6.272 ( 11.215 -11.219 7.003) 17.340 6.272 ( 11.215 11.219 7.003) 17.340 6.538 ( -3.025 -10.581 6.080) 12.573 6.538 ( -3.025 10.581 6.080) 12.573 6.844 ( 4.034 -11.079 -6.091) 13.271 6.844 ( 4.034 11.079 -6.091) 13.271 7.941 ( 4.543 -5.538 2.154) 7.480 7.941 ( 4.543 5.538 2.154) 7.480 8.225 ( -3.457 -12.903 3.036) 13.699 8.225 ( -3.457 12.903 3.036) 13.699 8.507 ( -1.963 -3.735 0.337) 4.233 8.507 ( -1.963 3.735 0.337) 4.233 8.846 ( 0.305 -3.273 1.645) 3.676 8.846 ( 0.305 3.273 1.645) 3.676 9.349 ( 17.430 -15.487 -5.643) 23.990 9.349 ( 17.430 15.487 -5.643) 23.990 10.239 ( -6.216 -8.080 1.918) 10.373 10.239 ( -6.216 8.080 1.918) 10.373 10.796 ( 2.979 -4.575 2.240) 5.901 10.796 ( 2.979 4.575 2.240) 5.901 11.327 ( 0.880 -10.218 2.809) 10.634 11.327 ( 0.880 10.218 2.809) 10.634 12.030 ( -3.528 -0.729 -9.660) 10.310 12.030 ( -3.528 0.729 -9.660) 10.310 12.220 ( -5.499 -5.468 -2.389) 8.115 12.220 ( -5.499 5.468 -2.389) 8.115 13.412 ( 5.030 -13.948 7.157) 16.464 13.412 ( 5.030 13.948 7.157) 16.464 14.034 ( -5.992 -15.020 6.548) 17.447 14.034 ( -5.992 15.020 6.548) 17.447 15.337 ( 25.027 -8.632 5.967) 27.138 15.337 ( 25.027 8.632 5.967) 27.138 16.077 ( 8.997 -30.071 6.888) 32.135 16.077 ( 8.997 30.071 6.888) 32.135 17.092 ( -18.124 -9.617 -11.683) 23.610 17.092 ( -18.124 9.617 -11.683) 23.610 18.074 ( -8.702 -5.237 -0.691) 10.179 18.074 ( -8.702 5.237 -0.691) 10.179 20.416 ( 9.319 -9.192 -0.669) 13.107 20.416 ( 9.319 9.192 -0.669) 13.107 20.799 ( -0.191 -1.956 0.094) 1.968 20.799 ( -0.191 1.956 0.094) 1.968 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 8.267 -16.629 8.044) 20.238 2.644 ( 8.267 16.629 8.044) 20.238 2.958 ( 11.128 -13.496 2.147) 17.624 2.958 ( 11.128 13.496 2.147) 17.624 3.273 ( -7.937 -8.056 1.020) 11.355 3.273 ( -7.937 8.056 1.020) 11.355 4.022 ( -13.447 -3.813 -7.636) 15.927 4.022 ( -13.447 3.813 -7.636) 15.927 4.239 ( -8.054 -10.064 -4.523) 13.661 4.239 ( -8.054 10.064 -4.523) 13.661 4.608 ( -9.228 -1.805 11.168) 14.599 4.608 ( -9.228 1.805 11.168) 14.599 5.211 ( 9.583 -11.412 -12.913) 19.719 5.211 ( 9.583 11.412 -12.913) 19.719 5.602 ( 0.913 -7.709 -13.000) 15.141 5.602 ( 0.913 7.709 -13.000) 15.141 5.917 ( 7.238 -9.581 -3.362) 12.469 5.917 ( 7.238 9.581 -3.362) 12.469 6.382 ( -0.265 -5.658 0.918) 5.738 6.382 ( -0.265 5.658 0.918) 5.738 6.579 ( 8.325 -17.794 15.238) 24.862 6.579 ( 8.325 17.794 15.238) 24.862 6.994 ( 9.870 -12.807 -11.174) 19.655 6.994 ( 9.870 12.807 -11.174) 19.655 7.847 ( -14.058 -8.484 -5.245) 17.237 7.847 ( -14.058 8.484 -5.245) 17.237 8.010 ( -12.420 -14.838 0.649) 19.361 8.010 ( -12.420 14.838 0.649) 19.361 8.646 ( 10.537 -4.303 7.590) 13.680 8.646 ( 10.537 4.303 7.590) 13.680 8.868 ( 1.879 -3.335 10.189) 10.885 8.868 ( 1.879 3.335 10.189) 10.885 9.641 ( 12.113 -16.076 -6.536) 21.163 9.641 ( 12.113 16.076 -6.536) 21.163 10.111 ( -6.740 -9.419 1.029) 11.628 10.111 ( -6.740 9.419 1.029) 11.628 10.893 ( 7.143 -7.052 1.933) 10.222 10.893 ( 7.143 7.052 1.933) 10.222 11.323 ( -1.852 -12.144 2.746) 12.587 11.323 ( -1.852 12.144 2.746) 12.587 11.957 ( -3.285 -3.233 -6.920) 8.314 11.957 ( -3.285 3.233 -6.920) 8.314 12.102 ( -6.215 -6.687 -1.241) 9.213 12.102 ( -6.215 6.687 -1.241) 9.213 13.525 ( 6.298 -14.576 5.959) 16.960 13.525 ( 6.298 14.576 5.959) 16.960 13.909 ( -6.602 -17.081 5.261) 19.053 13.909 ( -6.602 17.081 5.261) 19.053 15.828 ( 22.873 -17.384 -4.699) 29.111 15.828 ( 22.873 17.384 -4.699) 29.111 16.336 ( 18.822 -18.870 14.198) 30.198 16.336 ( 18.822 18.870 14.198) 30.198 16.763 ( -15.503 -16.103 -10.552) 24.718 16.763 ( -15.503 16.103 -10.552) 24.718 17.805 ( -18.544 -5.326 6.882) 20.485 17.805 ( -18.544 5.326 6.882) 20.485 20.581 ( 7.276 -6.585 -4.718) 10.888 20.581 ( 7.276 6.585 -4.718) 10.888 20.790 ( -0.869 -0.745 -1.818) 2.148 20.790 ( -0.869 0.745 -1.818) 2.148 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 8.171 -14.938 7.376) 18.556 2.799 ( 8.171 14.938 7.376) 18.556 2.973 ( -8.845 -14.724 7.141) 18.602 2.973 ( -8.845 14.724 7.141) 18.602 3.345 ( 15.271 -8.942 -5.037) 18.399 3.345 ( 15.271 8.942 -5.037) 18.399 3.690 ( -18.640 -4.585 -7.104) 20.468 3.690 ( -18.640 4.585 -7.104) 20.468 4.232 ( 5.700 -5.694 4.052) 9.019 4.232 ( 5.700 5.694 4.052) 9.019 4.403 ( -10.637 -2.641 9.376) 14.423 4.403 ( -10.637 2.641 9.376) 14.423 5.393 ( 8.579 -12.367 -16.248) 22.148 5.393 ( 8.579 12.367 -16.248) 22.148 5.538 ( -6.069 -13.343 -16.112) 21.782 5.538 ( -6.069 13.343 -16.112) 21.782 6.139 ( 11.807 -16.218 -5.671) 20.847 6.139 ( 11.807 16.218 -5.671) 20.847 6.317 ( -6.182 -10.788 -2.896) 12.767 6.317 ( -6.182 10.788 -2.896) 12.767 6.828 ( 16.427 -21.296 13.411) 30.054 6.828 ( 16.427 21.296 13.411) 30.054 7.100 ( -5.015 -11.819 -3.197) 13.232 7.100 ( -5.015 11.819 -3.197) 13.232 7.608 ( -2.434 -10.058 -1.919) 10.525 7.608 ( -2.434 10.058 -1.919) 10.525 7.763 ( -12.800 -15.485 -6.741) 21.191 7.763 ( -12.800 15.485 -6.741) 21.191 8.820 ( 6.438 -5.531 10.235) 13.296 8.820 ( 6.438 5.531 10.235) 13.296 8.888 ( -0.704 -5.205 11.668) 12.795 8.888 ( -0.704 5.205 11.668) 12.795 9.833 ( 8.124 -13.847 -3.980) 16.540 9.833 ( 8.124 13.847 -3.980) 16.540 9.977 ( -7.001 -11.261 -1.016) 13.299 9.977 ( -7.001 11.261 -1.016) 13.299 11.064 ( 9.630 -10.181 1.415) 14.085 11.064 ( 9.630 10.181 1.415) 14.085 11.236 ( -7.167 -12.468 1.786) 14.492 11.236 ( -7.167 12.468 1.786) 14.492 11.930 ( 0.959 -6.067 -3.429) 7.034 11.930 ( 0.959 6.067 -3.429) 7.034 11.991 ( -4.848 -7.178 -1.300) 8.759 11.991 ( -4.848 7.178 -1.300) 8.759 13.651 ( 6.573 -15.403 4.953) 17.464 13.651 ( 6.573 15.403 4.953) 17.464 13.780 ( -6.592 -16.582 4.656) 18.441 13.780 ( -6.592 16.582 4.656) 18.441 16.188 ( 15.117 -24.425 -10.158) 30.468 16.188 ( 15.117 24.425 -10.158) 30.468 16.465 ( -13.762 -21.284 -9.915) 27.216 16.465 ( -13.762 21.284 -9.915) 27.216 16.826 ( 27.826 -7.265 15.920) 32.872 16.826 ( 27.826 7.265 15.920) 32.872 17.366 ( -25.925 -5.663 12.088) 29.160 17.366 ( -25.925 5.663 12.088) 29.160 20.695 ( 4.506 -3.721 -5.166) 7.800 20.695 ( 4.506 3.721 -5.166) 7.800 20.760 ( -2.274 -1.286 -3.804) 4.615 20.760 ( -2.274 1.286 -3.804) 4.615 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 0.000 32.374) 32.374 1.524 ( 0.000 0.000 35.391) 35.391 2.592 ( 0.000 0.000 58.628) 58.628 3.161 ( 0.000 0.000 9.979) 9.979 3.343 ( 0.000 0.000 10.256) 10.256 3.891 ( 0.000 0.000 -13.889) 13.889 4.029 ( 0.000 0.000 -12.116) 12.116 4.057 ( 0.000 0.000 -2.353) 2.353 4.352 ( 0.000 0.000 -18.571) 18.571 4.373 ( 0.000 0.000 -8.852) 8.852 4.385 ( 0.000 0.000 -24.745) 24.745 4.697 ( 0.000 0.000 -0.004) 0.004 4.837 ( 0.000 0.000 6.548) 6.548 5.077 ( 0.000 0.000 10.217) 10.217 5.421 ( 0.000 0.000 -16.659) 16.659 5.577 ( 0.000 0.000 -0.626) 0.626 5.738 ( 0.000 0.000 2.439) 2.439 6.267 ( 0.000 0.000 -1.287) 1.287 6.515 ( 0.000 0.000 -6.169) 6.169 6.549 ( 0.000 0.000 -0.426) 0.426 6.840 ( 0.000 0.000 9.438) 9.438 6.858 ( 0.000 0.000 -15.383) 15.383 7.268 ( 0.000 0.000 1.555) 1.555 7.488 ( 0.000 0.000 -13.623) 13.623 7.533 ( 0.000 0.000 1.873) 1.873 7.555 ( 0.000 0.000 -6.889) 6.889 7.666 ( 0.000 0.000 16.767) 16.767 7.997 ( 0.000 0.000 8.355) 8.355 8.205 ( 0.000 0.000 5.856) 5.856 8.634 ( 0.000 0.000 -25.401) 25.401 8.753 ( 0.000 0.000 4.161) 4.161 8.811 ( 0.000 0.000 3.425) 3.425 9.083 ( 0.000 0.000 15.040) 15.040 9.104 ( 0.000 0.000 4.114) 4.114 10.365 ( 0.000 0.000 0.913) 0.913 10.466 ( 0.000 0.000 6.127) 6.127 10.607 ( 0.000 0.000 -10.975) 10.975 10.864 ( 0.000 0.000 4.527) 4.527 10.948 ( 0.000 0.000 -2.753) 2.753 11.047 ( 0.000 0.000 10.447) 10.447 11.767 ( 0.000 0.000 -13.763) 13.763 12.176 ( 0.000 0.000 -10.868) 10.868 12.308 ( 0.000 0.000 -9.866) 9.866 12.459 ( 0.000 0.000 -6.876) 6.876 13.046 ( 0.000 0.000 15.237) 15.237 14.045 ( 0.000 0.000 15.095) 15.095 14.353 ( 0.000 0.000 -0.989) 0.989 14.599 ( 0.000 0.000 9.659) 9.659 14.921 ( 0.000 0.000 21.298) 21.298 14.976 ( 0.000 0.000 -2.281) 2.281 15.385 ( 0.000 0.000 22.920) 22.920 17.035 ( 0.000 0.000 -26.415) 26.415 17.360 ( 0.000 0.000 -13.458) 13.458 17.609 ( 0.000 0.000 -12.153) 12.153 17.708 ( 0.000 0.000 -5.302) 5.302 17.844 ( 0.000 0.000 -1.787) 1.787 20.085 ( 0.000 0.000 16.465) 16.465 20.457 ( 0.000 0.000 1.901) 1.901 20.720 ( 0.000 0.000 -0.685) 0.685 20.786 ( 0.000 0.000 -2.527) 2.527 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 15.654 0.000 27.094) 31.291 1.602 ( 9.613 0.000 32.163) 33.569 2.942 ( 32.010 0.000 49.397) 58.862 3.184 ( 4.374 0.000 8.400) 9.470 3.465 ( 7.699 0.000 5.013) 9.187 3.875 ( -0.295 0.000 -9.625) 9.629 3.944 ( -6.012 0.000 -10.975) 12.514 4.115 ( 2.275 0.000 -3.590) 4.250 4.169 ( -10.026 0.000 -7.106) 12.289 4.369 ( -1.396 0.000 -20.846) 20.893 4.508 ( -0.938 0.000 -13.872) 13.904 4.644 ( -6.021 0.000 1.643) 6.241 4.661 ( -6.713 0.000 1.471) 6.873 5.184 ( 7.422 0.000 11.389) 13.594 5.311 ( -5.719 0.000 -12.761) 13.984 5.522 ( -4.581 0.000 -5.783) 7.378 5.741 ( -0.007 0.000 1.835) 1.835 6.217 ( -8.184 0.000 0.990) 8.244 6.435 ( -7.999 0.000 -5.106) 9.490 6.484 ( -7.838 0.000 -1.488) 7.978 6.808 ( 2.782 0.000 -3.254) 4.281 6.895 ( -1.265 0.000 -4.935) 5.094 7.166 ( -8.769 0.000 -4.962) 10.076 7.274 ( -9.236 0.000 -1.272) 9.323 7.322 ( -13.180 0.000 -9.240) 16.096 7.514 ( -13.823 0.000 10.131) 17.138 7.893 ( 19.188 0.000 16.309) 25.182 8.101 ( 10.093 0.000 5.317) 11.408 8.353 ( 8.367 0.000 1.767) 8.551 8.663 ( -1.211 0.000 -26.121) 26.149 8.779 ( 8.092 0.000 6.690) 10.500 8.898 ( 12.307 0.000 4.404) 13.071 9.028 ( 0.148 0.000 5.014) 5.016 9.530 ( 25.307 0.000 -0.722) 25.317 10.187 ( -13.137 0.000 -2.985) 13.472 10.489 ( 2.318 0.000 6.665) 7.057 10.683 ( 3.407 0.000 -6.211) 7.084 10.906 ( 4.607 0.000 3.724) 5.924 10.925 ( -1.720 0.000 1.269) 2.138 11.108 ( 5.516 0.000 7.089) 8.982 11.769 ( -0.035 0.000 -13.543) 13.543 12.165 ( -1.291 0.000 -9.771) 9.856 12.300 ( -0.331 0.000 -9.217) 9.222 12.425 ( -3.531 0.000 -6.292) 7.215 13.043 ( -0.105 0.000 15.245) 15.245 14.067 ( 1.536 0.000 13.599) 13.685 14.180 ( -16.049 0.000 10.147) 18.988 14.491 ( -5.481 0.000 6.137) 8.228 14.807 ( -11.369 0.000 -1.833) 11.516 15.196 ( 22.415 0.000 22.369) 31.667 15.549 ( 16.735 0.000 23.117) 28.539 16.732 ( -23.117 0.000 -27.112) 35.630 17.478 ( 5.467 0.000 -4.806) 7.279 17.748 ( 1.854 0.000 -6.474) 6.734 17.884 ( 4.855 0.000 -4.752) 6.793 17.887 ( 20.756 0.000 -17.202) 26.958 20.091 ( 0.765 0.000 13.984) 14.005 20.450 ( -0.755 0.000 0.890) 1.167 20.676 ( -9.519 0.000 -3.007) 9.983 20.705 ( -1.551 0.000 -1.136) 1.922 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 20.669 0.000 20.916) 29.406 1.937 ( 21.894 0.000 16.955) 27.692 3.342 ( 8.597 0.000 -1.008) 8.655 3.449 ( -6.905 0.000 -1.430) 7.051 3.680 ( 38.357 0.000 30.174) 48.803 3.806 ( -6.970 0.000 -9.987) 12.179 3.953 ( -4.070 0.000 1.416) 4.309 4.017 ( 6.080 0.000 1.376) 6.234 4.097 ( -3.143 0.000 -1.693) 3.569 4.235 ( -16.564 0.000 -3.690) 16.970 4.281 ( -10.673 0.000 -2.065) 10.870 4.566 ( 3.423 0.000 -4.811) 5.904 4.755 ( 7.018 0.000 -12.355) 14.209 5.336 ( 6.980 0.000 -22.187) 23.260 5.355 ( 10.488 0.000 11.496) 15.562 5.391 ( -7.935 0.000 0.822) 7.977 5.721 ( -2.540 0.000 -1.070) 2.756 5.954 ( -16.948 0.000 2.272) 17.100 6.212 ( -14.213 0.000 -5.190) 15.131 6.321 ( -7.266 0.000 -0.464) 7.281 6.710 ( -13.321 0.000 -6.150) 14.672 6.928 ( 4.679 0.000 -3.322) 5.738 6.936 ( -12.997 0.000 -7.218) 14.867 7.105 ( -8.954 0.000 -9.433) 13.006 7.192 ( -7.135 0.000 5.986) 9.314 7.317 ( 3.016 0.000 5.480) 6.255 8.241 ( -2.204 0.000 -6.556) 6.917 8.318 ( 22.896 0.000 16.661) 28.317 8.336 ( -7.928 0.000 -11.969) 14.356 8.697 ( 8.512 0.000 -1.834) 8.708 9.005 ( 9.713 0.000 10.557) 14.346 9.121 ( 9.691 0.000 2.339) 9.969 9.139 ( 10.793 0.000 5.454) 12.093 9.869 ( 1.667 0.000 -1.881) 2.513 9.980 ( -0.063 0.000 -9.485) 9.485 10.551 ( 3.820 0.000 7.934) 8.806 10.682 ( -3.558 0.000 -2.477) 4.336 10.888 ( -2.082 0.000 4.830) 5.259 11.057 ( 10.566 0.000 -1.251) 10.639 11.250 ( 8.972 0.000 5.094) 10.318 11.759 ( -1.137 0.000 -11.873) 11.928 12.129 ( -1.973 0.000 -7.086) 7.356 12.308 ( 0.857 0.000 -8.848) 8.889 12.322 ( -6.905 0.000 -4.628) 8.313 13.056 ( 1.791 0.000 15.079) 15.185 13.816 ( -16.993 0.000 20.286) 26.463 14.129 ( 3.160 0.000 11.038) 11.482 14.459 ( 2.537 0.000 -1.579) 2.989 14.627 ( -7.633 0.000 -4.642) 8.933 15.709 ( 29.286 0.000 23.351) 37.456 16.005 ( 28.734 0.000 21.999) 36.188 16.243 ( -26.031 0.000 -26.509) 37.153 17.546 ( 2.104 0.000 0.879) 2.281 17.746 ( -1.459 0.000 -3.435) 3.732 17.976 ( 2.245 0.000 -3.475) 4.137 18.186 ( 7.310 0.000 -10.330) 12.655 20.125 ( 2.993 0.000 7.367) 7.952 20.427 ( -1.684 0.000 -2.494) 3.009 20.494 ( -7.517 0.000 -7.511) 10.627 20.659 ( -3.167 0.000 -2.350) 3.944 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 20.151 0.000 6.610) 21.208 2.359 ( 24.507 0.000 10.571) 26.690 3.159 ( -13.768 0.000 -10.090) 17.070 3.612 ( -12.380 0.000 -8.160) 14.828 3.619 ( 7.327 0.000 0.916) 7.384 3.776 ( -5.417 0.000 6.606) 8.543 3.902 ( -7.730 0.000 -4.885) 9.144 3.978 ( -7.586 0.000 0.271) 7.591 4.034 ( -10.887 0.000 -3.612) 11.471 4.238 ( 9.369 0.000 2.658) 9.739 4.507 ( 32.633 0.000 22.334) 39.544 4.744 ( 13.226 0.000 -1.517) 13.313 4.869 ( 5.296 0.000 -11.885) 13.012 5.217 ( -7.830 0.000 0.108) 7.831 5.522 ( 0.535 0.000 -4.745) 4.775 5.561 ( 0.426 0.000 8.553) 8.564 5.614 ( -0.997 0.000 -10.870) 10.916 5.662 ( -1.433 0.000 -7.747) 7.879 5.959 ( -8.810 0.000 -1.336) 8.910 6.213 ( -4.086 0.000 3.086) 5.120 6.427 ( -13.626 0.000 -5.742) 14.787 6.732 ( -7.190 0.000 -5.373) 8.976 6.925 ( -7.660 0.000 -2.490) 8.054 6.934 ( -8.786 0.000 -8.735) 12.390 7.149 ( 5.035 0.000 -1.111) 5.156 7.467 ( 9.157 0.000 1.035) 9.215 7.971 ( -18.422 0.000 -9.868) 20.898 8.174 ( -10.679 0.000 -16.843) 19.943 8.745 ( 20.042 0.000 15.005) 25.037 8.936 ( 13.022 0.000 8.090) 15.331 9.170 ( 7.303 0.000 12.169) 14.193 9.284 ( 3.505 0.000 7.226) 8.031 9.291 ( 6.565 0.000 2.496) 7.024 9.732 ( -7.517 0.000 -0.161) 7.519 10.109 ( 6.563 0.000 -7.168) 9.718 10.564 ( -7.830 0.000 -0.733) 7.865 10.631 ( 4.150 0.000 9.126) 10.025 10.840 ( -2.837 0.000 7.475) 7.995 11.279 ( 11.121 0.000 -6.479) 12.871 11.454 ( 11.682 0.000 3.825) 12.292 11.718 ( -3.347 0.000 -9.531) 10.102 12.113 ( 0.911 0.000 -4.885) 4.969 12.157 ( -9.900 0.000 -2.263) 10.155 12.309 ( -1.229 0.000 -7.640) 7.738 13.119 ( 4.574 0.000 14.388) 15.098 13.543 ( -11.197 0.000 19.852) 22.792 14.196 ( 3.621 0.000 7.236) 8.091 14.490 ( -6.597 0.000 -3.799) 7.612 14.591 ( 10.840 0.000 -9.458) 14.387 15.737 ( -25.353 0.000 -24.237) 35.074 16.308 ( 31.264 0.000 21.784) 38.105 16.623 ( 33.366 0.000 19.981) 38.891 17.549 ( -3.304 0.000 2.583) 4.194 17.714 ( -0.894 0.000 -0.623) 1.090 17.940 ( -5.477 0.000 3.655) 6.584 18.150 ( -10.487 0.000 3.013) 10.911 20.212 ( 5.770 0.000 0.041) 5.770 20.377 ( -2.212 0.000 -12.642) 12.834 20.416 ( -1.787 0.000 -7.105) 7.326 20.581 ( -4.839 0.000 -3.900) 6.215 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 13.769 0.000 -2.963) 14.084 2.838 ( 24.096 0.000 3.995) 24.425 2.921 ( -10.938 0.000 -8.987) 14.157 3.282 ( -20.789 0.000 -0.945) 20.811 3.586 ( -0.283 0.000 4.677) 4.686 3.680 ( -8.047 0.000 -0.115) 8.048 3.811 ( -0.504 0.000 -6.235) 6.255 3.870 ( -6.012 0.000 -5.861) 8.396 4.104 ( 14.006 0.000 8.837) 16.561 4.300 ( -3.978 0.000 6.372) 7.512 4.899 ( 11.154 0.000 -2.571) 11.447 5.009 ( 10.152 0.000 -15.459) 18.494 5.021 ( 3.522 0.000 0.109) 3.524 5.132 ( 4.541 0.000 10.881) 11.791 5.275 ( -16.525 0.000 -16.691) 23.488 5.310 ( -10.860 0.000 9.270) 14.278 5.778 ( 6.933 0.000 3.653) 7.837 5.866 ( -2.967 0.000 2.282) 3.743 5.981 ( 19.196 0.000 -7.622) 20.654 6.149 ( -3.325 0.000 10.795) 11.295 6.272 ( 2.700 0.000 -17.073) 17.285 6.624 ( -22.159 0.000 -0.540) 22.166 6.672 ( 1.340 0.000 -4.864) 5.045 6.769 ( -7.596 0.000 -6.414) 9.942 7.321 ( 11.275 0.000 -6.451) 12.990 7.549 ( -8.645 0.000 -2.606) 9.029 7.744 ( 4.115 0.000 -9.707) 10.544 7.941 ( -12.221 0.000 -12.998) 17.841 9.078 ( 13.684 0.000 12.453) 18.503 9.142 ( 7.641 0.000 8.840) 11.685 9.233 ( -1.400 0.000 10.737) 10.828 9.266 ( -5.349 0.000 9.667) 11.048 9.431 ( 8.484 0.000 2.372) 8.809 9.592 ( -7.527 0.000 1.791) 7.738 10.240 ( 7.370 0.000 -3.254) 8.056 10.399 ( -8.649 0.000 -1.058) 8.713 10.709 ( 3.804 0.000 9.599) 10.325 10.779 ( -3.401 0.000 9.099) 9.713 11.473 ( 8.773 0.000 -8.104) 11.943 11.622 ( -6.394 0.000 -8.359) 10.524 11.696 ( 12.800 0.000 2.284) 13.003 11.941 ( -12.067 0.000 0.201) 12.069 12.168 ( 4.294 0.000 -4.288) 6.068 12.255 ( -4.063 0.000 -5.535) 6.866 13.227 ( 6.289 0.000 14.386) 15.701 13.362 ( -7.751 0.000 16.529) 18.256 14.273 ( 4.401 0.000 3.213) 5.449 14.370 ( -5.584 0.000 -0.727) 5.631 14.872 ( 17.655 0.000 -15.921) 23.774 15.267 ( -22.492 0.000 -20.739) 30.594 16.894 ( 27.774 0.000 17.295) 32.719 17.264 ( 31.293 0.000 16.980) 35.603 17.349 ( -17.585 0.000 9.278) 19.882 17.737 ( 2.890 0.000 2.016) 3.523 17.808 ( -23.608 0.000 12.071) 26.515 17.818 ( -5.574 0.000 4.295) 7.036 20.339 ( 6.955 0.000 -4.173) 8.111 20.364 ( 0.579 0.000 -13.903) 13.915 20.386 ( -1.410 0.000 -10.744) 10.836 20.471 ( -6.328 0.000 -4.962) 8.042 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 14.894 27.396) 31.182 1.725 ( 0.000 17.736 30.664) 35.424 2.884 ( 0.000 25.730 48.437) 54.847 3.090 ( 0.000 -7.139 9.376) 11.784 3.364 ( 0.000 -2.142 5.482) 5.886 3.784 ( 0.000 -13.172 -13.169) 18.626 4.044 ( 0.000 -2.875 -9.717) 10.134 4.059 ( 0.000 2.221 -10.837) 11.062 4.221 ( 0.000 3.095 -14.439) 14.767 4.329 ( 0.000 -6.025 -9.133) 10.941 4.559 ( 0.000 0.253 -4.489) 4.496 4.608 ( 0.000 8.665 -17.233) 19.288 4.946 ( 0.000 6.567 4.203) 7.796 5.327 ( 0.000 20.265 6.727) 21.353 5.362 ( 0.000 -7.315 -21.270) 22.492 5.632 ( 0.000 8.285 7.095) 10.908 5.657 ( 0.000 -6.643 2.304) 7.031 6.237 ( 0.000 -5.878 0.155) 5.880 6.273 ( 0.000 -18.111 -3.654) 18.476 6.433 ( 0.000 -4.808 -11.210) 12.198 6.746 ( 0.000 -5.599 13.478) 14.594 7.058 ( 0.000 6.842 -18.124) 19.372 7.311 ( 0.000 -12.203 8.136) 14.666 7.425 ( 0.000 -10.475 -2.359) 10.737 7.537 ( 0.000 14.809 1.589) 14.894 7.539 ( 0.000 6.934 -1.659) 7.130 7.850 ( 0.000 7.968 11.492) 13.984 8.060 ( 0.000 9.357 4.462) 10.367 8.199 ( 0.000 -0.137 1.484) 1.490 8.521 ( 0.000 -11.130 2.168) 11.339 8.602 ( 0.000 -2.820 -24.552) 24.714 8.957 ( 0.000 3.297 -0.366) 3.317 9.064 ( 0.000 -1.196 16.788) 16.831 9.092 ( 0.000 -0.989 4.138) 4.255 10.361 ( 0.000 -0.210 0.707) 0.738 10.554 ( 0.000 7.297 5.603) 9.200 10.566 ( 0.000 -3.591 -8.662) 9.377 10.849 ( 0.000 -0.607 3.947) 3.994 11.091 ( 0.000 4.164 9.668) 10.527 11.094 ( 0.000 10.754 -5.741) 12.191 11.772 ( 0.000 0.554 -13.406) 13.418 12.121 ( 0.000 -5.037 -9.837) 11.052 12.277 ( 0.000 -2.725 -9.821) 10.192 12.419 ( 0.000 -3.933 -7.130) 8.143 13.104 ( 0.000 5.646 15.054) 16.078 13.979 ( 0.000 -6.227 14.779) 16.037 14.334 ( 0.000 -1.449 -0.160) 1.458 14.752 ( 0.000 -4.712 8.796) 9.979 14.797 ( 0.000 5.566 6.478) 8.541 14.952 ( 0.000 2.806 21.378) 21.561 15.360 ( 0.000 -1.836 23.317) 23.389 17.022 ( 0.000 -3.602 -18.814) 19.156 17.381 ( 0.000 1.723 -13.879) 13.986 17.529 ( 0.000 -13.041 -11.223) 17.205 17.599 ( 0.000 -1.383 -12.278) 12.355 17.821 ( 0.000 -2.746 -9.430) 9.821 20.114 ( 0.000 3.195 14.691) 15.034 20.561 ( 0.000 8.295 2.741) 8.736 20.632 ( 0.000 -4.864 -0.196) 4.868 20.859 ( 0.000 3.128 0.932) 3.264 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 14.172 13.664 24.153) 31.160 1.802 ( 8.720 16.942 26.807) 32.889 3.123 ( 9.232 -0.547 19.454) 21.540 3.155 ( 19.035 13.404 29.121) 37.283 3.428 ( 4.780 -5.806 5.282) 9.190 3.752 ( -3.208 -13.198 -11.504) 17.799 3.935 ( -7.778 3.588 -15.153) 17.406 4.096 ( 0.101 -1.325 -7.536) 7.653 4.227 ( 0.416 3.608 -8.454) 9.201 4.265 ( -3.811 -9.091 -7.630) 12.465 4.561 ( 0.389 2.409 -6.550) 6.990 4.691 ( 3.981 10.135 -13.985) 17.725 4.788 ( -11.500 9.181 4.394) 15.357 5.279 ( -3.786 2.000 -11.616) 12.380 5.407 ( 2.671 11.486 2.608) 12.078 5.461 ( -7.298 -3.396 1.574) 8.202 5.741 ( 2.826 1.645 1.143) 3.464 6.086 ( -14.929 -19.692 -4.638) 25.142 6.173 ( -8.196 -2.007 3.139) 9.003 6.469 ( -0.526 -5.933 -8.790) 10.618 6.755 ( 2.770 -6.857 7.397) 10.460 7.006 ( -6.403 3.171 -14.823) 16.455 7.173 ( -8.479 -8.827 -0.175) 12.241 7.285 ( -8.429 3.356 3.509) 9.728 7.419 ( -5.856 0.392 4.603) 7.458 7.574 ( -9.148 18.515 -1.896) 20.739 7.993 ( 14.743 7.979 12.744) 21.058 8.127 ( 9.888 3.023 4.366) 11.224 8.344 ( 7.924 -0.348 0.757) 7.968 8.623 ( 0.529 -4.391 -17.831) 18.371 8.663 ( 12.141 -6.339 -4.516) 14.422 8.957 ( 6.750 2.370 5.598) 9.083 9.000 ( -0.923 -2.649 5.378) 6.066 9.442 ( 21.271 -6.891 2.589) 22.509 10.205 ( -11.543 1.739 -2.344) 11.906 10.569 ( 1.600 5.919 5.155) 8.010 10.622 ( 1.956 -4.278 -3.433) 5.824 10.876 ( 2.775 -0.969 3.711) 4.734 11.052 ( -0.817 7.805 2.988) 8.397 11.181 ( 5.605 6.644 1.061) 8.757 11.776 ( 0.199 0.744 -13.077) 13.099 12.111 ( -0.979 -5.183 -8.911) 10.355 12.242 ( -3.139 -3.837 -7.917) 9.341 12.410 ( -1.074 -2.653 -7.859) 8.364 13.103 ( 0.171 5.969 15.055) 16.196 13.998 ( 1.549 -6.333 13.265) 14.781 14.181 ( -13.990 0.302 9.744) 17.052 14.652 ( -5.201 13.913 6.488) 16.209 14.679 ( -6.689 -10.054 1.531) 12.172 15.247 ( 22.029 4.830 21.441) 31.118 15.524 ( 16.434 -1.960 22.973) 28.314 16.768 ( -21.198 2.858 -24.710) 32.682 17.348 ( 0.158 -14.551 -0.517) 14.561 17.569 ( -0.213 -11.765 -8.360) 14.434 17.767 ( 11.865 -3.191 -12.966) 17.863 17.977 ( 12.982 0.900 -14.542) 19.515 20.122 ( 0.944 3.311 12.225) 12.701 20.549 ( -1.438 7.034 1.419) 7.318 20.596 ( -3.380 -2.542 -1.250) 4.410 20.807 ( -4.354 4.481 -0.058) 6.248 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 17.945 12.980 20.031) 29.862 2.084 ( 20.276 11.380 14.792) 27.558 3.267 ( 8.239 -8.735 4.229) 12.731 3.443 ( -4.802 -4.517 2.831) 7.175 3.558 ( 5.764 -6.311 2.082) 8.797 3.708 ( 1.606 -4.064 3.886) 5.848 3.803 ( -2.608 -2.324 -9.755) 10.362 4.084 ( 1.053 2.554 -1.003) 2.939 4.161 ( -3.018 7.666 -7.643) 11.238 4.295 ( 2.577 -10.478 3.074) 11.220 4.495 ( -8.789 7.651 2.286) 11.874 4.611 ( 4.022 10.912 -5.013) 12.664 4.769 ( 0.052 8.587 -4.558) 9.722 5.307 ( 4.751 -2.662 -19.537) 20.282 5.357 ( -1.916 -2.546 0.795) 3.284 5.444 ( 0.805 5.046 8.889) 10.253 5.740 ( -8.001 -5.962 -0.545) 9.992 5.780 ( -9.350 -4.995 -5.421) 11.906 6.023 ( -3.984 0.944 4.629) 6.179 6.405 ( -4.796 -3.091 -8.605) 10.324 6.728 ( -17.301 -5.947 -5.714) 19.166 6.855 ( 3.696 -2.639 -5.937) 7.475 6.992 ( -11.403 -2.892 -4.945) 12.761 7.223 ( -1.111 11.329 5.048) 12.452 7.307 ( -5.427 6.632 3.275) 9.174 7.395 ( -3.076 12.276 -0.047) 12.656 8.241 ( -1.750 -1.129 -1.197) 2.403 8.347 ( -4.423 1.757 -10.616) 11.634 8.379 ( 17.263 7.247 6.055) 19.677 8.673 ( 9.452 -2.105 0.882) 9.724 8.921 ( 10.333 -7.508 7.890) 15.013 9.068 ( 9.423 -3.724 4.271) 10.996 9.140 ( 8.635 -0.762 5.163) 10.090 9.791 ( 12.520 -8.335 -3.984) 15.559 9.997 ( -8.178 3.373 -3.951) 9.689 10.585 ( -2.546 -4.311 -0.086) 5.007 10.632 ( 1.814 3.563 5.750) 7.004 10.939 ( 2.094 1.325 3.160) 4.016 11.073 ( 4.188 3.748 2.909) 6.329 11.309 ( 7.361 4.466 0.314) 8.615 11.772 ( -0.795 1.213 -11.269) 11.362 12.085 ( -1.602 -5.318 -6.446) 8.509 12.168 ( -4.399 -5.510 -5.444) 8.908 12.376 ( -2.274 -1.146 -8.044) 8.437 13.123 ( 2.132 6.635 14.603) 16.181 13.853 ( -14.898 3.324 17.064) 22.896 14.067 ( 2.687 -5.610 11.434) 13.016 14.553 ( -6.347 -6.606 -2.949) 9.624 14.628 ( 2.896 15.256 -1.156) 15.572 15.746 ( 28.404 3.053 22.323) 36.255 15.963 ( 26.538 -3.233 20.571) 33.732 16.316 ( -23.131 6.444 -23.688) 33.730 17.374 ( 2.114 -17.330 2.627) 17.655 17.543 ( -2.223 -16.624 -4.973) 17.493 17.918 ( 2.639 -2.178 -5.351) 6.352 18.174 ( 4.498 -1.957 -8.720) 10.005 20.161 ( 3.250 3.598 5.765) 7.533 20.488 ( -3.998 1.732 -5.896) 7.331 20.542 ( -1.846 6.668 -1.942) 7.187 20.720 ( -4.471 4.528 -2.047) 6.685 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 18.921 7.764 11.001) 23.223 2.503 ( 21.295 8.894 7.962) 24.413 3.225 ( -10.575 2.264 -4.576) 11.742 3.407 ( -4.996 -9.751 -0.963) 10.998 3.514 ( -2.496 -11.263 -7.119) 13.556 3.677 ( 3.501 -6.433 7.473) 10.464 3.754 ( -6.436 -7.245 -10.122) 14.012 4.029 ( -7.021 6.761 3.104) 10.229 4.077 ( -7.201 0.662 -7.002) 10.066 4.332 ( -1.093 -6.824 3.759) 7.867 4.566 ( 12.111 3.496 5.776) 13.866 4.760 ( 4.069 4.235 6.599) 8.833 4.828 ( 12.306 -0.254 -8.703) 15.075 5.215 ( -5.432 0.070 -2.879) 6.148 5.360 ( -8.649 -11.518 5.256) 15.333 5.519 ( 5.683 0.780 -3.867) 6.918 5.675 ( 9.970 0.884 -4.368) 10.921 5.690 ( -4.051 6.484 -8.119) 11.152 6.026 ( 2.874 8.623 -2.204) 9.353 6.263 ( -11.809 -0.854 -3.117) 12.244 6.431 ( -6.297 -0.021 -10.300) 12.073 6.778 ( -8.990 1.014 -3.623) 9.746 6.948 ( 1.933 3.289 -6.263) 7.334 7.120 ( -7.694 9.214 -4.452) 12.802 7.191 ( -4.161 9.683 4.863) 11.607 7.487 ( 7.553 0.999 2.386) 7.984 7.996 ( -16.780 2.170 -7.551) 18.528 8.192 ( -10.018 1.646 -15.027) 18.135 8.754 ( 17.654 2.521 12.470) 21.761 8.913 ( 11.814 -2.648 9.466) 15.368 9.101 ( 8.967 -6.445 10.632) 15.329 9.243 ( 3.360 -2.569 8.549) 9.538 9.272 ( 8.128 -1.500 1.774) 8.453 9.793 ( -7.370 4.969 0.325) 8.895 10.037 ( 7.788 -6.505 -6.814) 12.223 10.481 ( -6.924 -6.542 -0.570) 9.543 10.696 ( 3.963 5.372 8.080) 10.481 10.927 ( -2.535 6.667 5.776) 9.178 11.225 ( 9.990 -4.026 -2.322) 11.018 11.461 ( 7.938 0.608 0.045) 7.961 11.737 ( -2.911 1.482 -8.617) 9.216 12.034 ( -6.041 -8.162 -1.873) 10.326 12.094 ( -0.302 -2.148 -4.984) 5.436 12.322 ( -3.420 -1.587 -6.744) 7.727 13.190 ( 4.623 6.971 13.507) 15.887 13.602 ( -10.670 5.606 17.286) 21.073 14.130 ( 3.615 -6.004 7.446) 10.225 14.429 ( -6.361 -5.670 -2.668) 8.929 14.761 ( 10.473 15.413 -8.585) 20.517 15.825 ( -23.285 8.059 -22.542) 33.396 16.331 ( 30.396 1.622 20.469) 36.682 16.576 ( 31.836 -4.175 19.226) 37.425 17.416 ( 0.714 -14.404 2.420) 14.623 17.491 ( -1.955 -19.287 -1.897) 19.479 17.857 ( -8.649 -3.701 4.642) 10.491 18.115 ( -10.264 -3.148 3.085) 11.170 20.252 ( 5.920 3.834 -1.159) 7.148 20.437 ( -1.018 4.151 -11.724) 12.479 20.508 ( -1.770 7.306 -5.295) 9.195 20.627 ( -5.185 3.942 -3.930) 7.607 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 15.523 3.117 2.799) 16.078 2.884 ( 16.838 6.946 2.577) 18.396 3.020 ( -10.235 3.069 -3.790) 11.337 3.187 ( -13.716 -1.033 0.014) 13.755 3.497 ( 1.369 -8.541 -5.816) 10.423 3.591 ( -7.830 -6.000 -7.244) 12.238 3.808 ( 3.257 -6.954 5.372) 9.372 3.880 ( -6.129 -0.425 2.986) 6.830 4.051 ( 7.192 -0.570 1.574) 7.384 4.239 ( -8.550 -5.104 5.535) 11.393 4.747 ( 6.486 -9.199 -1.295) 11.330 4.810 ( 0.551 -10.691 -3.311) 11.205 5.047 ( 7.637 -2.946 -1.667) 8.353 5.153 ( -3.102 -2.078 0.704) 3.800 5.247 ( 1.633 2.835 -3.308) 4.653 5.435 ( -12.286 11.062 -10.817) 19.756 5.725 ( 5.872 -4.410 -4.617) 8.674 5.820 ( -2.241 -6.939 -2.564) 7.730 6.151 ( 10.166 11.302 -11.130) 18.841 6.220 ( 8.183 10.798 8.283) 15.880 6.374 ( 1.373 6.574 -12.497) 14.187 6.660 ( -9.879 1.877 -5.427) 11.427 6.817 ( -5.167 13.984 4.865) 15.682 6.935 ( -10.757 11.288 -0.318) 15.596 7.284 ( 11.162 -2.832 -6.607) 13.276 7.514 ( -9.200 -3.261 -4.312) 10.670 7.814 ( 3.401 5.791 -5.340) 8.580 7.982 ( -10.767 3.642 -9.580) 14.865 9.026 ( 9.125 -3.421 13.058) 16.294 9.074 ( 3.927 -5.877 10.916) 13.005 9.230 ( 2.924 -1.753 10.550) 11.088 9.256 ( -0.815 -0.233 8.570) 8.612 9.437 ( 9.467 0.965 1.074) 9.576 9.629 ( -9.401 3.652 1.052) 10.140 10.185 ( 7.544 -5.264 -3.408) 9.810 10.335 ( -7.745 -5.659 -1.279) 9.677 10.778 ( 4.321 5.975 8.271) 11.081 10.860 ( -4.025 6.975 7.556) 11.043 11.421 ( 9.461 -5.011 -6.454) 12.500 11.559 ( -2.142 -4.459 -5.423) 7.340 11.712 ( 4.560 0.794 -1.115) 4.761 11.873 ( -9.344 -4.767 0.465) 10.500 12.145 ( 4.445 -2.543 -3.881) 6.426 12.241 ( -4.830 -2.420 -4.801) 7.227 13.296 ( 6.099 6.747 13.210) 16.038 13.428 ( -7.524 6.309 14.797) 17.759 14.209 ( 4.561 -5.871 3.526) 8.228 14.310 ( -5.706 -5.644 -0.082) 8.027 15.026 ( 16.412 14.066 -14.607) 26.088 15.391 ( -20.745 11.455 -19.242) 30.526 16.896 ( 26.245 -1.151 14.702) 30.105 17.180 ( 28.438 -8.162 15.116) 33.224 17.294 ( -13.228 -9.172 3.614) 16.498 17.544 ( 4.279 -13.824 5.965) 15.653 17.620 ( -12.703 -10.713 8.989) 18.893 17.813 ( -18.400 -2.759 10.590) 21.409 20.380 ( 6.921 3.876 -4.996) 9.375 20.442 ( 1.281 5.832 -12.331) 13.701 20.472 ( -1.903 6.672 -9.275) 11.583 20.514 ( -6.273 3.867 -5.317) 9.087 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 21.615 18.008) 28.133 2.199 ( 0.000 25.542 22.847) 34.269 2.849 ( 0.000 -15.780 8.787) 18.062 3.154 ( 0.000 -14.018 9.350) 16.850 3.500 ( 0.000 -10.313 -10.925) 15.024 3.531 ( 0.000 23.784 23.992) 33.783 3.759 ( 0.000 -12.926 -0.163) 12.927 4.082 ( 0.000 1.176 -10.942) 11.005 4.362 ( 0.000 6.733 -11.006) 12.903 4.445 ( 0.000 11.332 -22.932) 25.579 4.696 ( 0.000 8.340 -19.065) 20.810 4.719 ( 0.000 2.642 -4.679) 5.373 5.101 ( 0.000 6.264 -4.776) 7.877 5.220 ( 0.000 -2.314 -6.862) 7.242 5.487 ( 0.000 -9.470 3.746) 10.184 5.675 ( 0.000 -7.938 -1.861) 8.153 5.859 ( 0.000 11.579 10.000) 15.300 5.912 ( 0.000 7.125 -2.636) 7.597 6.195 ( 0.000 -0.990 7.044) 7.113 6.329 ( 0.000 -5.134 -9.415) 10.724 6.580 ( 0.000 -9.088 14.567) 17.169 6.934 ( 0.000 -13.902 -11.832) 18.255 7.076 ( 0.000 -8.054 0.145) 8.056 7.191 ( 0.000 -11.499 0.726) 11.522 7.774 ( 0.000 11.158 10.229) 15.137 7.811 ( 0.000 10.657 -0.963) 10.701 7.931 ( 0.000 2.265 19.297) 19.430 8.179 ( 0.000 -3.890 -2.829) 4.810 8.365 ( 0.000 -1.741 -8.522) 8.698 8.393 ( 0.000 17.872 -3.102) 18.139 8.524 ( 0.000 -4.345 -22.279) 22.699 8.919 ( 0.000 -5.717 -1.542) 5.922 9.054 ( 0.000 -0.357 13.909) 13.914 9.069 ( 0.000 -1.065 5.500) 5.603 10.364 ( 0.000 0.668 0.047) 0.670 10.475 ( 0.000 -4.413 -4.790) 6.513 10.715 ( 0.000 6.677 4.293) 7.938 10.838 ( 0.000 -0.594 3.265) 3.318 11.216 ( 0.000 7.180 7.438) 10.338 11.302 ( 0.000 7.257 -5.137) 8.891 11.796 ( 0.000 1.774 -12.606) 12.730 11.980 ( 0.000 -7.546 -8.196) 11.141 12.212 ( 0.000 -2.704 -9.443) 9.823 12.304 ( 0.000 -6.145 -7.615) 9.785 13.282 ( 0.000 10.830 14.033) 17.726 13.793 ( 0.000 -10.979 13.877) 17.694 14.310 ( 0.000 -0.432 2.565) 2.601 14.476 ( 0.000 -10.377 10.318) 14.633 15.031 ( 0.000 4.458 21.508) 21.965 15.154 ( 0.000 8.130 14.461) 16.590 15.415 ( 0.000 16.646 15.843) 22.980 16.690 ( 0.000 -27.760 1.950) 27.828 17.399 ( 0.000 1.993 -27.153) 27.226 17.424 ( 0.000 2.218 -14.359) 14.530 17.568 ( 0.000 -1.411 -13.015) 13.091 17.721 ( 0.000 -6.398 -18.611) 19.680 20.222 ( 0.000 6.721 11.680) 13.476 20.522 ( 0.000 -5.923 3.475) 6.867 20.741 ( 0.000 7.630 3.399) 8.353 20.893 ( 0.000 0.115 3.502) 3.504 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 10.255 19.163 16.066) 27.028 2.252 ( 5.750 24.269 20.143) 32.059 2.900 ( 4.674 -15.492 8.058) 18.077 3.170 ( 1.335 -15.365 6.900) 16.896 3.468 ( -1.735 -6.002 -4.096) 7.471 3.704 ( 13.464 16.508 17.252) 27.412 3.758 ( -0.233 -13.925 -2.277) 14.112 4.086 ( 0.980 1.408 -9.947) 10.094 4.230 ( -12.791 10.739 -17.331) 24.069 4.400 ( -2.177 6.835 -11.695) 13.720 4.668 ( -3.855 4.553 -17.871) 18.840 4.829 ( 8.550 2.162 -5.369) 10.325 5.017 ( -7.204 10.447 4.382) 13.426 5.235 ( 2.446 -1.669 -13.911) 14.223 5.365 ( -9.734 -5.829 4.537) 12.219 5.555 ( -10.098 -12.890 0.497) 16.382 5.870 ( -4.750 13.808 1.073) 14.641 5.892 ( 1.333 9.003 -0.654) 9.125 6.174 ( -0.751 0.737 2.684) 2.883 6.371 ( -1.779 -1.283 -4.763) 5.244 6.540 ( 0.928 -12.514 12.682) 17.841 6.860 ( -7.046 -12.330 -9.549) 17.113 6.971 ( -7.743 -8.206 -0.943) 11.322 7.128 ( -3.029 -12.234 6.463) 14.164 7.674 ( -1.801 15.431 1.030) 15.570 7.961 ( -3.473 14.343 -2.270) 14.931 8.081 ( 10.084 -0.584 14.206) 17.431 8.242 ( 14.259 3.377 3.274) 15.015 8.389 ( 1.758 6.140 -1.922) 6.670 8.515 ( 9.683 -1.576 -8.099) 12.722 8.573 ( 4.439 -3.467 -18.603) 19.437 8.883 ( -0.185 -7.594 -0.274) 7.602 9.018 ( 2.451 3.371 9.580) 10.447 9.285 ( 13.609 -7.577 6.142) 16.744 10.262 ( -7.706 3.658 -1.274) 8.625 10.489 ( -0.693 -6.438 -2.306) 6.874 10.725 ( 1.071 6.346 4.602) 7.912 10.856 ( 1.896 -1.064 3.395) 4.032 11.217 ( 0.177 7.907 5.721) 9.762 11.332 ( 2.728 5.707 -3.706) 7.331 11.803 ( 0.503 1.768 -12.103) 12.242 11.967 ( -1.362 -7.359 -7.154) 10.354 12.175 ( -3.222 -2.093 -7.937) 8.818 12.304 ( -0.472 -6.569 -7.923) 10.303 13.291 ( 1.026 11.295 13.730) 17.808 13.811 ( 1.789 -11.000 12.706) 16.901 14.206 ( -9.351 2.317 8.292) 12.711 14.453 ( -2.580 -9.759 4.919) 11.229 14.997 ( -0.289 15.312 10.987) 18.848 15.343 ( 16.258 -0.520 19.146) 25.123 15.574 ( 15.423 13.341 18.638) 27.626 16.685 ( -1.673 -20.765 -1.794) 20.909 17.034 ( -18.085 -2.554 -16.735) 24.772 17.339 ( -10.692 -10.052 -12.666) 19.385 17.771 ( 13.082 2.625 -15.138) 20.179 17.940 ( 12.741 -3.659 -15.908) 20.707 20.231 ( 1.011 6.624 9.188) 11.371 20.506 ( -1.404 -4.783 1.326) 5.158 20.731 ( -0.990 7.396 2.419) 7.845 20.865 ( -2.654 0.947 2.206) 3.579 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 15.722 13.035 11.981) 23.678 2.427 ( 11.682 20.373 14.988) 27.860 3.001 ( 4.845 -15.495 5.529) 17.151 3.198 ( 1.771 -14.178 3.441) 14.697 3.416 ( -3.992 -5.449 1.550) 6.930 3.732 ( -2.552 -5.636 -5.234) 8.104 3.905 ( 4.618 -5.578 3.118) 7.884 3.959 ( -12.832 9.224 -15.839) 22.375 4.132 ( -0.595 -2.042 -4.867) 5.312 4.321 ( -5.698 4.392 -11.425) 13.502 4.622 ( 1.180 5.619 -4.410) 7.240 4.808 ( -2.775 12.453 1.978) 12.911 5.013 ( -4.760 3.093 8.641) 10.339 5.236 ( 3.095 -4.241 -13.960) 14.914 5.322 ( 2.914 0.056 -1.757) 3.404 5.356 ( -6.044 -7.200 1.515) 9.522 5.742 ( -6.809 8.764 -1.197) 11.163 5.862 ( -3.225 4.694 -4.329) 7.154 6.188 ( 3.244 11.885 2.763) 12.626 6.333 ( -0.144 -1.569 -3.815) 4.128 6.532 ( -8.593 -10.470 -5.823) 14.743 6.740 ( 1.127 -6.731 -3.570) 7.702 6.846 ( -5.749 -7.102 -2.935) 9.597 7.154 ( 5.487 -11.934 11.620) 17.537 7.625 ( -4.473 15.854 -3.656) 16.874 7.773 ( -11.410 18.480 -2.572) 21.870 8.183 ( -2.629 -3.256 1.324) 4.390 8.385 ( -6.150 1.809 -9.991) 11.871 8.605 ( 10.253 -3.101 7.549) 13.104 8.610 ( 18.052 3.265 4.773) 18.956 8.752 ( 8.970 -0.851 -1.521) 9.138 8.987 ( 10.227 -3.430 5.003) 11.890 9.131 ( 7.351 1.279 5.307) 9.157 9.558 ( 13.811 -12.874 -1.856) 18.971 10.108 ( -7.828 6.517 -0.949) 10.230 10.432 ( -4.828 -8.138 -0.740) 9.492 10.758 ( 2.445 5.896 5.299) 8.296 10.917 ( 4.442 -2.254 2.917) 5.772 11.217 ( -0.456 8.306 4.216) 9.326 11.398 ( 3.767 2.900 -2.691) 5.463 11.805 ( -0.624 1.625 -10.443) 10.587 11.931 ( -1.997 -6.736 -4.024) 8.097 12.101 ( -4.091 -1.576 -5.948) 7.390 12.277 ( -2.288 -7.194 -7.013) 10.304 13.328 ( 2.900 12.118 12.648) 17.755 13.851 ( 1.413 -8.825 9.834) 13.288 14.005 ( -9.439 5.173 12.526) 16.515 14.375 ( -5.187 -9.617 1.014) 10.973 15.047 ( 5.378 22.672 1.176) 23.330 15.743 ( 23.546 -6.494 16.362) 29.399 15.975 ( 24.556 7.926 21.304) 33.462 16.494 ( -16.957 9.321 -17.833) 26.314 16.876 ( 1.952 -26.133 3.510) 26.440 17.156 ( -8.210 -18.365 -9.471) 22.235 17.929 ( 2.389 2.577 -6.096) 7.036 18.103 ( 2.729 -4.365 -7.412) 9.025 20.271 ( 3.266 6.327 2.929) 7.699 20.484 ( -0.463 -2.006 -4.181) 4.660 20.703 ( -1.845 6.835 -0.227) 7.083 20.799 ( -3.986 2.255 -0.585) 4.617 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 13.057 8.170 13.945) 20.777 2.684 ( 15.185 12.762 4.541) 20.349 3.072 ( 2.372 -12.040 3.501) 12.761 3.252 ( 3.375 -9.493 -1.313) 10.160 3.311 ( -5.592 -5.716 5.440) 9.671 3.640 ( -7.595 -5.708 -8.171) 12.531 3.750 ( -8.913 9.088 -9.025) 15.604 3.882 ( -8.706 -13.687 2.441) 16.404 4.043 ( -1.718 -5.266 -7.509) 9.331 4.225 ( -1.839 1.899 -1.068) 2.851 4.661 ( 1.365 1.036 -3.040) 3.490 4.804 ( -7.913 5.672 3.811) 10.455 4.916 ( 3.596 4.690 3.784) 7.017 5.174 ( -5.318 -2.972 -6.297) 8.762 5.284 ( 0.075 2.519 -9.402) 9.734 5.490 ( 3.280 -4.507 3.181) 6.418 5.681 ( 0.767 0.867 -5.653) 5.770 5.876 ( 5.270 7.512 -7.592) 11.910 6.211 ( -6.879 1.983 -12.100) 14.059 6.310 ( 3.490 10.485 0.772) 11.078 6.427 ( 3.921 -0.060 -8.902) 9.727 6.747 ( -3.761 -0.360 -1.813) 4.191 6.874 ( 9.697 -6.054 -6.676) 13.238 7.239 ( -0.966 -4.277 4.749) 6.463 7.522 ( -3.307 7.370 -1.253) 8.175 7.568 ( -9.808 19.235 1.914) 21.676 7.999 ( -12.940 -3.096 0.138) 13.306 8.218 ( -9.383 -0.732 -6.317) 11.335 8.809 ( 9.750 -5.617 9.403) 14.664 8.923 ( 8.438 11.143 9.694) 17.010 8.953 ( 14.127 -5.719 8.609) 17.504 9.178 ( 6.548 -3.046 9.928) 12.276 9.279 ( 9.450 3.316 -1.625) 10.146 9.804 ( 10.562 -11.438 -4.954) 16.338 9.953 ( -7.897 5.847 -1.112) 9.889 10.314 ( -6.969 -8.940 -0.690) 11.357 10.826 ( 4.552 6.284 5.606) 9.572 11.025 ( 5.592 -0.747 1.551) 5.851 11.199 ( -0.619 4.723 2.804) 5.527 11.464 ( 2.318 -1.461 -2.810) 3.924 11.767 ( -2.981 1.281 -7.103) 7.808 11.900 ( -1.639 -2.873 -0.279) 3.319 12.029 ( -2.329 -3.310 -4.348) 5.940 12.217 ( -3.846 -7.619 -5.054) 9.919 13.403 ( 4.626 12.457 11.137) 17.338 13.769 ( -8.055 9.224 10.828) 16.347 13.956 ( 2.943 -9.574 8.571) 13.183 14.260 ( -6.275 -9.944 0.584) 11.773 15.201 ( 10.194 25.221 -6.145) 27.889 16.041 ( -10.224 8.540 -13.894) 19.248 16.295 ( 16.079 -5.859 6.167) 18.190 16.524 ( 27.638 2.535 20.136) 34.289 17.002 ( 5.487 -22.600 4.287) 23.649 17.009 ( -1.799 -22.009 -1.833) 22.158 17.852 ( -10.131 2.358 4.683) 11.407 18.029 ( -10.163 -4.745 3.491) 11.747 20.360 ( 5.674 5.767 -3.245) 8.717 20.497 ( 1.795 0.913 -8.983) 9.206 20.660 ( -2.517 6.013 -3.855) 7.574 20.712 ( -4.895 3.198 -3.478) 6.803 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 7.963 4.358 11.986) 15.036 2.932 ( 2.546 0.672 4.323) 5.062 3.106 ( 6.891 6.195 2.120) 9.506 3.255 ( -0.759 -7.368 -3.856) 8.351 3.326 ( 2.884 -0.861 -8.407) 8.930 3.459 ( -10.025 -8.531 -7.327) 15.065 3.581 ( -4.159 -9.144 6.269) 11.841 3.674 ( -10.287 -12.415 6.833) 17.511 4.124 ( 8.960 5.950 -1.205) 10.822 4.252 ( -0.352 6.362 5.952) 8.719 4.629 ( -4.594 -5.581 -2.132) 7.536 4.647 ( -3.703 -3.084 1.597) 5.077 5.005 ( 4.356 1.109 -4.939) 6.678 5.085 ( -4.025 -0.591 -5.242) 6.635 5.317 ( 4.086 -3.454 -13.796) 14.797 5.448 ( -7.224 -11.333 -11.919) 17.964 5.716 ( 4.526 6.222 -6.012) 9.764 5.838 ( -7.053 14.649 -8.741) 18.459 6.300 ( 9.858 -5.456 -12.193) 16.602 6.386 ( 1.077 -3.586 -6.179) 7.225 6.553 ( 9.400 15.697 -1.976) 18.402 6.713 ( -2.285 8.836 -4.535) 10.192 7.056 ( 6.568 -1.628 -7.018) 9.749 7.120 ( -5.233 5.468 0.572) 7.590 7.388 ( -5.991 16.887 5.652) 18.789 7.450 ( -7.889 1.432 -2.142) 8.299 7.874 ( 3.299 -3.332 5.290) 7.069 8.027 ( -9.824 -2.315 0.845) 10.128 8.964 ( 5.759 -2.042 10.494) 12.143 9.016 ( 0.852 3.558 12.529) 13.053 9.158 ( 6.709 -4.965 9.399) 12.570 9.226 ( -0.617 -2.918 10.718) 11.125 9.510 ( 12.855 6.873 -2.986) 14.880 9.748 ( -10.962 7.573 -0.645) 13.339 10.011 ( 8.605 -11.234 -4.375) 14.812 10.169 ( -7.705 -9.778 -2.051) 12.617 10.932 ( 5.938 7.929 5.115) 11.149 11.039 ( -4.135 9.093 3.908) 10.726 11.278 ( 8.409 -7.603 -2.276) 11.563 11.436 ( -5.924 -7.581 -4.394) 10.577 11.749 ( 2.339 3.620 -1.385) 4.527 11.831 ( -4.932 2.159 0.236) 5.389 12.047 ( 3.498 -6.717 -2.688) 8.036 12.132 ( -4.681 -7.571 -3.159) 9.445 13.504 ( 5.619 12.251 10.252) 16.934 13.623 ( -6.711 11.662 10.470) 17.049 14.035 ( 4.769 -10.432 4.839) 12.449 14.139 ( -5.916 -10.241 2.105) 12.013 15.437 ( 13.787 24.196 -11.429) 30.102 15.733 ( -16.310 20.462 -15.418) 30.372 16.635 ( 13.907 -25.253 -0.557) 28.835 16.842 ( -7.654 -27.857 -5.023) 29.323 17.083 ( 25.811 1.577 18.173) 31.606 17.316 ( 20.300 -8.145 14.508) 26.247 17.548 ( -20.307 2.032 13.237) 24.325 17.728 ( -19.624 -4.787 11.624) 23.305 20.481 ( 6.464 4.956 -5.979) 10.104 20.546 ( 2.877 3.173 -9.546) 10.462 20.602 ( -4.466 4.570 -6.721) 9.274 20.611 ( -4.275 4.311 -6.797) 9.113 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 -22.130 10.694) 24.578 2.438 ( 0.000 22.130 10.694) 24.578 2.740 ( 0.000 -24.099 16.184) 29.029 2.740 ( 0.000 24.099 16.184) 29.029 3.437 ( 0.000 -5.154 -6.135) 8.013 3.437 ( 0.000 5.154 -6.135) 8.013 4.028 ( 0.000 -9.864 0.439) 9.874 4.028 ( 0.000 9.864 0.439) 9.874 4.511 ( 0.000 -5.348 -16.110) 16.974 4.511 ( 0.000 5.348 -16.110) 16.974 4.774 ( 0.000 -1.831 -16.418) 16.520 4.774 ( 0.000 1.831 -16.418) 16.520 5.253 ( 0.000 -12.007 -0.674) 12.026 5.253 ( 0.000 12.007 -0.674) 12.026 5.342 ( 0.000 -11.502 2.965) 11.878 5.342 ( 0.000 11.502 2.965) 11.878 6.056 ( 0.000 -4.134 6.189) 7.443 6.056 ( 0.000 4.134 6.189) 7.443 6.237 ( 0.000 -2.453 3.809) 4.531 6.237 ( 0.000 2.453 3.809) 4.531 6.604 ( 0.000 -14.713 -3.096) 15.035 6.604 ( 0.000 14.713 -3.096) 15.035 7.014 ( 0.000 -2.906 0.484) 2.946 7.014 ( 0.000 2.906 0.484) 2.946 7.915 ( 0.000 -1.826 16.209) 16.312 7.915 ( 0.000 1.826 16.209) 16.312 8.037 ( 0.000 -7.929 -2.074) 8.195 8.037 ( 0.000 7.929 -2.074) 8.195 8.420 ( 0.000 -4.741 -18.386) 18.988 8.420 ( 0.000 4.741 -18.386) 18.988 8.728 ( 0.000 -12.605 -2.829) 12.919 8.728 ( 0.000 12.605 -2.829) 12.919 9.051 ( 0.000 -0.412 9.250) 9.259 9.051 ( 0.000 0.412 9.250) 9.259 10.398 ( 0.000 -2.696 -1.631) 3.151 10.398 ( 0.000 2.696 -1.631) 3.151 10.811 ( 0.000 -2.492 3.189) 4.047 10.811 ( 0.000 2.492 3.189) 4.047 11.347 ( 0.000 -3.372 2.257) 4.057 11.347 ( 0.000 3.372 2.257) 4.057 11.851 ( 0.000 -3.940 -10.702) 11.405 11.851 ( 0.000 3.940 -10.702) 11.405 12.203 ( 0.000 -2.498 -8.450) 8.811 12.203 ( 0.000 2.498 -8.450) 8.811 13.537 ( 0.000 -12.692 13.409) 18.463 13.537 ( 0.000 12.692 13.409) 18.463 14.335 ( 0.000 -3.377 6.671) 7.477 14.335 ( 0.000 3.377 6.671) 7.477 15.129 ( 0.000 -4.368 21.247) 21.691 15.129 ( 0.000 4.368 21.247) 21.691 16.017 ( 0.000 -33.150 6.760) 33.833 16.017 ( 0.000 33.150 6.760) 33.833 17.457 ( 0.000 -0.210 -18.653) 18.654 17.457 ( 0.000 0.210 -18.653) 18.654 17.585 ( 0.000 -4.809 -20.044) 20.613 17.585 ( 0.000 4.809 -20.044) 20.613 20.378 ( 0.000 -7.509 7.939) 10.928 20.378 ( 0.000 7.509 7.939) 10.928 20.860 ( 0.000 -3.492 3.745) 5.121 20.860 ( 0.000 3.492 3.745) 5.121 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 6.031 -20.884 9.458) 23.706 2.502 ( 6.031 20.884 9.458) 23.706 2.766 ( 2.886 -22.866 13.660) 26.791 2.766 ( 2.886 22.866 13.660) 26.791 3.450 ( 0.818 -6.766 -2.860) 7.391 3.450 ( 0.818 6.766 -2.860) 7.391 4.043 ( 0.633 -7.563 -2.982) 8.154 4.043 ( 0.633 7.563 -2.982) 8.154 4.450 ( -9.122 -6.430 -23.145) 25.695 4.450 ( -9.122 6.430 -23.145) 25.695 4.774 ( 4.759 -7.387 -1.239) 8.874 4.774 ( 4.759 7.387 -1.239) 8.874 5.197 ( -8.511 -6.913 1.810) 11.113 5.197 ( -8.511 6.913 1.810) 11.113 5.295 ( -0.646 -5.075 -3.223) 6.047 5.295 ( -0.646 5.075 -3.223) 6.047 6.070 ( -4.670 -6.536 -0.524) 8.050 6.070 ( -4.670 6.536 -0.524) 8.050 6.231 ( 3.991 -14.640 6.879) 16.661 6.231 ( 3.991 14.640 6.879) 16.661 6.570 ( -3.112 -14.782 -2.602) 15.328 6.570 ( -3.112 14.782 -2.602) 15.328 6.916 ( -5.971 -4.666 2.509) 7.983 6.916 ( -5.971 4.666 2.509) 7.983 7.948 ( 1.041 -9.933 4.061) 10.781 7.948 ( 1.041 9.933 4.061) 10.781 8.190 ( 12.024 -6.483 4.854) 14.497 8.190 ( 12.024 6.483 4.854) 14.497 8.489 ( 2.834 -3.545 -14.123) 14.834 8.489 ( 2.834 3.545 -14.123) 14.834 8.677 ( 1.595 -11.250 -2.302) 11.593 8.677 ( 1.595 11.250 -2.302) 11.593 9.129 ( 6.393 -6.883 8.041) 12.365 9.129 ( 6.393 6.883 8.041) 12.365 10.360 ( -3.722 -5.514 -1.116) 6.746 10.360 ( -3.722 5.514 -1.116) 6.746 10.821 ( 1.050 -2.735 3.457) 4.532 10.821 ( 1.050 2.735 3.457) 4.532 11.357 ( 0.944 -3.835 1.819) 4.348 11.357 ( 0.944 3.835 1.819) 4.348 11.850 ( -0.184 -3.233 -9.977) 10.489 11.850 ( -0.184 3.233 -9.977) 10.489 12.184 ( -1.863 -3.552 -7.588) 8.583 12.184 ( -1.863 3.552 -7.588) 8.583 13.553 ( 1.685 -12.919 12.718) 18.207 13.553 ( 1.685 12.919 12.718) 18.207 14.289 ( -4.561 -5.730 6.463) 9.768 14.289 ( -4.561 5.730 6.463) 9.768 15.236 ( 10.342 -7.955 18.082) 22.298 15.236 ( 10.342 7.955 18.082) 22.298 16.078 ( 6.533 -30.133 8.539) 31.993 16.078 ( 6.533 30.133 8.539) 31.993 17.144 ( -18.380 -8.313 -18.283) 27.225 17.144 ( -18.380 8.313 -18.283) 27.225 17.849 ( 13.000 -4.423 -15.747) 20.893 17.849 ( 13.000 4.423 -15.747) 20.893 20.380 ( 0.358 -6.946 5.452) 8.837 20.380 ( 0.358 6.946 5.452) 8.837 20.844 ( -1.573 -3.114 2.698) 4.410 20.844 ( -1.573 3.114 2.698) 4.410 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 8.308 -16.678 6.579) 19.760 2.647 ( 8.308 16.678 6.579) 19.760 2.860 ( 6.569 -18.885 10.014) 22.362 2.860 ( 6.569 18.885 10.014) 22.362 3.445 ( -1.950 -9.583 2.765) 10.163 3.445 ( -1.950 9.583 2.765) 10.163 4.012 ( -4.634 -7.717 -6.943) 11.368 4.012 ( -4.634 7.717 -6.943) 11.368 4.212 ( -11.884 -11.286 -20.207) 26.018 4.212 ( -11.884 11.286 -20.207) 26.018 4.883 ( -1.580 -11.874 3.602) 12.509 4.883 ( -1.580 11.874 3.602) 12.509 5.062 ( 0.424 -10.343 2.990) 10.775 5.062 ( 0.424 10.343 2.990) 10.775 5.316 ( 3.263 -3.026 -5.309) 6.928 5.316 ( 3.263 3.026 -5.309) 6.928 5.892 ( -9.808 -3.312 -1.410) 10.448 5.892 ( -9.808 3.312 -1.410) 10.448 6.325 ( 1.834 -6.881 -4.214) 8.274 6.325 ( 1.834 6.881 -4.214) 8.274 6.532 ( 0.910 -13.208 -5.389) 14.294 6.532 ( 0.910 13.208 -5.389) 14.294 6.879 ( 2.750 -10.588 8.723) 13.991 6.879 ( 2.750 10.588 8.723) 13.991 7.892 ( -6.739 -8.147 -5.015) 11.703 7.892 ( -6.739 8.147 -5.015) 11.703 8.292 ( -8.091 -12.701 0.696) 15.075 8.292 ( -8.091 12.701 0.696) 15.075 8.533 ( 12.182 -2.913 2.327) 12.740 8.533 ( 12.182 2.913 2.327) 12.740 8.910 ( 14.859 -5.261 3.374) 16.120 8.910 ( 14.859 5.261 3.374) 16.120 9.275 ( 8.868 -12.434 1.079) 15.311 9.275 ( 8.868 12.434 1.079) 15.311 10.261 ( -6.215 -7.831 -0.286) 10.002 10.261 ( -6.215 7.831 -0.286) 10.002 10.857 ( 2.960 -3.528 3.709) 5.914 10.857 ( 2.960 3.528 3.709) 5.914 11.376 ( 0.535 -5.406 0.784) 5.489 11.376 ( 0.535 5.406 0.784) 5.489 11.840 ( -0.745 -2.487 -7.599) 8.030 11.840 ( -0.745 2.487 -7.599) 8.030 12.132 ( -3.426 -5.034 -5.516) 8.216 12.132 ( -3.426 5.034 -5.516) 8.216 13.603 ( 3.334 -13.162 10.950) 17.443 13.603 ( 3.334 13.162 10.950) 17.443 14.171 ( -7.086 -9.270 6.024) 13.131 14.171 ( -7.086 9.270 6.024) 13.131 15.491 ( 14.512 -17.225 8.757) 24.166 15.491 ( 14.512 17.225 8.757) 24.166 16.288 ( 15.307 -21.062 13.965) 29.545 16.288 ( 15.307 21.062 13.965) 29.545 16.806 ( -16.036 -14.214 -15.582) 26.496 16.806 ( -16.036 14.214 -15.582) 26.496 18.006 ( 2.312 -4.431 -6.595) 8.275 18.006 ( 2.312 4.431 -6.595) 8.275 20.402 ( 2.147 -5.504 -0.574) 5.936 20.402 ( 2.147 5.504 -0.574) 5.936 20.801 ( -2.772 -2.226 0.062) 3.556 20.801 ( -2.772 2.226 0.062) 3.556 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 8.400 -10.844 6.014) 14.977 2.814 ( 8.400 10.844 6.014) 14.977 3.008 ( 8.572 -14.409 4.510) 17.362 3.008 ( 8.572 14.409 4.510) 17.362 3.354 ( -7.327 -11.256 7.075) 15.180 3.354 ( -7.327 11.256 7.075) 15.180 3.836 ( -13.274 -2.867 -9.547) 16.600 3.836 ( -13.274 2.867 -9.547) 16.600 4.106 ( 2.884 -10.430 -9.426) 14.350 4.106 ( 2.884 10.430 -9.426) 14.350 4.765 ( -7.474 -6.435 3.762) 10.556 4.765 ( -7.474 6.435 3.762) 10.556 5.091 ( 0.462 -7.241 -2.733) 7.753 5.091 ( 0.462 7.241 -2.734) 7.753 5.359 ( -3.805 -5.326 -5.361) 8.461 5.359 ( -3.805 5.326 -5.361) 8.461 5.816 ( 4.808 -10.110 -6.010) 12.706 5.816 ( 4.808 10.110 -6.010) 12.706 6.297 ( -3.712 -6.465 -8.927) 11.631 6.297 ( -3.712 6.465 -8.927) 11.631 6.621 ( 8.125 -11.705 -10.726) 17.835 6.621 ( 8.125 11.705 -10.726) 17.835 6.991 ( 6.686 -14.540 8.569) 18.154 6.991 ( 6.686 14.540 8.569) 18.154 7.724 ( -8.799 -7.755 -3.254) 12.172 7.724 ( -8.799 7.755 -3.254) 12.172 8.069 ( -12.819 -12.198 3.969) 18.135 8.069 ( -12.819 12.198 3.969) 18.135 8.805 ( 13.411 -5.382 6.502) 15.846 8.805 ( 13.411 5.382 6.502) 15.846 9.114 ( 5.354 -4.141 13.430) 15.039 9.114 ( 5.354 4.141 13.430) 15.039 9.490 ( 12.675 -15.662 -7.380) 21.457 9.490 ( 12.675 15.662 -7.380) 21.457 10.121 ( -8.089 -8.941 -0.411) 12.064 10.121 ( -8.089 8.941 -0.411) 12.064 10.946 ( 6.201 -4.993 3.054) 8.527 10.946 ( 6.201 4.993 3.054) 8.527 11.358 ( -2.855 -7.850 -0.450) 8.365 11.358 ( -2.855 7.850 -0.450) 8.365 11.834 ( 0.589 -4.843 -3.962) 6.285 11.834 ( 0.589 4.843 -3.962) 6.285 12.053 ( -4.606 -6.286 -3.154) 8.407 12.053 ( -4.606 6.286 -3.154) 8.407 13.680 ( 4.542 -12.963 8.816) 16.321 13.680 ( 4.542 12.963 8.816) 16.321 14.028 ( -7.310 -11.484 5.710) 14.762 14.028 ( -7.310 11.484 5.710) 14.762 15.765 ( 13.210 -25.912 -1.449) 29.121 15.765 ( 13.210 25.912 -1.449) 29.121 16.506 ( -12.850 -18.967 -11.820) 25.780 16.506 ( -12.850 18.967 -11.820) 25.780 16.684 ( 22.656 -9.326 17.590) 30.161 16.684 ( 22.656 9.326 17.590) 30.161 17.928 ( -10.174 -4.472 4.098) 11.845 17.928 ( -10.174 4.472 4.098) 11.845 20.466 ( 4.285 -3.687 -5.996) 8.240 20.466 ( 4.285 3.687 -5.996) 8.240 20.737 ( -3.728 -1.122 -3.217) 5.051 20.737 ( -3.728 1.122 -3.217) 5.051 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 7.702 -9.020 7.323) 13.939 2.967 ( 7.702 9.020 7.323) 13.939 3.115 ( -4.864 -11.759 3.280) 13.142 3.115 ( -4.864 11.759 3.280) 13.142 3.282 ( 8.421 -5.092 3.122) 10.324 3.282 ( 8.421 5.092 3.122) 10.324 3.545 ( -15.349 -2.884 -5.531) 16.568 3.545 ( -15.349 2.884 -5.531) 16.568 4.292 ( 14.114 -6.714 -0.407) 15.635 4.292 ( 14.114 6.714 -0.407) 15.635 4.574 ( -12.831 -3.573 5.664) 14.474 4.574 ( -12.831 3.573 5.664) 14.474 5.115 ( 2.671 -3.995 -9.981) 11.078 5.115 ( 2.671 3.995 -9.981) 11.078 5.213 ( -7.547 -3.587 -13.461) 15.843 5.213 ( -7.547 3.587 -13.461) 15.843 5.997 ( 10.663 -14.662 -7.700) 19.697 5.997 ( 10.663 14.662 -7.700) 19.697 6.183 ( -7.951 -12.472 -9.102) 17.367 6.183 ( -7.951 12.472 -9.102) 17.367 6.837 ( 12.668 -9.752 -10.963) 19.385 6.837 ( 12.668 9.752 -10.963) 19.385 7.033 ( -4.756 -10.444 -4.733) 12.414 7.033 ( -4.756 10.444 -4.733) 12.414 7.646 ( 3.080 -12.694 8.080) 15.359 7.646 ( 3.080 12.694 8.080) 15.359 7.817 ( -12.241 -15.433 9.325) 21.794 7.817 ( -12.241 15.433 9.325) 21.794 9.025 ( 8.724 -6.168 9.041) 13.997 9.025 ( 8.724 6.168 9.041) 13.997 9.137 ( -2.561 -5.444 12.095) 13.509 9.137 ( -2.561 5.444 12.095) 13.509 9.734 ( 11.820 -13.386 -5.341) 18.639 9.734 ( 11.820 13.386 -5.341) 18.639 9.946 ( -9.871 -10.586 -2.139) 14.631 9.946 ( -9.871 10.586 -2.139) 14.631 11.094 ( 8.564 -6.982 1.316) 11.127 11.094 ( 8.564 6.982 1.316) 11.127 11.256 ( -7.351 -8.519 -0.388) 11.259 11.256 ( -7.351 8.519 -0.388) 11.259 11.874 ( 3.452 -7.009 -1.475) 7.951 11.874 ( 3.452 7.009 -1.475) 7.951 11.958 ( -4.845 -7.161 -1.476) 8.771 11.958 ( -4.845 7.161 -1.476) 8.771 13.778 ( 5.429 -12.583 7.010) 15.394 13.778 ( 5.429 12.583 7.010) 15.394 13.893 ( -6.402 -12.276 5.951) 15.070 13.893 ( -6.402 12.276 5.951) 15.070 16.011 ( 12.272 -27.760 -7.176) 31.188 16.011 ( 12.272 27.760 -7.176) 31.188 16.252 ( -12.623 -24.955 -10.287) 29.798 16.252 ( -12.623 24.955 -10.287) 29.798 17.172 ( 25.322 -5.773 17.593) 31.370 17.172 ( 25.322 5.773 17.593) 31.370 17.626 ( -20.180 -4.643 12.470) 24.172 17.626 ( -20.180 4.643 12.470) 24.172 20.560 ( 5.062 -1.883 -7.706) 9.410 20.560 ( 5.062 1.883 -7.706) 9.410 20.656 ( -4.604 -0.372 -6.219) 7.747 20.656 ( -4.604 0.372 -6.219) 7.747 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 0.000 28.587) 28.587 2.201 ( 0.000 0.000 31.601) 31.601 3.203 ( 0.000 0.000 -7.022) 7.022 3.494 ( 0.000 0.000 13.550) 13.550 3.545 ( 0.000 0.000 9.297) 9.297 3.698 ( 0.000 0.000 -3.869) 3.869 3.854 ( 0.000 0.000 -13.064) 13.064 3.876 ( 0.000 0.000 9.656) 9.656 4.055 ( 0.000 0.000 -10.966) 10.966 4.140 ( 0.000 0.000 -13.115) 13.115 4.194 ( 0.000 0.000 2.460) 2.460 4.525 ( 0.000 0.000 -17.615) 17.615 5.046 ( 0.000 0.000 13.246) 13.246 5.183 ( 0.000 0.000 2.682) 2.682 5.298 ( 0.000 0.000 11.421) 11.421 5.721 ( 0.000 0.000 11.352) 11.352 5.795 ( 0.000 0.000 2.681) 2.681 6.145 ( 0.000 0.000 -10.510) 10.510 6.347 ( 0.000 0.000 -10.515) 10.515 6.522 ( 0.000 0.000 -2.083) 2.083 6.603 ( 0.000 0.000 -9.463) 9.463 6.923 ( 0.000 0.000 -0.352) 0.352 7.167 ( 0.000 0.000 -7.183) 7.183 7.240 ( 0.000 0.000 -10.403) 10.403 7.425 ( 0.000 0.000 -5.977) 5.977 7.684 ( 0.000 0.000 11.315) 11.315 7.936 ( 0.000 0.000 -33.395) 33.395 8.080 ( 0.000 0.000 20.319) 20.319 8.232 ( 0.000 0.000 8.265) 8.265 8.246 ( 0.000 0.000 -1.834) 1.834 8.759 ( 0.000 0.000 -5.328) 5.328 8.779 ( 0.000 0.000 -1.822) 1.822 9.291 ( 0.000 0.000 11.940) 11.940 9.469 ( 0.000 0.000 18.888) 18.888 10.347 ( 0.000 0.000 -2.902) 2.902 10.347 ( 0.000 0.000 -13.914) 13.914 10.592 ( 0.000 0.000 6.066) 6.066 10.883 ( 0.000 0.000 -3.654) 3.654 10.970 ( 0.000 0.000 5.896) 5.896 11.309 ( 0.000 0.000 15.278) 15.278 11.508 ( 0.000 0.000 -11.973) 11.973 11.997 ( 0.000 0.000 -6.463) 6.463 12.102 ( 0.000 0.000 -9.404) 9.404 12.270 ( 0.000 0.000 -11.916) 11.916 13.388 ( 0.000 0.000 18.052) 18.052 14.272 ( 0.000 0.000 -7.223) 7.223 14.348 ( 0.000 0.000 14.224) 14.224 14.864 ( 0.000 0.000 16.725) 16.725 14.907 ( 0.000 0.000 -4.578) 4.578 15.420 ( 0.000 0.000 27.371) 27.371 15.887 ( 0.000 0.000 26.024) 26.024 16.426 ( 0.000 0.000 -31.626) 31.626 17.019 ( 0.000 0.000 -20.218) 20.218 17.306 ( 0.000 0.000 -17.761) 17.761 17.680 ( 0.000 0.000 0.811) 0.811 17.803 ( 0.000 0.000 -2.224) 2.224 20.368 ( 0.000 0.000 11.461) 11.461 20.506 ( 0.000 0.000 2.885) 2.885 20.698 ( 0.000 0.000 -1.572) 1.572 20.725 ( 0.000 0.000 -3.473) 3.473 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 8.004 0.000 25.302) 26.538 2.241 ( 4.348 0.000 30.501) 30.809 3.186 ( -1.571 0.000 -9.222) 9.355 3.549 ( 0.096 0.000 6.085) 6.086 3.611 ( 4.546 0.000 -9.180) 10.244 3.773 ( 3.068 0.000 9.364) 9.854 3.797 ( 9.394 0.000 -0.047) 9.395 4.014 ( -3.173 0.000 -7.127) 7.801 4.067 ( 13.575 0.000 3.388) 13.992 4.156 ( -3.672 0.000 1.461) 3.952 4.218 ( 6.191 0.000 -13.519) 14.869 4.559 ( 3.683 0.000 -12.572) 13.100 4.811 ( -17.368 0.000 11.687) 20.934 5.080 ( -9.746 0.000 2.930) 10.177 5.399 ( 5.157 0.000 7.925) 9.455 5.592 ( -7.939 0.000 7.755) 11.098 5.785 ( -1.061 0.000 2.964) 3.148 6.189 ( -0.321 0.000 -4.231) 4.244 6.306 ( -4.392 0.000 -7.068) 8.322 6.417 ( -11.165 0.000 -3.671) 11.753 6.601 ( -2.175 0.000 -9.959) 10.194 6.910 ( 0.997 0.000 2.040) 2.270 7.023 ( -11.876 0.000 -7.605) 14.102 7.110 ( -11.441 0.000 -10.002) 15.197 7.273 ( -5.283 0.000 -1.163) 5.410 7.648 ( -10.326 0.000 -0.472) 10.337 7.951 ( 0.522 0.000 -24.966) 24.971 8.206 ( 0.450 0.000 -1.927) 1.979 8.275 ( 17.483 0.000 18.894) 25.742 8.477 ( 14.825 0.000 4.867) 15.604 8.820 ( 9.678 0.000 -1.001) 9.730 8.932 ( 13.180 0.000 -1.389) 13.253 9.202 ( -3.049 0.000 10.422) 10.859 9.686 ( 13.873 0.000 10.921) 17.656 10.081 ( -13.161 0.000 -6.012) 14.469 10.544 ( 6.828 0.000 -7.357) 10.037 10.625 ( 3.314 0.000 6.490) 7.287 10.904 ( 1.963 0.000 -2.521) 3.196 10.999 ( 2.990 0.000 5.332) 6.113 11.335 ( 2.731 0.000 14.351) 14.609 11.513 ( 0.461 0.000 -11.879) 11.888 12.001 ( 0.362 0.000 -5.920) 5.931 12.106 ( 0.477 0.000 -8.892) 8.905 12.249 ( -2.096 0.000 -11.158) 11.353 13.381 ( -0.499 0.000 17.725) 17.732 14.216 ( -5.856 0.000 -4.288) 7.258 14.343 ( -0.343 0.000 12.264) 12.269 14.697 ( -11.543 0.000 14.391) 18.448 14.768 ( -11.675 0.000 -2.284) 11.896 15.699 ( 22.990 0.000 26.891) 35.379 16.054 ( 16.526 0.000 26.232) 31.003 16.149 ( -21.781 0.000 -29.594) 36.745 17.235 ( 15.144 0.000 -18.275) 23.734 17.519 ( 18.845 0.000 -19.713) 27.272 17.689 ( 0.818 0.000 0.286) 0.867 17.817 ( 1.727 0.000 -2.725) 3.226 20.341 ( -2.654 0.000 10.505) 10.835 20.475 ( -3.081 0.000 1.643) 3.492 20.621 ( -9.873 0.000 -2.656) 10.224 20.673 ( -2.537 0.000 -2.074) 3.277 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 11.172 0.000 16.848) 20.215 2.378 ( 9.714 0.000 24.414) 26.275 3.118 ( -6.518 0.000 -14.118) 15.550 3.538 ( -6.807 0.000 -13.326) 14.964 3.566 ( 2.389 0.000 7.498) 7.870 3.934 ( 3.292 0.000 -3.048) 4.486 3.940 ( -2.863 0.000 -4.094) 4.996 4.023 ( 10.963 0.000 1.692) 11.093 4.079 ( -2.680 0.000 -0.248) 2.692 4.259 ( -5.857 0.000 1.762) 6.116 4.401 ( 16.511 0.000 -0.566) 16.521 4.569 ( -2.066 0.000 -2.965) 3.614 4.714 ( 15.914 0.000 15.360) 22.118 4.895 ( -5.952 0.000 -6.521) 8.828 5.425 ( -4.158 0.000 -10.264) 11.074 5.490 ( -2.864 0.000 7.518) 8.045 5.771 ( 0.910 0.000 10.998) 11.036 6.020 ( -15.184 0.000 3.048) 15.486 6.165 ( -13.373 0.000 -10.518) 17.014 6.178 ( -7.899 0.000 2.097) 8.173 6.552 ( -0.150 0.000 -8.676) 8.677 6.781 ( -11.425 0.000 -7.773) 13.819 6.895 ( -9.541 0.000 -10.715) 14.347 6.938 ( -1.643 0.000 5.593) 5.830 7.258 ( -2.333 0.000 0.384) 2.364 7.431 ( -4.711 0.000 -2.025) 5.128 7.908 ( -3.571 0.000 -19.913) 20.231 8.089 ( -12.539 0.000 -8.863) 15.355 8.665 ( 20.721 0.000 16.522) 26.502 8.801 ( 16.964 0.000 8.388) 18.925 9.096 ( 14.360 0.000 0.175) 14.361 9.200 ( 12.697 0.000 0.240) 12.699 9.215 ( 4.368 0.000 5.485) 7.012 9.798 ( -6.661 0.000 -10.292) 12.260 9.975 ( 6.697 0.000 11.839) 13.602 10.611 ( 0.196 0.000 -4.529) 4.533 10.711 ( 5.155 0.000 7.481) 9.085 10.946 ( 1.924 0.000 0.628) 2.023 11.079 ( 5.006 0.000 2.804) 5.738 11.421 ( 6.165 0.000 11.663) 13.192 11.524 ( 0.440 0.000 -11.343) 11.352 12.009 ( 0.436 0.000 -4.374) 4.396 12.124 ( 1.295 0.000 -8.312) 8.412 12.189 ( -4.071 0.000 -8.777) 9.675 13.380 ( 0.748 0.000 16.597) 16.614 14.050 ( -10.501 0.000 2.985) 10.917 14.337 ( -0.323 0.000 8.807) 8.813 14.516 ( -6.150 0.000 7.570) 9.754 14.552 ( -9.121 0.000 -2.141) 9.369 15.695 ( -23.557 0.000 -27.030) 35.854 16.207 ( 27.808 0.000 25.497) 37.727 16.493 ( 27.183 0.000 25.636) 37.365 17.471 ( 7.792 0.000 -9.831) 12.544 17.705 ( 0.760 0.000 0.301) 0.817 17.885 ( 5.071 0.000 -4.762) 6.957 17.905 ( 17.769 0.000 -17.266) 24.776 20.277 ( -3.382 0.000 7.374) 8.112 20.370 ( -10.684 0.000 -2.250) 10.919 20.406 ( -7.572 0.000 -2.418) 7.949 20.601 ( -4.802 0.000 -3.395) 5.881 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 8.315 0.000 5.385) 9.907 2.612 ( 13.900 0.000 13.781) 19.573 2.932 ( -11.330 0.000 -12.028) 16.524 3.391 ( -8.508 0.000 -11.910) 14.637 3.629 ( 2.734 0.000 2.784) 3.902 3.869 ( -4.650 0.000 2.951) 5.507 3.874 ( -5.304 0.000 1.450) 5.498 3.999 ( -7.374 0.000 0.805) 7.418 4.102 ( 0.668 0.000 9.812) 9.835 4.274 ( 8.723 0.000 0.863) 8.765 4.622 ( 9.561 0.000 -6.179) 11.384 4.627 ( 3.974 0.000 -11.333) 12.010 4.859 ( 1.736 0.000 -9.203) 9.365 5.213 ( -15.991 0.000 -22.323) 27.460 5.239 ( 29.656 0.000 16.977) 34.172 5.462 ( 1.109 0.000 6.788) 6.878 5.726 ( -13.506 0.000 6.834) 15.137 5.844 ( 5.467 0.000 14.965) 15.932 5.953 ( -6.083 0.000 -16.013) 17.129 6.046 ( -4.879 0.000 7.900) 9.285 6.547 ( -4.319 0.000 3.681) 5.675 6.606 ( -6.213 0.000 -7.032) 9.384 6.737 ( -6.942 0.000 -10.813) 12.850 6.797 ( -8.743 0.000 -4.077) 9.647 7.136 ( -5.982 0.000 -3.670) 7.018 7.519 ( 7.554 0.000 -0.903) 7.608 7.756 ( -18.731 0.000 -10.549) 21.497 7.850 ( -3.338 0.000 -10.168) 10.702 9.041 ( 17.058 0.000 13.539) 21.778 9.091 ( 11.986 0.000 7.086) 13.924 9.295 ( 8.047 0.000 0.794) 8.086 9.337 ( 4.675 0.000 1.803) 5.011 9.390 ( 6.225 0.000 2.900) 6.867 9.671 ( -4.906 0.000 -6.268) 7.959 10.126 ( 7.875 0.000 8.664) 11.708 10.564 ( -4.671 0.000 0.278) 4.679 10.813 ( 4.917 0.000 8.288) 9.637 10.967 ( 0.093 0.000 4.321) 4.322 11.190 ( 6.311 0.000 -2.470) 6.777 11.515 ( -1.816 0.000 -10.419) 10.576 11.573 ( 9.147 0.000 8.119) 12.231 12.028 ( 1.810 0.000 -3.187) 3.666 12.089 ( -6.200 0.000 -4.771) 7.823 12.143 ( 0.321 0.000 -7.652) 7.659 13.418 ( 3.211 0.000 14.728) 15.074 13.837 ( -10.678 0.000 8.471) 13.630 14.331 ( -0.236 0.000 5.498) 5.503 14.421 ( -4.580 0.000 -2.419) 5.180 14.475 ( 2.101 0.000 -1.380) 2.514 15.252 ( -21.494 0.000 -23.169) 31.604 16.747 ( 26.584 0.000 21.134) 33.961 17.066 ( 30.269 0.000 23.136) 38.098 17.540 ( -0.320 0.000 -3.543) 3.557 17.730 ( 2.237 0.000 2.242) 3.167 17.964 ( 1.426 0.000 -1.504) 2.073 18.131 ( 3.863 0.000 -5.755) 6.931 20.162 ( -7.905 0.000 -7.082) 10.613 20.231 ( -0.755 0.000 2.046) 2.181 20.283 ( -6.340 0.000 -6.512) 9.089 20.490 ( -6.357 0.000 -4.923) 8.040 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 5.108 0.000 -4.822) 7.024 2.731 ( -8.260 0.000 -9.378) 12.497 2.903 ( 15.373 0.000 2.188) 15.528 3.186 ( -12.843 0.000 -7.621) 14.934 3.674 ( 3.061 0.000 5.248) 6.076 3.762 ( -5.573 0.000 6.479) 8.546 3.804 ( -0.916 0.000 5.344) 5.422 3.853 ( -5.813 0.000 4.835) 7.561 4.244 ( 10.863 0.000 5.356) 12.111 4.377 ( -0.230 0.000 1.409) 1.428 4.702 ( 4.983 0.000 -13.942) 14.805 4.794 ( 7.114 0.000 -9.385) 11.777 4.877 ( -1.187 0.000 -12.963) 13.017 4.889 ( -14.750 0.000 -19.281) 24.276 5.415 ( 1.853 0.000 12.070) 12.211 5.513 ( -8.124 0.000 8.697) 11.901 5.845 ( 20.314 0.000 2.105) 20.423 5.937 ( 3.402 0.000 10.808) 11.331 5.949 ( 3.733 0.000 -8.791) 9.551 5.984 ( -2.097 0.000 8.557) 8.810 6.393 ( -3.249 0.000 8.651) 9.241 6.551 ( 0.693 0.000 -7.193) 7.226 6.603 ( -15.404 0.000 -4.732) 16.114 6.616 ( -5.274 0.000 -8.732) 10.201 7.125 ( 7.134 0.000 -11.063) 13.164 7.373 ( -16.778 0.000 -15.323) 22.722 7.680 ( 6.471 0.000 2.768) 7.038 7.784 ( -4.107 0.000 -2.160) 4.640 9.265 ( 6.280 0.000 4.108) 7.504 9.311 ( 10.267 0.000 9.991) 14.326 9.350 ( -2.455 0.000 2.389) 3.425 9.432 ( -2.028 0.000 6.279) 6.598 9.453 ( 7.819 0.000 -1.138) 7.902 9.583 ( -5.190 0.000 -3.047) 6.018 10.286 ( 8.393 0.000 7.426) 11.207 10.443 ( -7.395 0.000 5.007) 8.930 10.896 ( 3.532 0.000 8.200) 8.928 10.949 ( -1.886 0.000 6.933) 7.185 11.321 ( 6.870 0.000 -6.934) 9.761 11.444 ( -5.285 0.000 -9.153) 10.569 11.763 ( 9.896 0.000 4.389) 10.826 11.945 ( -8.489 0.000 0.025) 8.489 12.078 ( 2.964 0.000 -4.032) 5.004 12.128 ( -1.869 0.000 -6.053) 6.335 13.507 ( 5.910 0.000 12.679) 13.989 13.648 ( -8.518 0.000 10.903) 13.835 14.333 ( 0.630 0.000 2.309) 2.393 14.359 ( -2.097 0.000 -0.356) 2.127 14.599 ( 10.441 0.000 -10.337) 14.692 14.871 ( -17.104 0.000 -17.704) 24.617 17.203 ( 18.975 0.000 12.587) 22.770 17.463 ( -7.925 0.000 2.353) 8.267 17.627 ( 25.972 0.000 18.029) 31.616 17.802 ( 5.225 0.000 4.505) 6.899 17.918 ( -5.505 0.000 4.618) 7.185 18.029 ( -13.938 0.000 8.563) 16.359 20.094 ( 0.757 0.000 -11.624) 11.649 20.163 ( -5.497 0.000 -10.763) 12.085 20.260 ( 3.698 0.000 -3.202) 4.892 20.363 ( -6.345 0.000 -5.432) 8.352 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.000 7.914 24.065) 25.333 2.334 ( 0.000 12.189 29.218) 31.659 3.188 ( 0.000 -1.872 -3.276) 3.773 3.421 ( 0.000 -17.194 -12.993) 21.551 3.497 ( 0.000 -5.160 6.735) 8.484 3.650 ( 0.000 12.710 9.337) 15.771 3.861 ( 0.000 -2.564 2.360) 3.485 3.889 ( 0.000 0.484 -8.175) 8.189 4.110 ( 0.000 0.352 0.525) 0.633 4.133 ( 0.000 0.943 -6.708) 6.774 4.352 ( 0.000 14.947 -7.850) 16.883 4.407 ( 0.000 -8.775 -12.488) 15.262 5.092 ( 0.000 1.386 11.063) 11.150 5.149 ( 0.000 -0.243 4.251) 4.258 5.475 ( 0.000 13.341 8.422) 15.777 5.734 ( 0.000 -4.424 3.422) 5.593 5.815 ( 0.000 10.091 11.719) 15.465 6.109 ( 0.000 -8.449 -12.216) 14.853 6.208 ( 0.000 -15.070 -1.704) 15.166 6.227 ( 0.000 -6.083 -8.849) 10.738 6.680 ( 0.000 1.855 -18.457) 18.550 6.913 ( 0.000 0.440 2.916) 2.949 7.332 ( 0.000 -4.359 -4.943) 6.590 7.478 ( 0.000 9.704 -0.562) 9.720 7.512 ( 0.000 17.961 -2.082) 18.082 7.543 ( 0.000 -5.523 10.202) 11.601 7.932 ( 0.000 -0.277 -33.436) 33.437 8.059 ( 0.000 2.982 7.656) 8.216 8.187 ( 0.000 -5.252 -3.253) 6.178 8.329 ( 0.000 5.752 15.290) 16.336 8.500 ( 0.000 -13.340 -4.044) 13.939 8.918 ( 0.000 2.505 -3.046) 3.944 9.275 ( 0.000 -1.095 11.904) 11.954 9.440 ( 0.000 -2.473 18.348) 18.514 10.334 ( 0.000 -1.039 -13.307) 13.347 10.336 ( 0.000 -0.865 -3.434) 3.542 10.671 ( 0.000 6.449 5.735) 8.630 10.923 ( 0.000 0.842 1.668) 1.869 11.018 ( 0.000 6.602 -0.551) 6.625 11.318 ( 0.000 0.951 10.807) 10.848 11.533 ( 0.000 2.313 -8.577) 8.884 11.956 ( 0.000 -3.623 -6.057) 7.057 12.075 ( 0.000 -2.343 -9.125) 9.421 12.240 ( 0.000 -3.014 -10.758) 11.172 13.437 ( 0.000 4.691 17.409) 18.030 14.250 ( 0.000 -4.672 1.617) 4.944 14.299 ( 0.000 -1.684 6.184) 6.409 14.801 ( 0.000 -8.912 -2.102) 9.157 15.027 ( 0.000 14.796 15.665) 21.548 15.449 ( 0.000 2.617 27.116) 27.242 15.863 ( 0.000 -2.016 25.960) 26.038 16.492 ( 0.000 5.931 -29.555) 30.144 17.037 ( 0.000 1.527 -20.101) 20.159 17.291 ( 0.000 -1.416 -17.743) 17.800 17.463 ( 0.000 -19.087 0.898) 19.108 17.679 ( 0.000 -10.717 -5.473) 12.033 20.351 ( 0.000 0.452 8.703) 8.715 20.610 ( 0.000 -3.335 -1.839) 3.808 20.636 ( 0.000 9.197 4.568) 10.269 20.851 ( 0.000 6.061 -1.438) 6.229 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 8.334 7.708 21.353) 24.183 2.365 ( 3.548 11.329 27.596) 30.041 3.187 ( 0.215 -0.476 -5.892) 5.915 3.416 ( -0.300 -16.200 -9.623) 18.845 3.534 ( 1.111 -6.352 3.923) 7.548 3.662 ( -2.857 1.910 -11.009) 11.533 3.878 ( 11.722 6.066 18.960) 23.102 4.046 ( -1.935 -2.772 2.039) 3.948 4.081 ( 3.098 -2.882 -8.910) 9.864 4.111 ( 4.277 2.516 -2.799) 5.698 4.359 ( -0.291 -1.367 -12.459) 12.537 4.505 ( 8.396 7.806 -7.468) 13.682 4.955 ( -11.109 11.365 11.245) 19.469 5.059 ( -5.767 -2.044 2.323) 6.544 5.530 ( -1.881 4.748 6.993) 8.660 5.580 ( -6.283 4.824 5.239) 9.497 5.819 ( -0.445 3.937 5.188) 6.527 5.961 ( -12.065 -19.362 -6.416) 23.699 6.223 ( -0.747 -0.532 3.089) 3.222 6.276 ( -0.023 -8.758 -9.634) 13.020 6.620 ( -5.126 1.223 -17.594) 18.366 6.856 ( -6.053 -3.810 1.455) 7.299 7.134 ( -12.451 -4.382 -4.719) 14.018 7.335 ( -4.790 17.846 0.697) 18.491 7.453 ( -5.980 13.949 0.032) 15.177 7.608 ( -5.803 -0.461 1.524) 6.017 7.944 ( 1.508 -0.715 -27.269) 27.320 8.115 ( 8.061 -1.389 0.562) 8.199 8.309 ( 7.154 -0.255 4.194) 8.297 8.512 ( 15.792 1.787 11.026) 19.343 8.653 ( 14.744 -9.898 -2.138) 17.887 8.984 ( 8.025 -0.258 -0.506) 8.046 9.199 ( -2.864 0.279 11.238) 11.601 9.632 ( 12.972 -4.623 12.717) 18.745 10.102 ( -11.842 2.202 -7.072) 13.968 10.498 ( 5.162 -3.841 -7.009) 9.514 10.699 ( 2.769 5.845 5.975) 8.805 10.942 ( 1.910 1.003 1.314) 2.526 11.040 ( 2.103 5.539 0.270) 5.930 11.342 ( 2.333 0.691 9.137) 9.455 11.544 ( 1.087 2.797 -7.883) 8.435 11.960 ( 0.406 -3.698 -5.590) 6.715 12.068 ( -0.672 -2.857 -8.132) 8.645 12.229 ( -1.096 -2.429 -10.368) 10.705 13.432 ( -0.295 4.902 17.044) 17.738 14.202 ( -5.078 -2.403 -0.799) 5.674 14.291 ( -0.615 -3.519 9.352) 10.011 14.687 ( -9.830 -6.708 -1.000) 11.943 14.857 ( -11.066 14.010 13.787) 22.557 15.733 ( 22.498 3.015 26.166) 34.640 16.018 ( 13.970 -2.581 23.598) 27.545 16.231 ( -18.804 7.115 -25.535) 32.500 17.219 ( 11.433 -3.098 -15.559) 19.554 17.417 ( 6.796 -12.361 -9.421) 16.963 17.514 ( 8.421 -11.436 -7.624) 16.119 17.736 ( 6.699 -6.035 -8.779) 12.584 20.326 ( -2.422 0.584 7.693) 8.087 20.553 ( -5.783 -1.953 -1.700) 6.336 20.608 ( -2.913 8.642 3.106) 9.634 20.792 ( -5.373 6.489 -1.414) 8.543 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 12.206 7.782 14.680) 20.617 2.486 ( 8.855 9.857 21.603) 25.343 3.185 ( -1.704 4.844 -12.251) 13.284 3.414 ( 0.139 -16.455 -3.193) 16.763 3.437 ( -7.956 -4.098 -5.644) 10.581 3.670 ( 1.078 -7.493 -0.872) 7.620 3.925 ( -4.981 -8.260 9.250) 13.363 4.021 ( -2.899 1.139 -5.409) 6.242 4.166 ( 6.998 3.856 5.137) 9.499 4.314 ( 6.123 -11.093 -4.490) 13.442 4.395 ( 7.804 -3.918 -10.771) 13.866 4.547 ( -3.317 18.226 1.247) 18.567 4.921 ( -1.836 2.010 -12.195) 12.495 4.984 ( 11.239 16.582 18.006) 26.935 5.390 ( -6.076 -5.931 2.871) 8.963 5.550 ( -3.317 7.082 -5.338) 9.468 5.686 ( -12.141 -15.971 1.471) 20.116 5.782 ( -6.366 -3.452 3.699) 8.132 6.152 ( -3.424 6.944 7.052) 10.472 6.233 ( -3.492 -3.653 -6.273) 8.055 6.490 ( -9.663 -4.929 -12.186) 16.315 6.714 ( -5.820 -6.391 -4.605) 9.794 6.897 ( -10.899 2.277 -6.731) 13.011 7.293 ( -2.419 22.277 3.475) 22.676 7.381 ( -7.407 4.191 -0.611) 8.533 7.464 ( 0.740 6.280 2.757) 6.898 7.925 ( -2.226 2.098 -20.622) 20.848 8.102 ( -10.503 2.755 -9.646) 14.524 8.587 ( 20.057 -3.982 9.725) 22.643 8.846 ( 16.794 0.985 11.497) 20.376 8.981 ( 15.758 -8.556 -0.712) 17.945 9.178 ( 8.507 -3.020 4.483) 10.079 9.219 ( 6.263 0.599 3.684) 7.290 9.839 ( 3.968 -0.343 -2.011) 4.462 9.919 ( -2.626 -0.950 5.124) 5.835 10.535 ( -1.037 -6.065 -4.087) 7.387 10.770 ( 4.248 4.527 6.724) 9.152 10.989 ( 2.499 1.886 1.196) 3.351 11.095 ( 3.388 2.745 0.825) 4.438 11.403 ( 3.559 -1.029 3.839) 5.335 11.575 ( 2.161 3.934 -4.571) 6.406 11.972 ( 0.814 -3.633 -4.337) 5.716 12.047 ( -1.700 -4.223 -5.963) 7.502 12.202 ( -1.485 -1.084 -9.186) 9.368 13.435 ( 0.867 5.245 15.857) 16.724 14.056 ( -9.386 0.437 2.892) 9.831 14.279 ( -0.584 -5.102 8.778) 10.170 14.498 ( -8.230 -4.382 -1.821) 9.500 14.690 ( -5.369 15.422 7.386) 17.922 15.784 ( -21.848 8.077 -24.902) 34.098 16.223 ( 26.527 0.878 24.221) 35.933 16.459 ( 25.896 -2.608 24.754) 35.919 17.368 ( 3.877 -12.313 -6.878) 14.626 17.471 ( 1.698 -19.394 0.702) 19.481 17.749 ( 11.054 -5.124 -11.136) 16.506 17.944 ( 12.333 -0.796 -13.176) 18.065 20.269 ( -2.906 1.064 4.484) 5.448 20.397 ( -9.235 1.517 -2.931) 9.807 20.526 ( -5.298 8.945 0.225) 10.399 20.672 ( -6.506 5.591 -2.654) 8.980 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 9.506 9.060 6.975) 14.870 2.703 ( 12.756 8.316 11.170) 18.885 3.071 ( -9.278 11.914 -10.204) 18.225 3.296 ( -6.670 -5.749 -8.280) 12.087 3.428 ( 0.903 -15.873 1.120) 15.938 3.639 ( -4.093 -10.192 0.164) 10.984 3.903 ( 3.633 -8.541 12.794) 15.807 3.949 ( -2.556 -3.619 -5.985) 7.447 4.143 ( -6.003 6.774 6.581) 11.190 4.381 ( 1.265 -11.035 -0.282) 11.111 4.530 ( 0.583 9.164 -7.937) 12.137 4.563 ( 7.021 -3.863 -8.622) 11.771 4.902 ( 0.932 2.726 -8.610) 9.079 5.256 ( -9.511 -1.103 -15.238) 17.996 5.261 ( 4.898 -3.575 13.293) 14.611 5.480 ( 1.051 -5.474 1.235) 5.709 5.562 ( -1.857 0.642 -0.332) 1.993 5.679 ( 3.697 1.051 2.058) 4.360 6.085 ( -7.439 -2.175 5.147) 9.304 6.191 ( 0.749 9.061 -4.303) 10.059 6.296 ( -5.534 -6.230 1.206) 8.420 6.629 ( -4.914 -1.482 -9.310) 10.631 6.788 ( 1.100 2.893 -8.663) 9.199 7.133 ( -11.249 17.017 2.917) 20.607 7.261 ( -4.973 11.448 -0.068) 12.481 7.573 ( 5.902 1.537 5.045) 7.915 7.794 ( -16.349 7.696 -12.646) 22.056 7.899 ( -2.565 5.456 -10.672) 12.257 8.969 ( 17.478 -3.642 8.147) 19.625 9.124 ( 11.278 0.267 10.895) 15.683 9.222 ( 9.854 -6.875 1.811) 12.151 9.316 ( 6.006 -1.507 2.737) 6.770 9.358 ( 5.091 -1.479 1.913) 5.636 9.751 ( -5.818 6.250 -5.092) 9.942 10.046 ( 8.287 -7.513 7.988) 13.745 10.473 ( -4.973 -7.502 -0.497) 9.015 10.857 ( 4.523 3.610 7.400) 9.394 11.021 ( 0.350 3.810 3.019) 4.874 11.176 ( 5.063 -0.947 -1.843) 5.471 11.454 ( 0.549 -3.453 -5.790) 6.764 11.636 ( 4.605 3.661 3.009) 6.607 11.984 ( -2.368 -5.636 -2.917) 6.773 12.008 ( 0.652 -2.118 -3.234) 3.921 12.172 ( -1.736 -0.601 -7.578) 7.798 13.473 ( 3.079 5.282 13.952) 15.233 13.862 ( -9.813 2.466 7.688) 12.707 14.269 ( -0.331 -5.482 5.655) 7.883 14.375 ( -4.660 -4.061 -2.207) 6.563 14.660 ( 2.418 16.617 -0.861) 16.814 15.374 ( -19.698 11.301 -21.386) 31.195 16.733 ( 24.507 -3.171 18.767) 31.030 17.001 ( 28.149 -5.402 21.889) 36.065 17.385 ( -1.627 -16.989 -4.174) 17.570 17.535 ( 5.530 -14.916 5.122) 16.713 17.881 ( 1.656 -3.791 -2.614) 4.894 18.105 ( 2.274 -2.579 -4.624) 5.762 20.232 ( -1.141 2.639 -1.815) 3.400 20.242 ( -4.759 5.226 -5.821) 9.156 20.411 ( -6.154 8.796 -3.713) 11.359 20.540 ( -7.045 4.266 -4.591) 9.429 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 6.212 11.561 -1.976) 13.273 2.887 ( -6.629 13.199 -6.502) 16.138 2.955 ( 10.410 4.378 1.030) 11.340 3.147 ( -8.595 -2.019 -5.231) 10.262 3.462 ( 2.753 -14.227 4.423) 15.151 3.540 ( -5.174 -11.693 4.104) 13.429 3.901 ( 1.564 1.855 3.829) 4.533 4.000 ( -7.561 6.096 6.681) 11.788 4.113 ( 12.743 -10.101 4.244) 16.806 4.326 ( -7.552 -5.223 3.008) 9.662 4.585 ( 5.187 -8.099 -12.854) 16.054 4.648 ( 0.664 -5.347 -9.776) 11.162 4.920 ( 1.835 1.517 -12.648) 12.870 5.036 ( -10.360 3.195 -16.657) 19.875 5.273 ( 1.072 -8.914 7.573) 11.746 5.351 ( -7.015 -7.283 3.995) 10.873 5.698 ( 8.747 -9.051 1.603) 12.689 5.854 ( -3.081 -7.702 4.133) 9.268 5.973 ( 6.924 3.037 -4.224) 8.661 6.139 ( -6.391 6.844 -6.445) 11.368 6.372 ( 10.830 8.937 5.179) 14.966 6.550 ( -4.502 2.843 -5.090) 7.366 6.855 ( 3.121 7.934 -7.444) 11.318 6.935 ( -7.667 16.985 1.897) 18.731 7.200 ( 1.959 9.598 -0.964) 9.843 7.398 ( -16.271 2.158 -6.149) 17.527 7.747 ( 5.987 8.243 -0.985) 10.236 7.845 ( -3.798 6.722 -3.795) 8.603 9.224 ( 8.299 -3.494 5.673) 10.642 9.289 ( 3.894 -1.910 10.649) 11.498 9.360 ( 1.054 -0.749 2.445) 2.766 9.370 ( 2.485 -2.493 3.533) 4.988 9.458 ( 7.299 -0.302 0.187) 7.308 9.622 ( -7.843 3.259 -1.891) 8.701 10.207 ( 8.072 -7.448 5.541) 12.302 10.355 ( -6.929 -7.852 3.038) 10.904 10.940 ( 3.811 3.705 7.156) 8.914 11.001 ( -2.244 4.257 5.658) 7.427 11.291 ( 6.438 -2.775 -6.090) 9.286 11.407 ( -4.839 -3.275 -8.640) 10.431 11.755 ( 6.999 -0.297 4.468) 8.309 11.888 ( -6.216 -3.687 1.124) 7.314 12.062 ( 3.502 -1.695 -3.970) 5.559 12.128 ( -2.904 -1.144 -5.770) 6.560 13.557 ( 5.518 4.824 11.919) 13.992 13.688 ( -7.886 3.871 10.134) 13.412 14.273 ( 0.888 -5.227 2.335) 5.794 14.306 ( -2.554 -4.672 -0.292) 5.333 14.780 ( 9.662 16.289 -9.029) 20.981 15.028 ( -15.476 14.298 -16.004) 26.459 17.126 ( 14.695 -11.099 7.954) 20.060 17.314 ( -5.640 -17.381 -0.531) 18.281 17.498 ( 20.728 -8.907 15.140) 27.170 17.711 ( 11.854 -5.288 10.184) 16.498 17.803 ( -8.094 -5.525 7.638) 12.425 18.005 ( -11.935 -2.699 7.419) 14.309 20.200 ( 1.298 8.173 -10.314) 13.224 20.248 ( -0.686 6.079 -8.653) 10.597 20.318 ( -0.617 5.546 -4.568) 7.212 20.403 ( -6.608 3.489 -5.489) 9.272 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 13.064 16.088) 20.725 2.678 ( 0.000 18.928 23.771) 30.387 2.995 ( 0.000 -16.285 5.404) 17.158 3.223 ( 0.000 0.040 -15.183) 15.183 3.321 ( 0.000 -10.458 6.576) 12.353 3.701 ( 0.000 -14.248 -2.205) 14.417 3.863 ( 0.000 -1.265 -10.768) 10.842 3.865 ( 0.000 3.575 -6.356) 7.292 4.164 ( 0.000 1.903 -2.079) 2.819 4.164 ( 0.000 3.240 -3.792) 4.988 4.374 ( 0.000 8.959 -7.003) 11.371 4.628 ( 0.000 8.397 -5.868) 10.244 5.074 ( 0.000 3.857 3.714) 5.354 5.301 ( 0.000 9.184 11.920) 15.048 5.507 ( 0.000 -9.943 -1.461) 10.050 5.699 ( 0.000 -13.077 3.764) 13.608 5.875 ( 0.000 7.876 -1.433) 8.005 6.047 ( 0.000 3.641 3.347) 4.946 6.187 ( 0.000 8.785 2.318) 9.086 6.189 ( 0.000 6.419 -4.073) 7.602 6.632 ( 0.000 -6.198 -17.207) 18.289 6.895 ( 0.000 -4.791 11.760) 12.698 7.129 ( 0.000 -17.594 7.628) 19.176 7.180 ( 0.000 -8.113 -1.099) 8.187 7.802 ( 0.000 10.294 -0.348) 10.300 7.909 ( 0.000 13.933 2.449) 14.146 7.924 ( 0.000 -0.228 -29.266) 29.267 8.072 ( 0.000 -2.428 -10.436) 10.715 8.231 ( 0.000 8.824 2.590) 9.197 8.237 ( 0.000 -11.212 -1.984) 11.386 8.445 ( 0.000 6.773 10.165) 12.215 8.872 ( 0.000 -6.433 -2.940) 7.073 9.266 ( 0.000 0.563 12.755) 12.768 9.376 ( 0.000 -3.414 16.998) 17.337 10.314 ( 0.000 -0.676 -10.739) 10.760 10.318 ( 0.000 -0.754 -4.831) 4.889 10.808 ( 0.000 5.466 4.835) 7.298 10.915 ( 0.000 -0.954 4.050) 4.161 11.199 ( 0.000 8.628 -4.718) 9.834 11.349 ( 0.000 1.439 2.173) 2.607 11.605 ( 0.000 4.543 -2.924) 5.403 11.857 ( 0.000 -5.620 -3.941) 6.865 12.023 ( 0.000 -1.790 -8.379) 8.568 12.142 ( 0.000 -5.837 -8.552) 10.354 13.586 ( 0.000 9.292 15.539) 18.105 14.064 ( 0.000 -11.127 11.537) 16.028 14.317 ( 0.000 2.525 -1.336) 2.857 14.586 ( 0.000 -10.122 0.898) 10.161 15.433 ( 0.000 20.139 14.489) 24.809 15.522 ( 0.000 4.007 26.402) 26.704 15.836 ( 0.000 2.066 24.054) 24.143 16.614 ( 0.000 -0.385 -15.206) 15.211 16.984 ( 0.000 -18.521 -7.264) 19.895 17.071 ( 0.000 1.018 -20.086) 20.111 17.259 ( 0.000 -1.947 -17.766) 17.872 17.412 ( 0.000 -13.017 -12.802) 18.257 20.399 ( 0.000 3.663 6.129) 7.140 20.552 ( 0.000 -2.678 0.034) 2.679 20.822 ( 0.000 7.540 4.279) 8.670 20.941 ( 0.000 2.104 1.138) 2.392 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 6.111 11.246 14.205) 19.121 2.687 ( 1.652 17.857 21.268) 27.819 3.010 ( 1.300 -17.040 2.235) 17.235 3.189 ( -0.665 -2.805 -7.147) 7.706 3.417 ( 5.884 -4.821 2.661) 8.059 3.673 ( -3.345 -3.604 -6.851) 8.433 3.885 ( 3.958 -8.766 -6.951) 11.867 3.948 ( 4.036 -4.148 -7.980) 9.858 4.022 ( -9.676 1.600 0.725) 9.835 4.153 ( -3.293 -0.322 -2.936) 4.424 4.427 ( 5.652 12.986 -5.707) 15.270 4.725 ( 8.345 6.331 -6.042) 12.092 5.071 ( -1.629 5.166 -2.563) 5.993 5.213 ( -4.709 10.463 14.534) 18.517 5.432 ( -7.657 -8.314 0.244) 11.305 5.573 ( -11.379 -13.537 2.193) 17.820 5.825 ( -2.642 9.848 -0.398) 10.204 6.000 ( -8.230 11.131 2.960) 14.156 6.115 ( 3.074 -3.364 -5.617) 7.233 6.332 ( 2.062 7.314 3.688) 8.447 6.570 ( -4.918 -4.973 -15.932) 17.400 6.752 ( -12.019 -6.458 7.921) 15.777 6.977 ( -8.614 -7.429 -0.385) 11.382 7.271 ( 4.029 -15.778 8.117) 18.195 7.691 ( -5.434 11.858 0.612) 13.058 7.904 ( -4.060 14.994 -6.655) 16.900 7.936 ( 0.611 -0.092 -22.462) 22.471 8.211 ( 9.911 6.206 -6.352) 13.307 8.344 ( 8.181 7.642 0.581) 11.210 8.381 ( 14.404 -10.266 -1.830) 17.782 8.572 ( 12.309 -1.719 9.804) 15.829 8.881 ( 3.942 -8.891 -0.421) 9.735 9.242 ( -0.087 4.117 13.071) 13.704 9.511 ( 9.597 -6.526 14.545) 18.608 10.176 ( -7.479 4.545 -7.315) 11.407 10.398 ( 1.762 -5.338 -6.650) 8.707 10.824 ( 1.598 5.070 5.003) 7.300 10.933 ( 1.788 -1.157 3.882) 4.428 11.200 ( 0.172 7.906 -4.251) 8.978 11.361 ( 1.130 0.663 0.571) 1.429 11.624 ( 1.775 4.682 -2.294) 5.508 11.860 ( 0.412 -5.397 -3.336) 6.358 12.015 ( -0.865 -1.548 -7.213) 7.428 12.139 ( -0.306 -5.629 -8.382) 10.101 13.586 ( 0.133 9.476 15.014) 17.754 14.055 ( -0.905 -10.288 9.950) 14.341 14.280 ( -3.713 2.093 0.417) 4.282 14.516 ( -6.372 -8.394 0.728) 10.563 15.244 ( -8.781 20.638 13.757) 26.311 15.778 ( 15.422 -1.609 23.229) 27.929 16.009 ( 16.661 5.187 23.103) 28.953 16.427 ( -15.276 10.356 -20.287) 27.426 16.917 ( 0.744 -25.220 2.934) 25.401 17.068 ( -5.544 -14.407 -14.144) 20.936 17.434 ( 16.639 1.495 -18.188) 24.696 17.611 ( 14.792 -5.538 -16.433) 22.793 20.375 ( -2.273 3.618 5.180) 6.715 20.513 ( -3.816 -2.004 -0.446) 4.333 20.791 ( -3.098 7.401 3.294) 8.674 20.894 ( -4.512 2.737 0.608) 5.312 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 10.349 7.232 10.176) 16.216 2.766 ( 6.363 15.405 15.230) 22.577 3.039 ( 1.751 -16.534 -1.099) 16.663 3.211 ( 1.998 -2.973 -2.315) 4.265 3.466 ( -1.847 3.456 -1.926) 4.367 3.599 ( -3.275 1.649 -6.624) 7.571 3.784 ( -9.567 -4.489 6.342) 12.325 3.950 ( -1.680 -8.415 -6.135) 10.549 3.984 ( -1.366 -12.409 -9.114) 15.457 4.129 ( 1.856 -7.722 1.313) 8.049 4.543 ( 4.498 14.040 -4.026) 15.283 4.869 ( 4.126 6.917 -2.953) 8.578 4.984 ( -4.742 5.324 -7.189) 10.124 5.206 ( -3.648 -0.389 12.034) 12.581 5.273 ( -4.795 -2.407 -2.060) 5.747 5.414 ( 0.689 -1.146 -0.962) 1.647 5.705 ( -9.152 6.740 -0.888) 11.401 5.881 ( -3.488 7.109 4.060) 8.899 6.162 ( 1.794 -3.687 -10.282) 11.070 6.218 ( -12.750 -2.808 -7.050) 14.837 6.431 ( -7.850 1.938 5.345) 9.693 6.584 ( -4.043 -6.318 -4.473) 8.733 6.861 ( -3.035 -0.754 -1.966) 3.694 7.319 ( 0.074 -10.379 2.494) 10.675 7.614 ( -2.467 9.300 1.941) 9.816 7.771 ( -7.013 17.100 2.995) 18.723 7.992 ( 3.311 4.822 -16.828) 17.816 8.211 ( -7.077 5.168 -5.289) 10.235 8.629 ( 17.972 9.191 -1.414) 20.235 8.726 ( 18.719 -10.649 -0.810) 21.552 8.810 ( 11.959 -8.260 8.908) 17.047 9.090 ( 14.702 -5.796 1.632) 15.887 9.271 ( 2.672 5.556 10.884) 12.509 9.679 ( 7.220 -10.575 12.222) 17.701 10.038 ( -6.647 7.890 -6.128) 12.000 10.382 ( -3.176 -7.990 -4.428) 9.671 10.869 ( 2.992 4.232 5.382) 7.471 10.982 ( 3.214 -1.639 3.296) 4.887 11.204 ( 0.140 6.259 -3.440) 7.143 11.384 ( 0.898 -1.239 -2.872) 3.254 11.666 ( 2.373 4.565 -0.300) 5.154 11.874 ( 1.067 -4.752 -1.856) 5.212 11.990 ( -1.633 -1.012 -4.727) 5.102 12.128 ( -0.815 -5.306 -7.429) 9.166 13.597 ( 1.170 9.768 13.506) 16.709 14.026 ( -2.473 -5.897 6.079) 8.823 14.184 ( -5.309 -0.728 5.503) 7.681 14.379 ( -6.901 -6.413 -0.451) 9.431 15.131 ( -2.677 25.093 7.208) 26.245 15.973 ( -6.785 3.352 -7.509) 10.662 16.202 ( 7.760 0.780 6.302) 10.026 16.456 ( 23.789 4.106 22.659) 33.109 16.962 ( -4.847 -23.103 -9.618) 25.491 17.004 ( 8.080 -21.926 8.807) 24.972 17.732 ( 12.260 2.209 -13.186) 18.141 17.890 ( 12.091 -3.777 -13.400) 18.440 20.324 ( -2.426 3.582 2.238) 4.871 20.419 ( -5.138 0.165 -2.285) 5.626 20.706 ( -5.453 7.092 0.578) 8.965 20.780 ( -6.852 3.615 -1.187) 7.837 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 11.145 4.641 5.120) 13.114 2.907 ( 7.020 10.061 8.159) 14.734 3.089 ( 3.528 -12.848 -0.494) 13.333 3.225 ( -0.775 -3.263 -1.069) 3.520 3.358 ( -8.391 11.509 -4.708) 15.001 3.512 ( -6.661 -0.311 1.739) 6.891 3.718 ( 3.930 -2.530 4.717) 6.640 3.863 ( -3.045 -6.806 -5.949) 9.538 3.981 ( -1.886 -18.492 3.390) 18.895 4.164 ( 4.108 -9.113 -3.549) 10.607 4.605 ( 1.865 8.411 -0.834) 8.656 4.760 ( -13.112 6.657 -8.720) 17.097 4.947 ( -1.670 1.330 -6.267) 6.620 5.099 ( -3.979 -7.455 3.461) 9.132 5.180 ( -6.628 1.292 -3.110) 7.435 5.448 ( -4.261 1.341 -6.499) 7.886 5.647 ( 1.553 4.047 -5.318) 6.861 5.831 ( -5.265 -1.844 8.633) 10.278 5.942 ( -2.581 3.412 -11.439) 12.212 6.240 ( 4.381 -0.884 -7.710) 8.911 6.371 ( 0.696 1.260 5.455) 5.642 6.555 ( 2.162 -5.031 -9.817) 11.241 6.821 ( -1.895 4.521 -4.105) 6.394 7.249 ( -7.037 -4.881 -5.025) 9.929 7.571 ( -3.177 8.943 7.021) 11.806 7.686 ( -1.628 16.719 7.602) 18.438 7.994 ( -4.852 5.377 -1.875) 7.481 8.077 ( -3.052 9.284 -6.408) 11.686 8.939 ( 12.840 -1.939 3.679) 13.497 9.049 ( 14.958 -6.586 1.525) 16.415 9.100 ( 16.153 1.093 5.783) 17.192 9.316 ( 4.860 1.161 8.506) 9.865 9.331 ( 5.063 -0.417 1.735) 5.368 9.813 ( 7.301 -14.290 6.950) 17.488 9.902 ( -7.727 7.861 -4.415) 11.874 10.284 ( -6.598 -9.748 -2.463) 12.025 10.940 ( 4.263 3.799 5.343) 7.820 11.056 ( 4.180 -1.150 1.548) 4.603 11.198 ( -0.747 3.684 -1.894) 4.209 11.382 ( -1.457 -3.595 -6.572) 7.631 11.714 ( 2.675 3.996 2.754) 5.542 11.897 ( 0.372 -2.476 -0.246) 2.516 11.959 ( -0.626 -1.919 -2.453) 3.177 12.105 ( -1.706 -5.183 -5.670) 7.869 13.636 ( 2.814 9.728 11.417) 15.261 13.937 ( -6.324 3.783 5.333) 9.096 14.118 ( -1.124 -7.689 6.695) 10.257 14.260 ( -5.275 -6.574 -0.556) 8.448 15.138 ( 3.262 27.655 0.081) 27.847 15.708 ( -14.576 19.551 -16.570) 29.484 16.451 ( 11.802 -23.956 7.652) 27.780 16.837 ( -0.664 -24.908 -2.725) 25.066 16.985 ( 21.544 -1.429 17.444) 27.757 17.248 ( 16.738 -10.832 14.244) 24.503 17.871 ( 1.229 2.028 -3.153) 3.945 18.030 ( 1.280 -4.265 -3.838) 5.878 20.302 ( 0.644 3.735 -2.251) 4.408 20.343 ( -1.915 3.084 -5.703) 6.761 20.586 ( -6.652 6.703 -3.153) 9.956 20.636 ( -7.691 3.866 -3.776) 9.399 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 8.259 5.033 0.084) 9.672 3.015 ( 3.715 2.285 2.332) 4.946 3.140 ( -1.052 -2.164 -4.371) 4.990 3.175 ( -6.060 2.519 -5.839) 8.784 3.242 ( 2.941 4.064 7.932) 9.385 3.368 ( -7.682 -0.401 4.935) 9.139 3.776 ( 2.370 -12.976 11.223) 17.319 3.863 ( -5.072 -14.415 9.666) 18.082 4.031 ( 15.332 1.929 -7.750) 17.287 4.322 ( 2.428 1.385 -0.898) 2.936 4.448 ( -7.742 -1.831 -11.980) 14.381 4.602 ( -5.825 0.256 -5.586) 8.075 4.912 ( -0.562 -0.475 -7.881) 7.915 4.984 ( -8.425 -2.538 -8.904) 12.518 5.109 ( 2.949 -8.186 -2.750) 9.125 5.256 ( -11.903 -7.002 -7.743) 15.832 5.666 ( 4.281 5.333 0.587) 6.864 5.756 ( -3.746 6.355 2.221) 7.704 6.078 ( 9.237 0.579 -8.069) 12.279 6.228 ( -5.476 -2.542 -7.164) 9.369 6.483 ( 9.289 2.860 -2.522) 10.041 6.622 ( -1.530 5.841 -3.300) 6.881 6.834 ( 7.557 -5.851 -11.472) 14.932 7.060 ( -11.920 -5.463 -9.028) 15.920 7.535 ( 0.899 17.552 11.827) 21.183 7.613 ( -5.910 19.491 11.008) 23.152 7.957 ( 2.428 6.304 1.926) 7.025 8.026 ( -3.445 6.895 -1.463) 7.845 9.149 ( 8.812 -2.515 7.553) 11.875 9.262 ( -0.331 1.216 8.716) 8.807 9.292 ( 6.659 -3.387 6.522) 9.917 9.375 ( -0.517 -0.018 3.114) 3.157 9.465 ( 13.153 2.335 -1.084) 13.402 9.717 ( -11.403 5.983 -2.594) 13.136 9.972 ( 8.549 -14.503 1.122) 16.873 10.137 ( -8.179 -12.004 -1.124) 14.570 11.029 ( 4.529 4.267 4.174) 7.493 11.098 ( -1.592 4.376 1.884) 5.024 11.217 ( 4.222 -3.654 -3.283) 6.477 11.319 ( -4.897 -4.803 -6.699) 9.588 11.777 ( 3.812 2.859 3.708) 6.038 11.855 ( -3.744 1.280 1.945) 4.410 11.996 ( 3.302 -4.616 -2.316) 6.130 12.060 ( -2.894 -5.066 -3.736) 6.927 13.708 ( 4.515 9.066 9.383) 13.806 13.811 ( -6.076 7.563 7.544) 12.289 14.125 ( 1.509 -8.577 3.673) 9.452 14.174 ( -3.493 -7.645 1.124) 8.480 15.252 ( 8.128 27.594 -6.585) 29.511 15.448 ( -11.849 24.903 -12.306) 30.200 16.631 ( 7.197 -31.962 0.250) 32.763 16.751 ( -5.408 -32.185 -3.822) 32.859 17.438 ( 21.146 1.818 16.192) 26.695 17.612 ( 18.543 -4.750 13.972) 23.699 17.769 ( -11.166 1.527 8.045) 13.847 17.926 ( -11.507 -4.418 7.183) 14.266 20.353 ( 3.777 4.998 -7.214) 9.554 20.361 ( 4.146 4.522 -6.935) 9.259 20.457 ( -6.041 5.910 -6.381) 10.590 20.487 ( -7.270 3.740 -5.710) 9.972 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 0.000 -15.961 8.156) 17.925 2.632 ( 0.000 15.961 8.156) 17.925 3.074 ( 0.000 -14.492 14.800) 20.714 3.074 ( 0.000 14.492 14.800) 20.714 3.351 ( 0.000 -13.633 -2.892) 13.937 3.351 ( 0.000 13.633 -2.892) 13.937 3.865 ( 0.000 -1.138 -16.189) 16.229 3.865 ( 0.000 1.138 -16.189) 16.229 4.198 ( 0.000 -0.236 -5.260) 5.265 4.198 ( 0.000 0.236 -5.260) 5.265 4.615 ( 0.000 -9.219 -6.890) 11.509 4.615 ( 0.000 9.219 -6.890) 11.509 5.261 ( 0.000 -11.589 0.336) 11.594 5.261 ( 0.000 11.589 0.336) 11.594 5.480 ( 0.000 -8.074 11.343) 13.922 5.480 ( 0.000 8.074 11.343) 13.922 5.995 ( 0.000 -4.074 -5.819) 7.104 5.995 ( 0.000 4.074 -5.819) 7.104 6.413 ( 0.000 -9.320 -2.525) 9.656 6.413 ( 0.000 9.320 -2.525) 9.656 6.566 ( 0.000 -17.751 11.585) 21.197 6.566 ( 0.000 17.751 11.585) 21.197 7.037 ( 0.000 -4.179 0.718) 4.241 7.037 ( 0.000 4.179 0.718) 4.241 7.938 ( 0.000 -1.886 -19.952) 20.041 7.938 ( 0.000 1.886 -19.952) 20.041 8.004 ( 0.000 -9.598 -2.715) 9.975 8.004 ( 0.000 9.598 -2.715) 9.975 8.239 ( 0.000 -7.050 8.329) 10.912 8.239 ( 0.000 7.050 8.329) 10.912 8.670 ( 0.000 -11.950 -2.581) 12.226 8.670 ( 0.000 11.950 -2.581) 12.226 9.305 ( 0.000 -2.967 15.106) 15.395 9.305 ( 0.000 2.967 15.106) 15.395 10.308 ( 0.000 -0.112 -7.318) 7.318 10.308 ( 0.000 0.112 -7.318) 7.318 10.885 ( 0.000 -2.127 4.115) 4.632 10.885 ( 0.000 2.127 4.115) 4.632 11.336 ( 0.000 -3.601 -4.084) 5.445 11.336 ( 0.000 3.601 -4.084) 5.445 11.725 ( 0.000 -6.502 -0.909) 6.566 11.725 ( 0.000 6.502 -0.909) 6.566 12.034 ( 0.000 -3.250 -7.824) 8.472 12.034 ( 0.000 3.250 -7.824) 8.472 13.815 ( 0.000 -11.892 13.411) 17.924 13.815 ( 0.000 11.892 13.411) 17.924 14.409 ( 0.000 -6.369 0.360) 6.379 14.409 ( 0.000 6.369 0.360) 6.379 15.598 ( 0.000 -2.076 24.463) 24.551 15.598 ( 0.000 2.076 24.463) 24.551 16.190 ( 0.000 -27.644 10.425) 29.544 16.190 ( 0.000 27.644 10.425) 29.544 17.003 ( 0.000 -8.519 -22.642) 24.192 17.003 ( 0.000 8.519 -22.642) 24.192 17.237 ( 0.000 -1.502 -17.505) 17.569 17.237 ( 0.000 1.502 -17.505) 17.569 20.483 ( 0.000 -3.851 3.037) 4.905 20.483 ( 0.000 3.851 3.037) 4.905 20.934 ( 0.000 -2.854 3.162) 4.259 20.934 ( 0.000 2.854 3.162) 4.259 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 2.697 -14.880 6.268) 16.370 2.660 ( 2.697 14.880 6.268) 16.370 3.047 ( -0.742 -12.723 11.395) 17.096 3.047 ( -0.742 12.723 11.395) 17.096 3.448 ( 6.989 -9.793 2.405) 12.269 3.448 ( 6.989 9.793 2.405) 12.269 3.858 ( -1.220 -3.635 -18.398) 18.793 3.858 ( -1.220 3.635 -18.398) 18.793 4.099 ( -8.654 -4.208 -2.637) 9.977 4.099 ( -8.654 4.208 -2.637) 9.977 4.695 ( 7.067 -9.199 -7.692) 13.919 4.695 ( 7.067 9.199 -7.692) 13.919 5.230 ( -3.561 -8.845 0.674) 9.559 5.230 ( -3.561 8.845 0.674) 9.559 5.393 ( -6.125 -5.991 10.212) 13.330 5.393 ( -6.125 5.991 10.212) 13.330 5.975 ( -2.348 -5.914 -5.544) 8.440 5.975 ( -2.348 5.914 -5.544) 8.440 6.323 ( -8.292 -11.790 -4.656) 15.147 6.323 ( -8.292 11.790 -4.656) 15.147 6.582 ( -2.099 -7.802 9.701) 12.625 6.582 ( -2.099 7.802 9.701) 12.625 6.976 ( -1.612 -8.907 2.694) 9.444 6.976 ( -1.612 8.907 2.694) 9.444 7.877 ( -3.662 -5.830 -10.639) 12.672 7.877 ( -3.662 5.830 -10.639) 12.672 8.139 ( 9.918 -9.509 -9.129) 16.496 8.139 ( 9.918 9.509 -9.129) 16.496 8.408 ( 11.273 -8.041 5.766) 14.999 8.408 ( 11.273 8.041 5.766) 14.999 8.644 ( 2.505 -12.205 -1.323) 12.529 8.644 ( 2.505 12.205 -1.323) 12.529 9.365 ( 4.830 -6.962 14.779) 17.036 9.365 ( 4.830 6.962 14.779) 17.036 10.283 ( -2.524 -5.412 -6.679) 8.959 10.283 ( -2.524 5.412 -6.679) 8.959 10.899 ( 1.363 -2.248 4.173) 4.932 10.899 ( 1.363 2.248 4.173) 4.932 11.333 ( -0.259 -4.019 -4.522) 6.056 11.333 ( -0.259 4.019 -4.522) 6.056 11.739 ( 1.311 -5.970 -0.534) 6.136 11.739 ( 1.311 5.970 -0.534) 6.136 12.031 ( -0.307 -3.446 -7.129) 7.924 12.031 ( -0.307 3.446 -7.129) 7.924 13.815 ( 0.152 -11.707 12.601) 17.201 13.815 ( 0.152 11.707 12.601) 17.201 14.363 ( -4.459 -5.728 0.629) 7.286 14.363 ( -4.459 5.728 0.629) 7.286 15.620 ( 2.107 -12.982 19.123) 23.209 15.620 ( 2.107 12.982 19.123) 23.209 16.306 ( 11.660 -21.094 14.062) 27.904 16.306 ( 11.660 21.094 14.062) 27.904 16.764 ( -14.894 -12.924 -18.489) 27.031 16.764 ( -14.894 12.924 -18.489) 27.031 17.504 ( 17.258 -4.484 -18.495) 25.691 17.504 ( 17.258 4.484 -18.495) 25.691 20.455 ( -2.677 -3.496 2.262) 4.950 20.455 ( -2.677 3.496 2.262) 4.950 20.898 ( -3.570 -2.489 2.348) 4.945 20.898 ( -3.570 2.489 2.348) 4.945 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 5.483 -11.423 3.715) 13.204 2.738 ( 5.483 11.423 3.715) 13.204 3.070 ( 2.349 -11.197 7.565) 13.715 3.070 ( 2.349 11.197 7.565) 13.715 3.553 ( 3.419 -8.343 6.465) 11.095 3.553 ( 3.419 8.343 6.465) 11.095 3.783 ( -6.548 -8.621 -17.598) 20.661 3.783 ( -6.548 8.621 -17.598) 20.661 3.950 ( -5.274 -7.572 0.804) 9.263 3.950 ( -5.274 7.572 0.804) 9.263 4.805 ( 2.097 -9.540 -8.881) 13.201 4.805 ( 2.097 9.540 -8.881) 13.201 5.107 ( -7.613 -6.266 3.111) 10.340 5.107 ( -7.613 6.266 3.111) 10.340 5.376 ( 4.621 -6.766 3.678) 8.982 5.376 ( 4.621 6.766 3.678) 8.982 5.871 ( -10.013 -7.984 -0.913) 12.839 5.871 ( -10.013 7.984 -0.913) 12.839 6.148 ( -6.091 -3.541 -10.545) 12.682 6.148 ( -6.091 3.541 -10.545) 12.682 6.472 ( -6.292 -3.385 1.144) 7.236 6.472 ( -6.292 3.385 1.144) 7.236 7.026 ( 3.826 -14.320 4.139) 15.389 7.026 ( 3.826 14.320 4.139) 15.389 7.808 ( -3.053 -7.621 -2.554) 8.598 7.808 ( -3.053 7.621 -2.554) 8.598 8.227 ( -2.697 -8.840 -6.049) 11.046 8.227 ( -2.697 8.840 -6.049) 11.046 8.601 ( 13.844 -4.155 4.250) 15.066 8.601 ( 13.844 4.155 4.250) 15.066 8.909 ( 19.015 -11.437 -2.856) 22.373 8.909 ( 19.015 11.437 -2.856) 22.373 9.448 ( 3.004 -10.473 14.045) 17.776 9.448 ( 3.004 10.473 14.045) 17.776 10.210 ( -5.038 -8.241 -5.148) 10.945 10.210 ( -5.038 8.241 -5.148) 10.945 10.939 ( 2.750 -2.505 4.147) 5.571 10.939 ( 2.750 2.505 4.147) 5.571 11.324 ( -0.764 -4.579 -5.300) 7.046 11.324 ( -0.764 4.579 -5.300) 7.046 11.771 ( 1.924 -5.205 0.474) 5.569 11.771 ( 1.924 5.205 0.474) 5.569 12.020 ( -0.955 -3.902 -5.247) 6.608 12.020 ( -0.955 3.902 -5.247) 6.608 13.825 ( 0.977 -11.161 10.549) 15.389 13.825 ( 0.977 11.161 10.549) 15.389 14.249 ( -6.738 -5.345 1.452) 8.723 14.249 ( -6.738 5.345 1.452) 8.723 15.677 ( 3.766 -24.150 9.535) 26.235 15.677 ( 3.766 24.150 9.535) 26.235 16.487 ( -11.596 -20.031 -13.831) 26.963 16.487 ( -11.596 20.031 -13.831) 26.963 16.634 ( 19.434 -12.325 18.159) 29.314 16.634 ( 19.434 12.325 18.159) 29.314 17.803 ( 12.139 -4.073 -13.343) 18.493 17.803 ( 12.139 4.073 -13.343) 18.493 20.394 ( -3.022 -2.513 -0.229) 3.937 20.394 ( -3.022 2.513 -0.229) 3.937 20.802 ( -6.040 -1.755 0.044) 6.290 20.802 ( -6.040 1.755 0.044) 6.290 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 7.591 -6.949 1.828) 10.452 2.870 ( 7.591 6.949 1.828) 10.452 3.105 ( 1.223 -7.532 1.614) 7.799 3.105 ( 1.223 7.532 1.614) 7.799 3.555 ( -4.515 -6.586 11.218) 13.770 3.555 ( -4.515 6.586 11.218) 13.770 3.679 ( -4.178 -3.148 -4.353) 6.805 3.679 ( -4.178 3.148 -4.353) 6.805 3.915 ( 4.936 -12.182 -6.679) 14.744 3.915 ( 4.936 12.182 -6.679) 14.744 4.770 ( -5.390 -5.147 -5.651) 9.353 4.770 ( -5.390 5.147 -5.651) 9.353 4.981 ( -4.618 -3.402 -2.475) 6.247 4.981 ( -4.618 3.402 -2.475) 6.247 5.363 ( -13.350 -10.888 -3.018) 17.489 5.363 ( -13.350 10.888 -3.018) 17.489 5.723 ( 3.188 -7.203 -1.978) 8.122 5.723 ( 3.188 7.203 -1.978) 8.122 6.119 ( -0.563 -9.244 -4.853) 10.455 6.119 ( -0.563 9.244 -4.853) 10.455 6.424 ( 3.613 -5.933 -7.288) 10.068 6.424 ( 3.613 5.933 -7.288) 10.068 7.033 ( -4.154 -12.695 -3.890) 13.913 7.033 ( -4.154 12.695 -3.890) 13.913 7.787 ( 1.575 -8.512 7.897) 11.717 7.787 ( 1.575 8.512 7.897) 11.717 8.126 ( -6.274 -6.597 1.103) 9.170 8.126 ( -6.274 6.597 1.103) 9.170 8.907 ( 15.687 -3.807 4.093) 16.653 8.907 ( 15.687 3.807 4.093) 16.653 9.261 ( 15.213 -5.714 -3.507) 16.625 9.261 ( 15.213 5.714 -3.507) 16.625 9.481 ( 1.346 -14.516 10.871) 18.186 9.481 ( 1.346 14.516 10.871) 18.186 10.082 ( -8.183 -9.133 -3.813) 12.842 10.082 ( -8.183 9.133 -3.813) 12.842 11.009 ( 4.522 -2.785 3.103) 6.150 11.009 ( 4.522 2.785 3.103) 6.150 11.294 ( -2.616 -4.700 -5.041) 7.372 11.294 ( -2.616 4.700 -5.041) 7.372 11.815 ( 2.645 -5.230 1.358) 6.016 11.815 ( 2.645 5.230 1.358) 6.016 11.991 ( -2.057 -4.566 -2.732) 5.705 11.991 ( -2.057 4.566 -2.732) 5.705 13.856 ( 2.221 -10.211 8.115) 13.231 13.856 ( 2.221 10.211 8.115) 13.231 14.116 ( -6.622 -6.301 2.712) 9.534 14.116 ( -6.622 6.301 2.712) 9.534 15.769 ( 5.780 -29.127 1.825) 29.751 15.769 ( 5.780 29.127 1.825) 29.751 16.264 ( -10.701 -23.927 -11.152) 28.484 16.264 ( -10.701 23.927 -11.152) 28.484 17.071 ( 23.574 -6.441 19.513) 31.273 17.071 ( 23.574 6.441 19.513) 31.273 17.939 ( 1.043 -4.049 -3.420) 5.402 17.939 ( 1.043 4.049 -3.420) 5.402 20.361 ( 0.173 -1.289 -4.032) 4.237 20.361 ( 0.173 1.289 -4.032) 4.237 20.670 ( -7.255 -1.095 -3.144) 7.982 20.670 ( -7.255 1.095 -3.144) 7.982 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 6.763 -3.181 -1.457) 7.614 3.013 ( 6.763 3.181 -1.457) 7.614 3.111 ( -2.019 -3.268 -1.970) 4.317 3.111 ( -2.019 3.268 -1.970) 4.317 3.475 ( -0.577 -5.284 11.273) 12.464 3.475 ( -0.577 5.284 11.273) 12.464 3.555 ( -7.043 -6.538 8.547) 12.861 3.555 ( -7.043 6.538 8.547) 12.861 4.178 ( 19.235 -9.770 -9.893) 23.734 4.178 ( 19.235 9.770 -9.893) 23.734 4.560 ( -16.932 -5.743 -8.147) 19.648 4.560 ( -16.932 5.743 -8.147) 19.648 4.949 ( 1.552 -5.050 -5.202) 7.415 4.949 ( 1.552 5.050 -5.202) 7.415 5.064 ( -11.442 -8.424 -4.597) 14.933 5.064 ( -11.442 8.424 -4.597) 14.933 5.877 ( 9.208 -10.337 -3.075) 14.181 5.877 ( 9.208 10.337 -3.075) 14.181 6.040 ( -6.931 -10.650 -2.914) 13.036 6.040 ( -6.931 10.650 -2.914) 13.036 6.614 ( 13.355 -7.968 -9.759) 18.360 6.614 ( 13.355 7.968 -9.759) 18.360 6.870 ( -11.686 -10.071 -9.058) 17.889 6.870 ( -11.686 10.071 -9.058) 17.889 7.866 ( 5.909 -10.174 10.832) 15.993 7.866 ( 5.909 10.174 10.832) 15.993 7.996 ( -6.932 -9.429 7.016) 13.645 7.996 ( -6.932 9.429 7.016) 13.645 9.178 ( 11.629 -4.990 6.317) 14.144 9.178 ( 11.629 4.990 6.317) 14.144 9.346 ( -5.016 -2.931 7.720) 9.662 9.346 ( -5.016 2.931 7.720) 9.662 9.641 ( 13.404 -14.570 -2.864) 20.004 9.641 ( 13.404 14.570 -2.864) 20.004 9.889 ( -11.477 -10.444 -3.533) 15.915 9.889 ( -11.477 10.444 -3.533) 15.915 11.111 ( 5.695 -3.371 0.456) 6.634 11.111 ( 5.695 3.371 0.456) 6.634 11.219 ( -4.942 -4.213 -2.833) 7.086 11.219 ( -4.942 4.213 -2.833) 7.086 11.875 ( 3.361 -5.549 1.112) 6.582 11.875 ( 3.361 5.549 1.112) 6.582 11.940 ( -3.128 -5.279 -0.385) 6.148 11.940 ( -3.128 5.279 -0.385) 6.148 13.913 ( 3.632 -8.943 5.961) 11.344 13.913 ( 3.632 8.943 5.961) 11.344 13.999 ( -5.221 -7.611 4.210) 10.145 13.999 ( -5.221 7.611 4.210) 10.145 15.902 ( 7.739 -29.501 -3.607) 30.712 15.902 ( 7.739 29.501 -3.607) 30.712 16.069 ( -9.296 -27.428 -7.642) 29.952 16.069 ( -9.296 27.428 -7.642) 29.952 17.511 ( 20.510 -4.481 15.431) 26.055 17.511 ( 20.510 4.481 15.431) 26.055 17.833 ( -11.590 -4.058 7.426) 14.351 17.833 ( -11.590 4.058 7.426) 14.351 20.409 ( 4.619 -0.324 -6.614) 8.073 20.409 ( 4.619 0.324 -6.614) 8.073 20.527 ( -7.054 -0.513 -5.968) 9.254 20.527 ( -7.054 0.513 -5.968) 9.254 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 0.000 23.396) 23.396 2.793 ( 0.000 0.000 26.890) 26.890 2.944 ( 0.000 0.000 -17.051) 17.051 3.272 ( 0.000 0.000 -20.130) 20.130 3.702 ( 0.000 0.000 3.310) 3.310 3.706 ( 0.000 0.000 6.175) 6.175 3.742 ( 0.000 0.000 2.998) 2.998 3.886 ( 0.000 0.000 -6.410) 6.410 3.893 ( 0.000 0.000 -9.642) 9.642 3.951 ( 0.000 0.000 -14.196) 14.196 4.291 ( 0.000 0.000 5.450) 5.450 4.345 ( 0.000 0.000 1.135) 1.135 5.323 ( 0.000 0.000 12.531) 12.531 5.462 ( 0.000 0.000 1.255) 1.255 5.491 ( 0.000 0.000 21.604) 21.604 5.871 ( 0.000 0.000 -16.042) 16.042 5.873 ( 0.000 0.000 7.333) 7.333 6.086 ( 0.000 0.000 27.089) 27.089 6.101 ( 0.000 0.000 -13.185) 13.185 6.477 ( 0.000 0.000 -2.100) 2.100 6.486 ( 0.000 0.000 -2.225) 2.225 6.722 ( 0.000 0.000 -25.111) 25.111 7.059 ( 0.000 0.000 -2.466) 2.466 7.084 ( 0.000 0.000 -4.793) 4.793 7.323 ( 0.000 0.000 -3.506) 3.506 7.367 ( 0.000 0.000 -13.324) 13.324 7.929 ( 0.000 0.000 11.938) 11.938 8.139 ( 0.000 0.000 -8.382) 8.382 8.438 ( 0.000 0.000 14.912) 14.912 8.444 ( 0.000 0.000 10.351) 10.351 8.627 ( 0.000 0.000 -7.737) 7.737 8.675 ( 0.000 0.000 -8.510) 8.510 9.550 ( 0.000 0.000 13.038) 13.038 9.722 ( 0.000 0.000 1.556) 1.556 10.137 ( 0.000 0.000 -2.268) 2.268 10.242 ( 0.000 0.000 -7.289) 7.289 10.706 ( 0.000 0.000 5.199) 5.199 10.802 ( 0.000 0.000 -4.376) 4.376 11.106 ( 0.000 0.000 7.715) 7.715 11.285 ( 0.000 0.000 -10.067) 10.067 11.644 ( 0.000 0.000 17.328) 17.328 11.922 ( 0.000 0.000 -1.005) 1.005 11.958 ( 0.000 0.000 -4.577) 4.577 11.985 ( 0.000 0.000 -15.943) 15.943 13.750 ( 0.000 0.000 17.257) 17.257 14.063 ( 0.000 0.000 -13.277) 13.277 14.604 ( 0.000 0.000 10.906) 10.906 14.788 ( 0.000 0.000 -7.409) 7.409 15.272 ( 0.000 0.000 23.591) 23.591 15.804 ( 0.000 0.000 -28.295) 28.295 15.997 ( 0.000 0.000 28.013) 28.013 16.411 ( 0.000 0.000 25.468) 25.468 16.552 ( 0.000 0.000 -25.828) 25.828 16.898 ( 0.000 0.000 -22.447) 22.447 17.712 ( 0.000 0.000 2.058) 2.058 17.757 ( 0.000 0.000 -2.337) 2.337 20.550 ( 0.000 0.000 6.740) 6.740 20.572 ( 0.000 0.000 3.649) 3.649 20.649 ( 0.000 0.000 -3.890) 3.890 20.650 ( 0.000 0.000 -3.438) 3.438 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 2.047 0.000 20.683) 20.784 2.816 ( 1.994 0.000 26.233) 26.309 2.922 ( -2.334 0.000 -15.642) 15.815 3.283 ( 0.187 0.000 -19.670) 19.671 3.687 ( 0.862 0.000 6.757) 6.812 3.785 ( 4.408 0.000 2.616) 5.126 3.790 ( 4.464 0.000 -2.025) 4.901 3.910 ( 4.135 0.000 -1.851) 4.531 3.975 ( 2.090 0.000 -13.822) 13.979 3.987 ( 8.507 0.000 -8.575) 12.079 4.302 ( 1.738 0.000 6.706) 6.928 4.402 ( 5.289 0.000 -2.840) 6.003 5.097 ( -18.067 0.000 15.570) 23.850 5.377 ( -10.719 0.000 -10.048) 14.692 5.409 ( -6.391 0.000 20.844) 21.801 5.693 ( -9.465 0.000 -4.230) 10.368 5.933 ( 5.482 0.000 11.228) 12.495 6.151 ( 3.845 0.000 -9.090) 9.870 6.193 ( -0.073 0.000 11.512) 11.512 6.373 ( -10.254 0.000 -2.666) 10.595 6.481 ( -0.575 0.000 1.860) 1.946 6.834 ( 10.383 0.000 -18.767) 21.448 6.913 ( -12.607 0.000 -2.151) 12.789 6.950 ( -11.815 0.000 -5.379) 12.982 7.204 ( -5.241 0.000 -4.036) 6.615 7.269 ( -8.468 0.000 -12.413) 15.026 7.923 ( -3.624 0.000 8.729) 9.452 8.102 ( -5.303 0.000 -7.956) 9.562 8.613 ( 15.646 0.000 14.155) 21.098 8.626 ( 16.025 0.000 8.043) 17.930 8.760 ( 13.511 0.000 -4.887) 14.368 8.837 ( 14.312 0.000 -7.978) 16.386 9.438 ( -7.085 0.000 12.769) 14.603 9.692 ( -5.806 0.000 -10.602) 12.088 10.140 ( 4.569 0.000 11.605) 12.472 10.373 ( 7.660 0.000 -10.082) 12.662 10.744 ( 3.801 0.000 5.259) 6.489 10.837 ( 3.448 0.000 -3.980) 5.266 11.123 ( 1.711 0.000 7.091) 7.294 11.292 ( 0.774 0.000 -9.777) 9.808 11.654 ( 1.086 0.000 16.590) 16.625 11.933 ( 1.104 0.000 -0.818) 1.374 11.969 ( 1.105 0.000 -4.363) 4.501 11.980 ( -0.482 0.000 -15.180) 15.187 13.735 ( -1.400 0.000 16.793) 16.852 14.037 ( -2.619 0.000 -12.568) 12.838 14.560 ( -3.949 0.000 8.878) 9.716 14.699 ( -7.954 0.000 -4.973) 9.381 15.066 ( -15.889 0.000 21.903) 27.059 15.567 ( -19.063 0.000 -27.287) 33.286 16.258 ( 21.589 0.000 27.720) 35.135 16.585 ( 16.831 0.000 25.927) 30.911 16.794 ( 19.170 0.000 -24.781) 31.331 17.085 ( 17.548 0.000 -23.334) 29.197 17.718 ( 0.647 0.000 2.095) 2.192 17.765 ( 0.925 0.000 -2.497) 2.663 20.513 ( -3.703 0.000 6.648) 7.610 20.516 ( -5.649 0.000 2.336) 6.113 20.567 ( -8.104 0.000 -2.667) 8.531 20.616 ( -3.423 0.000 -3.788) 5.106 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.997 0.000 13.391) 13.429 2.847 ( -5.471 0.000 -12.513) 13.657 2.855 ( 1.812 0.000 22.173) 22.247 3.249 ( -3.756 0.000 -16.462) 16.885 3.718 ( 1.853 0.000 7.294) 7.526 3.845 ( 2.221 0.000 -5.264) 5.713 3.890 ( 5.145 0.000 1.832) 5.461 4.016 ( 1.866 0.000 -7.818) 8.037 4.065 ( 10.061 0.000 3.320) 10.595 4.179 ( 9.824 0.000 -7.155) 12.153 4.369 ( 4.876 0.000 3.168) 5.815 4.520 ( 5.333 0.000 -10.407) 11.693 4.727 ( -17.752 0.000 15.562) 23.607 5.092 ( -16.769 0.000 -19.148) 25.453 5.349 ( 2.810 0.000 20.972) 21.160 5.607 ( 1.190 0.000 -2.557) 2.821 6.000 ( -15.603 0.000 2.884) 15.868 6.047 ( 5.618 0.000 13.243) 14.385 6.101 ( -15.252 0.000 -1.798) 15.358 6.214 ( 2.066 0.000 -1.716) 2.686 6.504 ( 1.395 0.000 10.081) 10.177 6.652 ( -12.613 0.000 -3.244) 13.024 6.703 ( -12.197 0.000 -7.299) 14.214 6.953 ( -4.118 0.000 -23.702) 24.057 7.130 ( -0.704 0.000 3.021) 3.102 7.252 ( 6.096 0.000 -5.581) 8.265 7.797 ( -6.667 0.000 3.746) 7.647 7.919 ( -12.400 0.000 -7.656) 14.573 8.957 ( 17.947 0.000 12.073) 21.630 8.963 ( 16.352 0.000 6.881) 17.741 9.064 ( 14.790 0.000 -3.150) 15.122 9.142 ( 15.207 0.000 -6.073) 16.375 9.351 ( -1.145 0.000 8.714) 8.789 9.566 ( -5.136 0.000 -11.923) 12.982 10.252 ( 5.496 0.000 13.708) 14.769 10.483 ( 3.597 0.000 -8.727) 9.439 10.841 ( 5.687 0.000 5.282) 7.762 10.922 ( 4.763 0.000 -2.714) 5.482 11.163 ( 1.962 0.000 5.565) 5.900 11.311 ( 0.921 0.000 -9.231) 9.277 11.691 ( 2.824 0.000 14.273) 14.550 11.960 ( 1.577 0.000 -0.335) 1.612 11.969 ( -0.564 0.000 -12.741) 12.753 11.997 ( 1.674 0.000 -4.055) 4.387 13.705 ( -1.334 0.000 15.098) 15.157 13.965 ( -4.499 0.000 -9.848) 10.827 14.475 ( -4.266 0.000 4.777) 6.405 14.531 ( -8.126 0.000 -1.096) 8.199 14.765 ( -13.847 0.000 16.837) 21.800 15.178 ( -19.556 0.000 -23.622) 30.667 16.716 ( 23.765 0.000 24.368) 34.038 17.014 ( 25.557 0.000 25.453) 36.070 17.165 ( 17.038 0.000 -19.488) 25.886 17.501 ( 23.004 0.000 -22.449) 32.143 17.739 ( 1.733 0.000 2.571) 3.101 17.801 ( 3.120 0.000 -3.559) 4.734 20.351 ( -12.257 0.000 0.143) 12.258 20.368 ( -10.102 0.000 -1.424) 10.202 20.414 ( -6.098 0.000 6.061) 8.598 20.521 ( -6.126 0.000 -4.596) 7.658 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -2.325 0.000 4.705) 5.248 2.712 ( -7.958 0.000 -8.913) 11.948 2.890 ( 2.023 0.000 13.466) 13.617 3.150 ( -5.914 0.000 -12.238) 13.592 3.756 ( 2.155 0.000 8.384) 8.657 3.884 ( 0.968 0.000 -2.643) 2.815 3.956 ( 1.863 0.000 6.194) 6.469 4.040 ( 0.193 0.000 0.599) 0.630 4.243 ( 7.053 0.000 3.447) 7.851 4.326 ( 4.718 0.000 -0.261) 4.725 4.468 ( 4.617 0.000 -4.391) 6.372 4.485 ( -5.348 0.000 4.575) 7.038 4.576 ( 0.994 0.000 -12.523) 12.563 4.780 ( -14.117 0.000 -19.481) 24.058 5.518 ( 9.765 0.000 8.617) 13.023 5.692 ( -4.795 0.000 -9.458) 10.604 5.765 ( 5.718 0.000 14.611) 15.690 5.867 ( -5.334 0.000 4.642) 7.071 6.142 ( 3.760 0.000 13.398) 13.916 6.218 ( -1.536 0.000 7.391) 7.549 6.455 ( -7.183 0.000 -6.997) 10.028 6.507 ( -7.208 0.000 -11.034) 13.179 6.516 ( -0.248 0.000 2.777) 2.788 6.751 ( -14.027 0.000 -11.804) 18.333 7.067 ( -6.689 0.000 5.532) 8.680 7.300 ( -6.322 0.000 -14.401) 15.728 7.716 ( -2.848 0.000 2.099) 3.538 7.754 ( 0.575 0.000 -1.913) 1.998 9.210 ( 8.638 0.000 4.375) 9.682 9.270 ( 13.443 0.000 8.886) 16.114 9.273 ( 7.117 0.000 -2.242) 7.462 9.385 ( 2.977 0.000 4.334) 5.258 9.391 ( 9.696 0.000 -2.950) 10.135 9.517 ( -0.436 0.000 -7.949) 7.961 10.354 ( 5.429 0.000 11.567) 12.778 10.529 ( 1.465 0.000 -4.931) 5.144 10.948 ( 4.786 0.000 4.861) 6.821 11.004 ( 3.168 0.000 -0.608) 3.226 11.190 ( 1.003 0.000 2.985) 3.149 11.314 ( -1.000 0.000 -8.771) 8.828 11.766 ( 4.667 0.000 10.225) 11.240 11.958 ( -0.777 0.000 -8.271) 8.307 11.993 ( 1.695 0.000 -0.165) 1.703 12.027 ( 1.174 0.000 -3.693) 3.875 13.692 ( 0.113 0.000 11.877) 11.878 13.869 ( -5.092 0.000 -4.717) 6.941 14.403 ( -3.137 0.000 1.583) 3.514 14.406 ( -4.264 0.000 0.485) 4.291 14.552 ( -7.547 0.000 9.075) 11.803 14.830 ( -15.681 0.000 -17.973) 23.852 17.137 ( 18.116 0.000 16.832) 24.729 17.407 ( 7.244 0.000 -9.815) 12.199 17.525 ( 25.458 0.000 21.690) 33.445 17.796 ( 4.362 0.000 4.193) 6.051 17.892 ( 5.610 0.000 -4.902) 7.450 17.910 ( 17.191 0.000 -15.682) 23.269 20.101 ( -11.883 0.000 0.628) 11.900 20.163 ( -10.651 0.000 -4.977) 11.757 20.294 ( -5.494 0.000 4.070) 6.837 20.388 ( -7.056 0.000 -5.048) 8.676 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -1.069 0.000 -1.559) 1.891 2.573 ( -5.165 0.000 -5.411) 7.480 2.944 ( 3.615 0.000 2.670) 4.494 3.034 ( -5.554 0.000 -6.414) 8.484 3.806 ( 2.962 0.000 6.590) 7.225 3.865 ( -2.617 0.000 1.948) 3.262 3.985 ( 1.504 0.000 10.369) 10.477 4.020 ( -1.845 0.000 8.499) 8.696 4.340 ( 4.242 0.000 4.151) 5.935 4.386 ( 0.976 0.000 0.590) 1.141 4.476 ( 1.920 0.000 -6.873) 7.136 4.540 ( 2.890 0.000 -11.493) 11.851 4.562 ( -7.884 0.000 -12.072) 14.418 4.579 ( -0.887 0.000 -13.656) 13.685 5.543 ( -1.260 0.000 2.617) 2.904 5.577 ( -4.208 0.000 -0.870) 4.297 5.993 ( 13.100 0.000 9.767) 16.340 6.047 ( 13.343 0.000 9.641) 16.462 6.177 ( -0.021 0.000 12.239) 12.239 6.182 ( -1.281 0.000 10.490) 10.568 6.383 ( -0.176 0.000 -9.337) 9.338 6.416 ( -2.904 0.000 -11.053) 11.428 6.452 ( -9.595 0.000 -5.688) 11.154 6.476 ( -8.783 0.000 -2.291) 9.077 6.961 ( -1.413 0.000 -2.668) 3.019 7.069 ( -11.780 0.000 -12.208) 16.965 7.749 ( 3.030 0.000 2.915) 4.205 7.778 ( 0.307 0.000 -0.075) 0.316 9.331 ( 4.707 0.000 2.859) 5.507 9.390 ( 2.558 0.000 -1.206) 2.828 9.407 ( 1.642 0.000 1.171) 2.017 9.465 ( 6.207 0.000 4.998) 7.969 9.492 ( -3.111 0.000 -5.065) 5.944 9.506 ( 1.975 0.000 0.897) 2.169 10.464 ( 5.281 0.000 8.010) 9.594 10.534 ( -1.478 0.000 1.795) 2.325 11.018 ( 2.351 0.000 3.652) 4.343 11.038 ( 0.338 0.000 1.725) 1.758 11.217 ( 2.113 0.000 -2.125) 2.996 11.272 ( -3.008 0.000 -6.928) 7.553 11.860 ( 4.552 0.000 4.637) 6.498 11.929 ( -2.391 0.000 -1.981) 3.105 12.023 ( 1.282 0.000 -1.132) 1.710 12.038 ( -0.127 0.000 -2.653) 2.656 13.714 ( 2.187 0.000 7.247) 7.570 13.777 ( -4.158 0.000 1.506) 4.422 14.356 ( -0.921 0.000 0.401) 1.005 14.361 ( -1.329 0.000 0.147) 1.337 14.484 ( 0.796 0.000 -0.542) 0.963 14.583 ( -9.193 0.000 -10.142) 13.688 17.390 ( 7.800 0.000 6.107) 9.906 17.466 ( -0.543 0.000 -1.768) 1.849 17.905 ( 5.816 0.000 4.946) 7.635 17.950 ( 16.385 0.000 12.886) 20.845 17.966 ( 0.583 0.000 -0.427) 0.723 18.105 ( 1.362 0.000 -1.877) 2.319 19.940 ( -3.396 0.000 -2.867) 4.444 19.981 ( -6.904 0.000 -6.400) 9.414 20.226 ( -0.871 0.000 0.120) 0.879 20.267 ( -4.718 0.000 -3.706) 6.000 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 0.000 0.326 18.638) 18.641 2.843 ( 0.000 2.470 1.786) 3.048 2.944 ( 0.000 2.790 6.417) 6.997 3.380 ( 0.000 8.225 -20.622) 22.202 3.465 ( 0.000 -13.418 10.439) 17.000 3.619 ( 0.000 -6.198 5.425) 8.237 3.745 ( 0.000 -1.400 -6.476) 6.626 3.746 ( 0.000 -10.726 -14.940) 18.391 4.103 ( 0.000 10.402 -1.352) 10.490 4.114 ( 0.000 11.246 -3.216) 11.696 4.299 ( 0.000 3.664 1.427) 3.932 4.310 ( 0.000 -2.880 2.143) 3.590 5.367 ( 0.000 -6.667 15.158) 16.559 5.445 ( 0.000 5.178 17.857) 18.592 5.592 ( 0.000 7.350 -1.932) 7.600 5.719 ( 0.000 -8.776 -8.750) 12.393 5.908 ( 0.000 -0.207 0.673) 0.704 6.059 ( 0.000 -1.933 -8.143) 8.369 6.177 ( 0.000 8.583 25.580) 26.981 6.211 ( 0.000 -12.884 2.783) 13.181 6.356 ( 0.000 -5.944 -12.117) 13.496 6.763 ( 0.000 4.196 -22.962) 23.343 7.263 ( 0.000 -1.061 -1.235) 1.628 7.348 ( 0.000 1.858 -13.730) 13.855 7.440 ( 0.000 20.634 -2.199) 20.751 7.459 ( 0.000 22.033 -2.595) 22.185 7.822 ( 0.000 -11.467 13.711) 17.875 8.059 ( 0.000 -8.354 -9.329) 12.523 8.218 ( 0.000 -6.797 8.165) 10.623 8.379 ( 0.000 -11.923 -7.444) 14.056 8.629 ( 0.000 5.708 12.529) 13.768 8.822 ( 0.000 3.660 -6.816) 7.736 9.538 ( 0.000 -0.623 13.347) 13.361 9.703 ( 0.000 -1.622 2.895) 3.318 10.117 ( 0.000 -1.343 -3.409) 3.664 10.219 ( 0.000 -1.916 -7.844) 8.074 10.781 ( 0.000 6.082 5.154) 7.972 10.877 ( 0.000 5.833 -4.243) 7.213 11.103 ( 0.000 0.217 6.948) 6.951 11.269 ( 0.000 -1.161 -9.038) 9.113 11.668 ( 0.000 1.995 14.666) 14.801 11.878 ( 0.000 -3.085 -2.572) 4.016 11.937 ( 0.000 -1.784 -4.111) 4.481 11.993 ( 0.000 -0.222 -12.534) 12.536 13.783 ( 0.000 3.216 16.396) 16.708 14.077 ( 0.000 1.407 -12.282) 12.362 14.534 ( 0.000 -6.197 10.658) 12.329 14.710 ( 0.000 -6.828 -6.730) 9.587 15.409 ( 0.000 12.488 22.043) 25.335 15.908 ( 0.000 9.581 -26.501) 28.180 16.017 ( 0.000 1.788 27.402) 27.461 16.376 ( 0.000 -2.718 21.768) 21.937 16.585 ( 0.000 2.527 -21.802) 21.947 16.884 ( 0.000 -1.334 -22.355) 22.394 17.510 ( 0.000 -17.962 3.176) 18.241 17.584 ( 0.000 -15.211 -4.137) 15.763 20.481 ( 0.000 -1.250 4.806) 4.966 20.560 ( 0.000 -2.294 -3.124) 3.876 20.731 ( 0.000 8.857 4.453) 9.913 20.806 ( 0.000 7.716 -2.970) 8.268 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 3.684 1.117 16.629) 17.069 2.845 ( 0.263 1.998 3.649) 4.169 2.940 ( -0.167 2.510 3.742) 4.509 3.317 ( -4.186 0.090 -16.451) 16.975 3.485 ( 0.438 -10.000 8.664) 13.239 3.682 ( 5.708 -3.328 7.344) 9.879 3.757 ( 0.631 -9.863 -15.502) 18.385 3.872 ( 10.329 1.428 -10.078) 14.501 4.138 ( 3.754 6.729 1.426) 7.836 4.160 ( 3.870 7.853 -2.045) 8.991 4.272 ( -0.457 -0.513 5.764) 5.805 4.375 ( 5.091 3.069 -4.924) 7.719 5.175 ( -15.965 1.220 13.839) 21.164 5.346 ( -8.290 1.715 11.406) 14.205 5.518 ( -7.907 4.507 -7.080) 11.531 5.611 ( -7.663 -4.863 -4.449) 10.108 5.923 ( 1.253 -2.461 9.908) 10.285 6.009 ( -9.770 -10.725 8.860) 16.999 6.105 ( 0.929 -5.003 -6.601) 8.335 6.278 ( -5.426 -2.982 -13.430) 14.789 6.420 ( 10.489 4.173 16.095) 19.659 6.830 ( 2.356 1.121 -10.880) 11.189 7.023 ( -16.541 -0.746 -2.669) 16.772 7.176 ( -10.583 6.698 -19.905) 23.517 7.396 ( -4.347 17.503 -0.683) 18.047 7.431 ( -2.834 19.312 -2.276) 19.651 7.869 ( -0.131 -5.258 8.780) 10.235 8.042 ( -1.624 -4.683 -7.138) 8.690 8.411 ( 15.123 -8.282 6.508) 18.429 8.545 ( 15.813 -12.156 -5.941) 20.812 8.777 ( 13.616 3.865 10.397) 17.563 8.931 ( 10.634 1.296 -4.950) 11.801 9.452 ( -5.364 1.927 13.714) 14.851 9.710 ( -2.251 1.794 -8.990) 9.439 10.096 ( 2.164 -3.448 9.987) 10.785 10.326 ( 6.215 -4.082 -10.390) 12.776 10.812 ( 3.001 5.371 5.095) 7.989 10.903 ( 2.534 5.033 -3.809) 6.802 11.120 ( 1.583 0.109 6.379) 6.573 11.276 ( 0.762 -1.171 -8.800) 8.911 11.679 ( 1.170 2.057 13.826) 14.027 11.885 ( 0.674 -3.213 -3.084) 4.505 11.944 ( 0.600 -1.766 -3.717) 4.158 11.998 ( 0.487 -0.004 -11.140) 11.151 13.770 ( -1.268 3.336 15.880) 16.276 14.052 ( -2.566 1.439 -11.524) 11.894 14.494 ( -3.557 -5.781 8.764) 11.085 14.631 ( -7.159 -5.924 -4.702) 10.414 15.204 ( -15.261 12.489 20.478) 28.429 15.672 ( -18.446 9.642 -25.523) 32.934 16.276 ( 20.784 1.446 26.903) 34.028 16.550 ( 16.242 -2.825 23.834) 28.980 16.810 ( 17.475 0.733 -22.342) 28.374 17.050 ( 15.603 -3.158 -22.215) 27.330 17.522 ( 1.427 -17.141 3.248) 17.504 17.605 ( 2.442 -13.529 -4.947) 14.611 20.440 ( -4.102 -1.007 4.123) 5.903 20.507 ( -5.358 -1.706 -2.715) 6.244 20.683 ( -4.755 8.930 3.823) 10.815 20.750 ( -5.419 7.812 -2.696) 9.883 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 4.588 4.363 11.252) 12.911 2.853 ( 0.383 2.056 1.805) 2.763 2.943 ( 0.297 5.522 3.497) 6.543 3.236 ( -4.651 -1.048 -13.606) 14.417 3.487 ( 0.670 -14.627 9.108) 17.244 3.733 ( -1.567 -5.925 -9.876) 11.623 3.798 ( 3.940 -6.527 6.348) 9.921 4.048 ( 5.406 4.539 -10.128) 12.345 4.213 ( 2.963 -7.293 1.266) 7.973 4.236 ( 3.444 -2.864 -0.144) 4.481 4.318 ( 5.337 5.120 6.545) 9.876 4.494 ( 5.916 9.578 -7.549) 13.555 4.860 ( -14.359 6.312 8.392) 17.789 5.123 ( -13.800 3.154 -12.213) 18.696 5.439 ( 2.431 3.708 6.066) 7.514 5.526 ( -0.069 -6.589 0.930) 6.654 5.763 ( -12.757 -12.291 7.488) 19.232 5.849 ( -10.777 -8.896 1.345) 14.039 6.108 ( 1.362 -1.781 -1.252) 2.568 6.209 ( -2.753 -3.673 -7.759) 9.015 6.546 ( 1.086 8.131 19.928) 21.551 6.676 ( -12.615 -2.535 1.313) 12.934 6.755 ( -10.454 1.445 -6.066) 12.173 7.070 ( -3.741 7.772 -26.638) 28.000 7.381 ( 2.426 20.334 4.667) 21.003 7.456 ( 5.421 15.179 -2.240) 16.273 7.781 ( -6.162 -0.214 3.568) 7.124 7.914 ( -11.050 1.373 -8.544) 14.035 8.764 ( 19.359 -9.598 7.897) 23.005 8.899 ( 18.219 -10.736 -5.050) 21.742 9.063 ( 13.522 0.250 7.206) 15.325 9.168 ( 11.591 -1.709 -3.280) 12.167 9.393 ( -0.072 4.801 11.705) 12.652 9.644 ( -2.841 6.863 -12.219) 14.300 10.176 ( 4.526 -6.720 13.787) 15.991 10.409 ( 2.314 -6.375 -8.855) 11.154 10.889 ( 4.637 3.781 4.973) 7.780 10.969 ( 3.947 3.542 -2.833) 6.012 11.154 ( 1.589 -0.455 5.064) 5.326 11.292 ( 0.583 -1.504 -8.362) 8.516 11.716 ( 2.746 2.047 11.617) 12.111 11.902 ( 1.004 -3.249 -4.361) 5.530 11.957 ( 0.657 -1.583 -2.022) 2.651 12.013 ( 0.951 0.025 -8.250) 8.305 13.743 ( -1.196 3.574 14.156) 14.649 13.983 ( -4.237 1.707 -8.881) 9.987 14.416 ( -4.035 -5.176 4.846) 8.159 14.476 ( -7.689 -4.630 -1.333) 9.074 14.923 ( -12.541 14.271 15.554) 24.554 15.305 ( -18.117 11.623 -21.861) 30.680 16.704 ( 21.548 -2.462 22.741) 31.425 16.954 ( 23.453 -4.793 21.850) 32.410 17.126 ( 13.007 -6.670 -14.603) 20.662 17.400 ( 17.225 -8.151 -16.395) 25.138 17.582 ( 5.836 -12.466 2.177) 13.936 17.706 ( 8.810 -6.385 -9.114) 14.193 20.331 ( -6.654 0.088 1.851) 6.907 20.359 ( -9.342 0.869 -1.249) 9.465 20.555 ( -8.090 8.856 2.492) 12.251 20.614 ( -8.104 7.070 -3.063) 11.182 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 1.625 10.262 4.632) 11.376 2.841 ( -2.458 9.113 -6.501) 11.461 2.943 ( 0.016 5.948 7.790) 9.801 3.128 ( -5.773 -0.888 -8.766) 10.534 3.538 ( 4.512 -16.706 8.770) 19.400 3.724 ( 1.143 -6.637 -3.187) 7.450 3.841 ( 1.199 -10.450 6.042) 12.131 4.083 ( -0.618 1.586 -4.251) 4.579 4.227 ( -1.070 -8.634 2.317) 9.003 4.299 ( 3.444 -10.453 -3.707) 11.613 4.430 ( 4.167 4.851 3.858) 7.468 4.532 ( -3.396 9.622 3.858) 10.909 4.680 ( -3.137 6.857 -8.454) 11.328 4.863 ( -12.164 5.015 -19.134) 23.221 5.491 ( -4.770 -13.935 4.711) 15.464 5.552 ( -6.018 -15.402 -0.967) 16.564 5.615 ( 5.740 -1.268 9.661) 11.309 5.716 ( 5.193 1.457 0.325) 5.404 6.108 ( -4.359 -3.884 -0.329) 5.847 6.138 ( -2.945 -8.174 -2.381) 9.008 6.477 ( -2.210 7.637 8.235) 11.446 6.501 ( -5.233 -0.160 -1.592) 5.473 6.669 ( -0.638 6.329 2.963) 7.018 6.975 ( -5.768 10.059 -17.413) 20.921 7.342 ( -6.791 22.493 8.406) 24.954 7.534 ( -5.364 20.165 -10.079) 23.173 7.689 ( -1.676 -1.051 3.636) 4.139 7.763 ( 1.503 2.401 -4.130) 5.008 9.105 ( 14.406 -6.693 5.714) 16.881 9.199 ( 11.767 -6.844 -3.371) 14.024 9.276 ( 8.926 -1.872 4.037) 9.974 9.341 ( 6.416 -2.343 -2.505) 7.275 9.438 ( 3.025 4.493 8.887) 10.408 9.614 ( -1.009 6.643 -7.977) 10.430 10.261 ( 4.429 -8.606 10.943) 14.609 10.428 ( -0.081 -8.829 -4.971) 10.133 10.980 ( 4.372 2.571 4.638) 6.873 11.041 ( 2.976 2.705 -1.138) 4.179 11.177 ( 0.873 -1.001 2.622) 2.939 11.287 ( -1.267 -2.154 -7.960) 8.343 11.784 ( 3.984 1.420 8.676) 9.652 11.920 ( 0.531 -2.420 -4.017) 4.720 11.971 ( 1.010 -1.861 -0.157) 2.124 12.028 ( 0.387 -0.528 -6.083) 6.118 13.731 ( 0.152 3.718 11.127) 11.733 13.895 ( -4.633 2.376 -4.143) 6.654 14.344 ( -3.397 -4.886 1.781) 6.212 14.355 ( -4.329 -4.194 -0.005) 6.027 14.736 ( -6.305 16.323 8.338) 19.383 14.988 ( -13.963 14.354 -16.295) 25.817 17.062 ( 13.818 -10.492 13.334) 21.882 17.266 ( 4.051 -16.542 -7.001) 18.414 17.424 ( 20.993 -7.201 17.970) 28.557 17.653 ( 11.484 -8.361 2.390) 14.405 17.775 ( 10.898 -4.496 -3.443) 12.281 17.935 ( 12.113 -1.385 -11.244) 16.585 20.172 ( -8.624 5.338 -0.340) 10.148 20.200 ( -6.392 3.086 -2.305) 7.463 20.387 ( -8.355 7.574 1.454) 11.370 20.449 ( -8.380 5.299 -4.144) 10.746 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 0.201 15.221 -0.645) 15.236 2.763 ( -3.999 15.702 -4.600) 16.844 2.969 ( 2.539 1.956 1.349) 3.477 3.032 ( -3.953 -0.160 -4.907) 6.303 3.640 ( 5.269 -13.016 11.195) 17.959 3.721 ( -2.502 -7.517 10.138) 12.867 3.906 ( 5.582 -7.963 -3.478) 10.328 4.022 ( -5.536 -0.979 -6.807) 8.829 4.251 ( 5.031 -9.009 8.542) 13.395 4.371 ( -1.522 -7.723 -0.448) 7.884 4.406 ( 0.772 -1.367 0.218) 1.585 4.493 ( -2.288 1.784 -2.108) 3.586 4.645 ( -1.482 5.032 -12.065) 13.156 4.669 ( -6.068 3.662 -16.548) 18.002 5.402 ( -1.922 -13.481 3.864) 14.155 5.427 ( -4.356 -13.823 1.562) 14.577 5.779 ( 9.434 -8.445 6.450) 14.210 5.902 ( 9.215 -2.874 -3.274) 10.193 5.962 ( -8.865 -10.161 4.326) 14.161 6.056 ( -6.390 -2.737 -3.754) 7.900 6.492 ( 4.130 4.822 3.608) 7.302 6.537 ( 3.662 12.872 6.430) 14.847 6.670 ( 2.804 2.993 -6.024) 7.288 6.831 ( -9.384 8.902 -11.723) 17.456 7.230 ( -2.103 25.005 3.844) 25.386 7.310 ( -10.255 22.759 -3.612) 25.223 7.762 ( 3.975 3.075 1.849) 5.355 7.799 ( 0.379 3.557 -1.648) 3.939 9.308 ( 7.027 -2.156 3.382) 8.091 9.367 ( 4.243 -2.343 -1.852) 5.189 9.401 ( 2.958 -0.597 1.104) 3.213 9.427 ( 1.426 -2.010 -0.112) 2.467 9.482 ( 3.458 0.997 5.170) 6.300 9.569 ( -3.961 3.051 -3.187) 5.929 10.348 ( 4.207 -10.636 6.479) 13.145 10.410 ( -1.927 -11.016 0.792) 11.211 11.049 ( 2.518 2.365 3.492) 4.912 11.073 ( 0.208 2.548 1.325) 2.879 11.200 ( 1.793 -1.416 -1.890) 2.965 11.246 ( -2.616 -2.119 -6.195) 7.051 11.860 ( 3.519 0.037 5.090) 6.188 11.911 ( -1.536 -1.243 0.507) 2.040 11.998 ( 1.558 -2.031 -1.919) 3.200 12.023 ( -0.839 -1.320 -4.184) 4.467 13.753 ( 2.059 3.633 6.896) 8.062 13.811 ( -3.780 3.165 1.609) 5.186 14.295 ( -1.112 -4.504 0.248) 4.646 14.301 ( -1.581 -4.602 -0.235) 4.872 14.684 ( 0.980 17.327 -0.234) 17.357 14.772 ( -7.944 16.630 -8.841) 20.441 17.236 ( 4.944 -17.724 3.589) 18.747 17.289 ( -0.861 -19.223 -1.852) 19.331 17.750 ( 11.520 -6.991 9.168) 16.298 17.848 ( 3.004 -5.417 0.108) 6.195 17.956 ( 9.856 -2.157 8.939) 13.479 18.073 ( 0.439 -2.977 -1.365) 3.304 20.062 ( -1.864 9.433 -2.684) 9.983 20.095 ( -4.253 8.694 -5.419) 11.092 20.271 ( -2.324 3.977 -0.192) 4.610 20.307 ( -5.392 3.532 -3.597) 7.381 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 0.000 5.680 11.052) 12.426 2.837 ( 0.000 -1.412 -14.582) 14.651 3.135 ( 0.000 10.700 19.740) 22.453 3.205 ( 0.000 -7.238 10.699) 12.917 3.380 ( 0.000 -13.672 -4.434) 14.374 3.538 ( 0.000 4.271 -17.957) 18.458 3.613 ( 0.000 -2.637 -1.381) 2.977 3.699 ( 0.000 -2.930 -6.457) 7.091 4.190 ( 0.000 1.240 4.556) 4.722 4.237 ( 0.000 -2.940 4.467) 5.347 4.329 ( 0.000 6.948 -0.096) 6.949 4.465 ( 0.000 5.817 -9.547) 11.179 5.201 ( 0.000 -2.860 8.430) 8.902 5.390 ( 0.000 -11.499 -9.121) 14.677 5.619 ( 0.000 7.338 14.661) 16.395 5.793 ( 0.000 -0.840 -2.861) 2.982 5.891 ( 0.000 2.235 9.368) 9.631 6.005 ( 0.000 -3.092 -1.713) 3.535 6.126 ( 0.000 4.052 -1.070) 4.191 6.279 ( 0.000 -1.556 -15.560) 15.637 6.475 ( 0.000 17.952 20.360) 27.144 6.889 ( 0.000 7.208 -13.196) 15.036 7.177 ( 0.000 -5.726 1.612) 5.948 7.317 ( 0.000 -7.298 -11.210) 13.376 7.463 ( 0.000 -13.610 9.803) 16.773 7.784 ( 0.000 -15.534 -15.534) 21.968 7.847 ( 0.000 11.920 2.952) 12.280 7.911 ( 0.000 15.496 -2.883) 15.762 8.225 ( 0.000 -0.978 -0.193) 0.997 8.228 ( 0.000 7.762 -0.609) 7.786 8.664 ( 0.000 -2.382 8.876) 9.191 8.797 ( 0.000 -5.805 -4.787) 7.524 9.548 ( 0.000 1.831 13.750) 13.872 9.662 ( 0.000 -2.205 7.331) 7.655 10.102 ( 0.000 0.172 -6.516) 6.519 10.172 ( 0.000 -2.346 -8.781) 9.089 10.905 ( 0.000 4.623 4.608) 6.527 10.968 ( 0.000 1.574 -0.307) 1.604 11.149 ( 0.000 4.385 1.429) 4.612 11.253 ( 0.000 -0.246 -7.303) 7.307 11.719 ( 0.000 2.699 9.388) 9.768 11.816 ( 0.000 -2.510 -0.602) 2.581 11.896 ( 0.000 -1.608 -3.696) 4.030 11.960 ( 0.000 -2.871 -9.074) 9.517 13.888 ( 0.000 6.588 13.799) 15.291 14.114 ( 0.000 1.206 -7.419) 7.516 14.379 ( 0.000 -6.698 8.258) 10.632 14.532 ( 0.000 -9.146 -5.744) 10.800 15.765 ( 0.000 19.857 18.635) 27.231 16.065 ( 0.000 2.414 25.584) 25.698 16.187 ( 0.000 16.017 -21.263) 26.620 16.323 ( 0.000 -1.422 21.114) 21.162 16.635 ( 0.000 1.487 -20.692) 20.746 16.841 ( 0.000 -3.475 -21.200) 21.483 17.033 ( 0.000 -24.232 5.384) 24.823 17.189 ( 0.000 -20.150 -9.430) 22.247 20.489 ( 0.000 1.371 3.140) 3.426 20.535 ( 0.000 -0.562 -1.568) 1.666 20.898 ( 0.000 6.265 3.044) 6.965 20.941 ( 0.000 4.385 -1.110) 4.523 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 3.741 4.537 10.157) 11.736 2.851 ( 1.785 -2.330 -13.118) 13.442 3.057 ( -4.634 7.391 14.688) 17.084 3.182 ( -1.235 -6.345 3.641) 7.419 3.446 ( -1.795 0.187 -2.918) 3.431 3.553 ( 3.505 -5.943 -15.450) 16.921 3.639 ( 4.983 -1.731 7.141) 8.878 3.817 ( 8.634 -7.108 -7.198) 13.299 4.168 ( -5.403 -2.306 4.345) 7.306 4.181 ( -1.575 1.121 4.160) 4.587 4.377 ( 4.941 6.317 2.209) 8.318 4.550 ( 7.410 5.258 -10.843) 14.147 5.125 ( -6.522 0.698 7.587) 10.029 5.320 ( -6.421 -7.868 -9.623) 13.991 5.514 ( -8.221 5.607 11.559) 15.252 5.632 ( -13.369 -2.635 -0.067) 13.626 5.877 ( -3.480 2.202 6.145) 7.397 5.975 ( -5.392 2.683 -3.225) 6.831 6.037 ( -3.065 -0.322 0.766) 3.176 6.226 ( -5.742 -2.941 -14.072) 15.480 6.620 ( 9.419 12.603 18.165) 24.031 6.863 ( -5.731 2.477 -0.315) 6.251 6.944 ( -15.862 -5.639 1.721) 16.923 7.233 ( -3.822 -0.214 -20.543) 20.896 7.593 ( 6.497 -8.064 3.705) 10.999 7.687 ( -4.838 2.127 -2.009) 5.654 7.900 ( 1.450 11.817 2.101) 12.089 8.027 ( 10.210 4.350 -9.681) 14.727 8.345 ( 9.418 4.149 0.077) 10.291 8.356 ( 11.989 -2.028 -0.949) 12.197 8.754 ( 9.012 -6.151 6.946) 12.935 8.851 ( 6.841 -8.576 -2.884) 11.343 9.537 ( -0.123 5.901 15.126) 16.237 9.742 ( 5.764 -0.201 1.406) 5.936 10.043 ( -3.588 -0.242 0.441) 3.624 10.220 ( 2.552 -5.591 -10.818) 12.442 10.921 ( 1.624 4.139 4.452) 6.292 10.982 ( 1.407 1.397 -0.393) 2.021 11.156 ( 0.623 3.585 1.522) 3.944 11.257 ( 0.340 -0.636 -7.124) 7.161 11.730 ( 1.158 2.667 8.485) 8.969 11.824 ( 0.811 -2.300 -0.865) 2.588 11.905 ( 0.883 -1.434 -2.979) 3.421 11.967 ( 0.702 -2.749 -8.237) 8.712 13.876 ( -1.064 6.633 13.182) 14.795 14.090 ( -2.316 1.448 -6.887) 7.409 14.349 ( -2.867 -6.508 7.034) 10.002 14.475 ( -5.263 -8.064 -4.577) 10.662 15.560 ( -13.264 20.136 17.613) 29.860 15.945 ( -15.905 14.688 -19.306) 29.008 16.284 ( 12.616 -2.012 22.106) 25.532 16.510 ( 16.540 0.925 21.030) 26.771 16.739 ( 4.120 -10.201 -16.339) 19.697 16.961 ( 11.577 -8.530 -12.050) 18.761 17.118 ( 10.415 -13.430 -1.047) 17.027 17.302 ( 11.233 -12.503 -13.380) 21.483 20.452 ( -3.633 1.491 2.703) 4.767 20.493 ( -4.187 -0.182 -1.491) 4.448 20.852 ( -4.609 6.319 2.559) 8.229 20.889 ( -5.074 4.666 -1.068) 6.976 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 7.036 2.989 8.192) 11.204 2.912 ( 3.921 -0.374 -8.971) 9.797 3.010 ( 0.301 2.066 8.948) 9.188 3.169 ( -0.274 -2.192 -3.780) 4.378 3.366 ( -4.318 2.190 1.287) 5.009 3.549 ( -2.101 -7.215 -14.078) 15.958 3.775 ( 4.770 -0.904 12.025) 12.968 3.941 ( 3.039 -13.092 -2.988) 13.768 4.037 ( -6.365 -4.858 8.340) 11.561 4.175 ( 0.471 1.995 -1.797) 2.726 4.481 ( 4.193 4.330 3.385) 6.913 4.692 ( 5.027 2.283 -12.351) 13.529 4.983 ( -7.830 8.007 6.202) 12.802 5.172 ( -8.185 3.096 -9.664) 13.037 5.374 ( -11.392 -6.527 1.975) 13.277 5.395 ( -3.638 -1.986 1.388) 4.371 5.729 ( -9.313 4.580 3.830) 11.062 5.842 ( -6.443 5.066 -6.213) 10.285 6.036 ( 1.244 -5.030 0.486) 5.204 6.100 ( -4.955 -5.337 -4.974) 8.819 6.585 ( -11.511 -3.888 3.872) 12.752 6.647 ( -12.316 -3.706 5.103) 13.837 6.830 ( 1.824 9.587 7.890) 12.549 7.172 ( -4.273 -0.556 -16.551) 17.103 7.667 ( 3.252 6.031 2.772) 7.392 7.743 ( 8.887 8.245 -6.410) 13.713 7.895 ( -2.725 12.891 8.445) 15.650 8.073 ( -4.103 10.089 -8.424) 13.769 8.627 ( 18.682 -0.714 1.564) 18.761 8.679 ( 19.271 -7.622 -3.067) 20.949 8.962 ( 11.361 -9.151 6.020) 15.781 9.058 ( 12.420 -8.392 -3.520) 15.396 9.549 ( 1.010 9.088 14.713) 17.323 9.813 ( 0.491 7.560 -9.336) 12.023 10.003 ( -0.180 -8.135 11.703) 14.253 10.241 ( -0.604 -9.006 -9.802) 13.324 10.967 ( 2.991 3.065 4.196) 5.996 11.023 ( 2.697 0.805 -0.443) 2.849 11.168 ( 0.393 2.063 1.363) 2.503 11.260 ( -0.291 -1.529 -6.755) 6.932 11.764 ( 2.246 2.307 6.706) 7.439 11.847 ( 1.508 -1.866 -1.434) 2.795 11.925 ( 0.936 -0.975 -1.159) 1.780 11.984 ( 0.924 -2.502 -6.460) 6.989 13.854 ( -1.012 6.693 11.396) 13.255 14.032 ( -3.393 2.379 -5.420) 6.822 14.281 ( -3.727 -6.563 4.699) 8.891 14.355 ( -6.383 -6.383 -2.288) 9.312 15.337 ( -9.192 24.002 12.980) 28.794 15.645 ( -14.062 19.790 -17.267) 29.792 16.486 ( 7.807 -19.370 14.543) 25.449 16.737 ( 0.721 -23.147 -9.535) 25.044 16.942 ( 21.771 0.640 20.695) 30.045 17.206 ( 14.564 -10.415 7.143) 19.277 17.431 ( 18.332 0.193 -12.296) 22.075 17.586 ( 16.343 -5.047 -15.661) 23.191 20.360 ( -5.264 1.964 1.364) 5.782 20.385 ( -6.341 1.147 -1.280) 6.570 20.725 ( -8.148 6.412 1.263) 10.445 20.753 ( -8.547 5.076 -1.413) 10.041 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 6.063 3.112 4.950) 8.423 2.962 ( 1.320 3.925 -2.058) 4.624 3.063 ( 2.776 -3.507 -0.095) 4.473 3.146 ( -2.534 -0.793 -5.915) 6.483 3.338 ( 2.465 5.307 6.913) 9.057 3.556 ( 5.456 -3.440 -12.994) 14.507 3.780 ( -3.793 2.767 17.839) 18.447 3.951 ( -1.063 -11.896 5.843) 13.296 3.982 ( 2.118 -12.855 -1.443) 13.108 4.166 ( -1.655 -0.988 -4.736) 5.113 4.487 ( -4.981 -1.467 -0.018) 5.193 4.678 ( -6.356 -1.199 -6.670) 9.291 4.830 ( -6.961 8.783 0.083) 11.208 4.987 ( -11.410 9.039 -11.865) 18.780 5.194 ( -7.098 -10.730 4.278) 13.558 5.306 ( -7.451 -5.710 -6.713) 11.540 5.636 ( 1.392 3.078 4.865) 5.923 5.769 ( 0.458 -1.299 -6.785) 6.923 6.028 ( -0.740 3.008 7.604) 8.211 6.130 ( 4.225 0.736 -3.646) 5.629 6.423 ( -4.117 -5.495 -0.376) 6.876 6.471 ( -2.331 -6.444 -1.472) 7.009 6.809 ( -4.232 5.550 7.267) 10.076 7.050 ( -8.248 -3.068 -13.016) 15.712 7.750 ( 2.978 9.745 8.850) 13.497 7.835 ( -1.694 18.366 7.074) 19.754 7.902 ( 5.908 10.013 -6.325) 13.235 7.967 ( -4.899 15.743 -5.692) 17.443 8.992 ( 17.155 -2.704 2.359) 17.526 9.039 ( 16.625 -6.343 -1.969) 17.903 9.193 ( 12.179 -5.519 4.301) 14.046 9.279 ( 9.663 -4.195 -4.094) 11.302 9.555 ( -1.069 6.633 11.957) 13.716 9.768 ( -4.614 7.923 -8.819) 12.721 10.015 ( 0.852 -13.695 10.793) 17.457 10.197 ( -3.734 -12.049 -6.651) 14.261 11.033 ( 3.481 2.022 3.693) 5.463 11.078 ( 2.702 0.253 -0.199) 2.722 11.170 ( -0.106 0.818 0.381) 0.908 11.240 ( -1.740 -2.081 -6.089) 6.665 11.814 ( 2.777 1.458 5.351) 6.203 11.883 ( 2.019 -1.172 -1.491) 2.770 11.937 ( 0.256 -0.864 0.549) 1.055 11.996 ( 0.123 -2.281 -4.874) 5.383 13.844 ( 0.145 6.678 8.718) 10.983 13.965 ( -3.342 4.012 -2.705) 5.881 14.213 ( -2.998 -6.934 2.867) 8.080 14.246 ( -4.460 -5.805 -0.785) 7.363 15.208 ( -3.890 27.596 6.841) 28.696 15.408 ( -10.123 24.750 -12.715) 29.609 16.593 ( 3.667 -30.664 6.565) 31.573 16.722 ( -1.527 -31.433 -6.257) 32.086 17.372 ( 20.677 1.552 17.454) 27.103 17.530 ( 17.397 -4.614 9.942) 20.562 17.744 ( 12.283 1.051 -6.291) 13.840 17.875 ( 11.649 -3.704 -10.825) 16.328 20.270 ( -3.396 3.202 -0.913) 4.756 20.273 ( -4.066 3.380 -1.411) 5.472 20.547 ( -9.662 6.314 -0.404) 11.549 20.570 ( -9.777 4.966 -2.488) 11.244 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 4.243 3.066 0.655) 5.275 2.990 ( 1.833 0.441 -1.707) 2.544 3.057 ( -2.411 4.089 -2.535) 5.381 3.072 ( -4.297 5.276 -3.457) 7.633 3.465 ( 9.114 1.411 13.570) 16.407 3.638 ( -7.291 3.370 14.097) 16.225 3.789 ( 12.818 -0.846 -9.925) 16.233 3.981 ( -3.900 -5.796 -4.588) 8.358 4.004 ( 5.599 -10.375 7.571) 14.011 4.185 ( 0.905 -6.624 -10.072) 12.089 4.291 ( -6.687 -9.834 3.533) 12.405 4.490 ( -13.179 -6.139 -8.569) 16.876 4.738 ( -1.710 6.463 -4.749) 8.200 4.784 ( -6.821 7.405 -7.073) 12.303 5.107 ( -1.289 -11.960 0.971) 12.068 5.154 ( -5.987 -10.401 -3.553) 12.516 5.735 ( 6.752 4.173 5.583) 9.704 5.819 ( 0.689 1.755 -0.024) 1.886 6.005 ( 0.999 4.333 1.748) 4.778 6.106 ( -6.284 2.541 -5.839) 8.947 6.479 ( 9.218 -3.682 2.905) 10.342 6.598 ( 11.679 -5.987 -6.263) 14.542 6.675 ( -8.755 0.190 3.493) 9.428 6.849 ( -12.124 -5.097 -10.685) 16.945 7.764 ( 0.587 20.484 9.274) 22.493 7.801 ( -2.829 20.063 6.689) 21.337 7.944 ( 1.829 12.066 -2.741) 12.508 7.964 ( 0.569 10.179 -4.265) 11.051 9.264 ( 10.710 -1.185 3.954) 11.478 9.308 ( 9.325 -1.627 -0.328) 9.472 9.392 ( 5.142 -0.237 0.481) 5.169 9.412 ( 2.571 -0.247 -0.559) 2.642 9.512 ( 0.052 2.635 7.310) 7.771 9.641 ( -8.111 4.414 -4.987) 10.495 10.040 ( 2.169 -17.652 4.357) 18.311 10.109 ( -4.654 -16.196 -2.189) 16.993 11.094 ( 2.570 1.576 2.312) 3.800 11.117 ( 0.740 1.278 0.080) 1.479 11.168 ( 0.387 -1.263 -1.057) 1.691 11.198 ( -2.237 -2.073 -4.356) 5.317 11.866 ( 2.431 0.795 4.317) 5.018 11.901 ( -0.784 0.578 2.122) 2.335 11.951 ( 1.733 -2.239 -1.844) 3.379 11.985 ( -1.276 -2.226 -3.623) 4.440 13.861 ( 1.640 6.432 5.373) 8.540 13.905 ( -2.751 5.596 1.337) 6.378 14.174 ( -0.830 -6.803 1.268) 6.970 14.184 ( -1.868 -6.273 0.031) 6.546 15.183 ( 1.220 29.233 -0.012) 29.258 15.252 ( -5.803 28.227 -6.775) 29.603 16.647 ( 2.220 -34.583 1.371) 34.681 16.687 ( -1.917 -34.487 -2.572) 34.636 17.708 ( 12.713 1.462 9.845) 16.146 17.807 ( 6.339 -0.083 1.535) 6.523 17.894 ( 5.719 -2.656 7.022) 9.438 17.992 ( -0.329 -4.323 -1.045) 4.460 20.244 ( 1.576 6.415 -2.466) 7.051 20.258 ( 1.615 5.497 -3.433) 6.679 20.374 ( -6.880 4.916 -1.555) 8.597 20.393 ( -7.507 3.856 -3.192) 9.023 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.000 -7.776 2.643) 8.213 2.743 ( 0.000 7.776 2.643) 8.213 3.144 ( 0.000 -6.408 -4.731) 7.966 3.144 ( 0.000 6.408 -4.731) 7.966 3.446 ( 0.000 -12.477 10.739) 16.462 3.446 ( 0.000 12.477 10.739) 16.462 3.629 ( 0.000 -3.394 -7.470) 8.205 3.629 ( 0.000 3.394 -7.470) 8.205 4.207 ( 0.000 -0.414 3.822) 3.844 4.207 ( 0.000 0.414 3.822) 3.844 4.443 ( 0.000 -5.182 -8.416) 9.883 4.443 ( 0.000 5.182 -8.416) 9.883 5.248 ( 0.000 -4.385 -0.884) 4.473 5.248 ( 0.000 4.385 -0.884) 4.473 5.720 ( 0.000 -3.329 7.547) 8.248 5.720 ( 0.000 3.329 7.547) 8.248 5.945 ( 0.000 -2.335 3.200) 3.962 5.945 ( 0.000 2.335 3.200) 3.962 6.238 ( 0.000 -3.674 -9.913) 10.572 6.238 ( 0.000 3.674 -9.913) 10.572 6.907 ( 0.000 -22.009 15.475) 26.905 6.907 ( 0.000 22.009 15.475) 26.905 7.043 ( 0.000 -6.500 1.296) 6.628 7.043 ( 0.000 6.500 1.296) 6.628 7.495 ( 0.000 -9.903 -19.453) 21.828 7.495 ( 0.000 9.903 -19.453) 21.828 7.987 ( 0.000 -3.379 -0.323) 3.394 7.987 ( 0.000 3.379 -0.323) 3.394 8.356 ( 0.000 -4.144 2.661) 4.925 8.356 ( 0.000 4.144 2.661) 4.925 8.634 ( 0.000 -5.526 -0.866) 5.594 8.634 ( 0.000 5.526 -0.866) 5.594 9.606 ( 0.000 -3.076 12.074) 12.460 9.606 ( 0.000 3.076 12.074) 12.460 10.126 ( 0.000 -1.873 -8.801) 8.998 10.126 ( 0.000 1.873 -8.801) 8.998 10.965 ( 0.000 -1.353 3.026) 3.315 10.965 ( 0.000 1.353 3.026) 3.315 11.233 ( 0.000 -2.445 -4.078) 4.755 11.233 ( 0.000 2.445 -4.078) 4.755 11.772 ( 0.000 -2.056 3.932) 4.437 11.772 ( 0.000 2.056 3.932) 4.437 11.897 ( 0.000 -2.085 -5.561) 5.939 11.897 ( 0.000 2.085 -5.561) 5.939 14.046 ( 0.000 -7.386 8.118) 10.975 14.046 ( 0.000 7.386 8.118) 10.975 14.364 ( 0.000 -5.462 -3.501) 6.487 14.364 ( 0.000 5.462 -3.501) 6.487 16.078 ( 0.000 -4.239 21.542) 21.955 16.078 ( 0.000 4.239 21.542) 21.955 16.431 ( 0.000 -10.000 11.874) 15.524 16.431 ( 0.000 10.000 11.874) 15.524 16.581 ( 0.000 -3.656 -18.164) 18.529 16.581 ( 0.000 3.656 -18.164) 18.529 16.875 ( 0.000 -5.240 -16.618) 17.425 16.875 ( 0.000 5.240 -16.618) 17.425 20.519 ( 0.000 -1.175 0.766) 1.403 20.519 ( 0.000 1.175 0.766) 1.403 20.977 ( 0.000 -1.029 1.093) 1.501 20.977 ( 0.000 1.029 1.093) 1.501 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 0.904 -6.503 2.034) 6.873 2.745 ( 0.904 6.503 2.034) 6.873 3.140 ( 0.183 -1.396 -0.967) 1.708 3.140 ( 0.183 1.396 -0.967) 1.708 3.479 ( -0.884 -4.939 -0.401) 5.034 3.479 ( -0.884 4.939 -0.401) 5.034 3.653 ( 4.582 -5.149 -0.788) 6.938 3.653 ( 4.582 5.149 -0.788) 6.938 4.171 ( -3.108 -2.151 7.121) 8.062 4.171 ( -3.108 2.151 7.121) 8.062 4.503 ( 5.219 -6.532 -9.687) 12.796 4.503 ( 5.219 6.532 -9.687) 12.796 5.221 ( -1.970 -4.769 -0.795) 5.221 5.221 ( -1.970 4.769 -0.795) 5.221 5.576 ( -12.304 -1.441 5.190) 13.431 5.576 ( -12.304 1.441 5.190) 13.431 5.937 ( -0.881 -2.955 2.982) 4.290 5.937 ( -0.881 2.955 2.982) 4.290 6.143 ( -9.294 -5.258 -9.639) 14.386 6.143 ( -9.294 5.258 -9.639) 14.386 6.820 ( -11.274 -5.791 8.263) 15.130 6.820 ( -11.274 5.791 8.263) 15.130 7.044 ( 2.090 -14.469 5.111) 15.487 7.044 ( 2.090 14.469 5.111) 15.487 7.587 ( 8.846 -6.691 -13.449) 17.433 7.587 ( 8.846 6.691 -13.449) 17.433 8.037 ( 4.602 -2.801 -1.902) 5.713 8.037 ( 4.602 2.801 -1.902) 5.713 8.504 ( 12.130 -7.173 2.957) 14.399 8.504 ( 12.130 7.173 2.957) 14.399 8.617 ( 1.192 -8.350 -1.202) 8.520 8.617 ( 1.192 8.350 -1.202) 8.520 9.671 ( 5.268 -5.839 13.063) 15.247 9.671 ( 5.268 5.839 13.063) 15.247 10.103 ( -2.149 -5.029 -9.548) 11.004 10.103 ( -2.149 5.029 -9.548) 11.004 10.977 ( 1.239 -1.362 2.873) 3.412 10.977 ( 1.239 1.362 2.873) 3.412 11.230 ( -0.312 -2.471 -3.884) 4.614 11.230 ( -0.312 2.471 -3.884) 4.614 11.783 ( 1.070 -2.069 3.387) 4.110 11.783 ( 1.070 2.069 3.387) 4.110 11.907 ( 1.012 -1.951 -4.865) 5.338 11.907 ( 1.012 1.951 -4.865) 5.338 14.032 ( -1.322 -7.030 7.553) 10.403 14.032 ( -1.322 7.030 7.553) 10.403 14.326 ( -3.645 -4.803 -3.099) 6.779 14.326 ( -3.645 4.803 -3.099) 6.779 15.975 ( -7.014 -15.771 14.881) 22.790 15.975 ( -7.014 15.771 14.881) 22.790 16.408 ( -9.728 -16.924 -14.036) 24.042 16.408 ( -9.728 16.924 -14.036) 24.042 16.649 ( 16.422 -11.952 16.915) 26.432 16.649 ( 16.422 11.952 16.915) 26.432 17.116 ( 18.285 -5.603 -18.734) 26.772 17.116 ( 18.285 5.603 -18.734) 26.772 20.482 ( -3.617 -1.051 0.572) 3.810 20.482 ( -3.617 1.051 0.572) 3.810 20.931 ( -4.666 -0.902 0.849) 4.827 20.931 ( -4.666 0.902 0.849) 4.827 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 5.571 -4.941 2.509) 7.858 2.806 ( 5.571 4.941 2.509) 7.858 3.125 ( -3.215 -4.659 -0.875) 5.728 3.125 ( -3.215 4.659 -0.875) 5.728 3.443 ( 1.089 -4.032 -6.886) 8.053 3.443 ( 1.089 4.032 -6.886) 8.053 3.742 ( 1.777 -2.887 2.455) 4.185 3.742 ( 1.777 2.887 2.455) 4.185 4.107 ( -3.295 -7.340 12.892) 15.196 4.107 ( -3.295 7.340 12.892) 15.196 4.587 ( 1.812 -7.444 -11.584) 13.889 4.587 ( 1.812 7.444 -11.584) 13.889 5.183 ( -4.010 -7.713 3.762) 9.472 5.183 ( -4.010 7.713 3.762) 9.472 5.345 ( -8.442 -4.369 -4.725) 10.615 5.345 ( -8.442 4.369 -4.725) 10.615 5.844 ( -11.844 -5.582 -1.153) 13.144 5.844 ( -11.844 5.582 -1.153) 13.144 6.004 ( 1.265 -3.487 -3.181) 4.887 6.004 ( 1.265 3.487 -3.181) 4.887 6.559 ( -13.229 -2.282 4.868) 14.279 6.559 ( -13.229 2.282 4.868) 14.279 7.046 ( -3.031 -9.557 -1.001) 10.076 7.046 ( -3.031 9.557 -1.001) 10.076 7.789 ( 10.319 -3.839 0.099) 11.010 7.789 ( 10.319 3.839 0.099) 11.010 8.108 ( 1.400 -6.460 -4.109) 7.783 8.108 ( 1.400 6.460 -4.109) 7.783 8.688 ( 11.580 -7.130 3.610) 14.070 8.688 ( 11.580 7.130 3.610) 14.070 8.839 ( 16.442 -9.116 -3.156) 19.063 8.839 ( 16.442 9.116 -3.156) 19.063 9.752 ( 2.031 -9.638 14.454) 17.491 9.752 ( 2.031 9.638 14.454) 17.491 10.048 ( -3.509 -8.871 -10.460) 14.157 10.048 ( -3.509 8.871 -10.460) 14.157 11.012 ( 2.355 -1.354 2.628) 3.779 11.012 ( 2.355 1.354 2.628) 3.779 11.221 ( -0.707 -2.346 -3.620) 4.371 11.221 ( -0.707 2.346 -3.620) 4.371 11.811 ( 1.745 -1.956 2.258) 3.460 11.811 ( 1.745 1.956 2.258) 3.460 11.931 ( 1.279 -1.757 -3.144) 3.822 11.931 ( 1.279 1.757 -3.144) 3.822 14.003 ( -1.357 -6.175 6.034) 8.740 14.003 ( -1.357 6.175 6.034) 8.740 14.236 ( -5.209 -3.553 -1.922) 6.592 14.236 ( -5.209 3.553 -1.922) 6.592 15.864 ( -3.940 -19.920 7.975) 21.816 15.864 ( -3.940 19.920 7.975) 21.816 16.228 ( -8.344 -17.833 -9.870) 22.024 16.228 ( -8.344 17.833 -9.870) 22.024 17.029 ( 21.157 -6.349 18.639) 28.902 17.029 ( 21.157 6.349 18.639) 28.902 17.489 ( 18.621 -4.082 -16.463) 25.188 17.489 ( 18.621 4.082 -16.463) 25.188 20.392 ( -5.104 -0.687 -0.046) 5.150 20.392 ( -5.104 0.687 -0.046) 5.150 20.802 ( -8.222 -0.656 0.023) 8.249 20.802 ( -8.222 0.656 0.023) 8.249 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 5.326 -4.777 4.460) 8.431 2.933 ( 5.326 4.777 4.460) 8.431 3.052 ( -1.362 -5.303 -5.315) 7.630 3.052 ( -1.362 5.303 -5.315) 7.630 3.550 ( 7.648 -7.448 -3.034) 11.099 3.550 ( 7.648 7.448 -3.034) 11.099 3.738 ( 0.995 -4.684 0.515) 4.816 3.738 ( 0.995 4.684 0.515) 4.816 4.025 ( -5.567 -11.189 15.773) 20.125 4.025 ( -5.567 11.189 15.773) 20.125 4.538 ( -7.274 -7.423 -14.357) 17.724 4.538 ( -7.274 7.423 -14.357) 17.724 5.021 ( -9.210 -7.424 4.374) 12.612 5.021 ( -9.210 7.424 4.374) 12.612 5.190 ( -12.270 -7.530 -9.625) 17.317 5.190 ( -12.270 7.530 -9.625) 17.317 5.718 ( 3.004 -3.435 0.447) 4.586 5.718 ( 3.004 3.435 0.447) 4.586 6.111 ( 5.977 -2.413 0.711) 6.485 6.111 ( 5.977 2.413 0.711) 6.485 6.356 ( -5.459 -1.117 0.257) 5.577 6.356 ( -5.459 1.117 0.257) 5.577 6.928 ( -8.671 -6.495 -4.318) 11.662 6.928 ( -8.671 6.495 -4.318) 11.662 7.950 ( 5.936 -5.892 6.615) 10.663 7.950 ( 5.936 5.892 6.615) 10.663 8.105 ( -0.976 -3.587 -2.762) 4.631 8.105 ( -0.976 3.587 -2.762) 4.631 8.981 ( 16.626 -2.529 2.926) 17.070 8.981 ( 16.626 2.529 2.926) 17.070 9.160 ( 15.766 -5.349 -4.095) 17.145 9.160 ( 15.766 5.349 -4.095) 17.145 9.738 ( -3.198 -11.233 12.474) 17.088 9.738 ( -3.198 11.233 12.474) 17.088 9.957 ( -6.196 -10.182 -8.649) 14.726 9.957 ( -6.196 10.182 -8.649) 14.726 11.064 ( 2.801 -1.120 2.012) 3.627 11.064 ( 2.801 1.120 2.012) 3.627 11.201 ( -1.383 -1.715 -3.206) 3.890 11.201 ( -1.383 1.715 -3.206) 3.890 11.851 ( 2.338 -1.890 1.427) 3.327 11.851 ( 2.338 1.890 1.427) 3.327 11.948 ( 0.267 -1.773 -1.340) 2.238 11.948 ( 0.267 1.773 -1.340) 2.238 13.987 ( -0.085 -5.145 4.182) 6.631 13.987 ( -0.085 5.145 4.182) 6.631 14.136 ( -4.824 -2.934 -0.320) 5.655 14.136 ( -4.824 2.934 -0.320) 5.655 15.827 ( 0.065 -20.428 3.030) 20.652 15.827 ( 0.065 20.428 3.030) 20.652 16.079 ( -7.027 -18.438 -6.228) 20.691 16.079 ( -7.027 18.438 -6.228) 20.691 17.437 ( 19.810 -4.076 15.315) 25.369 17.437 ( 19.810 4.076 15.315) 25.369 17.796 ( 11.659 -3.470 -9.633) 15.517 17.796 ( 11.659 3.470 -9.633) 15.517 20.309 ( -2.625 -0.194 -1.216) 2.900 20.309 ( -2.625 0.194 -1.216) 2.900 20.622 ( -9.874 -0.483 -1.343) 9.976 20.622 ( -9.874 0.483 -1.343) 9.976 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 3.273 -1.295 -0.140) 3.523 2.993 ( 3.273 1.295 -0.140) 3.523 3.058 ( -1.644 -1.818 -2.140) 3.254 3.058 ( -1.644 1.818 -2.140) 3.254 3.677 ( 7.334 -13.027 9.782) 17.866 3.677 ( 7.334 13.027 9.782) 17.866 3.828 ( -3.439 -8.089 11.137) 14.188 3.828 ( -3.439 8.089 11.137) 14.188 3.968 ( 10.333 -12.171 -6.123) 17.100 3.968 ( 10.333 12.171 -6.123) 17.100 4.292 ( -17.160 -9.332 -15.635) 25.020 4.292 ( -17.160 9.332 -15.635) 25.020 4.903 ( -1.967 -7.951 -0.124) 8.191 4.903 ( -1.967 7.951 -0.124) 8.191 4.961 ( -8.085 -8.363 -4.442) 12.451 4.961 ( -8.085 8.363 -4.442) 12.451 5.871 ( 9.947 -4.129 1.158) 10.832 5.871 ( 9.947 4.129 1.158) 10.832 6.058 ( -8.539 -4.782 2.362) 10.068 6.058 ( -8.539 4.782 2.362) 10.068 6.467 ( 12.639 -3.915 -4.170) 13.873 6.467 ( 12.639 3.915 -4.170) 13.873 6.720 ( -12.272 -5.058 -4.720) 14.088 6.720 ( -12.272 5.058 -4.720) 14.088 8.032 ( 2.973 -4.043 5.238) 7.254 8.032 ( 2.973 4.043 5.238) 7.254 8.078 ( -1.820 -2.504 1.040) 3.266 8.078 ( -1.820 2.504 1.040) 3.266 9.282 ( 13.118 -2.230 3.773) 13.831 9.282 ( 13.118 2.230 3.773) 13.831 9.401 ( 5.131 -0.969 -1.365) 5.398 9.401 ( 5.131 0.969 -1.365) 5.398 9.671 ( -0.178 -13.630 5.088) 14.549 9.671 ( -0.178 13.630 5.088) 14.549 9.801 ( -9.343 -10.853 -5.025) 15.176 9.801 ( -9.343 10.853 -5.025) 15.176 11.118 ( 2.668 -0.852 0.332) 2.820 11.118 ( 2.668 0.852 0.332) 2.820 11.166 ( -2.171 -0.955 -1.837) 3.000 11.166 ( -2.171 0.955 -1.837) 3.000 11.899 ( 2.412 -1.982 0.844) 3.234 11.899 ( 2.412 1.982 0.844) 3.234 11.937 ( -1.376 -1.936 0.004) 2.375 11.937 ( -1.376 1.936 0.004) 2.375 14.003 ( 1.720 -4.108 2.584) 5.149 14.003 ( 1.720 4.108 2.584) 5.149 14.054 ( -3.462 -3.262 1.196) 4.905 14.054 ( -3.462 3.262 1.196) 4.905 15.863 ( 3.461 -19.770 -0.521) 20.078 15.863 ( 3.461 19.770 -0.521) 20.078 15.954 ( -5.699 -19.002 -3.362) 20.121 15.954 ( -5.699 19.002 -3.362) 20.121 17.766 ( 12.890 -3.368 8.784) 15.958 17.766 ( 12.890 3.368 8.784) 15.958 17.906 ( -0.869 -3.308 -0.156) 3.424 17.906 ( -0.869 3.308 -0.156) 3.424 20.314 ( 3.434 -0.226 -2.519) 4.265 20.314 ( 3.434 0.226 -2.519) 4.265 20.436 ( -8.557 -0.392 -2.576) 8.945 20.436 ( -8.557 0.392 -2.576) 8.945 =================== 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 3/29160 10.0 1339.179 1139.220 1914.751 0.000 0.000 0.000 3/29160 20.0 765.346 653.705 740.586 0.000 0.000 0.000 3/29160 30.0 240.571 217.725 216.625 0.000 0.000 0.000 3/29160 40.0 110.279 103.041 99.478 0.000 0.000 0.000 3/29160 50.0 64.767 61.831 59.396 0.000 0.000 0.000 3/29160 60.0 44.232 42.890 41.234 0.000 0.000 0.000 3/29160 70.0 33.123 32.498 31.288 0.000 0.000 0.000 3/29160 80.0 26.337 26.071 25.125 0.000 0.000 0.000 3/29160 90.0 21.827 21.751 20.973 0.000 0.000 0.000 3/29160 100.0 18.640 18.668 18.006 0.000 0.000 0.000 3/29160 110.0 16.280 16.365 15.789 0.000 0.000 0.000 3/29160 120.0 14.468 14.583 14.074 0.000 0.000 0.000 3/29160 130.0 13.035 13.165 12.709 0.000 0.000 0.000 3/29160 140.0 11.874 12.009 11.598 0.000 0.000 0.000 3/29160 150.0 10.914 11.050 10.676 0.000 0.000 0.000 3/29160 160.0 10.108 10.240 9.899 0.000 0.000 0.000 3/29160 170.0 9.420 9.547 9.234 0.000 0.000 0.000 3/29160 180.0 8.825 8.947 8.658 0.000 0.000 0.000 3/29160 190.0 8.306 8.422 8.154 0.000 0.000 0.000 3/29160 200.0 7.849 7.959 7.709 0.000 0.000 0.000 3/29160 210.0 7.442 7.546 7.313 0.000 0.000 0.000 3/29160 220.0 7.078 7.176 6.958 0.000 0.000 0.000 3/29160 230.0 6.750 6.843 6.637 0.000 0.000 0.000 3/29160 240.0 6.453 6.540 6.347 0.000 0.000 0.000 3/29160 250.0 6.181 6.264 6.081 0.000 0.000 0.000 3/29160 260.0 5.933 6.011 5.838 0.000 0.000 0.000 3/29160 270.0 5.705 5.779 5.615 0.000 0.000 0.000 3/29160 280.0 5.495 5.565 5.408 0.000 0.000 0.000 3/29160 290.0 5.300 5.366 5.217 0.000 0.000 0.000 3/29160 300.0 5.119 5.182 5.039 0.000 0.000 0.000 3/29160 310.0 4.950 5.010 4.873 0.000 0.000 0.000 3/29160 320.0 4.792 4.849 4.718 0.000 0.000 0.000 3/29160 330.0 4.644 4.699 4.573 0.000 0.000 0.000 3/29160 340.0 4.506 4.558 4.437 0.000 0.000 0.000 3/29160 350.0 4.375 4.425 4.309 0.000 0.000 0.000 3/29160 360.0 4.252 4.300 4.188 0.000 0.000 0.000 3/29160 370.0 4.136 4.182 4.074 0.000 0.000 0.000 3/29160 380.0 4.027 4.070 3.966 0.000 0.000 0.000 3/29160 390.0 3.923 3.965 3.863 0.000 0.000 0.000 3/29160 400.0 3.824 3.864 3.766 0.000 0.000 0.000 3/29160 410.0 3.730 3.769 3.674 0.000 0.000 0.000 3/29160 420.0 3.641 3.679 3.586 0.000 0.000 0.000 3/29160 430.0 3.556 3.592 3.503 0.000 0.000 0.000 3/29160 440.0 3.475 3.510 3.423 0.000 0.000 0.000 3/29160 450.0 3.397 3.431 3.346 0.000 0.000 0.000 3/29160 460.0 3.323 3.356 3.274 0.000 0.000 0.000 3/29160 470.0 3.253 3.284 3.204 0.000 0.000 0.000 3/29160 480.0 3.185 3.216 3.137 0.000 0.000 0.000 3/29160 490.0 3.120 3.150 3.073 0.000 0.000 0.000 3/29160 500.0 3.057 3.086 3.012 0.000 0.000 0.000 3/29160 510.0 2.997 3.025 2.952 0.000 0.000 0.000 3/29160 520.0 2.940 2.967 2.896 0.000 0.000 0.000 3/29160 530.0 2.884 2.911 2.841 0.000 0.000 0.000 3/29160 540.0 2.831 2.857 2.788 0.000 0.000 0.000 3/29160 550.0 2.779 2.805 2.738 0.000 0.000 0.000 3/29160 560.0 2.730 2.754 2.689 0.000 0.000 0.000 3/29160 570.0 2.682 2.706 2.642 0.000 0.000 0.000 3/29160 580.0 2.636 2.659 2.596 0.000 0.000 0.000 3/29160 590.0 2.591 2.614 2.552 0.000 0.000 0.000 3/29160 600.0 2.548 2.570 2.510 0.000 0.000 0.000 3/29160 610.0 2.506 2.528 2.469 0.000 0.000 0.000 3/29160 620.0 2.466 2.487 2.429 0.000 0.000 0.000 3/29160 630.0 2.427 2.448 2.391 0.000 0.000 0.000 3/29160 640.0 2.389 2.409 2.353 0.000 0.000 0.000 3/29160 650.0 2.352 2.372 2.317 0.000 0.000 0.000 3/29160 660.0 2.317 2.336 2.282 0.000 0.000 0.000 3/29160 670.0 2.282 2.301 2.248 0.000 0.000 0.000 3/29160 680.0 2.249 2.268 2.215 0.000 0.000 0.000 3/29160 690.0 2.216 2.235 2.183 0.000 0.000 0.000 3/29160 700.0 2.185 2.203 2.152 0.000 0.000 0.000 3/29160 710.0 2.154 2.172 2.122 0.000 0.000 0.000 3/29160 720.0 2.124 2.142 2.092 0.000 0.000 0.000 3/29160 730.0 2.095 2.112 2.064 0.000 0.000 0.000 3/29160 740.0 2.067 2.084 2.036 0.000 0.000 0.000 3/29160 750.0 2.039 2.056 2.009 0.000 0.000 0.000 3/29160 760.0 2.013 2.029 1.982 0.000 0.000 0.000 3/29160 770.0 1.986 2.002 1.957 0.000 0.000 0.000 3/29160 780.0 1.961 1.977 1.932 0.000 0.000 0.000 3/29160 790.0 1.936 1.952 1.907 0.000 0.000 0.000 3/29160 800.0 1.912 1.927 1.884 0.000 0.000 0.000 3/29160 810.0 1.889 1.904 1.860 0.000 0.000 0.000 3/29160 820.0 1.866 1.880 1.838 0.000 0.000 0.000 3/29160 830.0 1.843 1.858 1.816 0.000 0.000 0.000 3/29160 840.0 1.821 1.836 1.794 0.000 0.000 0.000 3/29160 850.0 1.800 1.814 1.773 0.000 0.000 0.000 3/29160 860.0 1.779 1.793 1.752 0.000 0.000 0.000 3/29160 870.0 1.759 1.772 1.732 0.000 0.000 0.000 3/29160 880.0 1.739 1.752 1.713 0.000 0.000 0.000 3/29160 890.0 1.719 1.733 1.693 0.000 0.000 0.000 3/29160 900.0 1.700 1.713 1.675 0.000 0.000 0.000 3/29160 910.0 1.682 1.694 1.656 0.000 0.000 0.000 3/29160 920.0 1.663 1.676 1.638 0.000 0.000 0.000 3/29160 930.0 1.645 1.658 1.621 0.000 0.000 0.000 3/29160 940.0 1.628 1.640 1.604 0.000 0.000 0.000 3/29160 950.0 1.611 1.623 1.587 0.000 0.000 0.000 3/29160 960.0 1.594 1.606 1.570 0.000 0.000 0.000 3/29160 970.0 1.578 1.590 1.554 0.000 0.000 0.000 3/29160 980.0 1.562 1.573 1.538 0.000 0.000 0.000 3/29160 990.0 1.546 1.558 1.523 0.000 0.000 0.000 3/29160 1000.0 1.530 1.542 1.508 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:14:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|