----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:04:34]------------------------- 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 6.647418000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.443761129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.645538800000000 Atomic positions (fractional): *1 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 2 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 3 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 4 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 *5 Ca 0.49456110018898 0.25000000000000 0.03669190387411 40.078 6 Ca 0.99456110018898 0.25000000000000 0.46330809612589 40.078 7 Ca 0.00543889981102 0.75000000000000 0.53669190387411 40.078 8 Ca 0.50543889981102 0.75000000000000 0.96330809612589 40.078 *9 Ca 0.28260933305636 0.01896996129295 0.71740797067413 40.078 10 Ca 0.78260933305636 0.48103003870705 0.78259202932587 40.078 11 Ca 0.21739066694364 0.98103003870705 0.21740797067413 40.078 12 Ca 0.71739066694364 0.51896996129295 0.28259202932587 40.078 13 Ca 0.71739066694364 0.98103003870705 0.28259202932587 40.078 14 Ca 0.21739066694364 0.51896996129295 0.21740797067413 40.078 15 Ca 0.78260933305636 0.01896996129295 0.78259202932587 40.078 16 Ca 0.28260933305636 0.48103003870705 0.71740797067413 40.078 *17 As 0.98337969576115 0.75000000000000 0.00213663620516 74.922 18 As 0.48337969576115 0.75000000000000 0.49786336379484 74.922 19 As 0.51662030423885 0.25000000000000 0.50213663620516 74.922 20 As 0.01662030423885 0.25000000000000 0.99786336379484 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.647418000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.443761129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.645538800000000 Atomic positions (fractional): *1 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 > 1 2 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 2 3 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 > 3 4 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 4 *5 Ca 0.49456110018898 0.25000000000000 0.03669190387411 40.078 > 5 6 Ca 0.99456110018898 0.25000000000000 0.46330809612589 40.078 > 6 7 Ca 0.00543889981102 0.75000000000000 0.53669190387411 40.078 > 7 8 Ca 0.50543889981102 0.75000000000000 0.96330809612589 40.078 > 8 *9 Ca 0.28260933305636 0.01896996129295 0.71740797067413 40.078 > 9 10 Ca 0.78260933305636 0.48103003870705 0.78259202932587 40.078 > 10 11 Ca 0.21739066694364 0.98103003870705 0.21740797067413 40.078 > 11 12 Ca 0.71739066694364 0.51896996129295 0.28259202932587 40.078 > 12 13 Ca 0.71739066694364 0.98103003870705 0.28259202932587 40.078 > 13 14 Ca 0.21739066694364 0.51896996129295 0.21740797067413 40.078 > 14 15 Ca 0.78260933305636 0.01896996129295 0.78259202932587 40.078 > 15 16 Ca 0.28260933305636 0.48103003870705 0.71740797067413 40.078 > 16 *17 As 0.98337969576115 0.75000000000000 0.00213663620516 74.922 > 17 18 As 0.48337969576115 0.75000000000000 0.49786336379484 74.922 > 18 19 As 0.51662030423885 0.25000000000000 0.50213663620516 74.922 > 19 20 As 0.01662030423885 0.25000000000000 0.99786336379484 74.922 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.294836000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.443761129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.291077599999999 Atomic positions (fractional): *1 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 1 2 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 1 4 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 1 5 N 0.25000000000000 0.00000000000000 0.00000000000000 14.007 > 2 6 N 0.75000000000000 0.00000000000000 0.00000000000000 14.007 > 2 7 N 0.25000000000000 0.00000000000000 0.50000000000000 14.007 > 2 8 N 0.75000000000000 0.00000000000000 0.50000000000000 14.007 > 2 9 N 0.25000000000000 0.50000000000000 0.00000000000000 14.007 > 3 10 N 0.75000000000000 0.50000000000000 0.00000000000000 14.007 > 3 11 N 0.25000000000000 0.50000000000000 0.50000000000000 14.007 > 3 12 N 0.75000000000000 0.50000000000000 0.50000000000000 14.007 > 3 13 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 4 14 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 4 15 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 4 16 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 4 *17 Ca 0.24728055009449 0.25000000000000 0.01834595193705 40.078 > 5 18 Ca 0.74728055009449 0.25000000000000 0.01834595193705 40.078 > 5 19 Ca 0.24728055009449 0.25000000000000 0.51834595193705 40.078 > 5 20 Ca 0.74728055009449 0.25000000000000 0.51834595193705 40.078 > 5 21 Ca 0.49728055009449 0.25000000000000 0.23165404806295 40.078 > 6 22 Ca 0.99728055009449 0.25000000000000 0.23165404806295 40.078 > 6 23 Ca 0.49728055009449 0.25000000000000 0.73165404806295 40.078 > 6 24 Ca 0.99728055009449 0.25000000000000 0.73165404806295 40.078 > 6 25 Ca 0.00271944990551 0.75000000000000 0.26834595193705 40.078 > 7 26 Ca 0.50271944990551 0.75000000000000 0.26834595193705 40.078 > 7 27 Ca 0.00271944990551 0.75000000000000 0.76834595193705 40.078 > 7 28 Ca 0.50271944990551 0.75000000000000 0.76834595193705 40.078 > 7 29 Ca 0.25271944990551 0.75000000000000 0.48165404806295 40.078 > 8 30 Ca 0.75271944990551 0.75000000000000 0.48165404806295 40.078 > 8 31 Ca 0.25271944990551 0.75000000000000 0.98165404806295 40.078 > 8 32 Ca 0.75271944990551 0.75000000000000 0.98165404806295 40.078 > 8 *33 Ca 0.14130466652818 0.01896996129295 0.35870398533706 40.078 > 9 34 Ca 0.64130466652818 0.01896996129295 0.35870398533706 40.078 > 9 35 Ca 0.14130466652818 0.01896996129295 0.85870398533706 40.078 > 9 36 Ca 0.64130466652818 0.01896996129295 0.85870398533706 40.078 > 9 37 Ca 0.39130466652818 0.48103003870705 0.39129601466294 40.078 > 10 38 Ca 0.89130466652818 0.48103003870705 0.39129601466294 40.078 > 10 39 Ca 0.39130466652818 0.48103003870705 0.89129601466294 40.078 > 10 40 Ca 0.89130466652818 0.48103003870705 0.89129601466294 40.078 > 10 41 Ca 0.10869533347182 0.98103003870705 0.10870398533706 40.078 > 11 42 Ca 0.60869533347182 0.98103003870705 0.10870398533706 40.078 > 11 43 Ca 0.10869533347182 0.98103003870705 0.60870398533706 40.078 > 11 44 Ca 0.60869533347182 0.98103003870705 0.60870398533706 40.078 > 11 45 Ca 0.35869533347182 0.51896996129295 0.14129601466294 40.078 > 12 46 Ca 0.85869533347182 0.51896996129295 0.14129601466294 40.078 > 12 47 Ca 0.35869533347182 0.51896996129295 0.64129601466294 40.078 > 12 48 Ca 0.85869533347182 0.51896996129295 0.64129601466294 40.078 > 12 49 Ca 0.35869533347182 0.98103003870705 0.14129601466294 40.078 > 13 50 Ca 0.85869533347182 0.98103003870705 0.14129601466294 40.078 > 13 51 Ca 0.35869533347182 0.98103003870705 0.64129601466294 40.078 > 13 52 Ca 0.85869533347182 0.98103003870705 0.64129601466294 40.078 > 13 53 Ca 0.10869533347182 0.51896996129295 0.10870398533706 40.078 > 14 54 Ca 0.60869533347182 0.51896996129295 0.10870398533706 40.078 > 14 55 Ca 0.10869533347182 0.51896996129295 0.60870398533706 40.078 > 14 56 Ca 0.60869533347182 0.51896996129295 0.60870398533706 40.078 > 14 57 Ca 0.39130466652818 0.01896996129295 0.39129601466294 40.078 > 15 58 Ca 0.89130466652818 0.01896996129295 0.39129601466294 40.078 > 15 59 Ca 0.39130466652818 0.01896996129295 0.89129601466294 40.078 > 15 60 Ca 0.89130466652818 0.01896996129295 0.89129601466294 40.078 > 15 61 Ca 0.14130466652818 0.48103003870705 0.35870398533706 40.078 > 16 62 Ca 0.64130466652818 0.48103003870705 0.35870398533706 40.078 > 16 63 Ca 0.14130466652818 0.48103003870705 0.85870398533706 40.078 > 16 64 Ca 0.64130466652818 0.48103003870705 0.85870398533706 40.078 > 16 *65 As 0.49168984788057 0.75000000000000 0.00106831810258 74.922 > 17 66 As 0.99168984788057 0.75000000000000 0.00106831810258 74.922 > 17 67 As 0.49168984788057 0.75000000000000 0.50106831810258 74.922 > 17 68 As 0.99168984788057 0.75000000000000 0.50106831810258 74.922 > 17 69 As 0.24168984788057 0.75000000000000 0.24893168189742 74.922 > 18 70 As 0.74168984788057 0.75000000000000 0.24893168189742 74.922 > 18 71 As 0.24168984788057 0.75000000000000 0.74893168189742 74.922 > 18 72 As 0.74168984788057 0.75000000000000 0.74893168189742 74.922 > 18 73 As 0.25831015211943 0.25000000000000 0.25106831810258 74.922 > 19 74 As 0.75831015211943 0.25000000000000 0.25106831810258 74.922 > 19 75 As 0.25831015211943 0.25000000000000 0.75106831810258 74.922 > 19 76 As 0.75831015211943 0.25000000000000 0.75106831810258 74.922 > 19 77 As 0.00831015211943 0.25000000000000 0.49893168189742 74.922 > 20 78 As 0.50831015211943 0.25000000000000 0.49893168189742 74.922 > 20 79 As 0.00831015211943 0.25000000000000 0.99893168189742 74.922 > 20 80 As 0.50831015211943 0.25000000000000 0.99893168189742 74.922 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3563646 0.0000000 0.0000000 0.0000000 10.7568899 0.0000000 0.0000000 0.0000000 10.1356643 -------------------------- Born effective charges -------------------------- 1 N -4.0604942 -0.0715137 0.3479505 -0.1389592 -4.0525160 -0.1494350 -0.3684075 0.1864705 -4.0083938 2 N -4.0604942 0.0715137 -0.3479505 0.1389592 -4.0525160 -0.1494350 0.3684075 0.1864705 -4.0083938 3 N -4.0604942 -0.0715137 -0.3479505 -0.1389592 -4.0525160 0.1494350 0.3684075 -0.1864705 -4.0083938 4 N -4.0604942 0.0715137 0.3479505 0.1389592 -4.0525160 0.1494350 -0.3684075 -0.1864705 -4.0083938 5 Ca 2.5295570 0.0000000 0.0941223 0.0000000 2.5139897 0.0000000 -0.0314412 0.0000000 2.4670879 6 Ca 2.5295570 0.0000000 -0.0941223 0.0000000 2.5139897 0.0000000 0.0314412 0.0000000 2.4670879 7 Ca 2.5295570 0.0000000 -0.0941223 0.0000000 2.5139897 0.0000000 0.0314412 0.0000000 2.4670879 8 Ca 2.5295570 0.0000000 0.0941223 0.0000000 2.5139897 0.0000000 -0.0314412 0.0000000 2.4670879 9 Ca 2.4355911 -0.0229336 -0.0351947 0.0119469 2.5670982 0.1355183 -0.0325678 0.1027874 2.4373467 10 Ca 2.4355911 0.0229336 0.0351947 -0.0119469 2.5670982 0.1355183 0.0325678 0.1027874 2.4373467 11 Ca 2.4355911 -0.0229336 0.0351947 0.0119469 2.5670982 -0.1355183 0.0325678 -0.1027874 2.4373467 12 Ca 2.4355911 0.0229336 -0.0351947 -0.0119469 2.5670982 -0.1355183 -0.0325678 -0.1027874 2.4373467 13 Ca 2.4355911 -0.0229336 -0.0351947 0.0119469 2.5670982 0.1355183 -0.0325678 0.1027874 2.4373467 14 Ca 2.4355911 0.0229336 0.0351947 -0.0119469 2.5670982 0.1355183 0.0325678 0.1027874 2.4373467 15 Ca 2.4355911 -0.0229336 0.0351947 0.0119469 2.5670982 -0.1355183 0.0325678 -0.1027874 2.4373467 16 Ca 2.4355911 0.0229336 -0.0351947 -0.0119469 2.5670982 -0.1355183 -0.0325678 -0.1027874 2.4373467 17 As -3.3402449 0.0000000 -0.0408752 0.0000000 -3.5956700 0.0000000 -0.0213248 0.0000000 -3.3333876 18 As -3.3402449 0.0000000 0.0408752 0.0000000 -3.5956700 0.0000000 0.0213248 0.0000000 -3.3333876 19 As -3.3402449 0.0000000 0.0408752 0.0000000 -3.5956700 0.0000000 0.0213248 0.0000000 -3.3333876 20 As -3.3402449 0.0000000 -0.0408752 0.0000000 -3.5956700 0.0000000 -0.0213248 0.0000000 -3.3333876 ---------------------------------------------------------------------------- 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: 0.733 Solver_block: 200 / 320 - Time: 0.745 Solver_block: 300 / 320 - Time: 0.748 Solver_block: 320 / 320 - Time: 0.189 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.431 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:04:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:04:47]------------------------- 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 6.647418000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.443761129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.645538800000000 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 2 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 3 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 4 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 5 Ca 0.49456110018898 0.25000000000000 0.03669190387411 40.078 6 Ca 0.99456110018898 0.25000000000000 0.46330809612589 40.078 7 Ca 0.00543889981102 0.75000000000000 0.53669190387411 40.078 8 Ca 0.50543889981102 0.75000000000000 0.96330809612589 40.078 9 Ca 0.28260933305636 0.01896996129295 0.71740797067413 40.078 10 Ca 0.78260933305636 0.48103003870705 0.78259202932587 40.078 11 Ca 0.21739066694364 0.98103003870705 0.21740797067413 40.078 12 Ca 0.71739066694364 0.51896996129295 0.28259202932587 40.078 13 Ca 0.71739066694364 0.98103003870705 0.28259202932587 40.078 14 Ca 0.21739066694364 0.51896996129295 0.21740797067413 40.078 15 Ca 0.78260933305636 0.01896996129295 0.78259202932587 40.078 16 Ca 0.28260933305636 0.48103003870705 0.71740797067413 40.078 17 As 0.98337969576115 0.75000000000000 0.00213663620516 74.922 18 As 0.48337969576115 0.75000000000000 0.49786336379484 74.922 19 As 0.51662030423885 0.25000000000000 0.50213663620516 74.922 20 As 0.01662030423885 0.25000000000000 0.99786336379484 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.294836000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.443761129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.291077599999999 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 1 2 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 1 4 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 1 5 N 0.25000000000000 0.00000000000000 0.00000000000000 14.007 > 5 6 N 0.75000000000000 0.00000000000000 0.00000000000000 14.007 > 5 7 N 0.25000000000000 0.00000000000000 0.50000000000000 14.007 > 5 8 N 0.75000000000000 0.00000000000000 0.50000000000000 14.007 > 5 9 N 0.25000000000000 0.50000000000000 0.00000000000000 14.007 > 9 10 N 0.75000000000000 0.50000000000000 0.00000000000000 14.007 > 9 11 N 0.25000000000000 0.50000000000000 0.50000000000000 14.007 > 9 12 N 0.75000000000000 0.50000000000000 0.50000000000000 14.007 > 9 13 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 13 14 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 13 15 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 13 16 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 13 17 Ca 0.24728055009449 0.25000000000000 0.01834595193705 40.078 > 17 18 Ca 0.74728055009449 0.25000000000000 0.01834595193705 40.078 > 17 19 Ca 0.24728055009449 0.25000000000000 0.51834595193705 40.078 > 17 20 Ca 0.74728055009449 0.25000000000000 0.51834595193705 40.078 > 17 21 Ca 0.49728055009449 0.25000000000000 0.23165404806295 40.078 > 21 22 Ca 0.99728055009449 0.25000000000000 0.23165404806295 40.078 > 21 23 Ca 0.49728055009449 0.25000000000000 0.73165404806295 40.078 > 21 24 Ca 0.99728055009449 0.25000000000000 0.73165404806295 40.078 > 21 25 Ca 0.00271944990551 0.75000000000000 0.26834595193705 40.078 > 25 26 Ca 0.50271944990551 0.75000000000000 0.26834595193705 40.078 > 25 27 Ca 0.00271944990551 0.75000000000000 0.76834595193705 40.078 > 25 28 Ca 0.50271944990551 0.75000000000000 0.76834595193705 40.078 > 25 29 Ca 0.25271944990551 0.75000000000000 0.48165404806295 40.078 > 29 30 Ca 0.75271944990551 0.75000000000000 0.48165404806295 40.078 > 29 31 Ca 0.25271944990551 0.75000000000000 0.98165404806295 40.078 > 29 32 Ca 0.75271944990551 0.75000000000000 0.98165404806295 40.078 > 29 33 Ca 0.14130466652818 0.01896996129295 0.35870398533706 40.078 > 33 34 Ca 0.64130466652818 0.01896996129295 0.35870398533706 40.078 > 33 35 Ca 0.14130466652818 0.01896996129295 0.85870398533706 40.078 > 33 36 Ca 0.64130466652818 0.01896996129295 0.85870398533706 40.078 > 33 37 Ca 0.39130466652818 0.48103003870705 0.39129601466294 40.078 > 37 38 Ca 0.89130466652818 0.48103003870705 0.39129601466294 40.078 > 37 39 Ca 0.39130466652818 0.48103003870705 0.89129601466294 40.078 > 37 40 Ca 0.89130466652818 0.48103003870705 0.89129601466294 40.078 > 37 41 Ca 0.10869533347182 0.98103003870705 0.10870398533706 40.078 > 41 42 Ca 0.60869533347182 0.98103003870705 0.10870398533706 40.078 > 41 43 Ca 0.10869533347182 0.98103003870705 0.60870398533706 40.078 > 41 44 Ca 0.60869533347182 0.98103003870705 0.60870398533706 40.078 > 41 45 Ca 0.35869533347182 0.51896996129295 0.14129601466294 40.078 > 45 46 Ca 0.85869533347182 0.51896996129295 0.14129601466294 40.078 > 45 47 Ca 0.35869533347182 0.51896996129295 0.64129601466294 40.078 > 45 48 Ca 0.85869533347182 0.51896996129295 0.64129601466294 40.078 > 45 49 Ca 0.35869533347182 0.98103003870705 0.14129601466294 40.078 > 49 50 Ca 0.85869533347182 0.98103003870705 0.14129601466294 40.078 > 49 51 Ca 0.35869533347182 0.98103003870705 0.64129601466294 40.078 > 49 52 Ca 0.85869533347182 0.98103003870705 0.64129601466294 40.078 > 49 53 Ca 0.10869533347182 0.51896996129295 0.10870398533706 40.078 > 53 54 Ca 0.60869533347182 0.51896996129295 0.10870398533706 40.078 > 53 55 Ca 0.10869533347182 0.51896996129295 0.60870398533706 40.078 > 53 56 Ca 0.60869533347182 0.51896996129295 0.60870398533706 40.078 > 53 57 Ca 0.39130466652818 0.01896996129295 0.39129601466294 40.078 > 57 58 Ca 0.89130466652818 0.01896996129295 0.39129601466294 40.078 > 57 59 Ca 0.39130466652818 0.01896996129295 0.89129601466294 40.078 > 57 60 Ca 0.89130466652818 0.01896996129295 0.89129601466294 40.078 > 57 61 Ca 0.14130466652818 0.48103003870705 0.35870398533706 40.078 > 61 62 Ca 0.64130466652818 0.48103003870705 0.35870398533706 40.078 > 61 63 Ca 0.14130466652818 0.48103003870705 0.85870398533706 40.078 > 61 64 Ca 0.64130466652818 0.48103003870705 0.85870398533706 40.078 > 61 65 As 0.49168984788057 0.75000000000000 0.00106831810258 74.922 > 65 66 As 0.99168984788057 0.75000000000000 0.00106831810258 74.922 > 65 67 As 0.49168984788057 0.75000000000000 0.50106831810258 74.922 > 65 68 As 0.99168984788057 0.75000000000000 0.50106831810258 74.922 > 65 69 As 0.24168984788057 0.75000000000000 0.24893168189742 74.922 > 69 70 As 0.74168984788057 0.75000000000000 0.24893168189742 74.922 > 69 71 As 0.24168984788057 0.75000000000000 0.74893168189742 74.922 > 69 72 As 0.74168984788057 0.75000000000000 0.74893168189742 74.922 > 69 73 As 0.25831015211943 0.25000000000000 0.25106831810258 74.922 > 73 74 As 0.75831015211943 0.25000000000000 0.25106831810258 74.922 > 73 75 As 0.25831015211943 0.25000000000000 0.75106831810258 74.922 > 73 76 As 0.75831015211943 0.25000000000000 0.75106831810258 74.922 > 73 77 As 0.00831015211943 0.25000000000000 0.49893168189742 74.922 > 77 78 As 0.50831015211943 0.25000000000000 0.49893168189742 74.922 > 77 79 As 0.00831015211943 0.25000000000000 0.99893168189742 74.922 > 77 80 As 0.50831015211943 0.25000000000000 0.99893168189742 74.922 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3563646 0.0000000 0.0000000 0.0000000 10.7568899 0.0000000 0.0000000 0.0000000 10.1356643 -------------------------- Born effective charges -------------------------- 1 N -4.0604942 -0.0715137 0.3479505 -0.1389592 -4.0525160 -0.1494350 -0.3684075 0.1864705 -4.0083938 2 N -4.0604942 0.0715137 -0.3479505 0.1389592 -4.0525160 -0.1494350 0.3684075 0.1864705 -4.0083938 3 N -4.0604942 -0.0715137 -0.3479505 -0.1389592 -4.0525160 0.1494350 0.3684075 -0.1864705 -4.0083938 4 N -4.0604942 0.0715137 0.3479505 0.1389592 -4.0525160 0.1494350 -0.3684075 -0.1864705 -4.0083938 5 Ca 2.5295570 0.0000000 0.0941223 0.0000000 2.5139897 0.0000000 -0.0314412 0.0000000 2.4670879 6 Ca 2.5295570 0.0000000 -0.0941223 0.0000000 2.5139897 0.0000000 0.0314412 0.0000000 2.4670879 7 Ca 2.5295570 0.0000000 -0.0941223 0.0000000 2.5139897 0.0000000 0.0314412 0.0000000 2.4670879 8 Ca 2.5295570 0.0000000 0.0941223 0.0000000 2.5139897 0.0000000 -0.0314412 0.0000000 2.4670879 9 Ca 2.4355911 -0.0229336 -0.0351947 0.0119469 2.5670982 0.1355183 -0.0325678 0.1027874 2.4373467 10 Ca 2.4355911 0.0229336 0.0351947 -0.0119469 2.5670982 0.1355183 0.0325678 0.1027874 2.4373467 11 Ca 2.4355911 -0.0229336 0.0351947 0.0119469 2.5670982 -0.1355183 0.0325678 -0.1027874 2.4373467 12 Ca 2.4355911 0.0229336 -0.0351947 -0.0119469 2.5670982 -0.1355183 -0.0325678 -0.1027874 2.4373467 13 Ca 2.4355911 -0.0229336 -0.0351947 0.0119469 2.5670982 0.1355183 -0.0325678 0.1027874 2.4373467 14 Ca 2.4355911 0.0229336 0.0351947 -0.0119469 2.5670982 0.1355183 0.0325678 0.1027874 2.4373467 15 Ca 2.4355911 -0.0229336 0.0351947 0.0119469 2.5670982 -0.1355183 0.0325678 -0.1027874 2.4373467 16 Ca 2.4355911 0.0229336 -0.0351947 -0.0119469 2.5670982 -0.1355183 -0.0325678 -0.1027874 2.4373467 17 As -3.3402449 0.0000000 -0.0408752 0.0000000 -3.5956700 0.0000000 -0.0213248 0.0000000 -3.3333876 18 As -3.3402449 0.0000000 0.0408752 0.0000000 -3.5956700 0.0000000 0.0213248 0.0000000 -3.3333876 19 As -3.3402449 0.0000000 0.0408752 0.0000000 -3.5956700 0.0000000 0.0213248 0.0000000 -3.3333876 20 As -3.3402449 0.0000000 -0.0408752 0.0000000 -3.5956700 0.0000000 -0.0213248 0.0000000 -3.3333876 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 20:04:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:04:57]------------------------- 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 6.647418000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.443761129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.645538800000000 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 2 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 3 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 4 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 5 Ca 0.49456110018898 0.25000000000000 0.03669190387411 40.078 6 Ca 0.99456110018898 0.25000000000000 0.46330809612589 40.078 7 Ca 0.00543889981102 0.75000000000000 0.53669190387411 40.078 8 Ca 0.50543889981102 0.75000000000000 0.96330809612589 40.078 9 Ca 0.28260933305636 0.01896996129295 0.71740797067413 40.078 10 Ca 0.78260933305636 0.48103003870705 0.78259202932587 40.078 11 Ca 0.21739066694364 0.98103003870705 0.21740797067413 40.078 12 Ca 0.71739066694364 0.51896996129295 0.28259202932587 40.078 13 Ca 0.71739066694364 0.98103003870705 0.28259202932587 40.078 14 Ca 0.21739066694364 0.51896996129295 0.21740797067413 40.078 15 Ca 0.78260933305636 0.01896996129295 0.78259202932587 40.078 16 Ca 0.28260933305636 0.48103003870705 0.71740797067413 40.078 17 As 0.98337969576115 0.75000000000000 0.00213663620516 74.922 18 As 0.48337969576115 0.75000000000000 0.49786336379484 74.922 19 As 0.51662030423885 0.25000000000000 0.50213663620516 74.922 20 As 0.01662030423885 0.25000000000000 0.99786336379484 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.294836000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.443761129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.291077599999999 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 1 2 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 1 4 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 1 5 N 0.25000000000000 0.00000000000000 0.00000000000000 14.007 > 5 6 N 0.75000000000000 0.00000000000000 0.00000000000000 14.007 > 5 7 N 0.25000000000000 0.00000000000000 0.50000000000000 14.007 > 5 8 N 0.75000000000000 0.00000000000000 0.50000000000000 14.007 > 5 9 N 0.25000000000000 0.50000000000000 0.00000000000000 14.007 > 9 10 N 0.75000000000000 0.50000000000000 0.00000000000000 14.007 > 9 11 N 0.25000000000000 0.50000000000000 0.50000000000000 14.007 > 9 12 N 0.75000000000000 0.50000000000000 0.50000000000000 14.007 > 9 13 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 13 14 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 13 15 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 13 16 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 13 17 Ca 0.24728055009449 0.25000000000000 0.01834595193705 40.078 > 17 18 Ca 0.74728055009449 0.25000000000000 0.01834595193705 40.078 > 17 19 Ca 0.24728055009449 0.25000000000000 0.51834595193705 40.078 > 17 20 Ca 0.74728055009449 0.25000000000000 0.51834595193705 40.078 > 17 21 Ca 0.49728055009449 0.25000000000000 0.23165404806295 40.078 > 21 22 Ca 0.99728055009449 0.25000000000000 0.23165404806295 40.078 > 21 23 Ca 0.49728055009449 0.25000000000000 0.73165404806295 40.078 > 21 24 Ca 0.99728055009449 0.25000000000000 0.73165404806295 40.078 > 21 25 Ca 0.00271944990551 0.75000000000000 0.26834595193705 40.078 > 25 26 Ca 0.50271944990551 0.75000000000000 0.26834595193705 40.078 > 25 27 Ca 0.00271944990551 0.75000000000000 0.76834595193705 40.078 > 25 28 Ca 0.50271944990551 0.75000000000000 0.76834595193705 40.078 > 25 29 Ca 0.25271944990551 0.75000000000000 0.48165404806295 40.078 > 29 30 Ca 0.75271944990551 0.75000000000000 0.48165404806295 40.078 > 29 31 Ca 0.25271944990551 0.75000000000000 0.98165404806295 40.078 > 29 32 Ca 0.75271944990551 0.75000000000000 0.98165404806295 40.078 > 29 33 Ca 0.14130466652818 0.01896996129295 0.35870398533706 40.078 > 33 34 Ca 0.64130466652818 0.01896996129295 0.35870398533706 40.078 > 33 35 Ca 0.14130466652818 0.01896996129295 0.85870398533706 40.078 > 33 36 Ca 0.64130466652818 0.01896996129295 0.85870398533706 40.078 > 33 37 Ca 0.39130466652818 0.48103003870705 0.39129601466294 40.078 > 37 38 Ca 0.89130466652818 0.48103003870705 0.39129601466294 40.078 > 37 39 Ca 0.39130466652818 0.48103003870705 0.89129601466294 40.078 > 37 40 Ca 0.89130466652818 0.48103003870705 0.89129601466294 40.078 > 37 41 Ca 0.10869533347182 0.98103003870705 0.10870398533706 40.078 > 41 42 Ca 0.60869533347182 0.98103003870705 0.10870398533706 40.078 > 41 43 Ca 0.10869533347182 0.98103003870705 0.60870398533706 40.078 > 41 44 Ca 0.60869533347182 0.98103003870705 0.60870398533706 40.078 > 41 45 Ca 0.35869533347182 0.51896996129295 0.14129601466294 40.078 > 45 46 Ca 0.85869533347182 0.51896996129295 0.14129601466294 40.078 > 45 47 Ca 0.35869533347182 0.51896996129295 0.64129601466294 40.078 > 45 48 Ca 0.85869533347182 0.51896996129295 0.64129601466294 40.078 > 45 49 Ca 0.35869533347182 0.98103003870705 0.14129601466294 40.078 > 49 50 Ca 0.85869533347182 0.98103003870705 0.14129601466294 40.078 > 49 51 Ca 0.35869533347182 0.98103003870705 0.64129601466294 40.078 > 49 52 Ca 0.85869533347182 0.98103003870705 0.64129601466294 40.078 > 49 53 Ca 0.10869533347182 0.51896996129295 0.10870398533706 40.078 > 53 54 Ca 0.60869533347182 0.51896996129295 0.10870398533706 40.078 > 53 55 Ca 0.10869533347182 0.51896996129295 0.60870398533706 40.078 > 53 56 Ca 0.60869533347182 0.51896996129295 0.60870398533706 40.078 > 53 57 Ca 0.39130466652818 0.01896996129295 0.39129601466294 40.078 > 57 58 Ca 0.89130466652818 0.01896996129295 0.39129601466294 40.078 > 57 59 Ca 0.39130466652818 0.01896996129295 0.89129601466294 40.078 > 57 60 Ca 0.89130466652818 0.01896996129295 0.89129601466294 40.078 > 57 61 Ca 0.14130466652818 0.48103003870705 0.35870398533706 40.078 > 61 62 Ca 0.64130466652818 0.48103003870705 0.35870398533706 40.078 > 61 63 Ca 0.14130466652818 0.48103003870705 0.85870398533706 40.078 > 61 64 Ca 0.64130466652818 0.48103003870705 0.85870398533706 40.078 > 61 65 As 0.49168984788057 0.75000000000000 0.00106831810258 74.922 > 65 66 As 0.99168984788057 0.75000000000000 0.00106831810258 74.922 > 65 67 As 0.49168984788057 0.75000000000000 0.50106831810258 74.922 > 65 68 As 0.99168984788057 0.75000000000000 0.50106831810258 74.922 > 65 69 As 0.24168984788057 0.75000000000000 0.24893168189742 74.922 > 69 70 As 0.74168984788057 0.75000000000000 0.24893168189742 74.922 > 69 71 As 0.24168984788057 0.75000000000000 0.74893168189742 74.922 > 69 72 As 0.74168984788057 0.75000000000000 0.74893168189742 74.922 > 69 73 As 0.25831015211943 0.25000000000000 0.25106831810258 74.922 > 73 74 As 0.75831015211943 0.25000000000000 0.25106831810258 74.922 > 73 75 As 0.25831015211943 0.25000000000000 0.75106831810258 74.922 > 73 76 As 0.75831015211943 0.25000000000000 0.75106831810258 74.922 > 73 77 As 0.00831015211943 0.25000000000000 0.49893168189742 74.922 > 77 78 As 0.50831015211943 0.25000000000000 0.49893168189742 74.922 > 77 79 As 0.00831015211943 0.25000000000000 0.99893168189742 74.922 > 77 80 As 0.50831015211943 0.25000000000000 0.99893168189742 74.922 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3563646 0.0000000 0.0000000 0.0000000 10.7568899 0.0000000 0.0000000 0.0000000 10.1356643 -------------------------- Born effective charges -------------------------- 1 N -4.0604942 -0.0715137 0.3479505 -0.1389592 -4.0525160 -0.1494350 -0.3684075 0.1864705 -4.0083938 2 N -4.0604942 0.0715137 -0.3479505 0.1389592 -4.0525160 -0.1494350 0.3684075 0.1864705 -4.0083938 3 N -4.0604942 -0.0715137 -0.3479505 -0.1389592 -4.0525160 0.1494350 0.3684075 -0.1864705 -4.0083938 4 N -4.0604942 0.0715137 0.3479505 0.1389592 -4.0525160 0.1494350 -0.3684075 -0.1864705 -4.0083938 5 Ca 2.5295570 0.0000000 0.0941223 0.0000000 2.5139897 0.0000000 -0.0314412 0.0000000 2.4670879 6 Ca 2.5295570 0.0000000 -0.0941223 0.0000000 2.5139897 0.0000000 0.0314412 0.0000000 2.4670879 7 Ca 2.5295570 0.0000000 -0.0941223 0.0000000 2.5139897 0.0000000 0.0314412 0.0000000 2.4670879 8 Ca 2.5295570 0.0000000 0.0941223 0.0000000 2.5139897 0.0000000 -0.0314412 0.0000000 2.4670879 9 Ca 2.4355911 -0.0229336 -0.0351947 0.0119469 2.5670982 0.1355183 -0.0325678 0.1027874 2.4373467 10 Ca 2.4355911 0.0229336 0.0351947 -0.0119469 2.5670982 0.1355183 0.0325678 0.1027874 2.4373467 11 Ca 2.4355911 -0.0229336 0.0351947 0.0119469 2.5670982 -0.1355183 0.0325678 -0.1027874 2.4373467 12 Ca 2.4355911 0.0229336 -0.0351947 -0.0119469 2.5670982 -0.1355183 -0.0325678 -0.1027874 2.4373467 13 Ca 2.4355911 -0.0229336 -0.0351947 0.0119469 2.5670982 0.1355183 -0.0325678 0.1027874 2.4373467 14 Ca 2.4355911 0.0229336 0.0351947 -0.0119469 2.5670982 0.1355183 0.0325678 0.1027874 2.4373467 15 Ca 2.4355911 -0.0229336 0.0351947 0.0119469 2.5670982 -0.1355183 0.0325678 -0.1027874 2.4373467 16 Ca 2.4355911 0.0229336 -0.0351947 -0.0119469 2.5670982 -0.1355183 -0.0325678 -0.1027874 2.4373467 17 As -3.3402449 0.0000000 -0.0408752 0.0000000 -3.5956700 0.0000000 -0.0213248 0.0000000 -3.3333876 18 As -3.3402449 0.0000000 0.0408752 0.0000000 -3.5956700 0.0000000 0.0213248 0.0000000 -3.3333876 19 As -3.3402449 0.0000000 0.0408752 0.0000000 -3.5956700 0.0000000 0.0213248 0.0000000 -3.3333876 20 As -3.3402449 0.0000000 -0.0408752 0.0000000 -3.5956700 0.0000000 -0.0213248 0.0000000 -3.3333876 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 319, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.187 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 10.068 ( 0.000 0.000 0.000) 0.000 10.219 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 10.742 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 13.319 ( 0.000 0.000 0.000) 0.000 13.372 ( 0.000 0.000 0.000) 0.000 13.474 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 33.227 0.000 0.000) 33.227 0.719 ( 37.319 0.000 0.000) 37.319 1.084 ( 46.819 0.000 0.000) 46.819 1.274 ( 10.104 0.000 0.000) 10.104 1.422 ( 18.834 0.000 0.000) 18.834 1.823 ( 7.286 0.000 0.000) 7.286 2.050 ( 9.404 0.000 0.000) 9.404 2.449 ( 0.150 0.000 0.000) 0.150 2.557 ( 2.978 0.000 0.000) 2.978 2.688 ( 1.045 0.000 0.000) 1.045 2.952 ( 1.163 0.000 0.000) 1.163 3.046 ( 1.354 0.000 0.000) 1.354 3.075 ( 0.074 0.000 0.000) 0.074 3.095 ( 17.647 0.000 0.000) 17.647 3.617 ( -0.240 0.000 0.000) 0.240 3.680 ( -3.992 0.000 0.000) 3.992 3.754 ( -9.605 0.000 0.000) 9.605 3.771 ( -1.963 0.000 0.000) 1.963 3.790 ( -3.620 0.000 0.000) 3.620 3.977 ( -5.019 0.000 0.000) 5.019 3.993 ( 5.344 0.000 0.000) 5.344 4.020 ( -4.173 0.000 0.000) 4.173 4.188 ( -2.190 0.000 0.000) 2.190 4.198 ( -3.341 0.000 0.000) 3.341 4.443 ( -12.122 0.000 0.000) 12.122 4.493 ( -0.808 0.000 0.000) 0.808 4.655 ( -1.047 0.000 0.000) 1.047 4.730 ( 1.635 0.000 0.000) 1.635 4.846 ( 7.260 0.000 0.000) 7.260 4.921 ( -0.537 0.000 0.000) 0.537 5.161 ( 14.325 0.000 0.000) 14.325 6.081 ( 9.534 0.000 0.000) 9.534 6.328 ( 4.384 0.000 0.000) 4.384 6.358 ( -7.744 0.000 0.000) 7.744 6.379 ( 2.069 0.000 0.000) 2.069 6.388 ( 3.581 0.000 0.000) 3.581 6.394 ( -2.081 0.000 0.000) 2.081 6.444 ( 8.153 0.000 0.000) 8.153 6.544 ( 11.213 0.000 0.000) 11.213 7.223 ( -7.426 0.000 0.000) 7.426 7.397 ( -3.401 0.000 0.000) 3.401 7.591 ( -12.605 0.000 0.000) 12.605 7.737 ( -2.505 0.000 0.000) 2.505 7.754 ( -3.072 0.000 0.000) 3.072 7.867 ( 6.381 0.000 0.000) 6.381 8.552 ( 5.739 0.000 0.000) 5.739 9.926 ( -13.540 0.000 0.000) 13.540 10.336 ( 3.794 0.000 0.000) 3.794 10.344 ( 12.185 0.000 0.000) 12.185 10.617 ( 5.686 0.000 0.000) 5.686 10.700 ( -7.451 0.000 0.000) 7.451 10.788 ( 1.707 0.000 0.000) 1.707 10.812 ( 19.477 0.000 0.000) 19.477 12.568 ( -1.810 0.000 0.000) 1.810 12.972 ( 8.232 0.000 0.000) 8.232 13.249 ( -7.264 0.000 0.000) 7.264 13.250 ( -1.280 0.000 0.000) 1.280 13.271 ( -10.575 0.000 0.000) 10.575 13.436 ( -3.708 0.000 0.000) 3.708 14.489 ( -13.610 0.000 0.000) 13.610 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 23.992 0.000 0.000) 23.992 1.385 ( 32.972 0.000 0.000) 32.972 1.548 ( 16.558 0.000 0.000) 16.558 1.600 ( 23.537 0.000 0.000) 23.537 2.011 ( 12.346 0.000 0.000) 12.346 2.051 ( 27.776 0.000 0.000) 27.776 2.307 ( 18.646 0.000 0.000) 18.646 2.443 ( -1.158 0.000 0.000) 1.158 2.591 ( -1.197 0.000 0.000) 1.197 2.730 ( 4.220 0.000 0.000) 4.220 2.952 ( -2.995 0.000 0.000) 2.995 3.052 ( -1.774 0.000 0.000) 1.774 3.123 ( 7.594 0.000 0.000) 7.594 3.439 ( 13.333 0.000 0.000) 13.333 3.496 ( -15.942 0.000 0.000) 15.942 3.536 ( -12.513 0.000 0.000) 12.513 3.611 ( -0.542 0.000 0.000) 0.542 3.691 ( -3.540 0.000 0.000) 3.540 3.762 ( 2.049 0.000 0.000) 2.049 3.885 ( -5.986 0.000 0.000) 5.986 3.930 ( -0.229 0.000 0.000) 0.229 4.144 ( -2.697 0.000 0.000) 2.697 4.162 ( 15.342 0.000 0.000) 15.342 4.174 ( -14.848 0.000 0.000) 14.848 4.291 ( 8.690 0.000 0.000) 8.690 4.397 ( -7.772 0.000 0.000) 7.772 4.656 ( 0.551 0.000 0.000) 0.551 4.770 ( 2.447 0.000 0.000) 2.447 4.909 ( -0.734 0.000 0.000) 0.734 5.074 ( 16.812 0.000 0.000) 16.812 5.447 ( 15.237 0.000 0.000) 15.237 6.129 ( -16.365 0.000 0.000) 16.365 6.242 ( 2.441 0.000 0.000) 2.441 6.378 ( 4.276 0.000 0.000) 4.276 6.433 ( 6.084 0.000 0.000) 6.084 6.440 ( 4.211 0.000 0.000) 4.211 6.489 ( 7.182 0.000 0.000) 7.182 6.652 ( 13.364 0.000 0.000) 13.364 6.807 ( 15.481 0.000 0.000) 15.481 7.044 ( -10.642 0.000 0.000) 10.642 7.256 ( -22.526 0.000 0.000) 22.526 7.296 ( -7.412 0.000 0.000) 7.412 7.654 ( -7.657 0.000 0.000) 7.657 7.664 ( -5.240 0.000 0.000) 5.240 8.045 ( 12.600 0.000 0.000) 12.600 8.744 ( 14.599 0.000 0.000) 14.599 9.593 ( -21.060 0.000 0.000) 21.060 10.409 ( -19.301 0.000 0.000) 19.301 10.422 ( 5.170 0.000 0.000) 5.170 10.665 ( 21.586 0.000 0.000) 21.586 10.698 ( 0.060 0.000 0.000) 0.060 10.999 ( 19.590 0.000 0.000) 19.590 11.279 ( 28.273 0.000 0.000) 28.273 12.454 ( -11.462 0.000 0.000) 11.462 12.982 ( -19.915 0.000 0.000) 19.915 13.050 ( -13.769 0.000 0.000) 13.769 13.153 ( 9.547 0.000 0.000) 9.547 13.256 ( 2.416 0.000 0.000) 2.416 13.361 ( -3.043 0.000 0.000) 3.043 14.151 ( -20.913 0.000 0.000) 20.913 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 22.783 0.000 0.000) 22.783 1.864 ( 16.683 0.000 0.000) 16.683 1.925 ( 23.176 0.000 0.000) 23.176 2.053 ( 22.233 0.000 0.000) 22.233 2.287 ( 17.519 0.000 0.000) 17.519 2.288 ( 0.755 0.000 0.000) 0.755 2.390 ( -4.949 0.000 0.000) 4.949 2.491 ( -8.805 0.000 0.000) 8.805 2.585 ( 4.425 0.000 0.000) 4.425 2.833 ( 5.617 0.000 0.000) 5.617 2.845 ( -4.548 0.000 0.000) 4.548 2.943 ( -10.575 0.000 0.000) 10.575 3.202 ( -8.010 0.000 0.000) 8.010 3.277 ( -13.116 0.000 0.000) 13.116 3.422 ( 14.875 0.000 0.000) 14.875 3.535 ( 0.577 0.000 0.000) 0.577 3.586 ( -2.278 0.000 0.000) 2.278 3.660 ( -0.396 0.000 0.000) 0.396 3.805 ( -2.657 0.000 0.000) 2.657 3.830 ( 2.847 0.000 0.000) 2.847 3.908 ( -3.375 0.000 0.000) 3.375 3.948 ( -7.935 0.000 0.000) 7.935 4.107 ( -0.466 0.000 0.000) 0.466 4.247 ( -7.345 0.000 0.000) 7.345 4.461 ( 8.711 0.000 0.000) 8.711 4.616 ( 30.128 0.000 0.000) 30.128 4.654 ( -1.255 0.000 0.000) 1.255 4.817 ( 2.435 0.000 0.000) 2.435 4.895 ( -0.376 0.000 0.000) 0.376 5.481 ( 26.002 0.000 0.000) 26.002 5.714 ( 12.777 0.000 0.000) 12.777 5.745 ( -24.336 0.000 0.000) 24.336 6.171 ( -6.318 0.000 0.000) 6.318 6.514 ( -0.663 0.000 0.000) 0.663 6.524 ( 7.276 0.000 0.000) 7.276 6.534 ( 5.708 0.000 0.000) 5.708 6.647 ( 8.467 0.000 0.000) 8.467 6.781 ( -24.798 0.000 0.000) 24.798 6.859 ( -7.612 0.000 0.000) 7.612 6.926 ( 15.374 0.000 0.000) 15.374 7.095 ( 13.794 0.000 0.000) 13.794 7.123 ( -9.923 0.000 0.000) 9.923 7.468 ( -11.961 0.000 0.000) 11.961 7.537 ( -8.425 0.000 0.000) 8.425 8.337 ( 18.295 0.000 0.000) 18.295 9.086 ( 21.251 0.000 0.000) 21.251 9.165 ( -23.777 0.000 0.000) 23.777 9.991 ( -24.362 0.000 0.000) 24.362 10.522 ( 5.308 0.000 0.000) 5.308 10.675 ( -2.339 0.000 0.000) 2.339 11.133 ( 27.337 0.000 0.000) 27.337 11.453 ( 27.508 0.000 0.000) 27.508 11.820 ( 28.183 0.000 0.000) 28.183 12.133 ( -21.999 0.000 0.000) 21.999 12.538 ( -26.641 0.000 0.000) 26.641 12.737 ( -19.456 0.000 0.000) 19.456 13.266 ( 2.664 0.000 0.000) 2.664 13.319 ( 3.052 0.000 0.000) 3.052 13.385 ( 5.457 0.000 0.000) 5.457 13.764 ( -18.548 0.000 0.000) 18.548 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -12.269 0.000 0.000) 12.269 2.020 ( 12.269 0.000 0.000) 12.269 2.236 ( -6.151 0.000 0.000) 6.151 2.236 ( 6.151 0.000 0.000) 6.151 2.241 ( -11.418 0.000 0.000) 11.418 2.241 ( 11.418 0.000 0.000) 11.418 2.456 ( -12.168 0.000 0.000) 12.168 2.456 ( 12.168 0.000 0.000) 12.168 2.652 ( -19.303 0.000 0.000) 19.303 2.652 ( 19.303 0.000 0.000) 19.303 2.882 ( -2.513 0.000 0.000) 2.513 2.882 ( 2.513 0.000 0.000) 2.513 3.115 ( -1.444 0.000 0.000) 1.444 3.115 ( 1.444 0.000 0.000) 1.444 3.546 ( -1.318 0.000 0.000) 1.318 3.546 ( 1.318 0.000 0.000) 1.318 3.636 ( -4.683 0.000 0.000) 4.683 3.636 ( 4.683 0.000 0.000) 4.683 3.812 ( -4.546 0.000 0.000) 4.546 3.812 ( 4.546 0.000 0.000) 4.546 3.867 ( -1.998 0.000 0.000) 1.998 3.867 ( 1.998 0.000 0.000) 1.998 4.140 ( -3.814 0.000 0.000) 3.814 4.140 ( 3.814 0.000 0.000) 3.814 4.595 ( -5.181 0.000 0.000) 5.181 4.595 ( 5.181 0.000 0.000) 5.181 4.856 ( -1.415 0.000 0.000) 1.415 4.856 ( 1.415 0.000 0.000) 1.415 5.225 ( -30.352 0.000 0.000) 30.352 5.225 ( 30.352 0.000 0.000) 30.352 5.877 ( -1.875 0.000 0.000) 1.875 5.877 ( 1.875 0.000 0.000) 1.875 6.175 ( -19.300 0.000 0.000) 19.300 6.175 ( 19.300 0.000 0.000) 19.300 6.611 ( -2.212 0.000 0.000) 2.212 6.611 ( 2.212 0.000 0.000) 2.212 6.651 ( -6.322 0.000 0.000) 6.322 6.651 ( 6.322 0.000 0.000) 6.322 6.910 ( -10.818 0.000 0.000) 10.818 6.910 ( 10.818 0.000 0.000) 10.818 7.214 ( -14.756 0.000 0.000) 14.756 7.214 ( 14.756 0.000 0.000) 14.756 7.346 ( -11.810 0.000 0.000) 11.810 7.346 ( 11.810 0.000 0.000) 11.810 8.724 ( -22.479 0.000 0.000) 22.479 8.724 ( 22.479 0.000 0.000) 22.479 9.523 ( -24.713 0.000 0.000) 24.713 9.523 ( 24.713 0.000 0.000) 24.713 10.613 ( -4.167 0.000 0.000) 4.167 10.613 ( 4.167 0.000 0.000) 4.167 11.658 ( -27.584 0.000 0.000) 27.584 11.658 ( 27.584 0.000 0.000) 27.584 11.997 ( -29.163 0.000 0.000) 29.163 11.997 ( 29.163 0.000 0.000) 29.163 12.324 ( -24.049 0.000 0.000) 24.049 12.324 ( 24.049 0.000 0.000) 24.049 13.325 ( -2.828 0.000 0.000) 2.828 13.325 ( 2.828 0.000 0.000) 2.828 13.506 ( -8.519 0.000 0.000) 8.519 13.506 ( 8.519 0.000 0.000) 8.519 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 36.422 0.000) 36.422 0.809 ( 0.000 36.827 0.000) 36.827 1.259 ( 0.000 47.739 0.000) 47.739 1.458 ( 0.000 22.679 0.000) 22.679 1.516 ( 0.000 21.117 0.000) 21.117 1.763 ( 0.000 1.235 0.000) 1.235 1.982 ( 0.000 6.204 0.000) 6.204 2.442 ( 0.000 -4.117 0.000) 4.117 2.547 ( 0.000 1.837 0.000) 1.837 2.607 ( 0.000 -0.691 0.000) 0.691 2.657 ( 0.000 0.402 0.000) 0.402 2.821 ( 0.000 -15.040 0.000) 15.040 3.001 ( 0.000 -1.017 0.000) 1.017 3.096 ( 0.000 -0.630 0.000) 0.630 3.411 ( 0.000 -18.241 0.000) 18.241 3.504 ( 0.000 1.082 0.000) 1.082 3.671 ( 0.000 -18.981 0.000) 18.981 3.743 ( 0.000 -20.412 0.000) 20.412 3.759 ( 0.000 3.060 0.000) 3.060 3.860 ( 0.000 2.800 0.000) 2.800 3.946 ( 0.000 7.338 0.000) 7.338 4.111 ( 0.000 -11.781 0.000) 11.781 4.120 ( 0.000 -0.695 0.000) 0.695 4.251 ( 0.000 -7.519 0.000) 7.519 4.447 ( 0.000 -8.682 0.000) 8.682 4.581 ( 0.000 -7.864 0.000) 7.864 4.747 ( 0.000 1.534 0.000) 1.534 4.763 ( 0.000 4.454 0.000) 4.454 5.018 ( 0.000 12.435 0.000) 12.435 5.186 ( 0.000 18.677 0.000) 18.677 5.278 ( 0.000 22.041 0.000) 22.041 5.892 ( 0.000 -7.738 0.000) 7.738 6.206 ( 0.000 -7.339 0.000) 7.339 6.331 ( 0.000 -7.830 0.000) 7.830 6.355 ( 0.000 0.057 0.000) 0.057 6.363 ( 0.000 -0.112 0.000) 0.112 6.420 ( 0.000 5.309 0.000) 5.309 6.505 ( 0.000 7.100 0.000) 7.100 6.596 ( 0.000 12.734 0.000) 12.734 7.345 ( 0.000 3.748 0.000) 3.748 7.462 ( 0.000 2.473 0.000) 2.473 7.618 ( 0.000 -8.658 0.000) 8.658 7.626 ( 0.000 -2.492 0.000) 2.492 7.749 ( 0.000 -2.629 0.000) 2.629 7.981 ( 0.000 5.405 0.000) 5.405 8.454 ( 0.000 -4.810 0.000) 4.810 10.038 ( 0.000 1.059 0.000) 1.059 10.252 ( 0.000 2.984 0.000) 2.984 10.270 ( 0.000 2.897 0.000) 2.897 10.523 ( 0.000 -2.576 0.000) 2.576 10.538 ( 0.000 -2.862 0.000) 2.862 10.730 ( 0.000 -8.589 0.000) 8.589 11.064 ( 0.000 27.264 0.000) 27.264 12.885 ( 0.000 9.377 0.000) 9.377 12.927 ( 0.000 3.590 0.000) 3.590 12.971 ( 0.000 2.634 0.000) 2.634 13.234 ( 0.000 -22.005 0.000) 22.005 13.276 ( 0.000 -3.886 0.000) 3.886 13.521 ( 0.000 1.240 0.000) 1.240 14.465 ( 0.000 -14.065 0.000) 14.065 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 17.092 26.835 0.000) 31.816 1.035 ( 19.857 27.243 0.000) 33.711 1.508 ( 6.104 19.936 0.000) 20.849 1.594 ( 9.896 16.681 0.000) 19.396 1.624 ( 26.692 24.717 0.000) 36.379 1.861 ( 10.289 3.623 0.000) 10.908 2.096 ( 14.027 11.038 0.000) 17.849 2.453 ( 0.837 -2.455 0.000) 2.594 2.543 ( 0.009 -1.211 0.000) 1.211 2.683 ( 2.127 0.779 0.000) 2.265 2.799 ( 13.732 -6.686 0.000) 15.273 2.934 ( 5.499 -12.874 0.000) 13.999 3.020 ( 1.671 -0.861 0.000) 1.879 3.140 ( 8.613 -1.398 0.000) 8.726 3.359 ( -5.347 -19.978 0.000) 20.681 3.457 ( -5.507 -1.594 0.000) 5.733 3.636 ( -1.928 -20.488 0.000) 20.578 3.671 ( -4.765 -13.106 0.000) 13.946 3.777 ( -1.117 0.378 0.000) 1.179 3.881 ( 1.479 -0.365 0.000) 1.523 3.966 ( -7.341 -2.953 0.000) 7.913 4.025 ( 3.748 2.818 0.000) 4.689 4.061 ( -4.641 1.349 0.000) 4.833 4.298 ( 0.718 -11.785 0.000) 11.807 4.456 ( 2.714 4.195 0.000) 4.997 4.475 ( -6.656 -3.938 0.000) 7.734 4.755 ( 1.857 2.064 0.000) 2.777 4.895 ( 6.092 9.300 0.000) 11.118 4.903 ( -3.148 11.446 0.000) 11.871 5.203 ( 4.052 10.225 0.000) 10.998 5.256 ( -2.844 21.049 0.000) 21.241 5.974 ( 7.815 -9.793 0.000) 12.529 6.228 ( 1.643 -8.115 0.000) 8.279 6.278 ( -3.248 -8.229 0.000) 8.847 6.422 ( 5.031 0.740 0.000) 5.085 6.441 ( 1.870 5.603 0.000) 5.907 6.443 ( 8.107 -0.113 0.000) 8.107 6.510 ( -4.234 11.588 0.000) 12.338 6.629 ( 8.331 6.631 0.000) 10.648 7.278 ( -6.855 4.664 0.000) 8.291 7.426 ( -4.366 0.997 0.000) 4.478 7.509 ( -10.713 -6.191 0.000) 12.374 7.654 ( 0.304 -4.539 0.000) 4.549 7.724 ( -3.001 -2.752 0.000) 4.071 8.035 ( 5.713 8.555 0.000) 10.288 8.504 ( 6.265 -4.382 0.000) 7.645 9.914 ( -12.144 1.871 0.000) 12.287 10.372 ( 12.061 2.758 0.000) 12.372 10.484 ( 14.249 7.528 0.000) 16.116 10.578 ( -2.495 -5.755 0.000) 6.272 10.672 ( 2.457 -4.981 0.000) 5.554 10.771 ( 22.001 -3.121 0.000) 22.221 11.050 ( -1.343 26.100 0.000) 26.135 12.686 ( -10.390 10.432 0.000) 14.724 12.996 ( 6.598 2.113 0.000) 6.929 13.034 ( -0.995 -4.732 0.000) 4.836 13.148 ( -7.656 -16.140 0.000) 17.864 13.272 ( -1.578 -8.129 0.000) 8.281 13.381 ( -11.671 2.494 0.000) 11.934 14.330 ( -13.717 -14.317 0.000) 19.828 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 21.580 8.273 0.000) 23.111 1.403 ( 17.381 17.032 0.000) 24.335 1.732 ( 17.933 11.576 0.000) 21.345 1.809 ( 13.581 15.080 0.000) 20.294 1.988 ( 13.386 0.581 0.000) 13.399 2.127 ( 13.691 1.484 0.000) 13.771 2.454 ( -1.256 0.190 0.000) 1.270 2.486 ( 19.147 10.611 0.000) 21.890 2.541 ( -1.170 -4.785 0.000) 4.926 2.723 ( 2.288 -0.848 0.000) 2.440 2.885 ( -3.276 -5.253 0.000) 6.191 3.023 ( -3.735 -2.769 0.000) 4.649 3.111 ( 15.889 1.562 0.000) 15.966 3.245 ( -4.538 -18.914 0.000) 19.451 3.304 ( -4.374 -10.429 0.000) 11.309 3.402 ( 7.106 -1.516 0.000) 7.266 3.541 ( -9.352 -10.613 0.000) 14.146 3.608 ( 0.744 -14.177 0.000) 14.197 3.742 ( -1.482 3.809 0.000) 4.087 3.829 ( -3.962 -4.172 0.000) 5.753 3.878 ( -1.889 -3.579 0.000) 4.047 4.017 ( 0.254 4.755 0.000) 4.761 4.212 ( 15.153 3.921 0.000) 15.652 4.284 ( -0.072 -5.266 0.000) 5.267 4.360 ( -5.993 -0.081 0.000) 5.994 4.554 ( 6.952 15.900 0.000) 17.354 4.804 ( 3.240 3.277 0.000) 4.608 4.921 ( -1.564 21.205 0.000) 21.263 4.989 ( 10.535 0.838 0.000) 10.568 5.198 ( -1.552 16.427 0.000) 16.500 5.375 ( 12.289 -4.851 0.000) 13.212 6.113 ( 2.485 -11.550 0.000) 11.815 6.171 ( -11.422 -0.653 0.000) 11.441 6.245 ( 3.010 -10.938 0.000) 11.345 6.415 ( -0.085 2.361 0.000) 2.362 6.519 ( 4.263 6.776 0.000) 8.005 6.542 ( 7.752 3.050 0.000) 8.330 6.647 ( 13.013 -0.489 0.000) 13.022 6.848 ( 13.360 2.340 0.000) 13.563 7.110 ( -10.018 5.898 0.000) 11.625 7.177 ( -21.020 -7.089 0.000) 22.183 7.344 ( -7.579 3.914 0.000) 8.530 7.614 ( -4.230 -5.177 0.000) 6.686 7.627 ( -7.432 -2.526 0.000) 7.849 8.195 ( 11.329 11.336 0.000) 16.026 8.708 ( 15.175 -3.334 0.000) 15.537 9.611 ( -19.399 3.562 0.000) 19.723 10.324 ( -18.887 -8.014 0.000) 20.517 10.689 ( 7.820 20.096 0.000) 21.564 10.691 ( 21.423 2.665 0.000) 21.589 10.917 ( 14.223 5.800 0.000) 15.360 11.040 ( 4.330 16.349 0.000) 16.912 11.264 ( 28.772 -1.479 0.000) 28.810 12.494 ( -12.586 4.238 0.000) 13.280 12.902 ( -14.865 -6.238 0.000) 16.121 12.952 ( -12.352 -12.790 0.000) 17.781 13.142 ( 6.313 -0.886 0.000) 6.374 13.198 ( -4.138 -2.413 0.000) 4.790 13.229 ( -1.322 -8.308 0.000) 8.413 13.991 ( -20.819 -14.392 0.000) 25.309 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 16.658 6.963 0.000) 18.055 1.763 ( 19.883 -2.089 0.000) 19.993 2.072 ( 12.907 7.324 0.000) 14.840 2.102 ( 18.800 4.529 0.000) 19.337 2.210 ( 7.710 -3.996 0.000) 8.684 2.307 ( 7.192 1.691 0.000) 7.388 2.384 ( -6.770 -1.944 0.000) 7.044 2.471 ( -5.968 -1.651 0.000) 6.192 2.600 ( -4.150 -4.244 0.000) 5.936 2.768 ( -0.094 -5.793 0.000) 5.794 2.828 ( -1.430 -1.769 0.000) 2.275 2.849 ( -10.699 -8.560 0.000) 13.702 3.174 ( -3.826 -1.487 0.000) 4.105 3.218 ( -1.143 -4.854 0.000) 4.986 3.371 ( -6.345 -7.911 0.000) 10.141 3.379 ( -0.161 -4.914 0.000) 4.917 3.533 ( 14.104 3.810 0.000) 14.610 3.709 ( 7.890 -6.437 0.000) 10.183 3.720 ( -1.300 0.657 0.000) 1.457 3.808 ( 1.315 -1.571 0.000) 2.049 3.834 ( -2.310 -2.802 0.000) 3.631 4.035 ( 0.515 5.343 0.000) 5.368 4.222 ( -3.215 -3.503 0.000) 4.755 4.239 ( -6.689 3.446 0.000) 7.524 4.650 ( 16.622 13.894 0.000) 21.665 4.730 ( 20.333 12.757 0.000) 24.004 4.855 ( -0.360 12.710 0.000) 12.715 4.897 ( 1.558 13.997 0.000) 14.084 5.060 ( -2.510 12.746 0.000) 12.991 5.428 ( 24.612 -3.622 0.000) 24.877 5.608 ( 11.681 -8.967 0.000) 14.726 5.826 ( -23.605 6.106 0.000) 24.381 6.048 ( -5.747 -10.557 0.000) 12.020 6.381 ( 7.653 -12.848 0.000) 14.955 6.436 ( -1.483 -6.575 0.000) 6.740 6.603 ( 2.092 4.747 0.000) 5.187 6.707 ( 8.880 4.431 0.000) 9.924 6.725 ( -21.927 -3.865 0.000) 22.265 6.906 ( 9.825 -0.023 0.000) 9.825 6.942 ( -2.415 5.436 0.000) 5.948 7.102 ( 12.878 -0.729 0.000) 12.899 7.172 ( -10.503 4.285 0.000) 11.344 7.446 ( -11.593 -2.071 0.000) 11.777 7.502 ( -7.609 -4.563 0.000) 8.872 8.458 ( 16.533 10.797 0.000) 19.747 9.053 ( 20.885 -3.235 0.000) 21.134 9.215 ( -21.962 5.841 0.000) 22.725 9.920 ( -23.259 -6.693 0.000) 24.203 10.804 ( 4.894 23.950 0.000) 24.445 10.943 ( -2.344 23.467 0.000) 23.583 11.163 ( 27.088 2.839 0.000) 27.236 11.422 ( 27.276 -2.682 0.000) 27.407 11.804 ( 27.644 -1.725 0.000) 27.698 12.166 ( -22.152 3.015 0.000) 22.356 12.500 ( -25.914 -3.539 0.000) 26.154 12.672 ( -17.506 -8.007 0.000) 19.251 13.172 ( 0.811 -7.731 0.000) 7.773 13.213 ( 2.956 -8.110 0.000) 8.632 13.295 ( 4.764 -6.618 0.000) 8.154 13.610 ( -18.012 -13.648 0.000) 22.599 ======================= Grid point 13 (10/75) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -7.061 -2.100 0.000) 7.367 1.992 ( 7.061 -2.100 0.000) 7.367 2.166 ( -8.162 -3.866 0.000) 9.032 2.166 ( 8.162 -3.866 0.000) 9.032 2.328 ( -8.777 3.647 0.000) 9.504 2.328 ( 8.777 3.647 0.000) 9.504 2.438 ( -12.184 -1.629 0.000) 12.292 2.438 ( 12.184 -1.629 0.000) 12.292 2.542 ( -15.190 -5.357 0.000) 16.107 2.542 ( 15.190 -5.357 0.000) 16.107 2.827 ( -0.092 -5.585 0.000) 5.586 2.827 ( 0.092 -5.585 0.000) 5.586 3.158 ( -2.486 2.785 0.000) 3.733 3.158 ( 2.486 2.785 0.000) 3.733 3.346 ( -1.664 -9.042 0.000) 9.194 3.346 ( 1.664 -9.042 0.000) 9.194 3.679 ( -3.409 -1.770 0.000) 3.841 3.679 ( 3.409 -1.770 0.000) 3.841 3.798 ( -1.654 -2.039 0.000) 2.626 3.798 ( 1.654 -2.039 0.000) 2.626 3.956 ( -10.181 6.090 0.000) 11.863 3.956 ( 10.181 6.090 0.000) 11.863 4.172 ( -0.932 1.334 0.000) 1.627 4.172 ( 0.932 1.334 0.000) 1.627 4.792 ( -5.022 18.849 0.000) 19.506 4.792 ( 5.022 18.849 0.000) 19.506 4.964 ( -3.575 9.673 0.000) 10.313 4.964 ( 3.575 9.673 0.000) 10.313 5.313 ( -29.671 7.595 0.000) 30.627 5.313 ( 29.671 7.595 0.000) 30.627 5.773 ( -1.210 -9.291 0.000) 9.370 5.773 ( 1.210 -9.291 0.000) 9.370 6.105 ( -22.601 -5.877 0.000) 23.353 6.105 ( 22.601 -5.877 0.000) 23.353 6.487 ( -3.705 -11.134 0.000) 11.734 6.487 ( 3.705 -11.134 0.000) 11.734 6.733 ( -5.575 7.184 0.000) 9.093 6.733 ( 5.575 7.184 0.000) 9.093 6.966 ( -10.324 4.548 0.000) 11.282 6.966 ( 10.324 4.548 0.000) 11.282 7.193 ( -13.777 -1.967 0.000) 13.917 7.193 ( 13.777 -1.967 0.000) 13.917 7.332 ( -10.061 -2.709 0.000) 10.419 7.332 ( 10.061 -2.709 0.000) 10.419 8.810 ( -20.534 8.500 0.000) 22.224 8.810 ( 20.534 8.500 0.000) 22.224 9.475 ( -23.544 -4.681 0.000) 24.005 9.475 ( 23.544 -4.681 0.000) 24.005 10.884 ( -3.726 23.800 0.000) 24.090 10.884 ( 3.726 23.800 0.000) 24.090 11.688 ( -27.674 2.740 0.000) 27.809 11.688 ( 27.674 2.740 0.000) 27.809 11.963 ( -28.817 -3.092 0.000) 28.983 11.963 ( 28.817 -3.092 0.000) 28.983 12.292 ( -22.486 -3.786 0.000) 22.802 12.292 ( 22.486 -3.786 0.000) 22.802 13.225 ( -2.996 -8.500 0.000) 9.012 13.225 ( 2.996 -8.500 0.000) 9.012 13.375 ( -6.061 -10.975 0.000) 12.538 13.375 ( 6.061 -10.975 0.000) 12.538 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 24.884 0.000) 24.884 1.529 ( 0.000 30.230 0.000) 30.230 1.734 ( 0.000 -1.984 0.000) 1.984 1.825 ( 0.000 6.048 0.000) 6.048 1.871 ( 0.000 15.239 0.000) 15.239 1.938 ( 0.000 7.379 0.000) 7.379 2.265 ( 0.000 1.708 0.000) 1.708 2.367 ( 0.000 -2.026 0.000) 2.026 2.512 ( 0.000 -10.240 0.000) 10.240 2.566 ( 0.000 -3.215 0.000) 3.215 2.701 ( 0.000 1.548 0.000) 1.548 2.738 ( 0.000 32.504 0.000) 32.504 2.895 ( 0.000 -24.701 0.000) 24.701 3.079 ( 0.000 9.384 0.000) 9.384 3.085 ( 0.000 1.029 0.000) 1.029 3.215 ( 0.000 -14.700 0.000) 14.700 3.356 ( 0.000 -15.589 0.000) 15.589 3.439 ( 0.000 -21.127 0.000) 21.127 3.835 ( 0.000 3.727 0.000) 3.727 3.891 ( 0.000 -0.046 0.000) 0.046 3.895 ( 0.000 -1.157 0.000) 1.157 4.032 ( 0.000 -7.498 0.000) 7.498 4.140 ( 0.000 5.657 0.000) 5.657 4.184 ( 0.000 6.979 0.000) 6.979 4.291 ( 0.000 -7.044 0.000) 7.044 4.380 ( 0.000 -10.342 0.000) 10.342 4.775 ( 0.000 1.099 0.000) 1.099 4.790 ( 0.000 -0.198 0.000) 0.198 5.336 ( 0.000 16.204 0.000) 16.204 5.617 ( 0.000 19.602 0.000) 19.602 5.660 ( 0.000 -13.581 0.000) 13.581 5.729 ( 0.000 19.550 0.000) 19.550 5.977 ( 0.000 -14.124 0.000) 14.124 6.093 ( 0.000 -14.454 0.000) 14.454 6.357 ( 0.000 0.119 0.000) 0.119 6.360 ( 0.000 -0.152 0.000) 0.152 6.548 ( 0.000 5.680 0.000) 5.680 6.608 ( 0.000 1.050 0.000) 1.050 6.940 ( 0.000 18.327 0.000) 18.327 7.317 ( 0.000 -15.987 0.000) 15.987 7.444 ( 0.000 5.226 0.000) 5.226 7.550 ( 0.000 -4.493 0.000) 4.493 7.570 ( 0.000 4.355 0.000) 4.355 7.670 ( 0.000 -4.556 0.000) 4.556 8.133 ( 0.000 8.409 0.000) 8.409 8.313 ( 0.000 -8.057 0.000) 8.057 10.184 ( 0.000 12.026 0.000) 12.026 10.337 ( 0.000 4.781 0.000) 4.781 10.353 ( 0.000 4.686 0.000) 4.686 10.442 ( 0.000 -4.718 0.000) 4.718 10.456 ( 0.000 -4.667 0.000) 4.667 10.480 ( 0.000 -14.160 0.000) 14.160 11.778 ( 0.000 38.203 0.000) 38.203 12.594 ( 0.000 -36.530 0.000) 36.530 13.033 ( 0.000 5.967 0.000) 5.967 13.039 ( 0.000 3.117 0.000) 3.117 13.054 ( 0.000 3.504 0.000) 3.504 13.166 ( 0.000 -6.155 0.000) 6.155 13.662 ( 0.000 14.251 0.000) 14.251 14.072 ( 0.000 -21.363 0.000) 21.363 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 7.723 24.723 0.000) 25.901 1.634 ( 10.223 26.845 0.000) 28.726 1.796 ( 7.185 0.293 0.000) 7.191 1.889 ( 7.317 5.057 0.000) 8.895 1.960 ( 1.999 11.979 0.000) 12.145 1.987 ( 10.646 9.518 0.000) 14.281 2.279 ( 1.706 -3.759 0.000) 4.128 2.405 ( 1.646 -1.405 0.000) 2.164 2.532 ( -3.537 -4.663 0.000) 5.853 2.600 ( 8.355 -12.659 0.000) 15.168 2.703 ( -0.071 0.321 0.000) 0.329 2.853 ( -4.080 -21.418 0.000) 21.803 2.929 ( 19.075 23.264 0.000) 30.084 3.096 ( 1.722 8.410 0.000) 8.585 3.118 ( 3.925 1.353 0.000) 4.151 3.232 ( 1.406 -13.372 0.000) 13.446 3.345 ( -1.094 -14.155 0.000) 14.197 3.420 ( -0.371 -11.206 0.000) 11.212 3.829 ( -0.783 3.002 0.000) 3.103 3.834 ( -4.904 -0.165 0.000) 4.907 3.883 ( -1.582 -1.564 0.000) 2.225 4.002 ( -2.268 -11.737 0.000) 11.954 4.168 ( -1.076 7.809 0.000) 7.883 4.218 ( 7.968 7.987 0.000) 11.282 4.344 ( -2.849 -7.854 0.000) 8.354 4.386 ( 9.382 -6.974 0.000) 11.690 4.810 ( 3.882 3.118 0.000) 4.979 4.887 ( 8.712 -3.992 0.000) 9.583 5.275 ( -3.884 20.093 0.000) 20.464 5.598 ( -1.801 20.614 0.000) 20.692 5.671 ( -1.184 -2.897 0.000) 3.130 5.698 ( -0.415 4.549 0.000) 4.568 5.982 ( 0.295 -15.112 0.000) 15.115 6.040 ( -4.561 -14.146 0.000) 14.864 6.433 ( 7.056 0.356 0.000) 7.065 6.439 ( 7.844 -0.229 0.000) 7.848 6.581 ( 3.273 6.527 0.000) 7.302 6.663 ( 5.121 0.135 0.000) 5.123 6.875 ( -6.365 16.766 0.000) 17.933 7.227 ( -9.445 -15.139 0.000) 17.844 7.402 ( -4.826 6.623 0.000) 8.195 7.540 ( -3.255 4.767 0.000) 5.772 7.541 ( -2.124 -6.147 0.000) 6.503 7.644 ( -2.998 -4.628 0.000) 5.514 8.209 ( 8.322 8.181 0.000) 11.670 8.377 ( 7.564 -7.339 0.000) 10.540 10.069 ( -11.205 12.143 0.000) 16.523 10.361 ( -10.496 -13.641 0.000) 17.211 10.455 ( 11.759 4.749 0.000) 12.682 10.562 ( 10.960 -5.189 0.000) 12.126 10.605 ( 22.854 4.623 0.000) 23.316 10.695 ( 23.162 -3.967 0.000) 23.499 11.748 ( -3.001 37.564 0.000) 37.683 12.548 ( -4.643 -35.617 0.000) 35.919 12.910 ( -11.382 7.966 0.000) 13.892 13.001 ( -7.252 -1.220 0.000) 7.354 13.067 ( 3.246 4.046 0.000) 5.187 13.162 ( -0.595 -4.634 0.000) 4.672 13.523 ( -13.127 13.746 0.000) 19.007 13.931 ( -14.055 -21.634 0.000) 25.799 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 5.603 19.848 0.000) 20.624 1.843 ( 8.952 21.948 0.000) 23.704 1.978 ( 9.103 -3.640 0.000) 9.804 2.022 ( 6.319 12.476 0.000) 13.985 2.061 ( 9.944 6.008 0.000) 11.618 2.202 ( 10.549 2.109 0.000) 10.758 2.335 ( 3.887 -10.047 0.000) 10.773 2.423 ( 1.743 -1.962 0.000) 2.624 2.429 ( -7.371 -9.035 0.000) 11.660 2.692 ( -0.945 -1.387 0.000) 1.679 2.710 ( 1.580 -15.194 0.000) 15.276 2.760 ( -5.459 -12.315 0.000) 13.471 3.138 ( 2.562 5.612 0.000) 6.170 3.172 ( 0.551 0.242 0.000) 0.602 3.269 ( 1.745 -8.898 0.000) 9.068 3.313 ( -2.339 -10.072 0.000) 10.340 3.368 ( 23.897 14.655 0.000) 28.033 3.488 ( 6.752 1.811 0.000) 6.990 3.758 ( -1.528 1.214 0.000) 1.952 3.797 ( -2.780 1.851 0.000) 3.340 3.833 ( -3.337 -1.659 0.000) 3.727 3.996 ( 2.673 -15.247 0.000) 15.479 4.160 ( 0.014 7.269 0.000) 7.269 4.293 ( -2.673 -5.033 0.000) 5.698 4.445 ( 17.351 10.497 0.000) 20.279 4.639 ( 17.861 -6.460 0.000) 18.993 4.910 ( 6.582 6.822 0.000) 9.479 5.076 ( 10.669 -7.173 0.000) 12.856 5.260 ( 2.604 22.915 0.000) 23.062 5.556 ( -2.529 21.345 0.000) 21.494 5.574 ( -6.293 15.870 0.000) 17.072 5.771 ( 4.746 -18.767 0.000) 19.358 5.955 ( -3.155 -15.697 0.000) 16.011 5.972 ( -2.087 -16.060 0.000) 16.195 6.596 ( 10.022 2.046 0.000) 10.229 6.603 ( -8.414 11.586 0.000) 14.319 6.630 ( 11.917 -1.151 0.000) 11.973 6.693 ( 0.948 7.628 0.000) 7.687 6.843 ( 5.558 -2.389 0.000) 6.050 6.974 ( -15.696 -11.113 0.000) 19.232 7.272 ( -8.228 8.814 0.000) 12.058 7.444 ( -7.000 5.215 0.000) 8.730 7.462 ( -5.780 -8.605 0.000) 10.366 7.550 ( -7.031 -4.524 0.000) 8.361 8.428 ( 14.185 9.834 0.000) 17.261 8.603 ( 15.764 -6.618 0.000) 17.096 9.789 ( -17.830 12.688 0.000) 21.884 10.086 ( -17.991 -13.775 0.000) 22.659 10.769 ( 21.358 4.455 0.000) 21.818 10.868 ( 21.060 -4.460 0.000) 21.527 11.053 ( 21.691 11.924 0.000) 24.752 11.209 ( 28.796 -4.125 0.000) 29.090 11.677 ( -4.220 35.875 0.000) 36.122 12.434 ( -7.089 -33.062 0.000) 33.814 12.640 ( -17.064 8.311 0.000) 18.980 12.782 ( -15.966 -5.213 0.000) 16.795 13.127 ( 0.820 -0.321 0.000) 0.881 13.138 ( -0.496 -1.615 0.000) 1.689 13.253 ( -13.233 9.454 0.000) 16.263 13.599 ( -19.455 -20.464 0.000) 28.236 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 8.010 8.382 0.000) 11.594 1.928 ( 2.363 12.756 0.000) 12.973 2.047 ( -1.082 -9.285 0.000) 9.348 2.197 ( 3.466 -5.580 0.000) 6.569 2.253 ( 9.535 6.624 0.000) 11.611 2.269 ( -2.223 0.720 0.000) 2.337 2.369 ( 7.634 -0.485 0.000) 7.649 2.406 ( 1.952 -5.702 0.000) 6.027 2.486 ( 2.979 1.458 0.000) 3.317 2.648 ( -5.962 -2.740 0.000) 6.562 2.679 ( -0.839 -5.119 0.000) 5.187 2.684 ( -2.616 -10.975 0.000) 11.283 3.177 ( 0.553 2.038 0.000) 2.112 3.185 ( 2.333 2.004 0.000) 3.076 3.259 ( -3.183 -4.242 0.000) 5.303 3.264 ( -1.524 -5.698 0.000) 5.898 3.582 ( 3.741 2.842 0.000) 4.698 3.669 ( 5.174 -3.467 0.000) 6.228 3.731 ( -3.922 0.930 0.000) 4.031 3.771 ( -3.121 -2.788 0.000) 4.185 3.860 ( 12.929 9.718 0.000) 16.174 4.082 ( 4.915 -9.349 0.000) 10.562 4.153 ( -1.213 4.992 0.000) 5.138 4.232 ( -4.013 -2.470 0.000) 4.712 4.891 ( 28.311 10.396 0.000) 30.159 5.035 ( 21.444 2.151 0.000) 21.551 5.050 ( 8.009 10.793 0.000) 13.440 5.264 ( 8.302 -2.174 0.000) 8.582 5.322 ( 0.137 15.832 0.000) 15.832 5.500 ( 1.828 11.083 0.000) 11.233 5.505 ( -2.495 13.944 0.000) 14.166 5.780 ( -1.288 -11.314 0.000) 11.387 5.852 ( -12.614 -8.860 0.000) 15.415 6.009 ( 7.752 -20.883 0.000) 22.275 6.349 ( -14.511 2.761 0.000) 14.771 6.516 ( -23.388 -9.511 0.000) 25.248 6.801 ( 11.334 4.076 0.000) 12.045 6.824 ( 5.085 9.661 0.000) 10.918 6.872 ( 13.338 -2.553 0.000) 13.580 7.017 ( 8.577 -7.350 0.000) 11.295 7.120 ( -7.278 10.074 0.000) 12.428 7.279 ( -10.211 5.289 0.000) 11.500 7.339 ( -7.030 -9.911 0.000) 12.151 7.381 ( -10.800 -4.045 0.000) 11.533 8.722 ( 16.850 12.327 0.000) 20.878 8.939 ( 19.363 -7.786 0.000) 20.870 9.427 ( -19.934 13.266 0.000) 23.945 9.713 ( -20.920 -12.455 0.000) 24.347 11.236 ( 27.436 4.469 0.000) 27.798 11.330 ( 27.012 -3.595 0.000) 27.250 11.362 ( 11.161 24.264 0.000) 26.708 11.599 ( -3.667 33.110 0.000) 33.312 11.711 ( 23.394 -8.727 0.000) 24.969 12.261 ( -23.432 5.999 0.000) 24.187 12.286 ( -8.819 -28.191 0.000) 29.539 12.397 ( -24.632 -5.974 0.000) 25.346 13.077 ( -2.791 0.427 0.000) 2.824 13.094 ( -3.308 -0.226 0.000) 3.316 13.156 ( -0.295 -5.931 0.000) 5.938 13.269 ( -13.956 -15.441 0.000) 20.813 ======================= Grid point 22 (15/75) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.264 0.606 0.000) 0.661 1.967 ( 0.264 0.606 0.000) 0.661 2.042 ( -7.155 -6.225 0.000) 9.484 2.042 ( 7.155 -6.225 0.000) 9.484 2.385 ( -3.774 2.257 0.000) 4.397 2.385 ( 3.774 2.257 0.000) 4.397 2.420 ( -6.054 -0.651 0.000) 6.089 2.420 ( 6.054 -0.651 0.000) 6.089 2.528 ( -6.004 3.726 0.000) 7.067 2.528 ( 6.004 3.726 0.000) 7.067 2.669 ( -0.550 -8.292 0.000) 8.311 2.669 ( 0.550 -8.292 0.000) 8.311 3.200 ( -1.849 1.162 0.000) 2.184 3.200 ( 1.849 1.162 0.000) 2.184 3.231 ( -1.636 -2.399 0.000) 2.904 3.231 ( 1.636 -2.399 0.000) 2.904 3.655 ( -4.069 0.875 0.000) 4.162 3.655 ( 4.069 0.875 0.000) 4.162 3.720 ( -2.265 -4.419 0.000) 4.965 3.720 ( 2.265 -4.419 0.000) 4.965 4.075 ( -8.219 4.933 0.000) 9.586 4.075 ( 8.219 4.933 0.000) 9.586 4.157 ( -3.396 -2.597 0.000) 4.275 4.157 ( 3.396 -2.597 0.000) 4.275 5.198 ( -6.856 14.983 0.000) 16.477 5.198 ( 6.856 14.983 0.000) 16.477 5.291 ( -7.831 19.195 0.000) 20.731 5.291 ( 7.831 19.195 0.000) 20.731 5.476 ( -24.594 4.128 0.000) 24.938 5.476 ( 24.594 4.128 0.000) 24.938 5.519 ( -3.318 -13.323 0.000) 13.730 5.519 ( 3.318 -13.323 0.000) 13.730 5.989 ( -23.425 -1.823 0.000) 23.496 5.989 ( 23.425 -1.823 0.000) 23.496 6.176 ( -10.237 -16.266 0.000) 19.219 6.176 ( 10.237 -16.266 0.000) 19.219 6.926 ( -3.344 10.089 0.000) 10.628 6.926 ( 3.344 10.089 0.000) 10.628 7.065 ( -8.391 2.760 0.000) 8.833 7.065 ( 8.391 2.760 0.000) 8.833 7.129 ( -8.373 -3.102 0.000) 8.929 7.129 ( 8.373 -3.102 0.000) 8.929 7.214 ( -2.973 -7.077 0.000) 7.676 7.214 ( 2.973 -7.077 0.000) 7.676 9.059 ( -18.907 13.442 0.000) 23.198 9.059 ( 18.907 13.442 0.000) 23.198 9.318 ( -20.810 -10.157 0.000) 23.156 9.318 ( 20.810 -10.157 0.000) 23.156 11.504 ( -4.886 31.329 0.000) 31.707 11.504 ( 4.886 31.329 0.000) 31.707 11.768 ( -28.021 4.500 0.000) 28.380 11.768 ( 28.021 4.500 0.000) 28.380 11.876 ( -27.426 -4.714 0.000) 27.828 11.876 ( 27.426 -4.714 0.000) 27.828 12.080 ( -13.224 -18.628 0.000) 22.844 12.080 ( 13.224 -18.628 0.000) 22.844 13.063 ( -1.651 -3.412 0.000) 3.790 13.063 ( 1.651 -3.412 0.000) 3.790 13.137 ( -0.147 -9.199 0.000) 9.200 13.137 ( 0.147 -9.199 0.000) 9.200 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 0.000 34.813) 34.813 0.716 ( 0.000 0.000 37.184) 37.184 1.119 ( 0.000 0.000 52.352) 52.352 1.309 ( 0.000 0.000 12.863) 12.863 1.339 ( 0.000 0.000 8.202) 8.202 1.815 ( 0.000 0.000 6.548) 6.548 2.004 ( 0.000 0.000 4.819) 4.819 2.512 ( 0.000 0.000 5.881) 5.881 2.619 ( 0.000 0.000 0.620) 0.620 2.655 ( 0.000 0.000 -2.139) 2.139 2.845 ( 0.000 0.000 2.498) 2.498 2.909 ( 0.000 0.000 -0.700) 0.700 3.082 ( 0.000 0.000 0.547) 0.547 3.193 ( 0.000 0.000 17.013) 17.013 3.458 ( 0.000 0.000 -1.744) 1.744 3.570 ( 0.000 0.000 -4.586) 4.586 3.674 ( 0.000 0.000 -4.666) 4.666 3.720 ( 0.000 0.000 -10.811) 10.811 3.857 ( 0.000 0.000 -7.192) 7.192 3.879 ( 0.000 0.000 -16.637) 16.637 3.904 ( 0.000 0.000 5.448) 5.448 4.087 ( 0.000 0.000 2.026) 2.026 4.095 ( 0.000 0.000 -11.948) 11.948 4.484 ( 0.000 0.000 8.029) 8.029 4.568 ( 0.000 0.000 -0.205) 0.205 4.641 ( 0.000 0.000 -0.362) 0.362 4.709 ( 0.000 0.000 2.421) 2.421 4.730 ( 0.000 0.000 1.753) 1.753 4.803 ( 0.000 0.000 12.333) 12.333 4.832 ( 0.000 0.000 -8.778) 8.778 5.130 ( 0.000 0.000 8.766) 8.766 6.070 ( 0.000 0.000 7.397) 7.397 6.282 ( 0.000 0.000 0.981) 0.981 6.330 ( 0.000 0.000 -5.535) 5.535 6.385 ( 0.000 0.000 3.269) 3.269 6.426 ( 0.000 0.000 -0.345) 0.345 6.438 ( 0.000 0.000 7.529) 7.529 6.461 ( 0.000 0.000 4.668) 4.668 6.531 ( 0.000 0.000 11.845) 11.845 7.271 ( 0.000 0.000 -2.714) 2.714 7.343 ( 0.000 0.000 -8.534) 8.534 7.581 ( 0.000 0.000 -11.180) 11.180 7.640 ( 0.000 0.000 -4.388) 4.388 7.738 ( 0.000 0.000 -2.338) 2.338 7.997 ( 0.000 0.000 5.712) 5.712 8.561 ( 0.000 0.000 6.453) 6.453 9.935 ( 0.000 0.000 -12.798) 12.798 10.325 ( 0.000 0.000 2.939) 2.939 10.361 ( 0.000 0.000 11.944) 11.944 10.682 ( 0.000 0.000 -0.352) 0.352 10.698 ( 0.000 0.000 6.652) 6.652 10.754 ( 0.000 0.000 0.149) 0.149 10.793 ( 0.000 0.000 13.676) 13.676 12.505 ( 0.000 0.000 -1.882) 1.882 13.023 ( 0.000 0.000 7.943) 7.943 13.119 ( 0.000 0.000 -2.526) 2.526 13.221 ( 0.000 0.000 -10.308) 10.308 13.302 ( 0.000 0.000 -7.370) 7.370 13.562 ( 0.000 0.000 -2.442) 2.442 14.485 ( 0.000 0.000 -13.741) 13.741 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 22.301 0.000 20.105) 30.026 0.997 ( 25.077 0.000 24.871) 35.319 1.103 ( -2.637 0.000 3.464) 4.354 1.543 ( 14.989 0.000 12.367) 19.432 1.644 ( 35.418 0.000 34.365) 49.350 1.902 ( 8.668 0.000 7.935) 11.751 2.103 ( 10.200 0.000 5.166) 11.433 2.516 ( 0.352 0.000 6.126) 6.136 2.614 ( -1.642 0.000 1.322) 2.108 2.675 ( 3.858 0.000 -0.104) 3.860 2.942 ( 6.425 0.000 -1.511) 6.600 3.019 ( -4.073 0.000 -0.759) 4.143 3.078 ( 16.131 0.000 -1.219) 16.177 3.199 ( 0.573 0.000 15.057) 15.068 3.417 ( -9.012 0.000 -16.680) 18.959 3.565 ( -0.453 0.000 -4.545) 4.567 3.679 ( 1.901 0.000 -3.953) 4.386 3.699 ( -2.087 0.000 -5.985) 6.339 3.775 ( -5.144 0.000 -4.172) 6.623 3.794 ( -3.377 0.000 -10.526) 11.054 3.995 ( 6.826 0.000 2.480) 7.263 4.065 ( -1.220 0.000 -2.914) 3.159 4.216 ( -1.170 0.000 2.408) 2.677 4.439 ( -11.433 0.000 -0.675) 11.453 4.439 ( -2.797 0.000 6.697) 7.258 4.620 ( -3.876 0.000 10.549) 11.239 4.699 ( 4.006 0.000 2.195) 4.568 4.745 ( 1.515 0.000 1.512) 2.140 4.839 ( 5.690 0.000 4.685) 7.371 4.868 ( 2.378 0.000 -4.833) 5.386 5.199 ( 6.556 0.000 4.351) 7.868 6.162 ( 0.111 0.000 -6.641) 6.642 6.249 ( 6.341 0.000 11.461) 13.098 6.303 ( -5.455 0.000 -7.304) 9.116 6.361 ( -1.451 0.000 0.468) 1.525 6.441 ( 3.519 0.000 4.099) 5.403 6.510 ( 7.313 0.000 7.007) 10.128 6.559 ( 7.986 0.000 10.207) 12.960 6.632 ( 9.630 0.000 9.124) 13.266 7.180 ( -8.663 0.000 -4.669) 9.841 7.304 ( -4.049 0.000 -8.386) 9.312 7.490 ( -11.263 0.000 -11.430) 16.047 7.640 ( 0.377 0.000 -5.957) 5.969 7.716 ( -2.353 0.000 -2.207) 3.226 7.961 ( 0.192 0.000 6.835) 6.838 8.668 ( 10.508 0.000 11.184) 15.346 9.793 ( -13.580 0.000 -12.793) 18.657 10.296 ( 2.460 0.000 2.869) 3.779 10.349 ( 2.678 0.000 1.565) 3.102 10.572 ( -4.709 0.000 -2.728) 5.442 10.654 ( -4.223 0.000 -2.809) 5.072 10.744 ( 0.247 0.000 -1.370) 1.392 11.099 ( 23.251 0.000 22.432) 32.308 12.670 ( -9.355 0.000 -15.539) 18.138 12.841 ( 12.239 0.000 15.343) 19.627 13.054 ( -14.577 0.000 -15.136) 21.014 13.300 ( -3.069 0.000 -2.348) 3.864 13.321 ( 6.025 0.000 1.245) 6.153 13.537 ( -0.806 0.000 6.294) 6.345 14.362 ( -12.616 0.000 -12.910) 18.051 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 9.509 0.000 -11.595) 14.996 1.403 ( 24.664 0.000 6.144) 25.418 1.517 ( 28.137 0.000 13.134) 31.052 1.857 ( 18.158 0.000 12.342) 21.956 2.115 ( 13.356 0.000 10.286) 16.858 2.214 ( 17.540 0.000 15.248) 23.241 2.409 ( 21.467 0.000 9.300) 23.395 2.516 ( -0.715 0.000 6.890) 6.927 2.546 ( -6.441 0.000 -5.881) 8.722 2.760 ( 3.496 0.000 0.222) 3.503 2.928 ( -4.117 0.000 -1.390) 4.345 3.078 ( 5.762 0.000 -2.416) 6.248 3.167 ( -3.701 0.000 11.683) 12.255 3.250 ( -2.082 0.000 -7.833) 8.105 3.419 ( 13.554 0.000 -2.208) 13.732 3.566 ( 1.470 0.000 -3.718) 3.998 3.621 ( -6.885 0.000 -3.844) 7.885 3.667 ( -1.162 0.000 -2.112) 2.410 3.690 ( -2.756 0.000 -7.634) 8.116 3.829 ( 4.855 0.000 -7.281) 8.751 4.013 ( -4.309 0.000 -8.467) 9.501 4.032 ( -13.441 0.000 15.143) 20.248 4.181 ( 6.281 0.000 3.724) 7.303 4.217 ( -2.199 0.000 2.596) 3.402 4.426 ( -2.800 0.000 6.076) 6.690 4.550 ( 0.276 0.000 13.085) 13.088 4.770 ( 3.052 0.000 8.531) 9.061 4.784 ( 2.570 0.000 1.593) 3.024 4.899 ( 0.906 0.000 -0.955) 1.317 5.071 ( 16.539 0.000 -3.801) 16.970 5.358 ( 10.262 0.000 -1.678) 10.398 6.059 ( -6.927 0.000 -15.198) 16.702 6.092 ( -15.725 0.000 -4.343) 16.314 6.389 ( 3.360 0.000 -3.157) 4.611 6.492 ( 13.895 0.000 16.812) 21.812 6.532 ( 5.901 0.000 2.592) 6.445 6.689 ( 9.845 0.000 9.773) 13.872 6.722 ( 9.931 0.000 11.485) 15.183 6.852 ( 11.725 0.000 3.842) 12.338 6.995 ( -8.947 0.000 -4.221) 9.893 7.179 ( -20.962 0.000 -8.207) 22.511 7.197 ( -7.093 0.000 -8.982) 11.445 7.607 ( -4.612 0.000 -4.763) 6.630 7.649 ( -4.821 0.000 -1.635) 5.091 8.055 ( 9.502 0.000 2.221) 9.758 8.915 ( 15.025 0.000 16.360) 22.213 9.468 ( -20.258 0.000 -12.474) 23.791 10.336 ( -14.887 0.000 -6.958) 16.433 10.443 ( 3.051 0.000 1.710) 3.497 10.497 ( 17.622 0.000 -11.179) 20.868 10.689 ( 2.050 0.000 -1.349) 2.454 10.812 ( 11.512 0.000 -9.730) 15.073 11.582 ( 27.023 0.000 22.269) 35.017 12.360 ( -19.635 0.000 -14.511) 24.415 12.705 ( -22.182 0.000 -19.944) 29.830 13.141 ( 12.835 0.000 8.438) 15.360 13.169 ( -10.733 0.000 3.431) 11.268 13.357 ( 1.614 0.000 2.835) 3.262 13.576 ( 3.849 0.000 18.788) 19.179 14.049 ( -19.195 0.000 -10.282) 21.775 ======================= Grid point 48 (19/75) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 19.222 0.000 -17.803) 26.200 1.823 ( 18.698 0.000 -0.649) 18.709 2.001 ( 22.063 0.000 7.634) 23.347 2.189 ( 13.427 0.000 5.610) 14.552 2.287 ( -10.665 0.000 -7.271) 12.907 2.391 ( 15.349 0.000 10.100) 18.374 2.423 ( -1.433 0.000 2.288) 2.699 2.474 ( -3.605 0.000 8.119) 8.883 2.639 ( 1.399 0.000 3.981) 4.219 2.764 ( 1.537 0.000 -4.995) 5.226 2.940 ( 1.188 0.000 6.238) 6.351 3.023 ( -11.980 0.000 7.852) 14.324 3.094 ( 2.482 0.000 2.428) 3.472 3.437 ( -4.295 0.000 3.608) 5.609 3.476 ( 9.023 0.000 3.497) 9.677 3.498 ( -0.015 0.000 -3.185) 3.185 3.547 ( -3.569 0.000 -4.620) 5.838 3.675 ( 2.208 0.000 0.526) 2.270 3.773 ( 7.598 0.000 -2.668) 8.053 3.805 ( -8.718 0.000 7.380) 11.422 3.886 ( -3.821 0.000 -3.949) 5.495 3.971 ( 4.582 0.000 -8.093) 9.300 4.016 ( -7.728 0.000 4.626) 9.007 4.296 ( -8.896 0.000 7.016) 11.329 4.633 ( 28.590 0.000 1.777) 28.645 4.646 ( 6.976 0.000 12.787) 14.566 4.800 ( -0.114 0.000 11.759) 11.760 4.836 ( 2.714 0.000 2.006) 3.374 4.906 ( 0.074 0.000 0.947) 0.950 5.414 ( 18.210 0.000 -12.770) 22.242 5.591 ( 14.853 0.000 -2.643) 15.086 5.721 ( -23.649 0.000 -2.698) 23.803 5.929 ( -5.700 0.000 -17.582) 18.482 6.475 ( 5.617 0.000 -4.795) 7.385 6.629 ( -16.653 0.000 3.266) 16.970 6.649 ( 4.942 0.000 -1.078) 5.058 6.760 ( 2.255 0.000 13.515) 13.702 6.799 ( -6.045 0.000 -5.789) 8.369 6.848 ( 0.104 0.000 14.086) 14.087 6.970 ( 13.844 0.000 4.958) 14.705 7.042 ( -9.043 0.000 -8.001) 12.074 7.128 ( 12.991 0.000 3.107) 13.357 7.465 ( -10.194 0.000 -0.564) 10.210 7.531 ( -7.781 0.000 -0.604) 7.805 8.300 ( 16.224 0.000 -2.777) 16.460 9.060 ( -22.347 0.000 -10.296) 24.604 9.223 ( 17.723 0.000 13.820) 22.474 9.979 ( -20.961 0.000 -1.170) 20.993 10.535 ( 5.104 0.000 1.242) 5.253 10.679 ( -2.065 0.000 0.344) 2.094 10.916 ( 25.890 0.000 -18.134) 31.609 11.176 ( 24.962 0.000 -19.631) 31.756 11.938 ( -25.095 0.000 -18.966) 31.456 12.082 ( 24.687 0.000 17.964) 30.532 12.237 ( -26.354 0.000 -22.037) 34.353 12.906 ( -17.007 0.000 8.650) 19.080 13.253 ( 3.110 0.000 -2.053) 3.726 13.485 ( 7.227 0.000 14.971) 16.624 13.606 ( -3.770 0.000 13.176) 13.705 13.729 ( -9.690 0.000 3.314) 10.241 ======================= Grid point 49 (20/75) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -19.281 0.000 -17.821) 26.255 1.827 ( 19.281 0.000 -17.821) 26.255 2.226 ( -11.142 0.000 -0.992) 11.186 2.226 ( 11.142 0.000 -0.992) 11.186 2.318 ( -11.792 0.000 7.343) 13.891 2.318 ( 11.792 0.000 7.343) 13.891 2.527 ( -11.121 0.000 4.524) 12.006 2.527 ( 11.121 0.000 4.524) 12.006 2.730 ( -18.040 0.000 7.859) 19.678 2.730 ( 18.040 0.000 7.859) 19.678 2.870 ( -6.767 0.000 1.984) 7.052 2.870 ( 6.767 0.000 1.984) 7.052 3.235 ( -10.460 0.000 8.153) 13.262 3.235 ( 10.460 0.000 8.153) 13.262 3.501 ( -1.013 0.000 -3.983) 4.110 3.501 ( 1.013 0.000 -3.983) 4.110 3.663 ( -5.960 0.000 4.045) 7.203 3.663 ( 5.960 0.000 4.045) 7.203 3.779 ( -6.162 0.000 -3.879) 7.281 3.779 ( 6.162 0.000 -3.879) 7.281 3.895 ( -5.852 0.000 2.711) 6.449 3.895 ( 5.852 0.000 2.711) 6.449 4.119 ( -9.499 0.000 2.109) 9.731 4.119 ( 9.499 0.000 2.109) 9.731 4.758 ( -4.336 0.000 12.865) 13.576 4.758 ( 4.336 0.000 12.865) 13.576 4.875 ( -1.462 0.000 1.965) 2.449 4.875 ( 1.462 0.000 1.965) 2.449 5.215 ( -29.415 0.000 -1.036) 29.433 5.215 ( 29.415 0.000 -1.036) 29.433 5.673 ( -9.035 0.000 -17.893) 20.045 5.673 ( 9.035 0.000 -17.893) 20.045 6.125 ( -26.956 0.000 -2.983) 27.120 6.125 ( 26.956 0.000 -2.983) 27.120 6.594 ( -6.804 0.000 -5.323) 8.638 6.594 ( 6.804 0.000 -5.323) 8.638 6.850 ( -2.476 0.000 19.035) 19.195 6.850 ( 2.476 0.000 19.035) 19.195 6.867 ( -8.990 0.000 -5.044) 10.308 6.867 ( 8.990 0.000 -5.044) 10.308 7.237 ( -13.667 0.000 2.362) 13.870 7.237 ( 13.667 0.000 2.362) 13.870 7.356 ( -10.879 0.000 0.911) 10.917 7.356 ( 10.879 0.000 0.911) 10.917 8.651 ( -20.662 0.000 -6.913) 21.788 8.651 ( 20.662 0.000 -6.913) 21.788 9.583 ( -20.469 0.000 6.358) 21.434 9.583 ( 20.469 0.000 6.358) 21.434 10.621 ( -3.930 0.000 0.828) 4.017 10.621 ( 3.930 0.000 0.828) 4.017 11.432 ( -28.038 0.000 -20.330) 34.633 11.432 ( 28.038 0.000 -20.330) 34.633 11.695 ( -29.017 0.000 -22.698) 36.839 11.695 ( 29.017 0.000 -22.698) 36.839 12.537 ( -21.983 0.000 13.600) 25.850 12.537 ( 21.983 0.000 13.600) 25.850 13.367 ( -9.621 0.000 -2.880) 10.043 13.367 ( 9.621 0.000 -2.880) 10.043 13.652 ( -4.323 0.000 19.147) 19.629 13.652 ( 4.323 0.000 19.147) 19.629 ======================= Grid point 54 (21/75) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 25.246 15.198) 29.468 1.047 ( 0.000 26.207 21.308) 33.776 1.483 ( 0.000 14.671 5.034) 15.510 1.545 ( 0.000 19.916 9.249) 21.959 1.702 ( 0.000 31.126 32.119) 44.726 1.823 ( 0.000 0.887 6.297) 6.359 2.027 ( 0.000 9.419 6.177) 11.264 2.510 ( 0.000 -3.542 4.213) 5.505 2.600 ( 0.000 -2.074 -0.754) 2.207 2.660 ( 0.000 2.330 1.105) 2.579 2.730 ( 0.000 -3.398 10.283) 10.830 2.832 ( 0.000 -9.774 2.318) 10.045 3.076 ( 0.000 -2.449 -1.733) 3.000 3.111 ( 0.000 -5.077 10.945) 12.065 3.374 ( 0.000 -15.619 -4.075) 16.142 3.472 ( 0.000 -6.231 -5.032) 8.009 3.624 ( 0.000 -6.935 -1.489) 7.093 3.669 ( 0.000 3.513 -10.718) 11.279 3.730 ( 0.000 -0.853 -3.138) 3.252 3.741 ( 0.000 -22.310 -2.505) 22.451 3.903 ( 0.000 1.465 -6.944) 7.097 4.023 ( 0.000 -5.968 -8.477) 10.367 4.128 ( 0.000 5.260 1.118) 5.377 4.367 ( 0.000 -2.186 10.265) 10.495 4.420 ( 0.000 -11.564 -0.552) 11.577 4.625 ( 0.000 -5.565 2.032) 5.924 4.762 ( 0.000 2.033 1.786) 2.706 4.777 ( 0.000 12.800 3.149) 13.182 5.030 ( 0.000 2.244 6.037) 6.441 5.188 ( 0.000 17.564 -0.450) 17.570 5.223 ( 0.000 23.298 -5.058) 23.840 5.964 ( 0.000 -9.812 5.719) 11.357 6.187 ( 0.000 -8.063 -0.476) 8.077 6.327 ( 0.000 -6.278 -1.189) 6.390 6.405 ( 0.000 1.075 4.775) 4.894 6.434 ( 0.000 -0.136 7.134) 7.136 6.451 ( 0.000 4.616 3.247) 5.644 6.556 ( 0.000 11.469 -3.246) 11.920 6.609 ( 0.000 5.542 10.177) 11.588 7.319 ( 0.000 3.912 -2.768) 4.793 7.384 ( 0.000 3.327 -7.832) 8.509 7.499 ( 0.000 -7.732 -11.949) 14.232 7.604 ( 0.000 -2.856 -2.939) 4.098 7.726 ( 0.000 -2.709 -2.958) 4.011 8.087 ( 0.000 6.228 8.755) 10.744 8.515 ( 0.000 -4.194 7.232) 8.360 9.922 ( 0.000 1.815 -11.466) 11.609 10.388 ( 0.000 2.689 11.825) 12.127 10.455 ( 0.000 6.023 10.922) 12.473 10.612 ( 0.000 -6.355 -2.130) 6.702 10.691 ( 0.000 -4.902 7.164) 8.680 10.738 ( 0.000 -1.726 21.049) 21.120 11.048 ( 0.000 26.289 -1.522) 26.333 12.639 ( 0.000 10.670 -12.091) 16.126 12.972 ( 0.000 -4.874 -3.514) 6.009 13.039 ( 0.000 1.405 6.558) 6.707 13.179 ( 0.000 -3.805 -10.209) 10.895 13.270 ( 0.000 -18.387 1.925) 18.487 13.410 ( 0.000 1.350 -9.172) 9.271 14.329 ( 0.000 -14.162 -13.810) 19.781 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.12 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 12.349 18.973 10.975) 25.158 1.219 ( 16.324 22.199 15.210) 31.474 1.473 ( 1.467 22.617 2.356) 22.787 1.673 ( 12.853 11.947 8.789) 19.626 1.852 ( 11.491 6.062 14.878) 19.752 1.973 ( 13.941 5.451 14.063) 20.539 2.182 ( 17.101 16.201 9.568) 25.425 2.519 ( 0.776 -2.918 3.739) 4.806 2.603 ( -3.007 0.438 3.733) 4.813 2.678 ( 5.579 0.380 -1.259) 5.732 2.843 ( 7.712 -5.324 6.527) 11.421 2.913 ( 5.155 -8.646 0.032) 10.067 3.078 ( 4.813 -2.413 0.516) 5.409 3.175 ( 4.642 -5.010 6.309) 9.298 3.292 ( -8.131 -12.632 -8.119) 17.077 3.416 ( -5.095 -4.700 -2.692) 7.436 3.548 ( -3.798 -14.269 -6.302) 16.055 3.652 ( -4.988 -11.266 -2.681) 12.609 3.716 ( -0.222 -0.215 -3.185) 3.200 3.780 ( 5.454 2.473 -6.918) 9.150 3.885 ( 0.178 -4.246 -3.104) 5.263 4.121 ( 3.310 0.400 5.882) 6.761 4.152 ( 0.889 -1.702 1.050) 2.188 4.349 ( -0.743 -4.914 5.954) 7.756 4.417 ( 0.295 -5.136 -0.008) 5.144 4.585 ( -3.112 -3.115 6.418) 7.784 4.741 ( 1.066 4.532 -2.862) 5.466 4.798 ( 0.900 9.887 -0.528) 9.942 5.007 ( -6.374 16.473 0.973) 17.690 5.130 ( 5.861 -1.570 1.600) 6.275 5.322 ( 3.690 24.040 2.519) 24.451 6.049 ( -0.580 -9.886 -7.133) 12.204 6.127 ( 4.823 -10.687 9.915) 15.355 6.374 ( -1.122 0.129 -1.826) 2.147 6.423 ( 0.344 3.887 0.978) 4.023 6.477 ( 3.384 3.911 4.228) 6.680 6.500 ( 6.574 -0.303 6.379) 9.166 6.547 ( 3.328 3.896 5.486) 7.507 6.697 ( 8.176 4.419 7.529) 11.961 7.235 ( -8.086 4.689 -4.627) 10.430 7.342 ( -4.534 2.302 -7.734) 9.256 7.406 ( -9.996 -6.620 -10.917) 16.215 7.597 ( -0.659 -3.514 -4.529) 5.770 7.692 ( -3.427 -3.460 -3.072) 5.758 8.109 ( 3.157 10.147 6.816) 12.625 8.623 ( 10.507 -4.260 11.399) 16.078 9.796 ( -12.335 2.652 -11.628) 17.158 10.321 ( 2.453 2.543 2.572) 4.370 10.466 ( -5.324 -3.944 -5.998) 8.937 10.602 ( -2.274 -2.557 -1.588) 3.772 10.688 ( 8.035 12.961 9.073) 17.744 11.020 ( 3.080 21.442 2.849) 21.849 11.090 ( 20.030 2.653 19.286) 27.932 12.706 ( -8.288 3.145 -15.859) 18.169 12.774 ( 0.362 -2.949 3.716) 4.758 13.034 ( -8.072 -1.962 -7.868) 11.442 13.200 ( 0.765 -11.695 -2.648) 12.015 13.246 ( -0.630 -7.466 4.898) 8.952 13.416 ( 1.147 -2.590 2.342) 3.675 14.205 ( -12.651 -14.195 -12.759) 22.899 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.25 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 10.086 15.046 -6.176) 19.138 1.532 ( 15.107 13.744 12.183) 23.782 1.680 ( 20.205 12.357 2.922) 23.864 1.942 ( 14.907 6.972 7.600) 18.127 2.083 ( 12.136 -1.363 8.588) 14.930 2.231 ( 12.206 0.387 11.360) 16.679 2.496 ( 2.207 -1.327 -1.286) 2.878 2.530 ( -0.251 1.589 0.331) 1.643 2.562 ( 5.159 2.110 8.030) 9.775 2.755 ( 1.032 -0.552 -0.693) 1.360 2.883 ( -2.244 -4.319 2.125) 5.311 3.037 ( 5.030 -4.176 2.444) 6.980 3.111 ( -2.190 -1.478 0.416) 2.675 3.236 ( 6.237 -0.712 0.346) 6.287 3.313 ( 3.132 -13.127 3.880) 14.042 3.380 ( 7.681 -4.626 -1.714) 9.129 3.463 ( -4.877 -11.242 -4.188) 12.950 3.590 ( -0.856 -7.860 -3.530) 8.659 3.707 ( -0.567 0.783 -2.007) 2.228 3.869 ( -0.281 -6.458 -1.322) 6.598 3.915 ( 5.403 5.144 -4.607) 8.768 4.031 ( -8.372 -0.217 13.778) 16.124 4.255 ( 9.356 -0.418 2.827) 9.783 4.321 ( -1.500 1.796 3.048) 3.842 4.409 ( -1.770 1.492 4.413) 4.983 4.594 ( 3.787 4.477 3.018) 6.595 4.756 ( -3.346 12.325 -10.877) 16.775 4.818 ( 6.864 0.180 -0.178) 6.868 5.040 ( 9.611 4.299 -0.365) 10.535 5.285 ( 9.955 -1.283 4.375) 10.950 5.356 ( 0.482 21.605 6.478) 22.560 5.927 ( -7.612 -10.836 -15.150) 20.122 6.189 ( -15.075 6.615 -3.589) 16.849 6.360 ( 13.166 -11.865 15.987) 23.869 6.465 ( 3.830 5.781 -2.264) 7.295 6.571 ( 5.920 3.013 4.565) 8.060 6.641 ( 6.825 -3.605 11.560) 13.900 6.699 ( 11.432 -1.239 5.932) 12.939 6.888 ( 11.061 1.776 3.921) 11.869 7.057 ( -9.611 5.445 -5.031) 12.138 7.108 ( -19.392 -6.253 -7.381) 21.671 7.247 ( -6.919 4.242 -8.798) 11.969 7.565 ( -3.327 -4.004 -4.892) 7.144 7.601 ( -6.184 -4.945 -2.437) 8.284 8.221 ( 8.759 13.199 3.134) 16.148 8.871 ( 15.095 -4.261 15.464) 22.026 9.496 ( -18.765 4.336 -11.452) 22.407 10.251 ( -16.383 -8.277 -7.331) 19.765 10.496 ( 14.829 2.640 -9.152) 17.625 10.709 ( 12.768 4.734 -8.670) 16.143 10.832 ( 8.246 19.225 1.360) 20.964 11.002 ( -1.370 23.346 -1.405) 23.428 11.579 ( 27.496 -0.455 23.201) 35.979 12.397 ( -19.558 3.510 -14.164) 24.402 12.626 ( -19.474 -7.730 -18.731) 28.104 13.058 ( 1.568 -8.826 -0.271) 8.969 13.111 ( -2.284 -7.704 9.476) 12.425 13.255 ( 1.112 -4.252 3.809) 5.816 13.476 ( 4.459 -6.535 16.564) 18.356 13.893 ( -19.021 -13.884 -9.914) 25.551 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.38 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 14.157 9.851 -14.118) 22.288 1.826 ( 14.782 2.066 4.524) 15.596 2.059 ( 17.144 3.225 2.762) 17.662 2.177 ( -3.320 -4.621 -5.833) 8.149 2.224 ( 11.957 0.920 4.046) 12.656 2.401 ( 3.735 -0.073 7.967) 8.800 2.443 ( 1.276 0.861 6.030) 6.224 2.482 ( -3.500 0.358 5.779) 6.766 2.619 ( -2.543 -4.329 1.103) 5.141 2.734 ( 0.637 -2.012 -1.970) 2.887 2.892 ( -0.654 -5.844 7.196) 9.293 2.918 ( -7.836 -6.744 6.650) 12.293 3.127 ( 1.969 1.487 0.332) 2.489 3.322 ( -0.347 -6.637 7.932) 10.348 3.364 ( -3.040 -8.720 -0.928) 9.282 3.430 ( -3.593 -6.451 1.645) 7.565 3.525 ( 11.090 2.557 0.227) 11.383 3.651 ( 2.592 -2.585 -4.009) 5.429 3.722 ( 6.205 0.594 0.883) 6.296 3.844 ( -1.341 -5.132 0.253) 5.311 3.901 ( -1.187 2.052 9.851) 10.133 4.027 ( 3.883 7.697 -2.102) 8.873 4.196 ( -6.717 7.287 -3.050) 10.369 4.288 ( -6.262 0.287 5.705) 8.476 4.639 ( 4.983 2.846 0.407) 5.752 4.679 ( 10.452 4.882 -4.668) 12.445 4.765 ( 14.087 7.115 -1.939) 15.900 4.996 ( 10.636 10.799 6.562) 16.517 5.224 ( 3.882 10.791 4.225) 12.221 5.378 ( 6.398 4.578 -6.072) 9.938 5.525 ( 13.925 -4.197 1.655) 14.638 5.776 ( -12.811 -2.664 -8.283) 15.486 5.846 ( -14.225 0.424 -10.508) 17.690 6.532 ( -4.501 -2.974 2.407) 5.907 6.565 ( 5.142 -0.435 4.745) 7.010 6.653 ( -5.403 -7.096 8.611) 12.397 6.694 ( 3.787 1.012 2.144) 4.467 6.776 ( -2.962 -3.465 8.496) 9.642 6.872 ( -4.134 5.303 -4.526) 8.105 6.952 ( 12.326 -0.996 3.162) 12.764 7.098 ( -7.980 4.171 -7.021) 11.418 7.129 ( 10.801 -0.608 2.143) 11.029 7.433 ( -10.144 -3.115 -1.362) 10.699 7.486 ( -6.572 -5.222 -1.796) 8.584 8.437 ( 14.174 12.354 -1.380) 18.853 9.118 ( -20.031 6.518 -9.190) 22.982 9.177 ( 16.838 -4.437 12.227) 21.277 9.900 ( -20.060 -7.429 -1.944) 21.479 10.766 ( 9.674 14.715 -5.364) 18.409 10.938 ( -1.721 22.683 -0.567) 22.755 11.007 ( 20.724 11.508 -11.991) 26.565 11.156 ( 22.810 -0.244 -17.566) 28.791 11.974 ( -23.390 3.428 -17.423) 29.367 12.082 ( 21.054 -0.606 17.072) 27.113 12.188 ( -23.617 -4.544 -20.863) 31.838 12.861 ( -14.964 -7.575 9.184) 19.122 13.150 ( 1.846 -6.047 -1.203) 6.436 13.362 ( 5.340 -10.300 13.057) 17.467 13.519 ( -4.906 -7.545 10.504) 13.832 13.579 ( -6.849 -12.656 6.066) 15.616 ======================= Grid point 58 (25/75) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -14.388 1.381 -14.694) 20.612 1.836 ( 14.388 1.381 -14.694) 20.612 2.193 ( -10.497 -3.247 2.062) 11.180 2.193 ( 10.497 -3.247 2.062) 11.180 2.351 ( -6.527 1.311 1.920) 6.929 2.351 ( 6.527 1.311 1.920) 6.929 2.490 ( -8.841 -2.893 3.711) 10.015 2.490 ( 8.841 -2.893 3.711) 10.015 2.647 ( -11.713 -3.276 11.180) 16.520 2.647 ( 11.713 -3.276 11.180) 16.520 2.863 ( -4.213 -2.585 4.341) 6.578 2.863 ( 4.213 -2.585 4.341) 6.578 3.225 ( -7.354 -1.694 6.450) 9.927 3.225 ( 7.354 -1.694 6.450) 9.927 3.367 ( -2.085 -7.012 1.042) 7.389 3.367 ( 2.085 -7.012 1.042) 7.389 3.630 ( -2.658 -1.841 -2.444) 4.053 3.630 ( 2.658 -1.841 -2.444) 4.053 3.817 ( -1.931 -2.203 1.593) 3.334 3.817 ( 1.931 -2.203 1.593) 3.334 4.010 ( -8.182 9.412 2.228) 12.669 4.010 ( 8.182 9.412 2.228) 12.669 4.162 ( -5.554 3.690 1.149) 6.767 4.162 ( 5.554 3.690 1.149) 6.767 4.685 ( -1.955 1.650 -3.790) 4.572 4.685 ( 1.955 1.650 -3.790) 4.572 5.156 ( -6.572 17.581 11.711) 22.123 5.156 ( 6.572 17.581 11.711) 22.123 5.303 ( -27.573 7.718 -0.878) 28.647 5.303 ( 27.573 7.718 -0.878) 28.647 5.554 ( -8.548 -10.271 -18.532) 22.847 5.554 ( 8.548 -10.271 -18.532) 22.847 6.082 ( -27.011 -3.289 -0.845) 27.223 6.082 ( 27.011 -3.289 -0.845) 27.223 6.677 ( -6.351 6.849 -4.223) 10.250 6.677 ( 6.351 6.849 -4.223) 10.250 6.725 ( -2.815 -10.323 17.707) 20.688 6.725 ( 2.815 -10.323 17.707) 20.688 6.933 ( -8.258 5.001 -3.717) 10.345 6.933 ( 8.258 5.001 -3.717) 10.345 7.205 ( -12.691 -2.994 1.218) 13.096 7.205 ( 12.691 -2.994 1.218) 13.096 7.335 ( -9.112 -3.145 0.254) 9.642 7.335 ( 9.112 -3.145 0.254) 9.642 8.747 ( -18.513 9.578 -5.849) 21.650 8.747 ( 18.513 9.578 -5.849) 21.650 9.523 ( -19.495 -5.794 5.193) 20.990 9.523 ( 19.495 -5.794 5.193) 20.990 10.880 ( -4.096 21.994 -0.618) 22.380 10.880 ( 4.096 21.994 -0.618) 22.380 11.479 ( -26.984 4.812 -18.637) 33.146 11.479 ( 26.984 4.812 -18.637) 33.146 11.656 ( -28.248 -3.380 -22.628) 36.351 11.656 ( 28.248 -3.380 -22.628) 36.351 12.524 ( -20.761 -2.660 14.864) 25.671 12.524 ( 20.761 -2.660 14.864) 25.671 13.246 ( -8.800 -9.704 -2.780) 13.392 13.246 ( 8.800 -9.704 -2.780) 13.392 13.536 ( -3.662 -10.057 18.542) 21.409 13.536 ( 3.662 -10.057 18.542) 21.409 ======================= Grid point 63 (26/75) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 22.519 0.316) 22.521 1.583 ( 0.000 18.601 9.221) 20.762 1.822 ( 0.000 7.824 1.748) 8.016 1.857 ( 0.000 4.643 3.977) 6.113 1.944 ( 0.000 12.356 13.700) 18.449 1.993 ( 0.000 11.770 4.138) 12.476 2.344 ( 0.000 -8.209 -1.031) 8.273 2.363 ( 0.000 -3.077 8.528) 9.066 2.473 ( 0.000 -8.746 -3.516) 9.426 2.673 ( 0.000 -3.261 6.591) 7.354 2.749 ( 0.000 4.116 4.189) 5.872 2.860 ( 0.000 17.384 10.218) 20.165 2.925 ( 0.000 -12.600 5.728) 13.841 3.050 ( 0.000 -0.776 -3.135) 3.229 3.085 ( 0.000 3.314 0.657) 3.378 3.166 ( 0.000 -11.875 -4.712) 12.776 3.346 ( 0.000 -12.961 -0.374) 12.966 3.473 ( 0.000 -17.316 4.823) 17.976 3.756 ( 0.000 3.757 -3.925) 5.434 3.799 ( 0.000 3.423 -8.195) 8.881 3.923 ( 0.000 2.733 -10.948) 11.284 3.966 ( 0.000 1.687 -0.629) 1.801 4.154 ( 0.000 -3.385 10.248) 10.793 4.187 ( 0.000 -9.403 0.007) 9.403 4.354 ( 0.000 3.886 8.043) 8.932 4.485 ( 0.000 -7.089 4.615) 8.458 4.811 ( 0.000 2.534 3.819) 4.584 4.866 ( 0.000 -2.241 7.517) 7.844 5.276 ( 0.000 19.087 -3.561) 19.416 5.601 ( 0.000 18.645 -2.346) 18.792 5.673 ( 0.000 -16.354 1.126) 16.393 5.700 ( 0.000 19.850 -2.658) 20.027 5.955 ( 0.000 -13.545 -1.561) 13.635 6.090 ( 0.000 -15.026 -0.117) 15.026 6.421 ( 0.000 0.534 6.297) 6.320 6.430 ( 0.000 -0.286 7.011) 7.017 6.588 ( 0.000 6.609 4.087) 7.771 6.676 ( 0.000 -0.586 6.764) 6.789 6.877 ( 0.000 17.279 -6.640) 18.511 7.232 ( 0.000 -15.126 -9.092) 17.649 7.420 ( 0.000 5.219 -2.707) 5.879 7.503 ( 0.000 5.804 -7.095) 9.167 7.526 ( 0.000 -4.457 -2.737) 5.230 7.632 ( 0.000 -5.737 -4.687) 7.408 8.233 ( 0.000 7.501 10.363) 12.793 8.392 ( 0.000 -7.080 8.947) 11.409 10.075 ( 0.000 12.066 -10.662) 16.102 10.364 ( 0.000 -13.227 -10.224) 16.718 10.468 ( 0.000 4.598 11.560) 12.441 10.561 ( 0.000 -1.920 13.342) 13.480 10.607 ( 0.000 0.707 20.960) 20.972 10.677 ( 0.000 -3.567 22.800) 23.077 11.746 ( 0.000 37.421 -3.157) 37.554 12.529 ( 0.000 -32.610 -6.373) 33.227 12.918 ( 0.000 7.562 -10.582) 13.006 13.063 ( 0.000 -3.733 -4.900) 6.160 13.074 ( 0.000 1.295 0.514) 1.394 13.079 ( 0.000 -1.124 -2.027) 2.318 13.540 ( 0.000 12.784 -11.180) 16.983 13.935 ( 0.000 -21.292 -13.699) 25.319 ======================= Grid point 64 (27/75) ======================= q-point: ( 0.12 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 6.730 21.344 0.341) 22.382 1.710 ( 11.061 18.208 7.927) 22.732 1.863 ( 4.401 7.672 -1.552) 8.980 1.918 ( 6.952 4.315 7.615) 11.178 1.995 ( 0.467 13.674 3.156) 14.041 2.060 ( 10.120 7.007 10.627) 16.262 2.368 ( 1.552 -4.434 0.427) 4.718 2.395 ( 2.721 -6.906 6.987) 10.194 2.542 ( 4.105 -10.017 -1.424) 10.919 2.652 ( -0.645 -5.677 4.582) 7.324 2.778 ( 1.670 0.334 7.147) 7.348 2.873 ( -2.281 -12.986 2.149) 13.359 2.968 ( 8.628 10.192 4.024) 13.947 3.067 ( 3.966 1.143 -3.276) 5.270 3.147 ( 4.717 2.715 1.510) 5.648 3.185 ( 1.982 -11.061 -4.303) 12.033 3.270 ( -3.633 -4.596 -0.736) 5.905 3.525 ( 3.753 -10.539 8.647) 14.140 3.705 ( -2.676 2.995 -5.860) 7.104 3.805 ( -1.292 -3.359 -4.580) 5.824 3.954 ( 2.374 6.418 -3.607) 7.735 4.022 ( 4.391 0.335 0.010) 4.403 4.137 ( -1.913 -3.715 10.150) 10.977 4.246 ( 6.221 -9.576 -3.655) 11.990 4.358 ( 1.423 5.489 6.908) 8.937 4.486 ( 1.175 -5.701 5.494) 8.005 4.810 ( 0.029 3.453 0.124) 3.455 4.886 ( 2.379 -2.978 1.173) 3.988 5.327 ( 5.166 19.324 1.803) 20.083 5.425 ( -11.112 19.669 -6.778) 23.585 5.750 ( 6.213 -13.611 1.163) 15.008 5.788 ( -1.464 3.643 -3.523) 5.275 5.850 ( -0.682 -3.354 5.980) 6.890 6.185 ( 4.825 -14.397 6.481) 16.510 6.473 ( 5.199 1.387 4.234) 6.847 6.494 ( 6.516 -0.621 5.664) 8.656 6.612 ( 2.625 7.120 3.405) 8.318 6.712 ( 2.821 -0.101 4.655) 5.444 6.827 ( -4.170 14.256 -4.599) 15.549 7.152 ( -8.546 -14.262 -8.176) 18.528 7.359 ( -5.981 6.607 -4.328) 9.907 7.458 ( -4.250 5.628 -7.427) 10.242 7.496 ( -2.924 -5.704 -4.129) 7.624 7.587 ( -4.276 -5.911 -5.348) 9.046 8.315 ( 8.040 9.191 9.982) 15.771 8.495 ( 10.097 -7.533 11.361) 16.964 9.961 ( -11.093 12.449 -10.515) 19.713 10.256 ( -10.025 -13.519 -9.820) 19.486 10.400 ( 2.081 4.525 2.366) 5.513 10.504 ( 1.410 -5.032 1.558) 5.453 10.927 ( 23.054 7.183 23.053) 33.385 11.027 ( 25.870 -3.168 25.355) 36.362 11.717 ( -2.936 36.583 -3.094) 36.831 12.474 ( -5.646 -30.980 -7.226) 32.309 12.805 ( -11.884 5.291 -12.259) 17.874 12.919 ( -8.866 -5.343 -5.996) 11.963 13.081 ( -0.072 5.753 -2.603) 6.315 13.177 ( 4.360 -2.640 3.788) 6.350 13.472 ( -5.877 8.867 -4.461) 11.535 13.815 ( -11.880 -20.497 -11.525) 26.346 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.25 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 5.073 19.016 -0.217) 19.682 1.909 ( 6.490 18.038 6.606) 20.276 1.970 ( 5.207 8.498 -3.697) 10.630 2.019 ( 6.127 0.549 0.625) 6.184 2.095 ( 8.714 2.952 2.488) 9.531 2.248 ( 8.215 -3.711 6.512) 11.120 2.422 ( 5.201 0.780 3.116) 6.113 2.447 ( 2.198 -6.132 7.235) 9.736 2.500 ( -4.731 -6.437 7.099) 10.687 2.679 ( -0.136 -11.149 -3.201) 11.601 2.781 ( -0.886 -2.283 8.489) 8.835 2.815 ( -2.708 -9.420 6.016) 11.500 3.133 ( 2.189 -1.337 -1.260) 2.857 3.142 ( 4.433 0.679 -0.716) 4.542 3.199 ( 5.744 -6.625 -6.738) 11.058 3.230 ( 1.272 -8.118 -4.440) 9.340 3.441 ( 18.350 13.816 7.542) 24.176 3.579 ( 1.209 3.004 6.536) 7.294 3.687 ( 0.927 -1.050 -2.350) 2.736 3.774 ( -1.581 -4.185 -3.814) 5.879 3.957 ( -1.690 0.474 9.490) 9.651 4.076 ( 1.162 -9.599 5.303) 11.028 4.147 ( 3.907 8.736 0.178) 9.572 4.324 ( 0.536 -6.375 2.406) 6.835 4.482 ( 12.808 7.367 3.378) 15.157 4.618 ( 14.217 -3.949 -1.754) 14.859 4.825 ( 2.360 4.351 -4.649) 6.791 4.961 ( 5.420 -5.102 -8.024) 10.945 5.217 ( -9.476 18.421 -16.558) 26.520 5.470 ( 6.388 15.010 11.166) 19.769 5.649 ( -4.855 -10.935 -11.899) 16.874 5.837 ( -0.401 20.360 11.178) 23.230 5.988 ( 11.438 -20.346 16.626) 28.657 6.201 ( -4.374 -10.808 8.035) 14.159 6.579 ( 2.616 6.325 0.413) 6.857 6.638 ( 2.405 3.414 2.410) 4.822 6.671 ( 5.453 -0.045 3.480) 6.469 6.697 ( 3.789 6.466 1.174) 7.586 6.860 ( 3.542 -4.464 1.599) 5.919 6.928 ( -11.206 -9.129 -4.365) 15.098 7.218 ( -8.347 8.989 -5.358) 13.387 7.359 ( -6.157 5.636 -7.501) 11.222 7.418 ( -5.370 -8.627 -4.482) 11.106 7.489 ( -6.033 -5.573 -5.707) 10.001 8.507 ( 11.736 12.566 7.606) 18.801 8.733 ( 14.438 -8.688 12.429) 20.939 9.691 ( -16.885 13.497 -9.732) 23.707 10.004 ( -16.309 -14.385 -8.239) 23.255 10.570 ( 15.338 4.180 -10.408) 19.001 10.662 ( 15.113 -4.147 -11.143) 19.230 11.322 ( 17.157 18.166 16.808) 30.115 11.538 ( 26.401 -3.397 23.775) 35.690 11.646 ( -3.955 33.440 -2.886) 33.796 12.317 ( -11.514 -24.715 -11.782) 29.703 12.508 ( -18.965 6.917 -13.789) 24.447 12.712 ( -12.779 -14.514 -6.415) 20.374 13.081 ( 0.942 5.231 1.785) 5.608 13.219 ( -0.673 -2.959 5.193) 6.015 13.381 ( -2.877 -0.786 8.491) 9.000 13.540 ( -15.539 -15.934 -5.248) 22.867 ======================= Grid point 66 (29/75) ======================= q-point: ( 0.38 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 5.284 13.067 -3.995) 14.650 1.941 ( 1.047 9.009 2.565) 9.425 2.009 ( -1.613 -6.319 -4.012) 7.657 2.189 ( -2.164 -9.677 -0.631) 9.937 2.201 ( 10.861 6.203 -1.817) 12.639 2.338 ( 2.999 -2.816 -0.580) 4.155 2.435 ( 1.229 -2.417 5.320) 5.971 2.488 ( -0.879 -1.705 5.724) 6.037 2.552 ( 6.146 3.264 10.195) 12.344 2.677 ( 2.558 -6.525 2.097) 7.315 2.733 ( -3.422 -1.614 9.695) 10.407 2.798 ( -0.394 -5.973 11.699) 13.141 3.156 ( 1.860 2.990 -0.472) 3.553 3.212 ( 2.630 -2.138 1.111) 3.567 3.234 ( -0.573 -4.406 -0.879) 4.529 3.274 ( 0.669 -6.969 1.138) 7.092 3.594 ( 1.547 4.978 1.094) 5.327 3.664 ( 1.188 0.467 0.015) 1.276 3.729 ( 2.399 -0.576 0.666) 2.555 3.745 ( -1.432 -3.693 -1.296) 4.168 3.976 ( 7.558 6.614 9.764) 14.007 4.141 ( 4.290 -6.972 5.387) 9.799 4.194 ( 0.810 6.368 2.873) 7.033 4.291 ( -3.747 -2.515 5.623) 7.210 4.774 ( 9.197 9.909 -11.122) 17.506 4.906 ( 16.627 10.242 -5.861) 20.389 5.020 ( 13.692 -2.412 -11.809) 18.242 5.033 ( 5.047 9.590 -13.873) 17.604 5.159 ( 10.491 -5.408 -7.643) 14.062 5.414 ( -8.043 -13.457 -15.127) 21.786 5.736 ( -0.066 16.829 13.747) 21.730 5.789 ( 4.009 17.537 13.297) 22.370 5.960 ( -18.317 1.729 0.823) 18.417 6.219 ( 10.175 -20.341 18.311) 29.199 6.473 ( -13.736 -4.508 6.643) 15.910 6.542 ( -11.905 -9.143 7.513) 16.786 6.744 ( 7.167 7.876 -3.360) 11.166 6.859 ( 7.554 5.555 1.057) 9.436 6.874 ( 10.407 -2.400 0.337) 10.686 7.028 ( 8.038 -7.082 1.013) 10.760 7.069 ( -6.583 9.765 -4.728) 12.690 7.227 ( -7.683 5.639 -5.241) 10.876 7.296 ( -7.617 -9.434 -3.814) 12.710 7.358 ( -7.691 -5.521 -3.003) 9.932 8.747 ( 13.862 14.960 2.956) 20.609 9.020 ( 15.930 -10.268 8.379) 20.722 9.356 ( -18.087 14.613 -6.981) 24.278 9.671 ( -18.337 -13.741 -4.101) 23.278 10.940 ( 22.619 5.259 -18.171) 29.486 11.043 ( 24.329 -4.325 -19.559) 31.514 11.542 ( -4.507 30.012 -3.564) 30.558 11.562 ( 7.148 27.443 6.282) 29.046 11.976 ( 4.380 -10.113 4.473) 11.894 12.027 ( -5.583 -12.697 -6.304) 15.235 12.115 ( -21.906 9.670 -13.035) 27.264 12.486 ( -10.444 -23.432 1.920) 25.726 13.129 ( 2.341 0.129 8.992) 9.293 13.163 ( -3.205 -4.888 3.762) 6.951 13.287 ( -7.924 -7.739 4.317) 11.888 13.356 ( -2.578 -8.283 14.731) 17.096 ======================= Grid point 67 (30/75) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -4.248 5.611 -6.274) 9.428 1.907 ( 4.248 5.611 -6.274) 9.428 2.063 ( -7.364 -8.219 2.438) 11.301 2.063 ( 7.364 -8.219 2.438) 11.301 2.371 ( -5.453 2.095 -3.623) 6.873 2.371 ( 5.453 2.095 -3.623) 6.873 2.435 ( -2.329 -2.975 1.443) 4.044 2.435 ( 2.329 -2.975 1.443) 4.044 2.656 ( -4.771 3.405 13.258) 14.496 2.656 ( 4.771 3.405 13.258) 14.496 2.761 ( -3.943 -5.896 10.366) 12.560 2.761 ( 3.943 -5.896 10.366) 12.560 3.201 ( -2.549 0.638 1.355) 2.957 3.201 ( 2.549 0.638 1.355) 2.957 3.254 ( -1.868 -4.022 2.028) 4.877 3.254 ( 1.868 -4.022 2.028) 4.877 3.638 ( -2.609 2.767 -1.367) 4.041 3.638 ( 2.609 2.767 -1.367) 4.041 3.729 ( -0.368 -5.069 1.085) 5.196 3.729 ( 0.368 -5.069 1.085) 5.196 4.151 ( -7.278 4.335 7.013) 10.998 4.151 ( 7.278 4.335 7.013) 10.998 4.207 ( -3.217 -0.580 4.654) 5.687 4.207 ( 3.217 -0.580 4.654) 5.687 4.886 ( -5.545 15.405 -18.222) 24.497 4.886 ( 5.545 15.405 -18.222) 24.497 5.236 ( -8.803 -15.707 -19.019) 26.190 5.236 ( 8.803 -15.707 -19.019) 26.190 5.460 ( -22.277 9.208 0.540) 24.111 5.460 ( 22.277 9.208 0.540) 24.111 5.531 ( -16.260 5.748 2.771) 17.467 5.531 ( 16.260 5.748 2.771) 17.467 6.084 ( -18.843 7.824 10.444) 22.921 6.084 ( 18.843 7.824 10.444) 22.921 6.407 ( -7.238 -17.875 18.670) 26.842 6.407 ( 7.238 -17.875 18.670) 26.842 6.877 ( -6.233 10.407 -4.326) 12.879 6.877 ( 6.233 10.407 -4.326) 12.879 7.038 ( -6.846 1.257 -2.985) 7.574 7.038 ( 6.846 1.257 -2.985) 7.574 7.117 ( -7.775 -2.491 -1.207) 8.253 7.117 ( 7.775 -2.491 -1.207) 8.253 7.216 ( -6.261 -6.860 -0.424) 9.297 7.216 ( 6.261 -6.860 -0.424) 9.297 9.030 ( -16.254 15.424 -2.469) 22.543 9.030 ( 16.254 15.424 -2.469) 22.543 9.333 ( -17.363 -12.125 1.856) 21.259 9.333 ( 17.363 -12.125 1.856) 21.259 11.340 ( -16.778 15.001 -15.614) 27.392 11.340 ( 16.778 15.001 -15.614) 27.392 11.534 ( -25.938 -5.738 -22.550) 34.846 11.534 ( 25.938 -5.738 -22.550) 34.846 11.756 ( -13.475 22.308 -2.052) 26.143 11.756 ( 13.475 22.308 -2.052) 26.143 12.293 ( -11.652 -21.295 10.469) 26.436 12.293 ( 11.652 -21.295 10.469) 26.436 13.123 ( -1.696 1.680 5.240) 5.758 13.123 ( 1.696 1.680 5.240) 5.758 13.288 ( -4.499 -11.645 14.785) 19.351 13.288 ( 4.499 -11.645 14.785) 19.351 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 0.000 24.128) 24.128 1.382 ( 0.000 0.000 33.195) 33.195 1.458 ( 0.000 0.000 10.650) 10.650 1.669 ( 0.000 0.000 24.618) 24.618 1.915 ( 0.000 0.000 16.641) 16.641 1.982 ( 0.000 0.000 10.592) 10.592 2.213 ( 0.000 0.000 23.259) 23.259 2.561 ( 0.000 0.000 -6.524) 6.524 2.628 ( 0.000 0.000 5.792) 5.792 2.641 ( 0.000 0.000 -0.470) 0.470 2.873 ( 0.000 0.000 -3.438) 3.438 2.951 ( 0.000 0.000 6.947) 6.947 3.096 ( 0.000 0.000 1.618) 1.618 3.363 ( 0.000 0.000 -8.350) 8.350 3.466 ( 0.000 0.000 -12.199) 12.199 3.468 ( 0.000 0.000 -5.930) 5.930 3.573 ( 0.000 0.000 9.022) 9.022 3.603 ( 0.000 0.000 -1.550) 1.550 3.659 ( 0.000 0.000 -6.591) 6.591 3.730 ( 0.000 0.000 6.696) 6.696 3.874 ( 0.000 0.000 -10.291) 10.291 4.030 ( 0.000 0.000 7.555) 7.555 4.040 ( 0.000 0.000 -6.551) 6.551 4.559 ( 0.000 0.000 -0.807) 0.807 4.575 ( 0.000 0.000 -6.682) 6.682 4.641 ( 0.000 0.000 -10.113) 10.113 4.641 ( 0.000 0.000 8.871) 8.871 4.784 ( 0.000 0.000 4.806) 4.806 4.790 ( 0.000 0.000 4.620) 4.620 5.089 ( 0.000 0.000 17.584) 17.584 5.359 ( 0.000 0.000 14.904) 14.904 6.101 ( 0.000 0.000 -4.236) 4.236 6.122 ( 0.000 0.000 -15.588) 15.588 6.407 ( 0.000 0.000 10.720) 10.720 6.468 ( 0.000 0.000 3.941) 3.941 6.477 ( 0.000 0.000 6.465) 6.465 6.569 ( 0.000 0.000 6.513) 6.513 6.634 ( 0.000 0.000 12.418) 12.418 6.794 ( 0.000 0.000 14.285) 14.285 7.149 ( 0.000 0.000 -10.379) 10.379 7.189 ( 0.000 0.000 -6.121) 6.121 7.254 ( 0.000 0.000 -22.271) 22.271 7.540 ( 0.000 0.000 -6.983) 6.983 7.669 ( 0.000 0.000 -5.057) 5.057 8.159 ( 0.000 0.000 11.519) 11.519 8.762 ( 0.000 0.000 14.817) 14.817 9.619 ( 0.000 0.000 -19.957) 19.957 10.343 ( 0.000 0.000 -8.056) 8.056 10.492 ( 0.000 0.000 -6.057) 6.057 10.673 ( 0.000 0.000 20.808) 20.808 10.713 ( 0.000 0.000 -0.932) 0.932 11.005 ( 0.000 0.000 19.732) 19.732 11.253 ( 0.000 0.000 29.117) 29.117 12.391 ( 0.000 0.000 -11.381) 11.381 12.939 ( 0.000 0.000 -19.374) 19.374 13.093 ( 0.000 0.000 0.584) 0.584 13.098 ( 0.000 0.000 -14.151) 14.151 13.201 ( 0.000 0.000 9.854) 9.854 13.519 ( 0.000 0.000 -1.463) 1.463 14.142 ( 0.000 0.000 -21.360) 21.360 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -11.570 0.000 9.410) 14.913 1.442 ( 4.625 0.000 22.152) 22.630 1.515 ( 13.219 0.000 28.172) 31.119 1.824 ( 12.038 0.000 16.522) 20.443 2.094 ( 11.032 0.000 11.660) 16.052 2.161 ( 19.622 0.000 7.727) 21.089 2.317 ( 11.045 0.000 23.515) 25.980 2.540 ( -5.336 0.000 -8.020) 9.633 2.641 ( 1.299 0.000 6.495) 6.624 2.652 ( 1.763 0.000 -4.304) 4.651 2.984 ( -5.719 0.000 -3.863) 6.902 3.028 ( 15.198 0.000 -4.183) 15.763 3.032 ( 4.292 0.000 6.264) 7.593 3.210 ( -2.621 0.000 3.213) 4.146 3.433 ( -3.447 0.000 -3.588) 4.976 3.568 ( -1.251 0.000 0.388) 1.310 3.587 ( 2.939 0.000 -5.736) 6.445 3.614 ( -2.035 0.000 -4.887) 5.294 3.649 ( 2.007 0.000 -2.705) 3.369 3.669 ( -4.932 0.000 10.340) 11.456 3.929 ( -2.245 0.000 -8.951) 9.229 4.107 ( 7.584 0.000 8.569) 11.443 4.123 ( 12.963 0.000 -11.695) 17.459 4.411 ( -9.779 0.000 -2.377) 10.064 4.540 ( -1.918 0.000 3.194) 3.725 4.707 ( 2.798 0.000 2.533) 3.775 4.747 ( 5.361 0.000 -4.111) 6.756 4.807 ( 3.077 0.000 7.573) 8.174 4.816 ( 2.902 0.000 3.109) 4.253 5.044 ( -6.047 0.000 14.123) 15.363 5.349 ( 3.307 0.000 12.016) 12.463 5.995 ( -10.374 0.000 -9.478) 14.052 6.089 ( -4.013 0.000 -15.224) 15.744 6.395 ( -3.770 0.000 3.192) 4.940 6.528 ( 13.587 0.000 14.758) 20.061 6.535 ( 2.585 0.000 5.688) 6.248 6.692 ( 6.503 0.000 11.763) 13.441 6.740 ( 12.594 0.000 8.298) 15.082 6.839 ( 3.912 0.000 10.012) 10.749 7.053 ( -7.548 0.000 -6.560) 10.000 7.147 ( -5.090 0.000 -7.642) 9.182 7.180 ( -7.877 0.000 -20.486) 21.948 7.535 ( -0.826 0.000 -6.266) 6.320 7.652 ( -1.794 0.000 -4.637) 4.972 8.126 ( -1.762 0.000 10.978) 11.118 8.925 ( 15.697 0.000 15.327) 21.939 9.486 ( -13.259 0.000 -19.124) 23.271 10.311 ( -4.447 0.000 -12.366) 13.141 10.472 ( -0.784 0.000 0.605) 0.991 10.495 ( -11.550 0.000 17.140) 20.668 10.713 ( -0.315 0.000 0.005) 0.315 10.789 ( -11.299 0.000 13.462) 17.575 11.576 ( 22.893 0.000 26.990) 35.391 12.325 ( -12.147 0.000 -20.351) 23.701 12.698 ( -19.320 0.000 -22.363) 29.553 13.102 ( 8.489 0.000 8.659) 12.126 13.179 ( 2.662 0.000 -10.367) 10.703 13.371 ( 7.528 0.000 6.465) 9.923 13.629 ( 12.548 0.000 3.955) 13.156 14.041 ( -10.174 0.000 -19.858) 22.312 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -1.144 0.000 -2.804) 3.029 1.600 ( 10.809 0.000 11.905) 16.080 1.831 ( 19.045 0.000 18.913) 26.841 2.061 ( 11.686 0.000 7.625) 13.954 2.317 ( -15.444 0.000 -15.555) 21.920 2.349 ( 14.837 0.000 13.079) 19.779 2.477 ( 13.438 0.000 5.666) 14.583 2.561 ( 4.736 0.000 4.733) 6.695 2.634 ( 1.138 0.000 -4.527) 4.668 2.666 ( 0.870 0.000 8.529) 8.574 2.980 ( 7.674 0.000 4.928) 9.120 3.205 ( 1.849 0.000 5.453) 5.758 3.261 ( 14.727 0.000 14.527) 20.687 3.336 ( -6.407 0.000 -1.384) 6.555 3.355 ( 14.427 0.000 -4.482) 15.107 3.495 ( -5.263 0.000 -10.769) 11.987 3.537 ( -4.289 0.000 -1.506) 4.546 3.626 ( 2.198 0.000 15.209) 15.367 3.640 ( 4.000 0.000 -0.809) 4.081 3.717 ( 4.744 0.000 -4.087) 6.262 3.838 ( -5.500 0.000 -8.550) 10.167 4.236 ( -8.454 0.000 0.963) 8.509 4.301 ( -2.297 0.000 7.067) 7.431 4.312 ( 14.736 0.000 8.127) 16.829 4.493 ( 1.115 0.000 1.312) 1.721 4.748 ( -0.659 0.000 8.541) 8.566 4.825 ( 3.602 0.000 1.657) 3.965 4.850 ( 5.607 0.000 -0.661) 5.646 4.882 ( 3.250 0.000 0.410) 3.276 5.012 ( 3.637 0.000 3.752) 5.226 5.473 ( 8.203 0.000 10.227) 13.110 5.782 ( -11.247 0.000 -13.997) 17.956 5.944 ( -11.966 0.000 -11.806) 16.810 6.356 ( -0.008 0.000 0.015) 0.017 6.573 ( 1.646 0.000 1.776) 2.422 6.807 ( 12.940 0.000 13.023) 18.358 6.809 ( -8.301 0.000 -8.044) 11.559 6.867 ( 9.332 0.000 11.468) 14.785 6.877 ( -5.807 0.000 -7.834) 9.752 7.001 ( -5.466 0.000 -6.565) 8.542 7.045 ( 3.980 0.000 4.899) 6.312 7.047 ( 4.220 0.000 5.934) 7.282 7.505 ( -2.297 0.000 -5.369) 5.840 7.602 ( -3.655 0.000 -3.476) 5.044 8.149 ( 4.520 0.000 7.482) 8.741 9.174 ( -18.526 0.000 -17.409) 25.423 9.268 ( 18.483 0.000 18.827) 26.383 10.167 ( -10.105 0.000 -10.554) 14.612 10.407 ( 3.203 0.000 2.746) 4.218 10.486 ( 2.215 0.000 3.154) 3.854 10.664 ( 0.121 0.000 1.553) 1.558 10.723 ( 0.219 0.000 -1.633) 1.648 11.976 ( -22.708 0.000 -24.037) 33.067 12.011 ( 22.609 0.000 22.321) 31.771 12.275 ( -25.076 0.000 -25.150) 35.515 13.156 ( -5.000 0.000 -4.620) 6.808 13.187 ( -0.537 0.000 -2.162) 2.228 13.597 ( 15.097 0.000 17.323) 22.978 13.772 ( -11.493 0.000 -11.676) 16.384 13.902 ( 9.376 0.000 9.620) 13.434 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 14.306 0.000 -13.728) 19.827 1.771 ( -1.202 0.000 -6.915) 7.019 1.981 ( -6.140 0.000 -14.882) 16.099 2.189 ( 18.134 0.000 11.783) 21.626 2.285 ( 2.760 0.000 -1.573) 3.177 2.470 ( -1.715 0.000 -1.286) 2.143 2.596 ( 5.496 0.000 9.765) 11.205 2.649 ( 1.253 0.000 -2.537) 2.829 2.672 ( 4.552 0.000 12.189) 13.011 2.788 ( 10.935 0.000 10.154) 14.923 3.119 ( -0.641 0.000 11.481) 11.499 3.146 ( -12.455 0.000 1.382) 12.532 3.204 ( 4.827 0.000 4.548) 6.632 3.422 ( -2.156 0.000 -1.966) 2.918 3.425 ( -1.116 0.000 -6.069) 6.170 3.469 ( -0.940 0.000 -0.063) 0.942 3.584 ( 10.698 0.000 8.324) 13.555 3.708 ( 1.870 0.000 3.334) 3.823 3.751 ( -3.335 0.000 -5.749) 6.646 3.794 ( 11.545 0.000 6.528) 13.262 3.893 ( 12.023 0.000 2.697) 12.322 4.096 ( -6.653 0.000 3.967) 7.746 4.110 ( -9.611 0.000 17.331) 19.818 4.476 ( -7.575 0.000 9.807) 12.392 4.680 ( 23.824 0.000 3.044) 24.017 4.805 ( 8.530 0.000 2.964) 9.030 4.891 ( 3.494 0.000 3.425) 4.893 4.924 ( 1.149 0.000 1.259) 1.705 4.991 ( 4.093 0.000 5.109) 6.546 5.113 ( 8.445 0.000 -12.515) 15.098 5.527 ( -9.103 0.000 -12.657) 15.590 5.635 ( -20.666 0.000 -6.753) 21.741 5.718 ( 12.113 0.000 1.268) 12.179 6.392 ( 3.591 0.000 -3.409) 4.951 6.513 ( -23.349 0.000 -11.157) 25.878 6.590 ( -2.068 0.000 -4.760) 5.190 6.663 ( -3.515 0.000 -8.340) 9.051 6.846 ( -8.260 0.000 -12.007) 14.574 7.048 ( 11.700 0.000 7.967) 14.155 7.092 ( 9.583 0.000 16.796) 19.338 7.191 ( 6.563 0.000 15.451) 16.787 7.205 ( 9.537 0.000 4.896) 10.721 7.439 ( -5.245 0.000 -1.995) 5.611 7.511 ( -5.998 0.000 -1.584) 6.203 8.285 ( 9.782 0.000 1.937) 9.972 8.825 ( -17.979 0.000 -13.262) 22.341 9.559 ( 12.104 0.000 20.371) 23.695 9.958 ( -11.389 0.000 -0.630) 11.406 10.561 ( 4.896 0.000 1.023) 5.002 10.608 ( 17.355 0.000 -12.323) 21.285 10.684 ( -1.137 0.000 0.149) 1.146 10.841 ( 15.638 0.000 -14.378) 21.243 11.510 ( -26.226 0.000 -24.855) 36.133 11.773 ( -27.776 0.000 -25.682) 37.830 12.411 ( 19.661 0.000 15.644) 25.125 13.001 ( -11.169 0.000 1.516) 11.271 13.175 ( 0.892 0.000 -4.932) 5.012 13.469 ( -14.273 0.000 -10.905) 17.962 13.905 ( 12.630 0.000 21.177) 24.657 14.056 ( 4.874 0.000 18.616) 19.244 ======================= Grid point 94 (35/75) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -20.504 0.000 -18.820) 27.832 1.463 ( 20.504 0.000 -18.820) 27.832 2.141 ( -12.314 0.000 -7.947) 14.656 2.141 ( 12.314 0.000 -7.947) 14.656 2.480 ( -11.967 0.000 9.207) 15.099 2.480 ( 11.967 0.000 9.207) 15.099 2.579 ( -7.321 0.000 0.988) 7.388 2.579 ( 7.321 0.000 0.988) 7.388 2.897 ( -13.514 0.000 7.346) 15.381 2.897 ( 13.514 0.000 7.346) 15.381 2.987 ( -9.575 0.000 7.889) 12.406 2.987 ( 9.575 0.000 7.889) 12.406 3.344 ( -6.195 0.000 4.817) 7.847 3.344 ( 6.195 0.000 4.817) 7.847 3.435 ( -1.760 0.000 -1.924) 2.608 3.435 ( 1.760 0.000 -1.924) 2.608 3.704 ( -1.857 0.000 -2.781) 3.344 3.704 ( 1.857 0.000 -2.781) 3.344 3.815 ( -10.477 0.000 11.367) 15.459 3.815 ( 10.477 0.000 11.367) 15.459 3.970 ( -7.396 0.000 5.614) 9.285 3.970 ( 7.396 0.000 5.614) 9.285 4.258 ( -14.396 0.000 11.564) 18.465 4.258 ( 14.396 0.000 11.564) 18.465 4.921 ( -1.543 0.000 2.597) 3.021 4.921 ( 1.543 0.000 2.597) 3.021 4.960 ( -6.033 0.000 6.513) 8.878 4.960 ( 6.033 0.000 6.513) 8.878 5.185 ( -26.114 0.000 -2.088) 26.197 5.185 ( 26.114 0.000 -2.088) 26.197 5.318 ( -11.725 0.000 -18.154) 21.611 5.318 ( 11.725 0.000 -18.154) 21.611 6.065 ( -22.740 0.000 -3.720) 23.043 6.065 ( 22.740 0.000 -3.720) 23.043 6.484 ( -5.996 0.000 -5.710) 8.280 6.484 ( 5.996 0.000 -5.710) 8.280 6.712 ( -5.640 0.000 -11.016) 12.376 6.712 ( 5.640 0.000 -11.016) 12.376 7.189 ( -0.431 0.000 13.843) 13.850 7.189 ( 0.431 0.000 13.843) 13.850 7.306 ( -7.819 0.000 6.530) 10.187 7.306 ( 7.819 0.000 6.530) 10.187 7.376 ( -8.339 0.000 1.140) 8.417 7.376 ( 8.339 0.000 1.140) 8.417 8.516 ( -14.600 0.000 -6.053) 15.806 8.516 ( 14.600 0.000 -6.053) 15.806 9.756 ( -10.045 0.000 11.711) 15.429 9.756 ( 10.045 0.000 11.711) 15.429 10.640 ( -3.362 0.000 0.988) 3.505 10.640 ( 3.362 0.000 0.988) 3.505 11.019 ( -25.105 0.000 -21.602) 33.119 11.019 ( 25.105 0.000 -21.602) 33.119 11.255 ( -26.302 0.000 -23.032) 34.961 11.255 ( 26.302 0.000 -23.032) 34.961 12.745 ( -15.804 0.000 8.292) 17.848 12.745 ( 15.804 0.000 8.292) 17.848 13.254 ( -7.910 0.000 -7.479) 10.886 13.254 ( 7.910 0.000 -7.479) 10.886 14.066 ( -4.072 0.000 21.411) 21.795 14.066 ( 4.072 0.000 21.411) 21.795 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 4.628 17.514) 18.115 1.452 ( 0.000 16.273 19.206) 25.173 1.607 ( 0.000 8.258 9.483) 12.575 1.802 ( 0.000 10.353 17.493) 20.327 1.992 ( 0.000 1.561 11.393) 11.500 2.159 ( 0.000 4.411 9.632) 10.594 2.297 ( 0.000 15.385 20.205) 25.396 2.498 ( 0.000 -5.653 -5.362) 7.791 2.562 ( 0.000 -3.431 -3.377) 4.814 2.727 ( 0.000 4.535 4.466) 6.365 2.803 ( 0.000 -4.991 0.345) 5.003 2.980 ( 0.000 2.112 9.037) 9.281 3.044 ( 0.000 -4.320 -1.446) 4.556 3.233 ( 0.000 -9.192 -4.456) 10.215 3.304 ( 0.000 -8.159 1.118) 8.236 3.382 ( 0.000 -15.203 -0.962) 15.233 3.471 ( 0.000 -0.095 -9.862) 9.862 3.626 ( 0.000 2.205 -2.689) 3.478 3.651 ( 0.000 -10.989 -4.799) 11.991 3.745 ( 0.000 -2.558 5.832) 6.369 3.816 ( 0.000 -5.622 -2.578) 6.185 3.893 ( 0.000 4.156 2.309) 4.754 4.174 ( 0.000 9.243 3.748) 9.974 4.416 ( 0.000 -7.499 -0.910) 7.554 4.572 ( 0.000 4.426 9.814) 10.766 4.622 ( 0.000 -3.977 -2.515) 4.705 4.825 ( 0.000 3.355 5.321) 6.290 4.876 ( 0.000 8.315 5.886) 10.187 5.127 ( 0.000 23.807 -4.202) 24.176 5.162 ( 0.000 11.785 5.955) 13.204 5.274 ( 0.000 -5.467 12.370) 13.524 5.985 ( 0.000 -10.410 -4.194) 11.223 6.206 ( 0.000 3.951 -12.572) 13.178 6.273 ( 0.000 -11.219 9.068) 14.425 6.520 ( 0.000 -0.885 2.854) 2.988 6.522 ( 0.000 2.694 7.553) 8.019 6.540 ( 0.000 5.311 4.871) 7.207 6.632 ( 0.000 -0.007 11.609) 11.609 6.840 ( 0.000 2.810 13.025) 13.324 7.178 ( 0.000 -6.492 -21.537) 22.494 7.201 ( 0.000 4.107 -10.461) 11.239 7.237 ( 0.000 4.025 -6.056) 7.271 7.514 ( 0.000 -2.429 -6.730) 7.155 7.644 ( 0.000 -3.858 -5.547) 6.757 8.278 ( 0.000 9.494 11.792) 15.139 8.734 ( 0.000 -2.802 15.593) 15.843 9.635 ( 0.000 3.410 -18.353) 18.667 10.318 ( 0.000 -6.642 -17.993) 19.179 10.693 ( 0.000 17.815 7.757) 19.431 10.699 ( 0.000 2.643 20.709) 20.877 10.978 ( 0.000 -2.055 19.705) 19.812 11.004 ( 0.000 24.930 -2.027) 25.012 11.239 ( 0.000 -1.271 29.169) 29.197 12.433 ( 0.000 4.204 -12.506) 13.194 12.861 ( 0.000 -12.294 -7.249) 14.272 12.899 ( 0.000 -3.585 -19.198) 19.530 13.183 ( 0.000 -1.634 7.798) 7.967 13.218 ( 0.000 3.333 -8.471) 9.103 13.304 ( 0.000 -16.628 0.688) 16.642 13.986 ( 0.000 -14.013 -21.197) 25.410 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.12 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.965 13.124 7.817) 16.062 1.477 ( 9.423 10.684 13.483) 19.614 1.712 ( 9.248 10.924 18.091) 23.068 1.893 ( 7.249 6.927 14.282) 17.450 2.062 ( 8.016 -0.933 9.480) 12.450 2.269 ( 10.424 2.418 11.636) 15.808 2.411 ( 8.661 6.300 10.580) 15.055 2.481 ( -1.276 -1.830 -5.147) 5.610 2.607 ( 3.395 -2.773 -6.184) 7.580 2.702 ( -1.054 2.680 4.863) 5.652 2.944 ( 4.939 -2.900 2.261) 6.158 2.972 ( 4.117 -3.480 -5.244) 7.521 3.065 ( 6.629 0.403 5.019) 8.324 3.169 ( -2.355 -3.924 3.324) 5.657 3.294 ( -0.874 -8.417 2.200) 8.743 3.373 ( -0.681 -11.627 -1.705) 11.771 3.480 ( -0.280 -6.387 -0.559) 6.417 3.583 ( -1.886 -5.662 -2.726) 6.561 3.681 ( 4.802 2.615 -3.817) 6.668 3.786 ( -1.713 2.418 10.926) 11.321 3.836 ( 0.069 -2.935 -0.338) 2.956 4.029 ( 14.357 -5.529 -11.279) 19.076 4.215 ( 5.319 7.218 5.023) 10.278 4.437 ( 1.598 -8.175 1.330) 8.435 4.520 ( -5.556 4.795 7.615) 10.576 4.641 ( 0.892 -1.053 -1.878) 2.331 4.711 ( -10.844 8.491 0.848) 13.799 4.818 ( -1.420 1.635 5.240) 5.669 5.071 ( -6.255 5.045 8.412) 11.633 5.281 ( 7.658 -1.083 11.864) 14.163 5.336 ( 9.397 24.948 -0.856) 26.672 5.871 ( -11.052 -10.628 -9.786) 18.190 6.196 ( -3.289 7.491 -13.854) 16.089 6.386 ( 11.909 -10.458 12.647) 20.276 6.476 ( -1.263 4.376 5.173) 6.892 6.581 ( 2.874 3.902 6.222) 7.887 6.663 ( 9.338 -3.931 8.735) 13.377 6.692 ( 7.706 -1.940 9.426) 12.329 6.879 ( 3.749 2.301 9.956) 10.885 7.098 ( -7.681 0.043 -13.170) 15.246 7.115 ( -7.520 -2.011 -14.229) 16.219 7.197 ( -4.904 4.373 -7.366) 9.871 7.500 ( -1.527 -3.277 -6.163) 7.145 7.615 ( -2.962 -4.704 -5.000) 7.477 8.271 ( 0.258 11.955 10.347) 15.813 8.885 ( 14.564 -3.956 15.599) 21.705 9.513 ( -12.169 4.233 -17.706) 21.898 10.248 ( -7.113 -7.525 -15.860) 18.940 10.498 ( -9.507 2.370 14.415) 17.429 10.711 ( -8.219 4.416 12.568) 15.653 10.844 ( -0.487 18.370 8.757) 20.356 10.996 ( -0.845 24.271 -2.110) 24.377 11.571 ( 23.824 -0.530 27.352) 36.277 12.364 ( -11.830 3.559 -20.123) 23.612 12.619 ( -18.037 -7.686 -19.535) 27.678 12.967 ( 5.385 -9.273 -2.155) 10.938 13.224 ( 3.726 1.812 -3.729) 5.574 13.250 ( 3.313 -11.860 6.640) 13.990 13.491 ( 14.972 -8.386 4.870) 17.838 13.889 ( -9.889 -13.575 -19.523) 25.753 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -1.215 19.107 -3.339) 19.434 1.723 ( 12.464 9.665 6.827) 17.187 1.894 ( 11.868 5.719 18.106) 22.392 2.055 ( 6.949 -1.810 0.713) 7.216 2.180 ( -0.294 -5.179 -0.617) 5.223 2.411 ( 3.294 0.968 -1.875) 3.912 2.508 ( 11.705 2.400 14.764) 18.994 2.556 ( -1.182 -1.176 -3.863) 4.208 2.623 ( 2.714 -0.795 -2.125) 3.537 2.714 ( 2.154 1.468 7.212) 7.668 2.982 ( 7.162 0.297 4.523) 8.476 3.106 ( -3.307 -9.409 2.919) 10.392 3.159 ( 4.122 -3.305 3.722) 6.463 3.290 ( 9.824 -7.658 -2.141) 12.639 3.331 ( 2.911 -7.692 -2.938) 8.733 3.420 ( 11.704 4.541 11.046) 16.722 3.470 ( 1.061 -8.530 3.389) 9.240 3.583 ( 1.585 0.283 5.473) 5.705 3.722 ( -2.731 4.132 7.027) 8.597 3.795 ( 5.400 6.229 -5.576) 9.953 3.830 ( -0.326 -5.327 -3.779) 6.540 4.249 ( 7.221 -5.173 0.361) 8.890 4.332 ( -10.572 10.838 -3.272) 15.490 4.381 ( -2.579 0.313 15.165) 15.386 4.440 ( 8.838 -1.019 -0.958) 8.948 4.573 ( 1.319 -0.349 -3.048) 3.340 4.711 ( 2.659 -3.860 4.149) 6.260 4.800 ( 1.836 -2.410 0.388) 3.054 5.003 ( 0.859 1.892 1.985) 2.874 5.454 ( 4.462 19.178 4.244) 20.142 5.491 ( 9.951 11.288 10.663) 18.443 5.651 ( -10.344 -10.098 -12.830) 19.328 6.046 ( -12.673 8.177 -11.467) 18.947 6.440 ( 0.536 6.950 0.254) 6.976 6.630 ( 2.814 4.644 2.860) 6.137 6.691 ( 14.606 -11.608 16.353) 24.809 6.812 ( 1.906 -4.631 1.147) 5.138 6.827 ( 0.418 -2.774 0.594) 2.868 6.879 ( -5.906 4.529 -6.366) 9.794 6.974 ( 1.387 -5.289 3.119) 6.295 7.042 ( 4.975 0.250 5.416) 7.358 7.071 ( -7.317 4.292 -8.220) 11.812 7.461 ( -2.483 -4.209 -5.659) 7.477 7.540 ( -4.918 -6.576 -3.943) 9.109 8.318 ( 4.826 14.861 6.957) 17.104 9.204 ( 16.913 -6.004 17.635) 25.161 9.225 ( -16.739 5.945 -15.891) 23.834 10.073 ( -10.822 -8.815 -10.839) 17.672 10.428 ( 2.865 1.997 2.655) 4.387 10.609 ( 0.332 -0.178 0.509) 0.633 10.879 ( 2.885 27.807 2.944) 28.111 10.974 ( -1.477 22.484 -1.723) 22.598 11.992 ( -0.714 1.679 -1.898) 2.633 12.055 ( 1.814 3.458 1.321) 4.122 12.214 ( -24.276 -5.730 -24.250) 34.789 13.016 ( -1.295 -15.546 -3.618) 16.014 13.195 ( -3.506 3.233 -1.713) 5.067 13.468 ( 12.370 -11.456 14.318) 22.120 13.655 ( -11.201 -10.666 -11.842) 19.480 13.755 ( 11.566 -10.924 11.759) 19.784 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.38 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 9.202 14.872 -11.830) 21.114 1.810 ( -9.664 2.574 -9.936) 14.098 2.002 ( 3.421 3.743 -7.030) 8.668 2.180 ( 15.243 -3.717 10.527) 18.894 2.272 ( 4.634 -0.567 -1.653) 4.953 2.428 ( -4.752 -3.509 -1.929) 6.214 2.515 ( 2.486 -5.017 0.355) 5.611 2.653 ( -1.800 -1.943 3.502) 4.391 2.729 ( 7.869 4.989 14.770) 17.464 2.812 ( 9.913 0.328 8.701) 13.195 2.997 ( -6.556 -5.396 4.613) 9.663 3.111 ( 2.625 -1.455 11.574) 11.957 3.234 ( 5.638 -0.888 8.109) 9.916 3.326 ( 0.843 -6.205 -0.772) 6.309 3.356 ( -2.144 -5.575 -2.127) 6.340 3.542 ( -1.070 3.231 3.997) 5.250 3.586 ( 5.415 -3.666 6.312) 9.089 3.643 ( 0.669 -5.762 6.785) 8.927 3.763 ( 8.401 4.487 3.144) 10.030 3.825 ( 0.621 -2.555 -1.914) 3.252 3.916 ( 6.105 3.801 -2.974) 7.782 4.106 ( -10.232 9.427 -4.121) 14.511 4.198 ( -3.200 3.883 15.658) 16.447 4.405 ( -0.481 -3.913 4.740) 6.165 4.627 ( 3.917 -6.901 0.774) 7.973 4.724 ( 3.672 -3.042 6.751) 8.265 4.771 ( 17.671 4.188 1.304) 18.207 4.938 ( 12.017 -5.871 -13.333) 18.885 5.110 ( 10.250 3.734 -2.835) 11.271 5.386 ( -10.380 -7.077 -14.443) 19.143 5.479 ( -5.223 18.933 3.361) 19.926 5.725 ( -20.768 7.699 -6.625) 23.119 5.760 ( 14.503 7.512 9.573) 18.932 6.458 ( -7.638 2.656 -5.406) 9.727 6.512 ( -9.840 3.473 -6.280) 12.179 6.672 ( -0.634 7.011 -3.581) 7.898 6.740 ( -3.629 6.618 -7.450) 10.605 6.911 ( -5.388 3.327 -6.928) 9.386 6.963 ( 8.498 -8.858 13.527) 18.266 7.009 ( 9.252 -4.503 7.513) 12.740 7.090 ( 6.120 -8.205 12.553) 16.198 7.192 ( 8.284 -3.020 4.476) 9.889 7.394 ( -5.675 -4.234 -2.769) 7.603 7.439 ( -5.211 -7.547 -2.879) 9.613 8.443 ( 8.345 14.775 2.465) 17.147 8.906 ( -16.106 8.753 -11.856) 21.830 9.479 ( 11.619 -7.709 18.309) 23.014 9.862 ( -11.090 -9.024 -1.560) 14.382 10.598 ( 13.921 1.939 -9.275) 16.840 10.764 ( 15.645 1.663 -13.568) 20.776 10.927 ( -1.573 21.933 -0.677) 21.999 10.966 ( 5.179 22.359 -2.912) 23.135 11.568 ( -25.034 6.032 -23.288) 34.719 11.724 ( -27.042 -4.280 -25.352) 37.314 12.435 ( 19.547 0.793 16.722) 25.736 12.949 ( -6.206 -13.761 0.463) 15.103 13.118 ( -2.816 3.630 -1.587) 4.861 13.344 ( -13.049 -9.945 -9.536) 18.977 13.777 ( 11.623 -11.823 19.671) 25.726 13.915 ( 4.851 -11.854 17.438) 21.636 ======================= Grid point 103 (40/75) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -15.624 6.590 -16.196) 23.448 1.528 ( 15.624 6.590 -16.196) 23.448 2.167 ( -10.110 2.848 -5.824) 12.010 2.167 ( 10.110 2.848 -5.824) 12.010 2.408 ( -6.038 -8.629 5.074) 11.691 2.408 ( 6.038 -8.629 5.074) 11.691 2.556 ( -5.700 -2.598 2.561) 6.768 2.556 ( 5.700 -2.598 2.561) 6.768 2.864 ( -6.525 0.149 8.205) 10.484 2.864 ( 6.525 0.149 8.205) 10.484 3.024 ( -9.545 1.760 12.812) 16.073 3.024 ( 9.545 1.760 12.812) 16.073 3.318 ( -1.668 -2.897 -1.142) 3.533 3.318 ( 1.668 -2.897 -1.142) 3.533 3.425 ( -8.986 -0.201 10.600) 13.898 3.425 ( 8.986 -0.201 10.600) 13.898 3.647 ( -0.957 -8.688 3.150) 9.291 3.647 ( 0.957 -8.688 3.150) 9.291 3.843 ( -0.246 4.998 0.324) 5.015 3.843 ( 0.246 4.998 0.324) 5.015 3.971 ( -3.475 3.515 -1.600) 5.195 3.971 ( 3.475 3.515 -1.600) 5.195 4.299 ( -9.050 2.850 11.008) 14.532 4.299 ( 9.050 2.850 11.008) 14.532 4.693 ( -3.062 -7.445 3.775) 8.891 4.693 ( 3.062 -7.445 3.775) 8.891 5.162 ( -10.243 -9.148 -18.239) 22.831 5.162 ( 10.243 -9.148 -18.239) 22.831 5.235 ( -21.368 6.253 -4.251) 22.666 5.235 ( 21.368 6.253 -4.251) 22.666 5.359 ( -12.885 13.762 2.616) 19.033 5.359 ( 12.885 13.762 2.616) 19.033 6.085 ( -19.984 3.867 1.321) 20.397 6.085 ( 19.984 3.867 1.321) 20.397 6.576 ( -5.792 8.090 -5.225) 11.238 6.576 ( 5.792 8.090 -5.225) 11.238 6.791 ( -5.500 6.652 -9.233) 12.639 6.791 ( 5.500 6.652 -9.233) 12.639 7.082 ( -2.149 -10.210 15.778) 18.916 7.082 ( 2.149 -10.210 15.778) 18.916 7.238 ( -9.053 -5.652 2.572) 10.978 7.238 ( 9.053 -5.652 2.572) 10.978 7.338 ( -6.021 -4.868 0.065) 7.743 7.338 ( 6.021 -4.868 0.065) 7.743 8.636 ( -12.330 12.089 -4.708) 17.898 8.636 ( 12.330 12.089 -4.708) 17.898 9.669 ( -9.572 -8.397 10.044) 16.217 9.669 ( 9.572 -8.397 10.044) 16.217 10.838 ( -8.274 12.572 -5.229) 15.933 10.838 ( 8.274 12.572 -5.229) 15.933 11.119 ( -20.726 10.884 -17.208) 29.054 11.119 ( 20.726 10.884 -17.208) 29.054 11.232 ( -23.082 0.687 -20.639) 30.971 11.232 ( 23.082 0.687 -20.639) 30.971 12.754 ( -14.139 -3.034 9.281) 17.183 12.754 ( 14.139 -3.034 9.281) 17.183 13.152 ( -6.489 -5.554 -5.924) 10.394 13.152 ( 6.489 -5.554 -5.924) 10.394 13.926 ( -3.792 -12.422 20.062) 23.899 13.926 ( 3.792 -12.422 20.062) 23.899 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 16.239 2.461) 16.424 1.764 ( 0.000 3.060 7.971) 8.538 1.835 ( 0.000 12.033 0.744) 12.056 1.982 ( 0.000 12.101 7.918) 14.462 2.049 ( 0.000 -2.417 1.971) 3.119 2.224 ( 0.000 5.664 12.517) 13.739 2.344 ( 0.000 -13.190 1.197) 13.245 2.402 ( 0.000 -6.373 -2.948) 7.022 2.488 ( 0.000 5.729 3.478) 6.702 2.732 ( 0.000 -5.789 -0.613) 5.822 2.822 ( 0.000 4.360 2.751) 5.155 2.946 ( 0.000 -5.797 3.329) 6.685 2.998 ( 0.000 -4.292 -1.687) 4.612 3.052 ( 0.000 -6.776 -3.553) 7.651 3.129 ( 0.000 -3.268 4.420) 5.497 3.133 ( 0.000 -5.282 1.874) 5.605 3.427 ( 0.000 4.507 9.930) 10.905 3.607 ( 0.000 -8.767 4.395) 9.807 3.657 ( 0.000 10.405 -1.058) 10.459 3.693 ( 0.000 3.448 -3.136) 4.661 3.781 ( 0.000 -1.174 -5.283) 5.411 3.917 ( 0.000 -6.462 4.032) 7.616 4.335 ( 0.000 5.639 5.765) 8.065 4.336 ( 0.000 2.117 12.175) 12.358 4.518 ( 0.000 -4.989 -0.905) 5.070 4.529 ( 0.000 -6.379 13.755) 15.162 4.920 ( 0.000 5.568 7.920) 9.681 5.041 ( 0.000 -2.977 9.831) 10.272 5.259 ( 0.000 16.515 1.564) 16.589 5.545 ( 0.000 18.526 -2.242) 18.661 5.630 ( 0.000 19.761 -4.527) 20.273 5.678 ( 0.000 -17.201 -1.884) 17.304 5.971 ( 0.000 -15.230 4.393) 15.851 6.081 ( 0.000 -14.364 -1.487) 14.440 6.572 ( 0.000 1.850 9.253) 9.436 6.595 ( 0.000 0.548 8.016) 8.034 6.665 ( 0.000 9.953 -1.192) 10.025 6.727 ( 0.000 9.776 -1.865) 9.952 6.835 ( 0.000 -4.259 9.270) 10.202 6.973 ( 0.000 -11.877 -18.045) 21.603 7.334 ( 0.000 7.781 -9.721) 12.452 7.338 ( 0.000 5.141 -6.021) 7.917 7.442 ( 0.000 -4.275 -6.316) 7.627 7.509 ( 0.000 -8.031 -7.504) 10.991 8.482 ( 0.000 8.828 15.009) 17.413 8.640 ( 0.000 -6.033 16.441) 17.513 9.809 ( 0.000 12.418 -16.919) 20.987 10.097 ( 0.000 -13.223 -17.354) 21.818 10.776 ( 0.000 4.349 20.726) 21.177 10.866 ( 0.000 -3.243 20.287) 20.545 11.064 ( 0.000 9.517 22.560) 24.485 11.191 ( 0.000 -3.284 29.209) 29.393 11.672 ( 0.000 35.541 -4.420) 35.815 12.382 ( 0.000 -25.371 -8.559) 26.776 12.650 ( 0.000 4.503 -17.349) 17.923 12.794 ( 0.000 -6.213 -18.861) 19.858 13.070 ( 0.000 -0.538 -0.724) 0.902 13.133 ( 0.000 -3.210 2.571) 4.112 13.316 ( 0.000 7.480 -11.225) 13.489 13.611 ( 0.000 -18.950 -19.010) 26.842 ======================= Grid point 109 (42/75) ======================= q-point: ( 0.12 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 4.541 15.370 0.354) 16.030 1.822 ( 1.652 7.176 -1.490) 7.513 1.861 ( 6.950 9.115 4.768) 12.414 2.054 ( 1.329 2.974 3.014) 4.438 2.065 ( 5.503 4.359 8.167) 10.770 2.305 ( 2.399 -5.331 8.362) 10.203 2.359 ( 7.540 0.639 4.280) 8.693 2.487 ( 5.670 -5.757 -3.229) 8.701 2.526 ( 3.701 2.448 4.232) 6.132 2.717 ( -2.086 -4.416 1.223) 5.034 2.875 ( 5.651 -1.364 0.406) 5.827 2.932 ( 0.382 -0.340 4.379) 4.409 3.005 ( 1.437 -6.194 0.989) 6.435 3.060 ( 1.396 -10.179 -1.954) 10.458 3.108 ( -1.386 -3.963 -1.542) 4.473 3.135 ( 1.684 -5.096 4.689) 7.127 3.470 ( 5.907 9.965 14.521) 18.575 3.614 ( -0.190 4.633 -1.084) 4.762 3.686 ( 2.248 -4.506 1.404) 5.228 3.786 ( 5.730 -4.031 6.328) 9.441 3.822 ( 4.778 4.510 -5.406) 8.508 3.967 ( 6.026 -3.534 -4.100) 8.100 4.310 ( -0.645 1.991 7.411) 7.701 4.369 ( 1.660 1.650 11.105) 11.348 4.490 ( -3.190 -3.447 9.962) 11.013 4.547 ( 2.803 -5.229 0.823) 5.990 4.846 ( -4.879 5.119 4.638) 8.457 4.961 ( -5.851 -3.279 6.456) 9.310 5.174 ( -13.170 17.118 -9.640) 23.652 5.528 ( 3.648 9.828 5.140) 11.676 5.579 ( -4.770 -5.608 -5.715) 9.320 5.827 ( 11.302 15.322 0.499) 19.046 6.049 ( 12.224 -14.860 12.165) 22.765 6.225 ( 6.511 -9.779 -3.067) 12.142 6.582 ( 1.220 3.932 6.899) 8.034 6.629 ( 3.402 0.618 5.325) 6.349 6.685 ( 1.834 5.672 -1.039) 6.051 6.716 ( 0.185 7.098 4.599) 8.460 6.863 ( 2.863 -4.521 7.919) 9.557 6.918 ( -5.646 -10.636 -16.174) 20.164 7.239 ( -7.182 7.710 -8.108) 13.295 7.317 ( -4.105 6.555 -6.896) 10.362 7.398 ( -4.015 -6.340 -6.423) 9.878 7.471 ( -4.034 -7.781 -6.462) 10.889 8.537 ( 5.737 11.914 12.899) 18.473 8.754 ( 11.114 -8.343 15.219) 20.609 9.705 ( -10.329 13.294 -15.975) 23.208 10.011 ( -8.584 -13.997 -15.711) 22.725 10.570 ( -10.550 4.145 15.038) 18.831 10.662 ( -11.212 -4.165 14.892) 19.100 11.325 ( 16.598 17.779 17.354) 29.879 11.534 ( 24.439 -3.568 26.644) 36.330 11.642 ( -2.994 33.666 -4.529) 34.101 12.293 ( -9.907 -22.406 -12.270) 27.400 12.504 ( -13.890 6.036 -19.095) 24.372 12.706 ( -7.244 -13.422 -14.361) 20.949 13.083 ( 3.688 2.336 2.563) 5.062 13.223 ( 5.071 -4.397 -0.164) 6.714 13.390 ( 6.552 0.201 -3.650) 7.503 13.550 ( -5.445 -14.816 -14.853) 21.674 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.25 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 1.381 19.927 -4.052) 20.382 1.892 ( 4.751 1.928 -3.983) 6.493 1.970 ( 2.471 1.242 -5.504) 6.160 2.075 ( 2.334 8.296 9.802) 13.052 2.151 ( 2.764 0.297 1.970) 3.407 2.311 ( 0.337 -13.164 -0.123) 13.169 2.493 ( -3.583 -0.320 -1.868) 4.054 2.562 ( 6.238 -2.992 4.728) 8.380 2.633 ( 7.957 4.433 8.162) 12.230 2.711 ( 4.258 0.198 8.906) 9.873 2.936 ( 2.918 -3.710 6.724) 8.215 3.002 ( 3.791 -2.844 11.377) 12.324 3.096 ( 6.378 -7.912 -2.207) 10.400 3.115 ( 2.937 -2.967 0.473) 4.201 3.152 ( 6.218 -2.830 -0.122) 6.833 3.221 ( 8.570 -6.951 5.294) 12.239 3.605 ( 2.293 3.760 -1.127) 4.546 3.656 ( 9.411 9.786 13.424) 19.093 3.697 ( -0.575 -4.027 -2.160) 4.605 3.797 ( -2.302 -0.000 10.171) 10.429 3.978 ( 7.773 7.378 -4.755) 11.725 4.107 ( 8.086 -6.455 -3.275) 10.853 4.294 ( -3.283 -2.151 10.635) 11.336 4.368 ( 0.110 -5.695 5.132) 7.667 4.526 ( 9.300 5.839 0.724) 11.005 4.626 ( 5.231 -3.876 2.143) 6.854 4.791 ( -0.388 4.531 1.328) 4.738 4.860 ( -8.622 11.847 -6.927) 16.208 4.948 ( -3.956 0.660 -4.950) 6.371 5.304 ( -13.471 -17.923 -15.459) 27.234 5.822 ( 15.721 21.742 15.874) 31.175 5.969 ( 1.918 18.476 1.788) 18.661 6.189 ( -9.802 1.496 -7.757) 12.589 6.323 ( 14.436 -20.437 16.155) 29.783 6.614 ( 2.124 7.212 2.841) 8.037 6.691 ( -1.254 -2.596 -1.401) 3.205 6.741 ( 1.878 -1.078 4.533) 5.024 6.756 ( 5.401 -4.249 4.783) 8.373 6.812 ( -0.649 -0.281 -1.611) 1.759 6.943 ( 5.416 -6.039 4.684) 9.367 7.094 ( -7.738 9.237 -7.036) 13.953 7.210 ( -6.403 7.501 -7.597) 12.449 7.313 ( -4.756 -9.822 -6.280) 12.590 7.373 ( -5.776 -7.649 -5.912) 11.261 8.679 ( 8.573 17.226 9.811) 21.599 9.002 ( 13.723 -12.740 14.482) 23.672 9.462 ( -14.323 15.400 -13.450) 24.964 9.808 ( -12.099 -15.583 -11.624) 22.899 10.487 ( 2.196 3.352 1.995) 4.476 10.560 ( 1.235 -3.294 1.077) 3.679 11.550 ( -6.384 28.279 -6.665) 29.747 11.558 ( 7.570 30.203 7.727) 32.081 11.973 ( 19.610 -7.578 19.143) 28.433 12.008 ( -19.405 -13.531 -20.317) 31.183 12.192 ( -17.384 10.378 -17.322) 26.645 12.573 ( -6.373 -23.577 -6.970) 25.398 13.214 ( 9.191 -5.046 10.150) 14.593 13.248 ( -2.596 -5.809 -2.412) 6.805 13.431 ( -2.440 -1.996 -2.601) 4.086 13.548 ( 5.933 -8.626 6.316) 12.227 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.38 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.828 21.429 -7.388) 22.740 1.867 ( -5.861 3.527 -8.315) 10.767 2.033 ( 4.109 -7.420 1.485) 8.610 2.155 ( 4.321 3.834 -1.538) 5.978 2.177 ( 0.705 -8.194 -0.613) 8.247 2.336 ( 2.579 -7.680 0.233) 8.105 2.398 ( -4.864 1.779 -3.778) 6.410 2.540 ( -4.361 -8.976 -0.492) 9.992 2.830 ( 8.907 4.888 11.271) 15.175 2.860 ( 9.448 5.410 17.494) 20.605 2.972 ( 0.803 0.158 12.813) 12.839 3.070 ( 1.678 -4.945 15.265) 16.133 3.193 ( 5.553 -1.746 4.166) 7.159 3.205 ( 5.581 -4.125 -0.782) 6.984 3.255 ( 3.918 0.394 6.115) 7.273 3.366 ( 4.129 -9.372 7.222) 12.531 3.608 ( -0.952 3.060 -0.304) 3.219 3.700 ( 1.793 -5.545 -1.968) 6.151 3.708 ( -5.015 6.149 5.863) 9.866 3.813 ( 1.491 -2.216 7.278) 7.752 4.088 ( 6.503 10.328 -3.487) 12.694 4.249 ( 4.403 -3.298 4.458) 7.081 4.265 ( 2.116 4.384 8.780) 10.039 4.375 ( -0.666 -2.069 0.046) 2.174 4.652 ( -2.401 10.794 -14.220) 18.014 4.670 ( -1.544 0.968 1.049) 2.102 4.764 ( 3.428 -6.208 -9.966) 12.232 4.928 ( 17.514 6.768 -2.086) 18.892 5.029 ( -0.243 -12.122 -12.813) 17.640 5.133 ( 8.065 -9.797 -7.973) 14.987 5.836 ( -17.267 10.056 -5.590) 20.749 5.901 ( -18.126 5.209 -4.962) 19.502 6.105 ( 13.621 22.357 17.146) 31.295 6.499 ( -5.425 2.940 5.672) 8.381 6.607 ( 7.544 -16.245 15.638) 23.777 6.691 ( 4.551 9.580 -1.207) 10.674 6.785 ( 1.102 -10.466 11.154) 15.335 6.865 ( 2.090 6.549 0.005) 6.874 6.873 ( 4.693 -3.387 -0.413) 5.802 6.977 ( -2.351 4.601 -3.631) 6.315 7.039 ( 2.452 -2.998 -1.138) 4.037 7.111 ( -1.711 3.648 -5.065) 6.472 7.215 ( -5.866 -11.655 -4.525) 13.811 7.272 ( -4.799 -7.327 -5.474) 10.329 8.838 ( 8.178 20.203 6.335) 22.697 9.203 ( -12.639 17.890 -8.097) 23.353 9.229 ( 10.124 -15.717 12.731) 22.618 9.585 ( -11.028 -16.615 -4.221) 20.383 10.652 ( 14.838 3.101 -11.377) 18.953 10.722 ( 15.641 -3.231 -13.403) 20.850 11.356 ( -15.007 15.116 -14.739) 25.903 11.576 ( -23.685 -5.956 -22.627) 33.293 11.656 ( 2.085 33.628 0.843) 33.704 11.876 ( -12.678 23.495 -10.268) 28.604 12.281 ( 10.491 -19.583 10.358) 24.512 12.472 ( -4.318 -28.228 -2.274) 28.646 13.199 ( -0.361 3.884 2.527) 4.647 13.321 ( -1.154 9.395 7.490) 12.071 13.462 ( 7.319 -14.104 13.355) 20.756 13.626 ( 1.462 -14.388 12.649) 19.214 ======================= Grid point 112 (45/75) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -4.934 14.769 -8.721) 17.847 1.757 ( 4.934 14.769 -8.721) 17.847 2.111 ( -4.262 -16.849 0.894) 17.403 2.111 ( 4.262 -16.849 0.894) 17.403 2.279 ( -5.904 6.657 -3.889) 9.711 2.279 ( 5.904 6.657 -3.889) 9.711 2.441 ( -5.672 -7.547 -0.934) 9.487 2.441 ( 5.672 -7.547 -0.934) 9.487 2.938 ( -2.971 5.447 13.402) 14.769 2.938 ( 2.971 5.447 13.402) 14.769 3.029 ( -5.624 -2.003 16.217) 17.280 3.029 ( 5.624 -2.003 16.217) 17.280 3.269 ( -2.205 -0.274 4.969) 5.443 3.269 ( 2.205 -0.274 4.969) 5.443 3.337 ( -6.402 -6.058 8.812) 12.463 3.337 ( 6.402 -6.058 8.812) 12.463 3.623 ( -3.244 5.113 0.235) 6.060 3.623 ( 3.244 5.113 0.235) 6.060 3.763 ( -4.298 -6.986 2.720) 8.641 3.763 ( 4.298 -6.986 2.720) 8.641 4.221 ( -5.852 11.949 -3.231) 13.692 4.221 ( 5.852 11.949 -3.231) 13.692 4.336 ( -3.493 -0.197 8.618) 9.301 4.336 ( 3.493 -0.197 8.618) 9.301 4.635 ( -1.525 3.427 -5.386) 6.564 4.635 ( 1.525 3.427 -5.386) 6.564 4.867 ( -7.548 -15.445 -18.508) 25.259 4.867 ( 7.548 -15.445 -18.508) 25.259 5.397 ( -26.011 7.772 -5.872) 27.775 5.397 ( 26.011 7.772 -5.872) 27.775 5.512 ( -22.991 -1.127 -5.350) 23.632 5.512 ( 22.991 -1.127 -5.350) 23.632 6.331 ( -10.388 18.767 13.653) 25.427 6.331 ( 10.388 18.767 13.653) 25.427 6.752 ( -4.969 -17.886 16.111) 24.580 6.752 ( 4.969 -17.886 16.111) 24.580 6.794 ( -5.882 11.173 -3.854) 13.201 6.794 ( 5.882 11.173 -3.854) 13.201 6.958 ( -4.022 3.749 -5.222) 7.583 6.958 ( 4.022 3.749 -5.222) 7.583 7.084 ( -6.227 -6.065 -1.892) 8.896 7.084 ( 6.227 -6.065 -1.892) 8.896 7.185 ( -4.549 -8.288 -2.760) 9.848 7.185 ( 4.549 -8.288 -2.760) 9.848 8.997 ( -9.304 19.979 -0.328) 22.041 8.997 ( 9.304 19.979 -0.328) 22.041 9.400 ( -8.872 -16.658 5.434) 19.640 9.400 ( 8.872 -16.658 5.434) 19.640 11.002 ( -20.695 5.250 -18.545) 28.281 11.002 ( 20.695 5.250 -18.545) 28.281 11.109 ( -24.050 -4.815 -21.740) 32.775 11.109 ( 24.050 -4.815 -21.740) 32.775 11.720 ( -4.808 33.425 -1.759) 33.815 11.720 ( 4.808 33.425 -1.759) 33.815 12.403 ( -3.811 -28.010 1.850) 28.329 12.403 ( 3.811 -28.010 1.850) 28.329 13.249 ( -4.647 13.148 7.457) 15.814 13.249 ( 4.647 13.148 7.457) 15.814 13.593 ( -4.903 -17.547 15.628) 24.004 13.593 ( 4.903 -17.547 15.628) 24.004 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 0.000 16.198) 16.198 1.701 ( 0.000 0.000 14.294) 14.294 1.942 ( 0.000 0.000 25.393) 25.393 2.008 ( 0.000 0.000 0.338) 0.338 2.155 ( 0.000 0.000 24.976) 24.976 2.185 ( 0.000 0.000 9.870) 9.870 2.375 ( 0.000 0.000 -13.298) 13.298 2.594 ( 0.000 0.000 11.947) 11.947 2.625 ( 0.000 0.000 -0.265) 0.265 2.705 ( 0.000 0.000 1.560) 1.560 2.780 ( 0.000 0.000 -6.010) 6.010 2.901 ( 0.000 0.000 -13.014) 13.014 3.042 ( 0.000 0.000 -4.456) 4.456 3.208 ( 0.000 0.000 -7.383) 7.383 3.360 ( 0.000 0.000 -5.122) 5.122 3.417 ( 0.000 0.000 -10.488) 10.488 3.557 ( 0.000 0.000 5.541) 5.541 3.602 ( 0.000 0.000 0.560) 0.560 3.650 ( 0.000 0.000 17.185) 17.185 3.725 ( 0.000 0.000 -4.948) 4.948 3.883 ( 0.000 0.000 -8.892) 8.892 4.159 ( 0.000 0.000 22.308) 22.308 4.176 ( 0.000 0.000 7.813) 7.813 4.391 ( 0.000 0.000 -13.062) 13.062 4.466 ( 0.000 0.000 -8.356) 8.356 4.531 ( 0.000 0.000 -2.551) 2.551 4.794 ( 0.000 0.000 6.647) 6.647 4.862 ( 0.000 0.000 2.860) 2.860 4.944 ( 0.000 0.000 13.289) 13.289 5.448 ( 0.000 0.000 19.169) 19.169 5.687 ( 0.000 0.000 20.843) 20.843 5.761 ( 0.000 0.000 -22.374) 22.374 5.969 ( 0.000 0.000 -9.273) 9.273 6.560 ( 0.000 0.000 0.146) 0.146 6.561 ( 0.000 0.000 5.722) 5.722 6.620 ( 0.000 0.000 8.028) 8.028 6.678 ( 0.000 0.000 4.464) 4.464 6.797 ( 0.000 0.000 -21.305) 21.305 6.887 ( 0.000 0.000 14.012) 14.012 6.890 ( 0.000 0.000 -6.244) 6.244 7.044 ( 0.000 0.000 -9.077) 9.077 7.136 ( 0.000 0.000 11.557) 11.557 7.373 ( 0.000 0.000 -10.665) 10.665 7.546 ( 0.000 0.000 -8.125) 8.125 8.429 ( 0.000 0.000 17.103) 17.103 9.103 ( 0.000 0.000 20.926) 20.926 9.212 ( 0.000 0.000 -22.602) 22.602 9.987 ( 0.000 0.000 -23.458) 23.458 10.533 ( 0.000 0.000 4.700) 4.700 10.681 ( 0.000 0.000 -2.505) 2.505 11.120 ( 0.000 0.000 26.038) 26.038 11.449 ( 0.000 0.000 26.646) 26.646 11.811 ( 0.000 0.000 29.062) 29.062 12.076 ( 0.000 0.000 -21.332) 21.332 12.509 ( 0.000 0.000 -25.647) 25.647 12.774 ( 0.000 0.000 -20.199) 20.199 13.150 ( 0.000 0.000 5.566) 5.566 13.350 ( 0.000 0.000 4.604) 4.604 13.517 ( 0.000 0.000 0.916) 0.916 13.746 ( 0.000 0.000 -18.662) 18.662 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -17.211 0.000 17.875) 24.814 1.776 ( 3.354 0.000 12.205) 12.658 2.009 ( 6.944 0.000 23.221) 24.237 2.064 ( 3.941 0.000 4.565) 6.031 2.230 ( -6.406 0.000 -11.110) 12.824 2.302 ( 11.155 0.000 8.976) 14.318 2.320 ( 4.759 0.000 4.223) 6.363 2.573 ( -4.637 0.000 -2.647) 5.339 2.662 ( 7.013 0.000 10.439) 12.576 2.740 ( 3.906 0.000 3.600) 5.312 2.869 ( 2.710 0.000 -6.241) 6.804 2.922 ( 13.907 0.000 -6.642) 15.412 3.095 ( 8.577 0.000 3.969) 9.451 3.330 ( -3.134 0.000 -5.468) 6.302 3.376 ( -3.954 0.000 -10.294) 11.028 3.380 ( 7.958 0.000 -3.403) 8.655 3.538 ( -0.857 0.000 1.617) 1.830 3.596 ( 0.913 0.000 0.895) 1.279 3.681 ( 3.880 0.000 8.108) 8.989 3.794 ( -1.115 0.000 -2.201) 2.467 3.900 ( 9.576 0.000 -6.221) 11.419 4.050 ( -5.298 0.000 16.511) 17.340 4.312 ( 7.893 0.000 12.860) 15.089 4.351 ( -6.331 0.000 -3.610) 7.288 4.456 ( 5.910 0.000 -10.718) 12.240 4.656 ( 7.745 0.000 -5.167) 9.310 4.824 ( 1.761 0.000 7.216) 7.428 4.910 ( 4.788 0.000 3.153) 5.733 4.957 ( 1.248 0.000 12.468) 12.530 5.321 ( -12.730 0.000 14.682) 19.432 5.661 ( 0.169 0.000 20.867) 20.868 5.738 ( -2.610 0.000 -21.711) 21.867 5.807 ( -13.847 0.000 -10.294) 17.254 6.479 ( -5.633 0.000 5.630) 7.964 6.643 ( -0.414 0.000 4.573) 4.592 6.649 ( -0.595 0.000 -21.287) 21.295 6.786 ( 12.209 0.000 7.806) 14.491 6.817 ( -6.670 0.000 -6.085) 9.029 6.913 ( 14.234 0.000 0.746) 14.253 6.937 ( 5.345 0.000 12.905) 13.968 6.999 ( -5.493 0.000 -7.946) 9.660 7.153 ( 2.095 0.000 11.920) 12.103 7.386 ( 1.065 0.000 -9.639) 9.698 7.539 ( -0.768 0.000 -7.487) 7.526 8.378 ( -4.381 0.000 15.757) 16.355 9.101 ( -11.042 0.000 -21.143) 23.852 9.234 ( 13.350 0.000 17.602) 22.092 9.976 ( -1.036 0.000 -20.342) 20.369 10.544 ( 1.109 0.000 4.711) 4.839 10.685 ( 0.436 0.000 -2.353) 2.393 10.901 ( -18.220 0.000 24.999) 30.934 11.167 ( -19.953 0.000 24.962) 31.957 11.897 ( -17.634 0.000 -24.970) 30.569 12.070 ( 15.670 0.000 21.353) 26.485 12.238 ( -19.025 0.000 -22.653) 29.583 12.919 ( 7.999 0.000 -17.014) 18.800 13.197 ( 1.783 0.000 4.692) 5.020 13.539 ( 16.116 0.000 7.107) 17.613 13.635 ( 1.301 0.000 -10.474) 10.555 13.721 ( 9.506 0.000 -4.529) 10.529 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -12.171 0.000 13.853) 18.441 1.816 ( 1.314 0.000 8.625) 8.725 1.878 ( -19.805 0.000 -19.376) 27.707 2.184 ( 2.162 0.000 -4.307) 4.820 2.189 ( 11.627 0.000 18.227) 21.619 2.459 ( 0.862 0.000 -0.792) 1.171 2.504 ( 3.209 0.000 -1.524) 3.552 2.538 ( 12.360 0.000 4.865) 13.283 2.835 ( 4.850 0.000 9.636) 10.788 2.838 ( 10.005 0.000 11.642) 15.351 3.047 ( 13.650 0.000 0.801) 13.673 3.210 ( 3.798 0.000 -8.930) 9.704 3.254 ( 4.755 0.000 -5.786) 7.489 3.287 ( 7.637 0.000 5.919) 9.662 3.312 ( -0.817 0.000 -7.447) 7.492 3.386 ( -2.698 0.000 0.209) 2.706 3.562 ( 2.889 0.000 -1.096) 3.090 3.644 ( 3.709 0.000 -2.541) 4.496 3.725 ( 0.034 0.000 -1.075) 1.076 3.871 ( 12.285 0.000 18.691) 22.367 3.981 ( -1.437 0.000 16.893) 16.954 4.160 ( 15.108 0.000 -11.311) 18.873 4.239 ( -4.784 0.000 -0.757) 4.843 4.492 ( 10.994 0.000 10.738) 15.368 4.570 ( 4.166 0.000 -3.463) 5.418 4.792 ( 6.633 0.000 -4.098) 7.797 4.805 ( -3.299 0.000 6.871) 7.622 4.972 ( -2.028 0.000 6.493) 6.802 4.986 ( 1.663 0.000 10.325) 10.458 5.116 ( -4.040 0.000 6.770) 7.884 5.519 ( -14.513 0.000 -12.473) 19.137 5.652 ( -7.004 0.000 -18.782) 20.046 5.718 ( 3.990 0.000 15.005) 15.526 6.389 ( -3.423 0.000 3.395) 4.821 6.515 ( -11.240 0.000 -22.936) 25.542 6.587 ( -4.860 0.000 -2.507) 5.469 6.671 ( -8.577 0.000 -3.219) 9.161 6.837 ( -10.938 0.000 -8.016) 13.560 7.027 ( 9.359 0.000 11.198) 14.594 7.125 ( 14.819 0.000 11.254) 18.608 7.206 ( 14.698 0.000 6.125) 15.923 7.214 ( 4.224 0.000 9.650) 10.534 7.399 ( 0.210 0.000 -6.372) 6.376 7.516 ( -1.779 0.000 -5.748) 6.017 8.322 ( -0.425 0.000 10.741) 10.749 8.847 ( -14.448 0.000 -16.835) 22.185 9.563 ( 20.108 0.000 12.187) 23.513 9.957 ( -0.570 0.000 -11.195) 11.210 10.569 ( 1.063 0.000 4.788) 4.905 10.597 ( -11.844 0.000 16.720) 20.490 10.693 ( 0.222 0.000 -1.873) 1.886 10.826 ( -14.649 0.000 16.310) 21.923 11.493 ( -23.754 0.000 -26.729) 35.759 11.767 ( -25.283 0.000 -27.943) 37.683 12.414 ( 15.481 0.000 19.771) 25.111 13.006 ( 1.182 0.000 -11.030) 11.093 13.164 ( -3.821 0.000 0.905) 3.927 13.470 ( -11.394 0.000 -14.725) 18.619 13.915 ( 20.575 0.000 12.992) 24.333 14.064 ( 18.074 0.000 5.138) 18.790 ======================= Grid point 138 (49/75) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 2.489 0.000 2.015) 3.203 1.500 ( -19.470 0.000 -18.516) 26.869 1.859 ( 3.997 0.000 0.241) 4.004 2.132 ( -7.351 0.000 -11.325) 13.502 2.424 ( 12.877 0.000 12.691) 18.080 2.486 ( 4.778 0.000 2.241) 5.277 2.592 ( 2.518 0.000 -3.172) 4.050 2.731 ( 6.882 0.000 2.908) 7.472 2.854 ( -2.416 0.000 6.350) 6.794 2.981 ( 5.130 0.000 7.997) 9.501 3.083 ( -7.975 0.000 -5.248) 9.547 3.182 ( -5.565 0.000 -3.606) 6.632 3.342 ( 5.364 0.000 -1.368) 5.535 3.347 ( 10.546 0.000 9.620) 14.274 3.449 ( 3.425 0.000 5.316) 6.324 3.454 ( 4.521 0.000 -2.760) 5.297 3.603 ( 1.171 0.000 -4.246) 4.404 3.711 ( 1.137 0.000 -3.181) 3.378 3.826 ( 11.707 0.000 12.121) 16.852 4.019 ( 5.077 0.000 13.964) 14.859 4.139 ( 13.357 0.000 19.771) 23.860 4.169 ( -2.837 0.000 3.536) 4.533 4.365 ( 0.367 0.000 1.874) 1.909 4.542 ( 1.667 0.000 1.726) 2.399 4.746 ( 16.030 0.000 4.126) 16.553 4.851 ( -1.776 0.000 -0.375) 1.815 4.880 ( 4.743 0.000 -1.762) 5.059 4.902 ( 4.899 0.000 -1.779) 5.212 5.012 ( 1.145 0.000 7.652) 7.737 5.086 ( -4.041 0.000 -2.168) 4.586 5.271 ( -11.210 0.000 -10.923) 15.652 5.458 ( -13.926 0.000 -12.090) 18.442 5.817 ( 6.819 0.000 7.262) 9.961 6.259 ( -15.074 0.000 -14.894) 21.191 6.359 ( 0.226 0.000 0.034) 0.229 6.498 ( -4.167 0.000 -6.023) 7.324 6.510 ( -7.189 0.000 -5.174) 8.857 6.628 ( -10.126 0.000 -10.173) 14.354 7.186 ( 7.570 0.000 6.945) 10.274 7.303 ( 4.997 0.000 5.326) 7.304 7.333 ( 2.587 0.000 3.882) 4.665 7.409 ( 7.665 0.000 6.948) 10.345 7.447 ( 6.627 0.000 6.287) 9.135 7.469 ( -3.244 0.000 -3.026) 4.436 8.361 ( 3.885 0.000 5.246) 6.528 8.605 ( -10.603 0.000 -9.578) 14.288 9.910 ( 13.481 0.000 13.807) 19.297 9.966 ( 1.791 0.000 1.622) 2.417 10.499 ( 2.038 0.000 1.436) 2.493 10.560 ( 0.361 0.000 1.183) 1.237 10.688 ( -1.180 0.000 0.314) 1.222 10.698 ( 1.509 0.000 -0.813) 1.714 11.045 ( -22.903 0.000 -23.572) 32.867 11.288 ( -25.031 0.000 -25.321) 35.604 12.668 ( 11.613 0.000 11.735) 16.510 12.973 ( -4.341 0.000 -4.160) 6.013 13.103 ( -1.665 0.000 -1.922) 2.543 13.261 ( -9.894 0.000 -9.964) 14.042 14.243 ( 13.281 0.000 13.604) 19.012 14.326 ( 9.106 0.000 9.365) 13.062 ======================= Grid point 139 (50/75) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -14.453 0.000 -11.055) 18.196 1.173 ( 14.453 0.000 -11.055) 18.196 1.975 ( -8.050 0.000 -8.049) 11.383 1.975 ( 8.050 0.000 -8.049) 11.383 2.579 ( -3.690 0.000 -0.548) 3.730 2.579 ( 3.690 0.000 -0.548) 3.730 2.654 ( -10.848 0.000 9.128) 14.178 2.654 ( 10.848 0.000 9.128) 14.178 2.933 ( -7.865 0.000 -3.356) 8.552 2.933 ( 7.865 0.000 -3.356) 8.552 3.068 ( -5.140 0.000 0.927) 5.223 3.068 ( 5.140 0.000 0.927) 5.223 3.444 ( -4.096 0.000 1.859) 4.498 3.444 ( 4.096 0.000 1.859) 4.498 3.471 ( -1.826 0.000 7.653) 7.868 3.471 ( 1.826 0.000 7.653) 7.868 3.667 ( -4.906 0.000 -1.785) 5.220 3.667 ( 4.906 0.000 -1.785) 5.220 4.082 ( -13.622 0.000 16.829) 21.651 4.082 ( 13.622 0.000 16.829) 21.651 4.113 ( -3.842 0.000 8.753) 9.559 4.113 ( 3.842 0.000 8.753) 9.559 4.492 ( -11.569 0.000 10.539) 15.650 4.492 ( 11.569 0.000 10.539) 15.650 4.901 ( -10.026 0.000 -11.905) 15.565 4.901 ( 10.026 0.000 -11.905) 15.565 4.956 ( -1.345 0.000 0.658) 1.497 4.956 ( 1.345 0.000 0.658) 1.497 5.089 ( -9.351 0.000 -5.754) 10.980 5.089 ( 9.351 0.000 -5.754) 10.980 5.145 ( -17.194 0.000 -1.807) 17.289 5.145 ( 17.194 0.000 -1.807) 17.289 5.993 ( -12.153 0.000 -3.361) 12.609 5.993 ( 12.153 0.000 -3.361) 12.609 6.396 ( -3.794 0.000 -3.343) 5.057 6.396 ( 3.794 0.000 -3.343) 5.057 6.494 ( -3.424 0.000 -10.444) 10.991 6.494 ( 3.424 0.000 -10.444) 10.991 7.299 ( -4.229 0.000 1.924) 4.646 7.299 ( 4.229 0.000 1.924) 4.646 7.395 ( -4.542 0.000 0.759) 4.605 7.395 ( 4.542 0.000 0.759) 4.605 7.508 ( -1.194 0.000 9.907) 9.979 7.508 ( 1.194 0.000 9.907) 9.979 8.452 ( -5.987 0.000 -0.843) 6.046 8.452 ( 5.987 0.000 -0.843) 6.046 10.004 ( -1.491 0.000 13.877) 13.957 10.004 ( 1.491 0.000 13.877) 13.957 10.646 ( -4.133 0.000 -1.185) 4.300 10.646 ( 4.133 0.000 -1.185) 4.300 10.672 ( -15.622 0.000 -14.066) 21.022 10.672 ( 15.622 0.000 -14.066) 21.022 10.862 ( -18.046 0.000 -17.243) 24.960 10.862 ( 18.046 0.000 -17.243) 24.960 12.853 ( -8.148 0.000 3.463) 8.853 12.853 ( 8.148 0.000 3.463) 8.853 13.125 ( -4.249 0.000 -5.485) 6.939 13.125 ( 4.249 0.000 -5.485) 6.939 14.392 ( -2.261 0.000 12.335) 12.540 14.392 ( 2.261 0.000 12.335) 12.540 ======================= Grid point 144 (51/75) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 -5.359 13.678) 14.691 1.736 ( 0.000 8.410 10.522) 13.470 1.828 ( 0.000 -1.532 12.723) 12.815 2.102 ( 0.000 -4.963 9.637) 10.839 2.234 ( 0.000 0.804 10.752) 10.782 2.268 ( 0.000 9.987 2.234) 10.234 2.358 ( 0.000 1.147 -4.053) 4.212 2.499 ( 0.000 -6.288 -1.399) 6.442 2.541 ( 0.000 -4.208 8.220) 9.234 2.735 ( 0.000 -3.857 -8.394) 9.238 2.789 ( 0.000 3.795 2.255) 4.414 2.958 ( 0.000 4.165 -6.314) 7.564 3.019 ( 0.000 -1.421 -0.737) 1.601 3.144 ( 0.000 -5.994 -2.192) 6.383 3.272 ( 0.000 -5.835 -8.075) 9.962 3.277 ( 0.000 -7.506 -9.530) 12.131 3.517 ( 0.000 -5.549 5.146) 7.568 3.617 ( 0.000 -0.038 1.946) 1.946 3.680 ( 0.000 -4.046 -5.686) 6.979 3.740 ( 0.000 1.587 14.373) 14.460 3.765 ( 0.000 -0.674 2.204) 2.305 4.207 ( 0.000 1.071 14.663) 14.702 4.258 ( 0.000 6.182 5.015) 7.960 4.387 ( 0.000 4.324 0.657) 4.373 4.525 ( 0.000 0.523 -7.316) 7.335 4.664 ( 0.000 12.460 -0.714) 12.481 4.975 ( 0.000 11.661 4.802) 12.611 4.991 ( 0.000 4.293 13.407) 14.077 5.078 ( 0.000 19.818 -1.291) 19.860 5.361 ( 0.000 -3.772 13.789) 14.295 5.551 ( 0.000 -8.150 13.532) 15.797 5.855 ( 0.000 -10.020 -8.956) 13.440 5.917 ( 0.000 8.747 -13.197) 15.832 6.434 ( 0.000 -11.237 5.175) 12.371 6.581 ( 0.000 -7.066 2.679) 7.557 6.640 ( 0.000 5.834 5.530) 8.039 6.679 ( 0.000 3.944 8.447) 9.322 6.715 ( 0.000 -6.456 -24.964) 25.785 6.874 ( 0.000 -1.216 13.468) 13.522 6.958 ( 0.000 5.600 -5.684) 7.980 7.094 ( 0.000 4.189 -8.776) 9.724 7.142 ( 0.000 -0.503 9.440) 9.454 7.352 ( 0.000 -1.990 -10.289) 10.479 7.519 ( 0.000 -4.019 -7.803) 8.777 8.538 ( 0.000 9.775 15.860) 18.630 9.077 ( 0.000 -2.681 19.871) 20.051 9.261 ( 0.000 5.744 -20.106) 20.910 9.928 ( 0.000 -5.839 -22.582) 23.324 10.808 ( 0.000 23.489 4.851) 23.985 10.949 ( 0.000 23.517 -2.734) 23.675 11.152 ( 0.000 2.977 25.818) 25.989 11.419 ( 0.000 -2.632 26.483) 26.613 11.792 ( 0.000 -1.935 28.303) 28.369 12.112 ( 0.000 3.276 -21.492) 21.741 12.474 ( 0.000 -3.245 -25.403) 25.609 12.665 ( 0.000 -10.766 -14.971) 18.441 13.127 ( 0.000 -1.052 0.503) 1.166 13.296 ( 0.000 -4.791 3.239) 5.784 13.340 ( 0.000 -14.624 2.649) 14.862 13.593 ( 0.000 -13.408 -18.722) 23.028 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.12 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -11.815 6.630 12.418) 18.378 1.724 ( 4.331 -0.327 11.325) 12.130 1.936 ( 6.293 -3.443 4.046) 8.236 2.145 ( -2.563 -5.362 -5.323) 7.978 2.215 ( 1.508 3.672 16.980) 17.438 2.310 ( 3.890 6.110 -0.187) 7.246 2.418 ( 4.929 1.891 -0.035) 5.279 2.519 ( 2.703 -1.677 0.275) 3.193 2.608 ( 7.000 -3.618 7.551) 10.914 2.766 ( 2.331 -1.154 1.275) 2.896 2.843 ( 5.988 -0.737 -5.391) 8.091 2.949 ( 7.789 1.944 -2.121) 8.303 3.096 ( 8.074 0.000 3.678) 8.872 3.171 ( -0.623 -8.549 -2.640) 8.969 3.269 ( -0.389 -7.326 -6.663) 9.911 3.380 ( 6.124 -4.356 -3.262) 8.192 3.526 ( 1.755 -3.775 2.206) 4.712 3.628 ( 1.495 2.000 -0.614) 2.572 3.689 ( 1.917 1.669 4.960) 5.574 3.771 ( 1.919 -3.826 -1.210) 4.448 3.852 ( 9.739 -0.896 3.089) 10.257 4.122 ( -6.134 5.685 14.512) 16.749 4.311 ( 4.186 -0.565 2.779) 5.056 4.439 ( 3.751 1.228 0.020) 3.947 4.481 ( -7.569 11.982 -6.917) 15.770 4.606 ( 0.097 0.687 -1.174) 1.363 4.859 ( -4.727 3.215 12.429) 13.681 5.012 ( -1.359 1.485 13.768) 13.914 5.239 ( 0.885 10.988 4.289) 11.829 5.315 ( 1.329 10.871 2.993) 11.353 5.543 ( 4.868 -3.138 12.089) 13.405 5.683 ( -14.058 -10.037 -10.225) 20.073 5.899 ( -2.808 9.187 -12.648) 15.883 6.542 ( -1.543 2.900 5.828) 6.690 6.592 ( 1.321 -3.336 -13.903) 14.358 6.669 ( 7.925 -8.932 2.281) 12.157 6.711 ( 0.744 4.738 5.116) 7.013 6.802 ( 11.231 -7.356 -2.036) 13.579 6.889 ( -1.856 2.012 -0.504) 2.784 6.922 ( 2.133 0.699 7.760) 8.078 7.058 ( -4.662 4.907 -7.554) 10.143 7.150 ( 1.252 -1.447 10.406) 10.581 7.354 ( 0.068 -3.008 -9.307) 9.781 7.503 ( -1.737 -4.652 -7.029) 8.607 8.501 ( -2.960 11.319 14.144) 18.356 9.149 ( -6.810 4.076 -14.698) 16.704 9.203 ( 8.441 -1.717 12.585) 15.251 9.906 ( -2.073 -6.763 -19.520) 20.762 10.767 ( -5.902 13.781 9.912) 17.972 10.943 ( -0.822 22.497 -1.408) 22.556 11.000 ( -10.780 12.761 18.131) 24.653 11.143 ( -18.422 -0.603 23.364) 29.759 11.933 ( -15.574 3.281 -22.521) 27.577 12.065 ( 11.902 -1.042 14.124) 18.499 12.194 ( -15.458 -3.893 -17.174) 23.432 12.839 ( 9.163 -9.829 -12.064) 18.059 13.153 ( 0.389 -1.711 -0.325) 1.785 13.426 ( 14.089 -11.505 8.989) 20.290 13.513 ( -1.254 -9.366 -15.297) 17.980 13.572 ( 13.997 -11.834 -0.724) 18.344 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.25 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -9.743 13.971 8.414) 18.998 1.825 ( -3.062 -0.685 -9.992) 10.473 1.862 ( -5.956 0.164 -0.719) 6.001 2.137 ( 3.913 -1.444 -2.714) 4.976 2.265 ( 4.308 0.845 14.693) 15.335 2.408 ( 2.986 -2.478 0.816) 3.966 2.450 ( 1.193 0.217 -1.651) 2.048 2.624 ( 6.407 2.186 0.003) 6.769 2.775 ( 9.290 -1.790 8.693) 12.848 2.872 ( 7.493 -1.987 8.892) 11.796 3.013 ( 10.379 -1.878 -1.227) 10.619 3.142 ( 0.987 -1.481 2.001) 2.678 3.219 ( 13.057 -2.237 -4.450) 13.975 3.256 ( 5.017 -2.096 4.847) 7.284 3.287 ( 7.418 -4.137 0.065) 8.494 3.431 ( 1.465 -2.056 -0.447) 2.563 3.577 ( 2.291 1.279 1.540) 3.043 3.672 ( 2.471 0.786 -5.235) 5.842 3.719 ( 2.145 0.264 -2.683) 3.445 3.876 ( 8.039 1.208 15.278) 17.306 3.986 ( -1.688 1.111 9.028) 9.252 4.116 ( 12.181 -3.185 -4.345) 13.319 4.252 ( -11.111 6.134 -3.729) 13.228 4.436 ( 8.530 -3.831 -0.542) 9.367 4.564 ( 6.932 -1.900 1.632) 7.370 4.662 ( 1.779 1.111 2.935) 3.608 4.757 ( -5.286 -5.272 10.993) 13.288 4.913 ( -5.231 -3.266 11.019) 12.627 5.143 ( -4.011 2.391 10.276) 11.287 5.334 ( -11.717 -5.208 -12.850) 18.153 5.503 ( 0.574 16.465 -4.402) 17.053 5.696 ( 5.753 8.587 -2.069) 10.541 5.825 ( -2.252 8.555 0.001) 8.847 6.466 ( -5.363 4.135 -4.276) 8.009 6.499 ( -6.345 1.826 -13.205) 14.764 6.669 ( -3.779 6.925 -1.317) 7.998 6.744 ( -7.365 6.221 -3.205) 10.159 6.906 ( -9.265 5.724 -7.002) 12.947 6.964 ( 14.086 -8.386 11.057) 19.774 7.023 ( 8.438 -6.286 10.569) 14.914 7.108 ( 13.665 -8.667 5.228) 17.005 7.193 ( 3.248 -3.301 8.200) 9.418 7.349 ( -0.674 -4.773 -6.631) 8.198 7.454 ( -3.333 -6.555 -5.175) 8.992 8.471 ( 0.569 14.136 9.201) 16.876 8.925 ( -12.940 8.509 -15.134) 21.654 9.486 ( 17.827 -7.453 11.841) 22.662 9.866 ( -1.746 -8.722 -10.793) 13.986 10.590 ( -9.228 1.812 13.538) 16.483 10.765 ( -13.963 0.588 15.560) 20.915 10.929 ( -0.935 21.266 -2.026) 21.383 10.957 ( -1.942 23.962 5.012) 24.557 11.553 ( -22.177 6.270 -25.286) 34.212 11.718 ( -24.935 -4.313 -27.194) 37.146 12.436 ( 16.570 0.719 19.520) 25.615 12.936 ( 1.298 -13.729 -5.714) 14.927 13.129 ( -2.062 3.823 -3.183) 5.385 13.349 ( -10.228 -9.643 -13.291) 19.345 13.783 ( 19.461 -12.122 11.985) 25.872 13.919 ( 17.163 -12.044 5.051) 21.567 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.38 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.617 14.904 -0.236) 14.918 1.536 ( -16.079 4.172 -15.879) 22.980 1.935 ( 4.349 6.160 -0.717) 7.575 2.136 ( -4.159 0.563 -9.661) 10.534 2.411 ( 9.107 -5.855 12.167) 16.287 2.438 ( 4.011 -4.015 1.710) 5.928 2.505 ( 1.979 -5.374 -0.567) 5.755 2.687 ( -0.498 -5.485 -0.551) 5.535 2.917 ( 5.183 1.908 3.778) 6.691 2.940 ( 0.129 1.317 4.375) 4.570 3.099 ( 0.913 4.749 5.240) 7.130 3.233 ( 6.241 -2.303 -0.252) 6.657 3.319 ( -3.040 3.551 4.197) 6.282 3.357 ( 6.128 -0.220 6.343) 8.822 3.465 ( 9.176 0.477 6.964) 11.529 3.555 ( 9.632 1.474 -0.270) 9.748 3.595 ( 0.975 -0.492 -4.210) 4.349 3.711 ( 0.172 2.150 -2.710) 3.463 3.797 ( 6.236 -2.368 2.946) 7.292 3.903 ( -1.069 -4.217 11.669) 12.453 4.045 ( -1.886 -1.587 4.538) 5.164 4.133 ( 2.556 -4.791 13.884) 14.908 4.372 ( 12.452 -4.064 -8.110) 15.405 4.488 ( -6.183 -1.282 12.184) 13.723 4.623 ( 9.493 -7.545 -1.347) 12.201 4.773 ( 9.934 -3.557 0.918) 10.592 4.817 ( 4.159 -3.861 -2.321) 6.131 4.859 ( 0.995 0.567 7.308) 7.397 5.052 ( -11.094 -7.967 -5.667) 14.788 5.130 ( 0.171 -0.792 -5.289) 5.351 5.437 ( -10.478 12.354 -8.568) 18.326 5.584 ( -11.691 10.951 -8.417) 18.096 5.952 ( 9.695 14.213 9.759) 19.779 6.298 ( -9.808 5.800 -9.860) 15.068 6.459 ( 0.372 8.591 0.003) 8.599 6.597 ( -4.489 7.936 -6.768) 11.355 6.607 ( -5.024 8.928 -2.716) 10.599 6.723 ( -8.855 8.227 -8.920) 15.023 7.130 ( 6.742 -5.274 6.182) 10.559 7.224 ( 7.207 -9.521 8.974) 14.938 7.252 ( 3.373 -7.021 4.719) 9.107 7.316 ( 6.139 -8.484 5.355) 11.762 7.350 ( 2.703 -7.818 0.589) 8.294 7.384 ( -3.808 -8.624 -2.879) 9.857 8.517 ( 3.610 15.274 4.622) 16.362 8.714 ( -8.851 11.468 -7.976) 16.537 9.792 ( 11.899 -11.209 12.276) 20.443 9.856 ( 0.944 -10.376 1.077) 10.474 10.512 ( 1.876 1.172 1.259) 2.545 10.605 ( -0.343 -0.033 -0.676) 0.759 10.870 ( -6.754 11.200 -6.725) 14.707 10.963 ( 1.779 26.903 1.566) 27.007 11.156 ( -18.673 11.799 -18.906) 29.075 11.256 ( -22.505 -0.079 -22.833) 32.060 12.704 ( 11.774 -0.501 11.757) 16.646 12.924 ( -1.529 -16.596 -1.993) 16.785 13.080 ( -3.027 8.885 -2.632) 9.749 13.166 ( -8.444 -4.103 -8.258) 12.503 14.093 ( 12.467 -13.801 12.717) 22.530 14.168 ( 8.655 -13.837 8.828) 18.555 ======================= Grid point 148 (55/75) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -10.750 10.294 -9.684) 17.757 1.276 ( 10.750 10.294 -9.684) 17.757 2.031 ( -5.893 4.851 -6.825) 10.239 2.031 ( 5.893 4.851 -6.825) 10.239 2.495 ( -2.573 -7.450 2.535) 8.280 2.495 ( 2.573 -7.450 2.535) 8.280 2.601 ( -7.974 -8.626 3.279) 12.196 2.601 ( 7.974 -8.626 3.279) 12.196 2.949 ( -0.872 5.595 1.613) 5.888 2.949 ( 0.872 5.595 1.613) 5.888 3.171 ( -6.939 6.536 0.608) 9.552 3.171 ( 6.939 6.536 0.608) 9.552 3.372 ( -3.992 -1.133 8.086) 9.088 3.372 ( 3.992 -1.133 8.086) 9.088 3.591 ( -2.464 2.775 1.691) 4.078 3.591 ( 2.464 2.775 1.691) 4.078 3.682 ( -2.886 0.894 1.534) 3.388 3.682 ( 2.886 0.894 1.534) 3.388 3.883 ( -3.203 -5.798 6.121) 9.019 3.883 ( 3.203 -5.798 6.121) 9.019 4.069 ( -7.413 -7.916 11.718) 15.966 4.069 ( 7.413 -7.916 11.718) 15.966 4.500 ( -3.526 0.248 7.962) 8.711 4.500 ( 3.526 0.248 7.962) 8.711 4.791 ( -4.019 -6.328 0.893) 7.550 4.791 ( 4.019 -6.328 0.893) 7.550 4.829 ( -5.708 -10.409 -9.595) 15.265 4.829 ( 5.708 -10.409 -9.595) 15.265 5.133 ( -18.434 4.721 -6.571) 20.131 5.133 ( 18.434 4.721 -6.571) 20.131 5.323 ( -14.592 7.226 -6.100) 17.388 5.323 ( 14.592 7.226 -6.100) 17.388 6.125 ( -8.843 13.908 2.401) 16.655 6.125 ( 8.843 13.908 2.401) 16.655 6.498 ( -3.811 8.858 -2.667) 10.005 6.498 ( 3.811 8.858 -2.667) 10.005 6.605 ( -3.267 9.512 -9.087) 13.554 6.605 ( 3.267 9.512 -9.087) 13.554 7.236 ( -4.082 -6.068 2.115) 7.613 7.236 ( 4.082 -6.068 2.115) 7.613 7.307 ( -3.630 -8.389 0.829) 9.178 7.307 ( 3.630 -8.389 0.829) 9.178 7.394 ( -1.223 -10.640 7.678) 13.178 7.394 ( 1.223 -10.640 7.678) 13.178 8.592 ( -4.642 14.180 -0.210) 14.922 8.592 ( 4.642 14.180 -0.210) 14.922 9.883 ( -0.795 -11.553 11.747) 16.496 9.883 ( 0.795 -11.553 11.747) 16.496 10.659 ( -12.456 1.260 -10.763) 16.510 10.659 ( 12.456 1.260 -10.763) 16.510 10.795 ( -18.341 -0.235 -17.200) 25.145 10.795 ( 18.341 -0.235 -17.200) 25.145 11.018 ( -4.731 24.340 -3.149) 24.994 11.018 ( 4.731 24.340 -3.149) 24.994 12.870 ( -5.484 -9.647 3.133) 11.531 12.870 ( 5.484 -9.647 3.133) 11.531 13.058 ( -2.273 4.847 -3.387) 6.335 13.058 ( 2.273 4.847 -3.387) 6.335 14.231 ( -2.053 -14.450 11.536) 18.604 14.231 ( 2.053 -14.450 11.536) 18.604 ======================= Grid point 153 (56/75) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.000 7.119 2.730) 7.625 1.803 ( 0.000 -7.457 -4.523) 8.722 1.866 ( 0.000 5.312 2.882) 6.044 2.006 ( 0.000 -4.206 -1.725) 4.546 2.190 ( 0.000 3.167 9.029) 9.568 2.337 ( 0.000 -3.607 0.835) 3.702 2.386 ( 0.000 0.261 2.312) 2.327 2.435 ( 0.000 -4.967 7.039) 8.615 2.540 ( 0.000 8.173 2.340) 8.501 2.659 ( 0.000 -3.169 -6.784) 7.488 2.853 ( 0.000 3.480 1.623) 3.840 2.981 ( 0.000 -1.537 -1.038) 1.855 3.005 ( 0.000 -5.158 2.146) 5.587 3.022 ( 0.000 -3.817 -0.065) 3.817 3.118 ( 0.000 -2.220 -1.407) 2.628 3.163 ( 0.000 -3.847 0.431) 3.871 3.466 ( 0.000 2.621 -0.520) 2.672 3.568 ( 0.000 -5.854 -4.361) 7.300 3.638 ( 0.000 2.279 -2.299) 3.237 3.695 ( 0.000 -2.457 -4.077) 4.760 3.916 ( 0.000 9.510 18.336) 20.655 4.114 ( 0.000 -8.074 9.499) 12.467 4.378 ( 0.000 4.877 0.487) 4.901 4.466 ( 0.000 -3.088 -4.156) 5.178 4.620 ( 0.000 12.466 17.392) 21.399 4.849 ( 0.000 -4.871 16.538) 17.241 5.113 ( 0.000 6.820 12.535) 14.270 5.135 ( 0.000 10.357 -0.766) 10.385 5.360 ( 0.000 -4.293 9.442) 10.372 5.516 ( 0.000 4.387 -7.371) 8.578 5.567 ( 0.000 17.007 4.306) 17.543 5.617 ( 0.000 1.015 -4.032) 4.158 6.005 ( 0.000 -4.219 -6.013) 7.345 6.100 ( 0.000 -18.295 7.925) 19.938 6.442 ( 0.000 -0.854 -10.958) 10.991 6.554 ( 0.000 -8.020 -23.768) 25.085 6.765 ( 0.000 3.737 10.033) 10.706 6.812 ( 0.000 5.557 8.480) 10.139 6.845 ( 0.000 1.921 10.395) 10.571 7.012 ( 0.000 -5.578 7.756) 9.554 7.167 ( 0.000 7.505 -7.102) 10.332 7.196 ( 0.000 4.937 -8.883) 10.163 7.290 ( 0.000 -3.806 -9.445) 10.183 7.366 ( 0.000 -9.498 -7.669) 12.207 8.780 ( 0.000 11.388 16.551) 20.091 8.978 ( 0.000 -6.976 18.812) 20.064 9.467 ( 0.000 12.723 -18.603) 22.537 9.739 ( 0.000 -11.656 -20.054) 23.196 11.226 ( 0.000 4.428 26.351) 26.721 11.290 ( 0.000 5.552 21.451) 22.158 11.408 ( 0.000 13.597 16.552) 21.421 11.589 ( 0.000 33.372 -4.261) 33.643 11.704 ( 0.000 -7.736 23.888) 25.109 12.179 ( 0.000 -5.251 -17.058) 17.848 12.315 ( 0.000 -14.820 -14.503) 20.736 12.376 ( 0.000 -5.815 -24.952) 25.620 13.067 ( 0.000 -5.395 0.768) 5.449 13.149 ( 0.000 2.754 -5.845) 6.461 13.151 ( 0.000 -9.077 -0.982) 9.130 13.284 ( 0.000 -11.525 -14.133) 18.236 ======================= Grid point 154 (57/75) ======================= q-point: ( 0.12 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 1.226 7.515 1.421) 7.745 1.804 ( 0.019 -8.384 -4.027) 9.301 1.848 ( -0.547 9.741 -0.181) 9.758 2.045 ( 2.394 -6.746 -4.950) 8.703 2.236 ( 2.881 3.517 8.839) 9.940 2.372 ( 1.304 -4.277 3.637) 5.764 2.454 ( 4.404 3.074 1.967) 5.720 2.520 ( 8.110 -2.208 5.214) 9.891 2.589 ( 6.432 5.296 2.989) 8.852 2.689 ( 2.942 -4.049 -3.541) 6.131 2.851 ( 2.686 1.826 -0.935) 3.380 2.978 ( 3.057 -3.346 -2.370) 5.115 3.024 ( 2.194 -5.913 2.097) 6.646 3.050 ( 4.020 -3.991 1.763) 5.933 3.139 ( 4.374 2.336 4.707) 6.837 3.244 ( 4.482 -6.754 3.950) 9.017 3.510 ( 3.895 3.813 -0.521) 5.475 3.634 ( 3.707 -6.158 -3.298) 7.908 3.684 ( 5.008 1.891 -4.047) 6.711 3.726 ( 4.784 -0.587 -7.135) 8.611 3.940 ( 2.830 8.288 17.039) 19.158 4.118 ( 0.182 -6.687 10.646) 12.574 4.392 ( 0.858 6.862 1.443) 7.064 4.500 ( 3.192 -2.444 -4.232) 5.837 4.561 ( -4.305 7.903 10.918) 14.149 4.782 ( -7.446 -6.374 15.543) 18.376 4.924 ( -15.483 14.104 -3.844) 21.294 5.040 ( -6.708 5.927 10.063) 13.468 5.194 ( -10.102 -6.418 11.243) 16.421 5.358 ( -16.405 -15.616 -9.944) 24.736 5.741 ( 16.216 18.061 7.581) 25.429 5.782 ( 11.274 17.071 -5.209) 21.111 6.059 ( 0.838 3.884 -9.891) 10.660 6.283 ( 15.956 -18.951 11.122) 27.156 6.509 ( 1.792 -3.087 -16.736) 17.112 6.592 ( 9.123 -9.779 -9.474) 16.390 6.724 ( -2.564 7.061 7.674) 10.739 6.831 ( 0.963 0.331 8.413) 8.474 6.863 ( 1.231 3.679 8.975) 9.777 7.012 ( -0.401 -2.480 4.867) 5.477 7.102 ( -4.471 3.761 -3.506) 6.814 7.185 ( -2.952 6.784 -7.419) 10.478 7.256 ( -3.109 -6.488 -8.357) 11.027 7.347 ( -2.381 -8.602 -6.813) 11.229 8.790 ( 1.578 14.105 14.006) 19.940 9.047 ( 7.188 -9.492 15.520) 19.561 9.390 ( -7.531 13.979 -16.652) 23.009 9.692 ( -4.579 -13.075 -17.578) 22.381 10.931 ( -18.215 5.220 22.079) 29.095 11.035 ( -19.501 -4.471 23.780) 31.077 11.537 ( -4.729 29.346 -5.744) 30.274 11.564 ( 7.030 27.650 7.932) 29.612 11.960 ( 5.454 -9.149 4.630) 11.614 11.986 ( -10.438 -7.626 -12.953) 18.300 12.129 ( -8.192 4.638 -14.683) 17.442 12.470 ( 2.567 -22.275 -9.780) 24.462 13.151 ( 7.877 -2.927 1.004) 8.463 13.175 ( 4.756 -7.237 -0.801) 8.697 13.278 ( 4.806 -4.419 -8.208) 10.488 13.371 ( 13.025 -7.760 -3.510) 15.563 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.25 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -1.886 16.807 -0.700) 16.927 1.794 ( -2.440 -2.180 -7.615) 8.288 1.881 ( 4.521 2.815 -1.150) 5.449 2.064 ( 0.004 -8.286 -8.083) 11.575 2.260 ( 0.140 2.179 7.468) 7.781 2.363 ( -1.546 -5.641 5.347) 7.924 2.447 ( -3.660 2.200 -1.564) 4.548 2.572 ( -2.466 -7.053 -2.128) 7.769 2.801 ( 12.454 5.047 6.082) 14.751 2.849 ( 13.026 1.237 4.597) 13.869 2.986 ( 9.790 -0.441 0.410) 9.808 3.087 ( 6.940 -9.131 1.227) 11.535 3.167 ( 9.938 1.593 5.976) 11.706 3.191 ( 12.378 -1.723 4.831) 13.399 3.249 ( 7.196 1.575 9.279) 11.847 3.339 ( 6.750 -5.489 6.175) 10.669 3.579 ( 3.000 1.676 0.387) 3.459 3.649 ( -1.083 -3.077 -2.203) 3.936 3.784 ( 5.253 4.741 -7.445) 10.271 3.883 ( 9.113 -3.010 -4.662) 10.670 4.030 ( 4.363 4.359 8.917) 10.842 4.099 ( -0.945 0.166 13.147) 13.182 4.391 ( 0.953 2.392 2.241) 3.414 4.493 ( -6.154 7.703 -4.852) 10.989 4.577 ( -6.749 -8.989 9.517) 14.728 4.621 ( 2.464 -2.435 -1.530) 3.787 4.662 ( -5.670 11.466 -5.921) 14.095 4.944 ( -3.242 4.746 13.061) 14.270 5.030 ( -16.076 -17.557 -12.885) 27.069 5.078 ( -4.093 -6.237 12.875) 14.881 5.862 ( -5.182 11.031 -13.095) 17.889 5.936 ( -4.187 5.484 -13.214) 14.908 6.120 ( 13.622 21.146 11.880) 27.818 6.501 ( 4.159 0.198 -5.531) 6.924 6.619 ( 11.551 -6.376 5.746) 14.391 6.701 ( 2.409 3.454 6.694) 7.908 6.809 ( 6.112 -6.521 0.037) 8.937 6.852 ( 4.742 -2.611 3.694) 6.553 6.878 ( 0.116 1.026 5.789) 5.881 6.977 ( -2.354 5.588 -1.934) 6.364 7.044 ( -2.734 -4.066 1.630) 5.164 7.096 ( -4.318 4.225 -2.404) 6.502 7.191 ( -3.488 -10.016 -6.449) 12.413 7.273 ( -5.128 -9.018 -4.903) 11.475 8.854 ( 5.085 19.721 8.647) 22.126 9.196 ( -1.815 6.397 -5.659) 8.731 9.262 ( 4.731 -4.280 4.201) 7.638 9.595 ( -4.794 -16.247 -10.455) 19.906 10.644 ( -11.191 3.116 14.182) 18.332 10.715 ( -13.291 -3.344 14.985) 20.307 11.353 ( -14.517 14.942 -15.050) 25.700 11.573 ( -22.947 -6.996 -24.332) 34.170 11.651 ( 1.764 34.479 2.495) 34.614 11.863 ( -9.179 23.084 -12.664) 27.884 12.286 ( 9.843 -18.797 10.390) 23.626 12.470 ( -1.865 -27.667 -4.114) 28.034 13.202 ( 2.378 3.839 -0.238) 4.523 13.333 ( 6.229 9.444 -1.584) 11.423 13.460 ( 13.904 -14.634 7.944) 21.693 13.629 ( 12.406 -14.319 1.554) 19.009 ======================= Grid point 156 (59/75) ======================= q-point: ( 0.38 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -0.528 23.113 -3.094) 23.325 1.707 ( -5.755 11.889 -7.945) 15.414 1.983 ( 5.229 -7.544 -3.150) 9.704 2.066 ( 0.147 -13.057 -6.367) 14.528 2.261 ( 0.286 -0.865 5.827) 5.898 2.347 ( -1.052 -6.246 0.675) 6.370 2.365 ( -2.701 -0.023 0.315) 2.720 2.500 ( -4.644 -9.560 -3.330) 11.137 3.003 ( 8.950 7.586 6.200) 13.270 3.060 ( 8.585 5.077 3.682) 10.632 3.158 ( 5.989 -0.655 5.850) 8.398 3.203 ( 6.469 -3.539 3.351) 8.100 3.314 ( 3.994 1.402 10.337) 11.170 3.375 ( 7.531 -0.520 10.843) 13.211 3.457 ( 10.736 -0.572 13.039) 16.900 3.485 ( 6.295 -1.919 4.308) 7.866 3.592 ( -3.035 0.126 -0.584) 3.093 3.662 ( 6.463 -6.314 0.147) 9.037 3.854 ( -0.723 4.290 0.578) 4.389 3.962 ( -2.143 8.954 -0.052) 9.207 3.988 ( -0.954 -4.126 7.441) 8.562 4.219 ( 6.747 -8.732 -7.933) 13.590 4.261 ( -10.130 14.385 -6.892) 18.895 4.453 ( 0.476 -2.351 8.719) 9.043 4.513 ( 7.842 -2.325 0.795) 8.218 4.667 ( -5.413 -12.213 -11.442) 17.589 4.726 ( 2.703 0.651 1.699) 3.258 4.807 ( -5.167 -8.232 -0.667) 9.742 4.948 ( 7.466 5.832 4.654) 10.555 5.073 ( 6.601 -5.217 1.502) 8.547 5.627 ( -17.714 6.846 -14.164) 23.691 5.718 ( -17.115 -0.392 -14.154) 22.213 6.383 ( 11.991 23.620 11.899) 29.039 6.570 ( 2.196 17.585 1.917) 17.825 6.685 ( 1.713 11.802 0.948) 11.964 6.802 ( -2.258 8.847 -4.533) 10.194 6.823 ( -1.373 8.029 0.499) 8.161 6.886 ( 4.159 -9.818 6.484) 12.479 6.935 ( -1.650 -0.797 -0.598) 1.927 6.971 ( 3.919 -8.893 3.790) 10.431 7.021 ( 2.912 -11.551 4.606) 12.772 7.092 ( 2.059 -9.690 0.318) 9.912 7.130 ( -3.182 -12.495 -4.320) 13.598 7.180 ( -4.062 -9.483 -4.018) 11.071 8.956 ( 4.907 23.863 5.338) 24.940 9.082 ( -4.742 21.325 -4.403) 22.285 9.448 ( 8.164 -20.579 8.835) 23.837 9.536 ( -1.382 -19.325 -0.843) 19.393 10.544 ( 1.313 1.766 0.566) 2.272 10.582 ( 0.478 -1.635 -0.294) 1.729 11.022 ( -19.075 5.191 -18.978) 27.404 11.131 ( -22.950 -5.143 -22.871) 32.806 11.672 ( 0.731 36.358 0.518) 36.369 11.743 ( -4.092 32.569 -4.424) 33.121 12.388 ( 1.876 -27.869 1.977) 28.002 12.428 ( -2.071 -29.252 -2.051) 29.397 13.280 ( 5.353 16.447 5.488) 18.146 13.399 ( 0.890 17.557 1.129) 17.615 13.703 ( 10.533 -21.150 10.635) 25.911 13.803 ( 5.631 -19.306 5.743) 20.915 ======================= Grid point 157 (60/75) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -3.484 20.834 -5.691) 21.876 1.614 ( 3.484 20.834 -5.691) 21.876 2.053 ( -1.967 -13.362 -4.841) 14.347 2.053 ( 1.967 -13.362 -4.841) 14.347 2.284 ( -2.555 -1.090 2.669) 3.852 2.284 ( 2.555 -1.090 2.669) 3.852 2.411 ( -4.401 -7.935 -1.936) 9.278 2.411 ( 4.401 -7.935 -1.936) 9.278 3.119 ( -2.766 8.498 6.696) 11.167 3.119 ( 2.766 8.498 6.696) 11.167 3.246 ( -4.099 -1.562 4.971) 6.630 3.246 ( 4.099 -1.562 4.971) 6.630 3.404 ( -5.332 3.643 8.930) 11.020 3.404 ( 5.332 3.643 8.930) 11.020 3.508 ( -2.729 -6.342 4.118) 8.039 3.508 ( 2.729 -6.342 4.118) 8.039 3.697 ( -9.926 4.221 8.957) 14.020 3.697 ( 9.926 4.221 8.957) 14.020 3.856 ( -9.406 -9.606 8.048) 15.669 3.856 ( 9.406 -9.606 8.048) 15.669 4.066 ( -8.866 15.329 -9.693) 20.188 4.066 ( 8.866 15.329 -9.693) 20.188 4.396 ( -9.142 -12.809 -7.792) 17.560 4.396 ( 9.142 -12.809 -7.792) 17.560 4.651 ( -4.510 -2.024 1.337) 5.121 4.651 ( 4.510 -2.024 1.337) 5.121 4.686 ( -6.707 -3.891 7.196) 10.579 4.686 ( 6.707 -3.891 7.196) 10.579 5.250 ( -20.319 5.803 -9.095) 23.005 5.250 ( 20.319 5.803 -9.095) 23.005 5.353 ( -19.485 -3.045 -10.466) 22.326 5.353 ( 19.485 -3.045 -10.466) 22.326 6.545 ( -5.049 22.906 8.427) 24.924 6.545 ( 5.049 22.906 8.427) 24.924 6.735 ( -3.536 12.708 -1.942) 13.333 6.735 ( 3.536 12.708 -1.942) 13.333 6.833 ( -2.671 9.204 -5.095) 10.854 6.833 ( 2.671 9.204 -5.095) 10.854 7.009 ( -2.467 -16.807 7.528) 18.580 7.009 ( 2.467 -16.807 7.528) 18.580 7.064 ( -3.664 -11.806 0.397) 12.368 7.064 ( 3.664 -11.806 0.397) 12.368 7.130 ( -1.749 -11.406 -2.237) 11.754 7.130 ( 1.749 -11.406 -2.237) 11.754 9.022 ( -2.456 24.206 2.409) 24.449 9.022 ( 2.456 24.206 2.409) 24.449 9.525 ( -0.935 -21.528 6.933) 22.636 9.525 ( 0.935 -21.528 6.933) 22.636 10.696 ( -14.008 2.201 -12.702) 19.037 10.696 ( 14.008 2.201 -12.702) 19.037 10.749 ( -16.226 -2.711 -15.387) 22.526 10.749 ( 16.226 -2.711 -15.387) 22.526 11.692 ( -1.635 35.289 -1.109) 35.344 11.692 ( 1.636 35.289 -1.109) 35.344 12.402 ( -0.616 -29.841 -0.932) 29.862 12.402 ( 0.616 -29.841 -0.932) 29.862 13.371 ( -3.623 20.081 4.820) 20.967 13.371 ( 3.623 20.081 4.820) 20.967 13.831 ( -2.754 -21.870 8.993) 23.807 13.831 ( 2.754 -21.870 8.993) 23.807 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 0.000 -4.368) 4.368 1.846 ( 0.000 0.000 4.368) 4.368 2.097 ( 0.000 0.000 -13.387) 13.387 2.097 ( 0.000 0.000 13.387) 13.387 2.263 ( 0.000 0.000 -5.702) 5.702 2.263 ( 0.000 0.000 5.702) 5.702 2.573 ( 0.000 0.000 -18.686) 18.686 2.573 ( 0.000 0.000 18.686) 18.686 2.660 ( 0.000 0.000 -3.671) 3.671 2.660 ( 0.000 0.000 3.671) 3.671 2.698 ( 0.000 0.000 -0.697) 0.697 2.698 ( 0.000 0.000 0.697) 0.697 3.075 ( 0.000 0.000 -6.425) 6.425 3.075 ( 0.000 0.000 6.425) 6.425 3.305 ( 0.000 0.000 -0.631) 0.631 3.305 ( 0.000 0.000 0.631) 0.631 3.585 ( 0.000 0.000 -1.735) 1.735 3.585 ( 0.000 0.000 1.735) 1.735 3.734 ( 0.000 0.000 -5.365) 5.365 3.734 ( 0.000 0.000 5.365) 5.365 4.077 ( 0.000 0.000 -20.453) 20.453 4.077 ( 0.000 0.000 20.453) 20.453 4.320 ( 0.000 0.000 -7.499) 7.499 4.320 ( 0.000 0.000 7.499) 7.499 4.440 ( 0.000 0.000 -8.253) 8.253 4.440 ( 0.000 0.000 8.253) 8.253 4.874 ( 0.000 0.000 -1.747) 1.747 4.874 ( 0.000 0.000 1.747) 1.747 5.311 ( 0.000 0.000 -23.971) 23.971 5.311 ( 0.000 0.000 23.971) 23.971 5.756 ( 0.000 0.000 -13.533) 13.533 5.756 ( 0.000 0.000 13.533) 13.533 6.164 ( 0.000 0.000 -28.563) 28.563 6.164 ( 0.000 0.000 28.563) 28.563 6.671 ( 0.000 0.000 -4.814) 4.814 6.671 ( 0.000 0.000 4.814) 4.814 6.718 ( 0.000 0.000 -0.392) 0.392 6.718 ( 0.000 0.000 0.392) 0.392 6.872 ( 0.000 0.000 -7.520) 7.520 6.872 ( 0.000 0.000 7.520) 7.520 7.147 ( 0.000 0.000 -13.211) 13.211 7.147 ( 0.000 0.000 13.211) 13.211 7.363 ( 0.000 0.000 -11.240) 11.240 7.363 ( 0.000 0.000 11.240) 11.240 8.794 ( 0.000 0.000 -21.307) 21.307 8.794 ( 0.000 0.000 21.307) 21.307 9.531 ( 0.000 0.000 -24.129) 24.129 9.531 ( 0.000 0.000 24.129) 24.129 10.618 ( 0.000 0.000 -4.066) 4.066 10.618 ( 0.000 0.000 4.066) 4.066 11.620 ( 0.000 0.000 -26.260) 26.260 11.620 ( 0.000 0.000 26.260) 26.260 11.972 ( 0.000 0.000 -27.482) 27.482 11.972 ( 0.000 0.000 27.482) 27.482 12.347 ( 0.000 0.000 -24.335) 24.335 12.347 ( 0.000 0.000 24.335) 24.335 13.300 ( 0.000 0.000 -9.100) 9.100 13.300 ( 0.000 0.000 9.100) 9.100 13.544 ( 0.000 0.000 -2.850) 2.850 13.544 ( 0.000 0.000 2.850) 2.850 ======================= Grid point 182 (62/75) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -12.427 0.000 -17.300) 21.300 1.755 ( -12.427 0.000 17.300) 21.300 2.050 ( -0.911 0.000 -1.782) 2.001 2.050 ( -0.911 0.000 1.782) 2.001 2.330 ( 6.459 0.000 -8.647) 10.793 2.330 ( 6.459 0.000 8.647) 10.793 2.513 ( -3.816 0.000 -6.799) 7.797 2.513 ( -3.816 0.000 6.799) 7.797 2.764 ( 9.813 0.000 -3.791) 10.519 2.764 ( 9.813 0.000 3.791) 10.519 2.803 ( 10.726 0.000 -4.980) 11.826 2.803 ( 10.726 0.000 4.980) 11.826 3.237 ( 12.918 0.000 -9.553) 16.067 3.237 ( 12.918 0.000 9.553) 16.067 3.270 ( -3.535 0.000 -0.626) 3.590 3.270 ( -3.535 0.000 0.626) 3.590 3.566 ( -1.442 0.000 -2.230) 2.656 3.566 ( -1.442 0.000 2.230) 2.656 3.711 ( -0.275 0.000 -3.097) 3.109 3.711 ( -0.275 0.000 3.097) 3.109 4.172 ( 8.326 0.000 -19.067) 20.806 4.172 ( 8.326 0.000 19.067) 20.806 4.251 ( -4.505 0.000 -6.855) 8.203 4.251 ( -4.505 0.000 6.855) 8.203 4.534 ( 7.261 0.000 -8.619) 11.270 4.534 ( 7.261 0.000 8.619) 11.270 4.918 ( 3.937 0.000 -2.383) 4.602 4.918 ( 3.937 0.000 2.383) 4.602 5.303 ( -0.849 0.000 -22.933) 22.948 5.303 ( -0.849 0.000 22.933) 22.948 5.581 ( -15.290 0.000 -12.833) 19.962 5.581 ( -15.290 0.000 12.833) 19.962 6.139 ( -2.406 0.000 -27.952) 28.055 6.139 ( -2.406 0.000 27.952) 28.055 6.600 ( -6.270 0.000 -6.735) 9.201 6.600 ( -6.270 0.000 6.735) 9.201 6.849 ( -3.635 0.000 -7.304) 8.158 6.849 ( -3.635 0.000 7.304) 8.158 6.908 ( 16.623 0.000 -3.219) 16.932 6.908 ( 16.623 0.000 3.219) 16.932 7.178 ( 3.183 0.000 -12.250) 12.657 7.178 ( 3.183 0.000 12.250) 12.657 7.370 ( 0.639 0.000 -10.455) 10.475 7.370 ( 0.639 0.000 10.455) 10.475 8.713 ( -7.755 0.000 -19.628) 21.105 8.713 ( -7.755 0.000 19.628) 21.105 9.590 ( 6.177 0.000 -20.064) 20.993 9.590 ( 6.177 0.000 20.064) 20.993 10.627 ( 0.813 0.000 -3.867) 3.952 10.627 ( 0.813 0.000 3.867) 3.952 11.400 ( -19.794 0.000 -27.263) 33.691 11.400 ( -19.794 0.000 27.263) 33.691 11.682 ( -22.401 0.000 -28.771) 36.463 11.682 ( -22.401 0.000 28.771) 36.463 12.547 ( 13.213 0.000 -22.233) 25.863 12.547 ( 13.213 0.000 22.233) 25.863 13.346 ( -1.523 0.000 -11.711) 11.809 13.346 ( -1.523 0.000 11.711) 11.809 13.683 ( 17.511 0.000 -3.906) 17.941 13.683 ( 17.511 0.000 3.906) 17.941 ======================= Grid point 184 (63/75) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -17.190 0.000 -21.716) 27.696 1.448 ( -17.190 0.000 21.716) 27.696 2.028 ( -3.319 0.000 -10.371) 10.889 2.028 ( -3.319 0.000 10.371) 10.889 2.477 ( 8.647 0.000 -10.928) 13.935 2.477 ( 8.647 0.000 10.928) 13.935 2.481 ( 1.141 0.000 -1.553) 1.928 2.481 ( 1.141 0.000 1.553) 1.928 2.996 ( 12.228 0.000 -5.633) 13.463 2.996 ( 12.228 0.000 5.633) 13.463 3.027 ( 7.374 0.000 -10.310) 12.676 3.027 ( 7.374 0.000 10.310) 12.676 3.215 ( 1.868 0.000 -2.349) 3.001 3.215 ( 1.868 0.000 2.349) 3.001 3.377 ( 1.876 0.000 -3.230) 3.736 3.377 ( 1.876 0.000 3.230) 3.736 3.586 ( 2.611 0.000 -4.165) 4.916 3.586 ( 2.611 0.000 4.165) 4.916 3.813 ( 12.672 0.000 -10.916) 16.725 3.813 ( 12.672 0.000 10.916) 16.725 4.188 ( -1.843 0.000 -5.659) 5.952 4.188 ( -1.843 0.000 5.659) 5.952 4.345 ( 9.730 0.000 -17.534) 20.053 4.345 ( 9.730 0.000 17.534) 20.053 4.680 ( 8.054 0.000 -8.110) 11.430 4.680 ( 8.054 0.000 8.110) 11.430 4.966 ( -1.219 0.000 -6.250) 6.368 4.966 ( -1.219 0.000 6.250) 6.368 5.275 ( -2.358 0.000 -19.563) 19.704 5.275 ( -2.358 0.000 19.563) 19.704 5.292 ( -13.180 0.000 -11.175) 17.280 5.292 ( -13.180 0.000 11.175) 17.280 6.076 ( -4.203 0.000 -22.347) 22.739 6.076 ( -4.203 0.000 22.347) 22.739 6.479 ( -5.844 0.000 -6.023) 8.392 6.479 ( -5.844 0.000 6.023) 8.392 6.712 ( -10.535 0.000 -5.044) 11.681 6.712 ( -10.535 0.000 5.044) 11.681 7.213 ( 10.228 0.000 -6.432) 12.082 7.213 ( 10.228 0.000 6.432) 12.082 7.275 ( 10.474 0.000 -5.336) 11.754 7.275 ( 10.474 0.000 5.336) 11.754 7.384 ( 0.825 0.000 -8.152) 8.193 7.384 ( 0.825 0.000 8.152) 8.193 8.555 ( -7.560 0.000 -14.044) 15.949 8.555 ( -7.560 0.000 14.044) 15.949 9.759 ( 11.579 0.000 -9.869) 15.214 9.759 ( 11.579 0.000 9.869) 15.214 10.645 ( 0.968 0.000 -3.271) 3.411 10.645 ( 0.968 0.000 3.271) 3.411 10.999 ( -20.900 0.000 -24.898) 32.507 10.999 ( -20.900 0.000 24.898) 32.507 11.246 ( -22.909 0.000 -26.474) 35.010 11.246 ( -22.909 0.000 26.474) 35.010 12.750 ( 8.080 0.000 -15.898) 17.834 12.750 ( 8.080 0.000 15.898) 17.834 13.248 ( -7.087 0.000 -8.316) 10.926 13.248 ( -7.087 0.000 8.316) 10.926 14.077 ( 20.805 0.000 -3.959) 21.179 14.077 ( 20.805 0.000 3.959) 21.179 ======================= Grid point 186 (64/75) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -10.878 0.000 -14.766) 18.340 1.174 ( -10.878 0.000 14.766) 18.340 1.940 ( -4.680 0.000 -7.975) 9.247 1.940 ( -4.680 0.000 7.975) 9.247 2.534 ( 3.375 0.000 -2.890) 4.443 2.534 ( 3.375 0.000 2.890) 4.443 2.646 ( 9.170 0.000 -10.019) 13.582 2.646 ( 9.170 0.000 10.019) 13.582 2.974 ( -7.483 0.000 -6.558) 9.950 2.974 ( -7.483 0.000 6.558) 9.950 3.096 ( -1.079 0.000 -5.073) 5.187 3.096 ( -1.079 0.000 5.073) 5.187 3.381 ( 8.894 0.000 -4.174) 9.825 3.381 ( 8.894 0.000 4.174) 9.825 3.478 ( 8.250 0.000 -5.248) 9.777 3.478 ( 8.250 0.000 5.248) 9.777 3.618 ( 1.161 0.000 -6.374) 6.479 3.618 ( 1.161 0.000 6.374) 6.479 4.111 ( 16.852 0.000 -16.787) 23.786 4.111 ( 16.852 0.000 16.787) 23.786 4.190 ( 1.788 0.000 -3.004) 3.496 4.190 ( 1.788 0.000 3.004) 3.496 4.522 ( 7.048 0.000 -14.803) 16.395 4.522 ( 7.048 0.000 14.803) 16.395 4.836 ( -8.820 0.000 -9.298) 12.816 4.836 ( -8.820 0.000 9.298) 12.816 4.837 ( 8.525 0.000 -4.897) 9.832 4.837 ( 8.525 0.000 4.897) 9.832 5.119 ( -7.384 0.000 -7.399) 10.453 5.119 ( -7.384 0.000 7.399) 10.453 5.208 ( -4.853 0.000 -13.005) 13.881 5.208 ( -4.853 0.000 13.005) 13.881 5.996 ( -3.703 0.000 -12.073) 12.628 5.996 ( -3.703 0.000 12.073) 12.628 6.394 ( -3.120 0.000 -3.675) 4.821 6.394 ( -3.120 0.000 3.675) 4.821 6.496 ( -10.612 0.000 -3.180) 11.079 6.496 ( -10.612 0.000 3.180) 11.079 7.296 ( 2.194 0.000 -4.493) 5.000 7.296 ( 2.194 0.000 4.493) 5.000 7.397 ( 0.496 0.000 -4.510) 4.537 7.397 ( 0.496 0.000 4.510) 4.537 7.509 ( 9.857 0.000 -1.344) 9.948 7.509 ( 9.857 0.000 1.344) 9.948 8.464 ( -2.024 0.000 -5.887) 6.225 8.464 ( -2.024 0.000 5.887) 6.225 10.006 ( 13.798 0.000 -1.310) 13.860 10.006 ( 13.798 0.000 1.310) 13.860 10.651 ( -1.274 0.000 -3.747) 3.957 10.651 ( -1.274 0.000 3.747) 3.957 10.665 ( -13.449 0.000 -15.605) 20.601 10.665 ( -13.449 0.000 15.605) 20.601 10.856 ( -17.011 0.000 -18.418) 25.072 10.856 ( -17.011 0.000 18.418) 25.072 12.855 ( 3.312 0.000 -8.160) 8.807 12.855 ( 3.312 0.000 8.160) 8.807 13.123 ( -5.323 0.000 -4.293) 6.838 13.123 ( -5.323 0.000 4.293) 6.838 14.395 ( 12.051 0.000 -2.242) 12.257 14.395 ( 12.051 0.000 2.242) 12.257 ======================= Grid point 188 (65/75) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 0.000 -0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 2.572 ( -0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.815 ( -0.000 0.000 -0.000) 0.000 2.815 ( -0.000 0.000 0.000) 0.000 2.818 ( -0.000 0.000 -0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 -0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.635 ( -0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 -0.000) 0.000 4.373 ( -0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 -0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 -0.000) 0.000 5.000 ( -0.000 0.000 0.000) 0.000 5.129 ( -0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.958 ( -0.000 0.000 -0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.361 ( -0.000 0.000 -0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 10.189 ( -0.000 0.000 -0.000) 0.000 10.189 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.565 ( 0.000 0.000 0.000) 0.000 10.565 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 198 (66/75) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 -5.053 -5.913) 7.778 1.790 ( 0.000 -5.053 5.913) 7.778 2.042 ( 0.000 -4.512 -9.737) 10.732 2.042 ( 0.000 -4.512 9.737) 10.732 2.276 ( 0.000 1.295 -0.447) 1.370 2.276 ( 0.000 1.295 0.447) 1.370 2.523 ( 0.000 -2.748 -12.182) 12.488 2.523 ( 0.000 -2.748 12.182) 12.488 2.579 ( 0.000 -2.549 -5.193) 5.785 2.579 ( 0.000 -2.549 5.193) 5.785 2.845 ( 0.000 6.230 -4.834) 7.886 2.845 ( 0.000 6.230 4.834) 7.886 3.082 ( 0.000 0.964 -7.746) 7.805 3.082 ( 0.000 0.964 7.746) 7.805 3.165 ( 0.000 -7.919 -2.594) 8.333 3.165 ( 0.000 -7.919 2.594) 8.333 3.585 ( 0.000 -4.157 -4.100) 5.839 3.585 ( 0.000 -4.157 4.100) 5.839 3.680 ( 0.000 -2.470 -4.160) 4.838 3.680 ( 0.000 -2.470 4.160) 4.838 4.130 ( 0.000 2.767 -15.736) 15.978 4.130 ( 0.000 2.767 15.736) 15.978 4.364 ( 0.000 2.537 -6.493) 6.971 4.364 ( 0.000 2.537 6.493) 6.971 4.572 ( 0.000 12.884 -8.609) 15.496 4.572 ( 0.000 12.884 8.609) 15.496 5.045 ( 0.000 14.638 -2.418) 14.837 5.045 ( 0.000 14.638 2.418) 14.837 5.341 ( 0.000 2.856 -20.401) 20.600 5.341 ( 0.000 2.856 20.401) 20.600 5.660 ( 0.000 -8.202 -11.110) 13.810 5.660 ( 0.000 -8.202 11.110) 13.810 6.132 ( 0.000 -2.551 -26.473) 26.596 6.132 ( 0.000 -2.551 26.473) 26.596 6.587 ( 0.000 -11.452 -2.098) 11.643 6.587 ( 0.000 -11.452 2.098) 11.643 6.745 ( 0.000 6.521 -4.282) 7.802 6.745 ( 0.000 6.521 4.282) 7.802 6.927 ( 0.000 4.397 -6.729) 8.038 6.927 ( 0.000 4.397 6.729) 8.038 7.127 ( 0.000 -1.822 -12.679) 12.810 7.127 ( 0.000 -1.822 12.679) 12.810 7.349 ( 0.000 -2.712 -10.156) 10.512 7.349 ( 0.000 -2.712 10.156) 10.512 8.872 ( 0.000 7.834 -19.469) 20.986 8.872 ( 0.000 7.834 19.469) 20.986 9.495 ( 0.000 -3.718 -22.881) 23.181 9.495 ( 0.000 -3.718 22.881) 23.181 10.887 ( 0.000 23.661 -3.722) 23.952 10.887 ( 0.000 23.661 3.722) 23.952 11.653 ( 0.000 2.949 -26.412) 26.576 11.653 ( 0.000 2.949 26.412) 26.576 11.939 ( 0.000 -3.013 -27.175) 27.341 11.939 ( 0.000 -3.013 27.175) 27.341 12.304 ( 0.000 -4.665 -22.078) 22.566 12.304 ( 0.000 -4.665 22.078) 22.566 13.232 ( 0.000 -5.729 -9.091) 10.746 13.232 ( 0.000 -5.729 9.091) 10.746 13.389 ( 0.000 -13.166 -3.082) 13.522 13.389 ( 0.000 -13.166 3.082) 13.522 ======================= Grid point 200 (67/75) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -8.275 -2.037 -12.303) 14.966 1.733 ( -8.275 -2.037 12.303) 14.966 1.994 ( -1.607 -3.952 -7.537) 8.661 1.994 ( -1.607 -3.952 7.537) 8.661 2.340 ( 5.404 0.567 -1.272) 5.581 2.340 ( 5.404 0.567 1.272) 5.581 2.529 ( -1.007 1.452 -5.691) 5.959 2.529 ( -1.007 1.452 5.691) 5.959 2.677 ( 11.224 -4.113 -4.263) 12.692 2.677 ( 11.224 -4.113 4.263) 12.692 2.878 ( 6.547 2.907 -4.899) 8.678 2.878 ( 6.547 2.907 4.899) 8.678 3.164 ( 0.257 -6.819 -2.493) 7.265 3.164 ( 0.257 -6.819 2.493) 7.265 3.239 ( 11.942 -0.021 -9.400) 15.198 3.239 ( 11.942 -0.021 9.400) 15.198 3.599 ( 1.104 -0.605 -5.221) 5.371 3.599 ( 1.104 -0.605 5.221) 5.371 3.674 ( 0.382 -2.455 -4.126) 4.816 3.674 ( 0.382 -2.455 4.126) 4.816 4.165 ( 3.208 1.037 -14.764) 15.144 4.165 ( 3.208 1.037 14.764) 15.144 4.317 ( -4.784 5.973 -5.813) 9.611 4.317 ( -4.784 5.973 5.813) 9.611 4.550 ( 0.440 3.085 -5.044) 5.929 4.550 ( 0.440 3.085 5.044) 5.929 5.100 ( 2.724 10.447 -9.533) 14.403 5.100 ( 2.724 10.447 9.533) 14.403 5.373 ( 0.880 6.698 -18.687) 19.871 5.373 ( 0.880 6.698 18.687) 19.871 5.487 ( -12.062 -6.012 -10.599) 17.146 5.487 ( -12.062 -6.012 10.599) 17.146 6.116 ( -1.471 -1.424 -25.652) 25.734 6.116 ( -1.471 -1.424 25.652) 25.734 6.671 ( -4.799 5.380 -6.907) 9.984 6.671 ( -4.799 5.380 6.907) 9.984 6.786 ( 14.975 -8.961 -3.618) 17.823 6.786 ( 14.975 -8.961 3.618) 17.823 6.916 ( -1.801 4.465 -6.679) 8.233 6.916 ( -1.801 4.465 6.679) 8.233 7.148 ( 2.091 -2.758 -11.784) 12.282 7.148 ( 2.091 -2.758 11.784) 12.282 7.348 ( -0.138 -3.266 -9.354) 9.908 7.348 ( -0.138 -3.266 9.354) 9.908 8.802 ( -6.684 8.924 -17.690) 20.911 8.802 ( -6.684 8.924 17.690) 20.911 9.539 ( 4.782 -5.040 -19.075) 20.301 9.539 ( 4.782 -5.040 19.075) 20.301 10.882 ( -0.746 21.732 -4.117) 22.131 10.882 ( -0.746 21.732 4.117) 22.131 11.448 ( -18.211 4.897 -25.731) 31.902 11.448 ( -18.211 4.897 25.731) 31.902 11.645 ( -22.136 -3.251 -27.556) 35.495 11.645 ( -22.136 -3.251 27.556) 35.495 12.526 ( 14.609 -3.253 -20.389) 25.293 12.526 ( 14.609 -3.253 20.389) 25.293 13.246 ( -2.713 -8.103 -10.135) 13.256 13.246 ( -2.713 -8.103 10.135) 13.256 13.551 ( 18.128 -11.136 -3.792) 21.611 13.551 ( 18.128 -11.136 3.792) 21.611 ======================= Grid point 202 (68/75) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -13.955 5.155 -16.543) 22.249 1.500 ( -13.955 5.155 16.543) 22.249 2.001 ( 0.429 -2.222 -8.562) 8.856 2.001 ( 0.429 -2.222 8.562) 8.856 2.418 ( 2.450 -2.990 -2.771) 4.756 2.418 ( 2.450 -2.990 2.771) 4.756 2.542 ( 3.327 1.666 -8.813) 9.566 2.542 ( 3.327 1.666 8.813) 9.566 2.899 ( 8.320 -4.318 -4.821) 10.541 2.899 ( 8.320 -4.318 4.821) 10.541 3.082 ( 11.826 0.774 -7.763) 14.167 3.082 ( 11.826 0.774 7.763) 14.167 3.213 ( 7.752 -0.359 -3.728) 8.609 3.213 ( 7.752 -0.359 3.728) 8.609 3.400 ( 3.719 0.847 -4.072) 5.580 3.400 ( 3.719 0.847 4.072) 5.580 3.609 ( 0.481 2.229 -1.627) 2.801 3.609 ( 0.481 2.229 1.627) 2.801 3.773 ( 10.850 -3.818 -11.297) 16.122 3.773 ( 10.850 -3.818 11.297) 16.122 4.147 ( -5.387 0.731 -7.051) 8.903 4.147 ( -5.387 0.731 7.051) 8.903 4.328 ( 7.570 -0.868 -11.085) 13.452 4.328 ( 7.570 -0.868 11.085) 13.452 4.610 ( 5.060 -2.472 -3.179) 6.467 4.610 ( 5.060 -2.472 3.179) 6.467 5.050 ( -10.540 -4.060 -14.423) 18.319 5.050 ( -10.540 -4.060 14.423) 18.319 5.186 ( -8.236 -1.472 -12.597) 15.123 5.186 ( -8.236 -1.472 12.597) 15.123 5.483 ( 0.847 14.501 -8.582) 16.872 5.483 ( 0.847 14.501 8.582) 16.872 6.095 ( -0.008 3.677 -19.402) 19.747 6.095 ( -0.008 3.677 19.402) 19.747 6.568 ( -5.108 7.676 -5.962) 10.980 6.568 ( -5.108 7.676 5.962) 10.980 6.790 ( -8.829 6.723 -5.002) 12.172 6.790 ( -8.829 6.723 5.002) 12.172 7.121 ( 15.445 -9.774 -4.235) 18.762 7.121 ( 15.445 -9.774 4.235) 18.762 7.200 ( 3.642 -5.599 -8.435) 10.759 7.200 ( 3.642 -5.599 8.435) 10.759 7.342 ( -0.623 -4.981 -6.819) 8.468 7.342 ( -0.623 -4.981 6.819) 8.468 8.669 ( -6.089 11.524 -12.015) 17.727 8.669 ( -6.089 11.524 12.015) 17.727 9.677 ( 9.700 -8.020 -9.431) 15.727 9.677 ( 9.700 -8.020 9.431) 15.727 10.833 ( -6.088 11.261 -8.633) 15.440 10.833 ( -6.088 11.261 8.633) 15.440 11.106 ( -15.378 12.317 -17.886) 26.610 11.106 ( -15.378 12.317 17.886) 26.610 11.225 ( -20.790 0.527 -21.854) 30.168 11.225 ( -20.790 0.527 21.854) 30.168 12.753 ( 9.121 -3.542 -13.753) 16.879 12.753 ( 9.121 -3.542 13.753) 16.879 13.155 ( -5.823 -4.808 -6.424) 9.914 13.155 ( -5.823 -4.808 6.424) 9.914 13.934 ( 19.713 -12.682 -3.673) 23.726 13.934 ( 19.713 -12.682 3.673) 23.726 ======================= Grid point 204 (69/75) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -9.134 9.853 -11.019) 17.376 1.273 ( -9.134 9.853 11.019) 17.376 1.982 ( -1.887 3.360 -5.776) 6.943 1.982 ( -1.887 3.360 5.776) 6.943 2.470 ( 3.279 -5.446 -1.657) 6.569 2.470 ( 3.279 -5.446 1.657) 6.569 2.617 ( 3.391 -6.567 -7.345) 10.420 2.617 ( 3.391 -6.567 7.345) 10.420 2.954 ( 0.060 2.572 -1.133) 2.811 2.954 ( 0.060 2.572 1.133) 2.811 3.191 ( -0.294 5.422 -3.847) 6.654 3.191 ( -0.294 5.422 3.847) 6.654 3.397 ( 6.827 1.424 -2.571) 7.433 3.397 ( 6.827 1.424 2.571) 7.433 3.517 ( 9.684 2.715 -2.212) 10.298 3.517 ( 9.684 2.715 2.212) 10.298 3.621 ( 1.812 0.792 -5.558) 5.900 3.621 ( 1.812 0.792 5.558) 5.900 3.983 ( 3.743 -6.847 -8.768) 11.738 3.983 ( 3.743 -6.847 8.768) 11.738 4.105 ( 7.565 -6.615 -8.734) 13.314 4.105 ( 7.565 -6.615 8.734) 13.314 4.507 ( 8.332 -2.488 -14.588) 16.983 4.507 ( 8.332 -2.488 14.588) 16.983 4.663 ( -2.752 -6.234 -7.518) 10.146 4.663 ( -2.752 -6.234 7.518) 10.146 4.877 ( -0.183 -6.481 -8.679) 10.833 4.877 ( -0.183 -6.481 8.679) 10.833 5.072 ( -5.923 1.897 -11.886) 13.415 5.072 ( -5.923 1.897 11.886) 13.415 5.394 ( -9.797 8.233 -9.401) 15.879 5.394 ( -9.797 8.233 9.401) 15.879 6.124 ( 2.392 13.778 -8.806) 16.526 6.124 ( 2.392 13.778 8.806) 16.526 6.495 ( -2.398 8.727 -3.723) 9.786 6.495 ( -2.398 8.727 3.723) 9.786 6.607 ( -9.163 9.518 -3.047) 13.558 6.607 ( -9.163 9.518 3.047) 13.558 7.234 ( 1.933 -5.900 -4.563) 7.705 7.234 ( 1.933 -5.900 4.563) 7.705 7.319 ( -0.611 -7.667 -3.464) 8.436 7.319 ( -0.611 -7.667 3.464) 8.436 7.388 ( 9.065 -11.335 -1.410) 14.582 7.388 ( 9.065 -11.335 1.410) 14.582 8.602 ( -1.164 13.943 -4.605) 14.730 8.602 ( -1.164 13.943 4.605) 14.730 9.886 ( 11.560 -11.417 -0.684) 16.262 9.886 ( 11.560 -11.417 0.684) 16.262 10.644 ( -10.447 0.468 -10.760) 15.005 10.644 ( -10.447 0.468 10.760) 15.005 10.803 ( -17.207 0.205 -16.652) 23.946 10.803 ( -17.207 0.205 16.652) 23.946 11.015 ( -2.697 24.654 -4.613) 25.227 11.015 ( -2.697 24.654 4.613) 25.227 12.868 ( 3.232 -9.733 -5.313) 11.550 12.868 ( 3.232 -9.733 5.313) 11.550 13.060 ( -3.535 4.979 -2.232) 6.501 13.060 ( -3.535 4.979 2.232) 6.501 14.234 ( 11.328 -14.503 -2.031) 18.514 14.234 ( 11.328 -14.503 2.031) 18.514 ======================= Grid point 206 (70/75) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 11.572 0.000) 11.572 1.183 ( 0.000 11.572 0.000) 11.572 1.959 ( 0.000 5.595 0.000) 5.595 1.959 ( 0.000 5.595 0.000) 5.595 2.510 ( -0.000 -4.937 0.000) 4.937 2.510 ( 0.000 -4.937 0.000) 4.937 2.648 ( 0.000 -14.660 0.000) 14.660 2.648 ( 0.000 -14.660 0.000) 14.660 2.955 ( 0.000 11.050 -0.000) 11.050 2.955 ( 0.000 11.050 0.000) 11.050 3.166 ( -0.000 6.847 0.000) 6.847 3.166 ( 0.000 6.847 0.000) 6.847 3.483 ( -0.000 1.402 -0.000) 1.402 3.483 ( 0.000 1.402 0.000) 1.402 3.549 ( 0.000 -1.479 0.000) 1.479 3.549 ( 0.000 -1.479 0.000) 1.479 3.712 ( 0.000 7.190 0.000) 7.190 3.712 ( 0.000 7.190 0.000) 7.190 3.960 ( 0.000 -13.168 0.000) 13.168 3.960 ( 0.000 -13.168 0.000) 13.168 4.325 ( -0.000 -12.360 -0.000) 12.360 4.325 ( 0.000 -12.360 0.000) 12.360 4.418 ( 0.000 -3.752 -0.000) 3.752 4.418 ( 0.000 -3.752 0.000) 3.752 4.740 ( 0.000 -2.827 -0.000) 2.827 4.740 ( 0.000 -2.827 0.000) 2.827 4.878 ( -0.000 -4.893 -0.000) 4.893 4.878 ( 0.000 -4.893 0.000) 4.893 5.055 ( 0.000 3.535 -0.000) 3.535 5.055 ( 0.000 3.535 0.000) 3.535 5.224 ( -0.000 3.051 -0.000) 3.051 5.224 ( 0.000 3.051 0.000) 3.051 6.152 ( 0.000 18.077 0.000) 18.077 6.152 ( 0.000 18.077 0.000) 18.077 6.483 ( -0.000 8.533 -0.000) 8.533 6.483 ( 0.000 8.533 0.000) 8.533 6.500 ( -0.000 11.596 0.000) 11.596 6.500 ( 0.000 11.596 0.000) 11.596 7.254 ( -0.000 -5.774 0.000) 5.774 7.254 ( 0.000 -5.774 0.000) 5.774 7.307 ( 0.000 -9.165 0.000) 9.165 7.307 ( 0.000 -9.165 0.000) 9.165 7.478 ( 0.000 -11.806 0.000) 11.806 7.478 ( 0.000 -11.806 0.000) 11.806 8.598 ( 0.000 14.815 0.000) 14.815 8.598 ( 0.000 14.815 0.000) 14.815 10.027 ( -0.000 -14.570 -0.000) 14.570 10.027 ( 0.000 -14.570 0.000) 14.570 10.548 ( 0.000 1.098 0.000) 1.098 10.548 ( 0.000 1.098 0.000) 1.098 10.594 ( 0.000 0.389 0.000) 0.389 10.594 ( 0.000 0.389 0.000) 0.389 10.997 ( 0.000 26.091 0.000) 26.091 10.997 ( 0.000 26.091 0.000) 26.091 12.892 ( -0.000 -16.575 -0.000) 16.575 12.892 ( 0.000 -16.575 0.000) 16.575 13.030 ( 0.000 13.325 0.000) 13.325 13.030 ( 0.000 13.325 0.000) 13.325 14.342 ( 0.000 -15.195 0.000) 15.195 14.342 ( 0.000 -15.195 0.000) 15.195 ======================= Grid point 216 (71/75) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 -3.340 -5.921) 6.799 1.684 ( 0.000 -3.340 5.921) 6.799 1.942 ( 0.000 -3.579 -4.584) 5.815 1.942 ( 0.000 -3.579 4.584) 5.815 2.313 ( 0.000 1.517 -3.737) 4.033 2.313 ( 0.000 1.517 3.737) 4.033 2.496 ( 0.000 0.134 -7.073) 7.074 2.496 ( 0.000 0.134 7.073) 7.074 2.542 ( 0.000 -1.216 -1.521) 1.947 2.542 ( 0.000 -1.216 1.521) 1.947 2.916 ( 0.000 1.229 -4.719) 4.876 2.916 ( 0.000 1.229 4.719) 4.876 3.025 ( 0.000 -3.643 -0.103) 3.644 3.025 ( 0.000 -3.643 0.103) 3.644 3.138 ( 0.000 1.883 -2.496) 3.127 3.138 ( 0.000 1.883 2.496) 3.127 3.495 ( 0.000 -2.254 -3.259) 3.963 3.495 ( 0.000 -2.254 3.259) 3.963 3.633 ( 0.000 -1.835 -1.964) 2.687 3.633 ( 0.000 -1.835 1.964) 2.687 4.159 ( 0.000 0.428 -5.749) 5.765 4.159 ( 0.000 0.428 5.749) 5.765 4.393 ( 0.000 0.498 -2.230) 2.285 4.393 ( 0.000 0.498 2.230) 2.285 4.902 ( 0.000 15.096 -10.347) 18.302 4.902 ( 0.000 15.096 10.347) 18.302 5.226 ( 0.000 -4.221 -7.621) 8.712 5.226 ( 0.000 -4.221 7.621) 8.712 5.488 ( 0.000 -3.279 -3.663) 4.916 5.488 ( 0.000 -3.279 3.663) 4.916 5.542 ( 0.000 14.421 -0.818) 14.444 5.542 ( 0.000 14.421 0.818) 14.444 6.085 ( 0.000 -1.222 -16.818) 16.863 6.085 ( 0.000 -1.222 16.818) 16.863 6.281 ( 0.000 -14.659 -5.693) 15.725 6.281 ( 0.000 -14.659 5.693) 15.725 6.913 ( 0.000 7.888 -0.555) 7.907 6.913 ( 0.000 7.888 0.555) 7.907 7.039 ( 0.000 6.056 -1.348) 6.204 7.039 ( 0.000 6.056 1.348) 6.205 7.069 ( 0.000 -3.614 -9.063) 9.757 7.069 ( 0.000 -3.614 9.063) 9.757 7.224 ( 0.000 -8.098 -6.737) 10.534 7.224 ( 0.000 -8.098 6.737) 10.534 9.100 ( 0.000 11.771 -16.769) 20.488 9.100 ( 0.000 11.771 16.769) 20.488 9.364 ( 0.000 -8.357 -18.768) 20.545 9.364 ( 0.000 -8.357 18.768) 20.545 11.501 ( 0.000 30.525 -5.527) 31.022 11.501 ( 0.000 30.525 5.527) 31.022 11.735 ( 0.000 4.348 -26.624) 26.977 11.735 ( 0.000 4.348 26.624) 26.977 11.855 ( 0.000 -4.375 -25.457) 25.830 11.855 ( 0.000 -4.375 25.457) 25.830 12.086 ( 0.000 -17.657 -12.581) 21.681 12.086 ( 0.000 -17.657 12.581) 21.681 13.090 ( 0.000 -7.510 -3.113) 8.130 13.090 ( 0.000 -7.510 3.113) 8.130 13.134 ( 0.000 -5.486 -3.134) 6.318 13.134 ( 0.000 -5.486 3.134) 6.318 ======================= Grid point 218 (72/75) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.023 -1.587 -5.469) 5.694 1.686 ( 0.023 -1.587 5.469) 5.694 1.924 ( -1.302 -2.054 -6.303) 6.756 1.924 ( -1.302 -2.054 6.303) 6.756 2.362 ( 2.390 1.274 -4.077) 4.894 2.362 ( 2.390 1.274 4.077) 4.894 2.555 ( 1.100 0.789 -4.362) 4.567 2.555 ( 1.100 0.789 4.362) 4.567 2.609 ( 10.378 -2.350 -3.169) 11.103 2.609 ( 10.378 -2.350 3.169) 11.103 2.897 ( 2.878 -0.678 -4.989) 5.799 2.897 ( 2.878 -0.678 4.989) 5.799 3.060 ( 4.469 -2.170 -0.903) 5.049 3.060 ( 4.469 -2.170 0.903) 5.049 3.241 ( 7.783 0.046 -4.217) 8.852 3.241 ( 7.783 0.046 4.217) 8.852 3.555 ( 5.922 -1.405 -4.585) 7.620 3.555 ( 5.922 -1.405 4.585) 7.620 3.640 ( 0.597 -1.021 -0.925) 1.502 3.640 ( 0.597 -1.021 0.925) 1.502 4.179 ( 2.313 0.159 -5.574) 6.037 4.179 ( 2.313 0.159 5.574) 6.037 4.416 ( 1.934 1.737 -2.776) 3.803 4.416 ( 1.934 1.737 2.776) 3.803 4.752 ( -13.082 15.204 -8.887) 21.938 4.752 ( -13.082 15.204 8.887) 21.938 5.085 ( -12.561 -12.274 -11.708) 21.107 5.085 ( -12.561 -12.274 11.708) 21.107 5.337 ( -9.586 -0.705 -6.271) 11.476 5.337 ( -9.586 -0.705 6.271) 11.476 5.693 ( 8.044 11.851 -3.020) 14.638 5.693 ( 8.044 11.851 3.020) 14.638 6.148 ( 5.835 7.348 -16.596) 19.065 6.148 ( 5.835 7.348 16.596) 19.065 6.463 ( 16.531 -17.241 -7.722) 25.103 6.463 ( 16.531 -17.241 7.722) 25.103 6.860 ( -4.058 8.342 -5.799) 10.940 6.860 ( -4.058 8.342 5.799) 10.940 7.037 ( -1.432 4.166 -7.468) 8.670 7.037 ( -1.432 4.166 7.468) 8.670 7.067 ( -0.458 -2.346 -7.619) 7.985 7.067 ( -0.458 -2.346 7.619) 7.985 7.215 ( -0.970 -8.320 -6.804) 10.791 7.215 ( -0.970 -8.320 6.804) 10.791 9.066 ( -3.135 14.048 -15.043) 20.820 9.066 ( -3.135 14.048 15.043) 20.820 9.369 ( 0.932 -10.730 -16.241) 19.488 9.369 ( 0.932 -10.730 16.241) 19.488 11.325 ( -16.860 13.393 -16.344) 27.032 11.325 ( -16.860 13.393 16.344) 27.032 11.522 ( -20.915 -4.581 -25.167) 33.043 11.522 ( -20.915 -4.581 25.167) 33.043 11.740 ( -1.798 22.170 -12.759) 25.643 11.740 ( -1.798 22.170 12.759) 25.643 12.296 ( 10.534 -20.344 -10.775) 25.317 12.296 ( 10.534 -20.344 10.775) 25.317 13.135 ( 4.728 0.694 -2.386) 5.341 13.135 ( 4.728 0.694 2.386) 5.341 13.294 ( 14.838 -11.034 -5.085) 19.178 13.294 ( 14.838 -11.034 5.085) 19.178 ======================= Grid point 220 (73/75) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -3.076 8.636 -5.233) 10.555 1.661 ( -3.076 8.636 5.233) 10.555 1.925 ( 1.834 -5.204 -5.411) 7.728 1.925 ( 1.834 -5.204 5.411) 7.728 2.366 ( -1.450 -1.323 -4.050) 4.501 2.366 ( -1.450 -1.323 4.050) 4.501 2.503 ( -4.500 -3.664 -5.128) 7.744 2.503 ( -4.500 -3.664 5.128) 7.744 2.861 ( 12.933 0.252 -1.936) 13.079 2.861 ( 12.933 0.252 1.936) 13.079 3.056 ( 11.178 -1.599 -4.527) 12.165 3.056 ( 11.178 -1.599 4.527) 12.165 3.234 ( 14.280 1.907 -0.794) 14.429 3.234 ( 14.280 1.907 0.794) 14.429 3.388 ( 7.635 -1.582 -2.752) 8.268 3.388 ( 7.635 -1.582 2.752) 8.268 3.646 ( 0.873 1.236 -3.634) 3.936 3.646 ( 0.873 1.236 3.634) 3.936 3.692 ( 7.159 -2.769 -8.384) 11.367 3.692 ( 7.159 -2.769 8.384) 11.367 4.242 ( 2.292 2.423 -4.912) 5.937 4.242 ( 2.292 2.423 4.912) 5.937 4.378 ( -6.858 8.224 -0.413) 10.716 4.378 ( -6.858 8.224 0.413) 10.716 4.596 ( 0.073 1.685 -1.607) 2.330 4.596 ( 0.073 1.685 1.607) 2.330 4.796 ( -14.759 -14.820 -11.235) 23.742 4.796 ( -14.759 -14.820 11.235) 23.742 5.215 ( -4.947 1.294 -7.150) 8.790 5.215 ( -4.947 1.294 7.150) 8.790 5.696 ( -7.287 3.765 -5.199) 9.711 5.696 ( -7.287 3.765 5.199) 9.711 6.334 ( 12.460 17.868 -10.159) 24.036 6.334 ( 12.460 17.868 10.159) 24.036 6.737 ( 4.550 -0.949 -5.488) 7.192 6.737 ( 4.550 -0.949 5.488) 7.192 6.835 ( 7.695 -6.072 -5.032) 11.018 6.835 ( 7.695 -6.072 5.032) 11.018 6.972 ( -5.360 7.810 -5.021) 10.720 6.972 ( -5.360 7.810 5.021) 10.720 7.049 ( -0.806 -8.146 -6.693) 10.574 7.049 ( -0.806 -8.146 6.693) 10.574 7.181 ( -2.838 -8.915 -4.893) 10.558 7.181 ( -2.838 -8.915 4.893) 10.558 9.015 ( -1.375 19.021 -9.025) 21.098 9.015 ( -1.375 19.021 9.025) 21.098 9.419 ( 4.655 -15.828 -8.602) 18.606 9.419 ( 4.655 -15.828 8.602) 18.606 10.963 ( -19.431 3.015 -13.202) 23.684 10.963 ( -19.431 3.015 13.202) 23.684 11.128 ( -20.325 -2.679 -16.497) 26.314 11.128 ( -20.325 -2.679 16.497) 26.314 11.711 ( -1.378 32.981 -4.541) 33.321 11.711 ( -1.378 32.981 4.541) 33.321 12.405 ( 1.784 -27.193 -3.577) 27.485 12.405 ( 1.784 -27.193 3.577) 27.485 13.255 ( 7.210 12.875 -4.857) 15.535 13.255 ( 7.210 12.875 4.857) 15.535 13.597 ( 15.473 -17.535 -4.943) 23.902 13.597 ( 15.473 -17.535 4.943) 23.902 ======================= Grid point 222 (74/75) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -3.297 19.180 -3.616) 19.794 1.593 ( -3.297 19.180 3.616) 19.794 1.974 ( 2.560 -9.640 -2.496) 10.281 1.974 ( 2.560 -9.640 2.496) 10.281 2.331 ( -1.563 -3.765 -1.971) 4.528 2.331 ( -1.563 -3.765 1.971) 4.528 2.425 ( -3.525 -7.144 -4.458) 9.129 2.425 ( -3.525 -7.144 4.458) 9.129 3.070 ( 9.675 5.629 -1.509) 11.295 3.070 ( 9.675 5.629 1.509) 11.295 3.235 ( 6.671 -1.346 -1.971) 7.085 3.235 ( 6.671 -1.346 1.971) 7.085 3.454 ( 4.396 3.886 -5.672) 8.161 3.454 ( 4.396 3.886 5.672) 8.161 3.526 ( 5.315 -2.161 -4.633) 7.375 3.526 ( 5.315 -2.161 4.633) 7.375 3.688 ( 6.160 5.880 -10.900) 13.832 3.688 ( 6.160 5.880 10.900) 13.832 3.852 ( 10.832 -8.507 -14.992) 20.359 3.852 ( 10.832 -8.507 14.992) 20.359 4.096 ( -11.590 8.906 -7.561) 16.456 4.096 ( -11.590 8.906 7.561) 16.456 4.364 ( -6.016 -11.124 -14.330) 19.113 4.364 ( -6.016 -11.124 14.330) 19.113 4.569 ( 4.957 -2.347 -2.602) 6.071 4.569 ( 4.957 -2.347 2.602) 6.071 4.755 ( 6.851 -2.882 -3.712) 8.308 4.755 ( 6.851 -2.882 3.712) 8.308 5.116 ( -5.016 1.310 -6.317) 8.172 5.116 ( -5.016 1.310 6.317) 8.172 5.471 ( -15.430 0.626 -5.715) 16.467 5.471 ( -15.430 0.626 5.715) 16.467 6.544 ( 8.617 22.452 -5.011) 24.565 6.544 ( 8.617 22.452 5.011) 24.565 6.725 ( -1.063 11.905 -3.230) 12.381 6.725 ( -1.063 11.905 3.230) 12.381 6.842 ( -6.015 10.943 -2.538) 12.743 6.842 ( -6.015 10.943 2.538) 12.743 7.035 ( 3.058 -15.575 -2.943) 16.143 7.035 ( 3.058 -15.575 2.943) 16.143 7.056 ( 5.371 -14.214 -1.915) 15.315 7.056 ( 5.371 -14.214 1.915) 15.315 7.119 ( -3.097 -10.549 -2.510) 11.277 7.119 ( -3.097 -10.549 2.510) 11.277 9.025 ( 1.977 23.747 -2.439) 23.953 9.025 ( 1.977 23.747 2.439) 23.953 9.532 ( 6.410 -21.148 -0.898) 22.117 9.532 ( 6.410 -21.148 0.898) 22.117 10.656 ( -11.672 0.456 -5.479) 12.902 10.656 ( -11.672 0.456 5.479) 12.902 10.781 ( -15.812 -0.954 -7.708) 17.616 10.781 ( -15.812 -0.954 7.708) 17.616 11.689 ( -0.845 35.100 -1.608) 35.147 11.689 ( -0.845 35.100 1.608) 35.147 12.403 ( -0.999 -29.572 -0.609) 29.595 12.403 ( -0.999 -29.572 0.609) 29.595 13.373 ( 4.653 20.019 -3.645) 20.874 13.373 ( 4.653 20.019 3.645) 20.874 13.832 ( 8.877 -21.884 -2.751) 23.776 13.832 ( 8.877 -21.884 2.751) 23.776 ======================= Grid point 224 (75/75) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 22.721 0.000) 22.721 1.559 ( 0.000 22.721 0.000) 22.721 2.000 ( -0.000 -10.277 0.000) 10.277 2.000 ( 0.000 -10.277 0.000) 10.277 2.319 ( 0.000 -7.016 0.000) 7.016 2.319 ( 0.000 -7.016 0.000) 7.016 2.385 ( -0.000 -6.432 0.000) 6.432 2.385 ( 0.000 -6.432 0.000) 6.432 3.190 ( 0.000 9.275 0.000) 9.275 3.190 ( 0.000 9.275 -0.000) 9.275 3.282 ( -0.000 1.759 0.000) 1.759 3.282 ( 0.000 1.759 0.000) 1.759 3.508 ( -0.000 0.607 -0.000) 0.607 3.508 ( -0.000 0.607 0.000) 0.607 3.514 ( 0.000 -0.941 -0.000) 0.941 3.514 ( 0.000 -0.941 0.000) 0.941 3.830 ( -0.000 1.825 0.000) 1.825 3.830 ( 0.000 1.825 0.000) 1.825 3.919 ( -0.000 9.854 -0.000) 9.854 3.919 ( 0.000 9.854 0.000) 9.854 4.034 ( 0.000 -10.990 -0.000) 10.990 4.034 ( 0.000 -10.990 0.000) 10.990 4.219 ( 0.000 -12.830 -0.000) 12.830 4.219 ( 0.000 -12.830 0.000) 12.830 4.734 ( 0.000 1.334 -0.000) 1.334 4.734 ( 0.000 1.334 0.000) 1.334 4.785 ( -0.000 -3.508 -0.000) 3.508 4.785 ( 0.000 -3.508 0.000) 3.508 5.135 ( 0.000 3.891 -0.000) 3.891 5.135 ( 0.000 3.891 0.000) 3.891 5.212 ( -0.000 -2.981 -0.000) 2.981 5.212 ( 0.000 -2.981 0.000) 2.981 6.629 ( 0.000 24.040 -0.000) 24.040 6.629 ( 0.000 24.040 0.000) 24.040 6.719 ( -0.000 13.098 0.000) 13.098 6.719 ( 0.000 13.098 0.000) 13.098 6.774 ( -0.000 12.096 0.000) 12.096 6.774 ( 0.000 12.096 0.000) 12.096 7.047 ( -0.000 -13.552 -0.000) 13.552 7.047 ( -0.000 -13.552 0.000) 13.552 7.080 ( -0.000 -10.025 -0.000) 10.025 7.080 ( 0.000 -10.025 0.000) 10.025 7.132 ( 0.000 -19.784 0.000) 19.784 7.132 ( 0.000 -19.784 0.000) 19.784 9.053 ( 0.000 25.964 0.000) 25.964 9.053 ( 0.000 25.964 0.000) 25.964 9.605 ( -0.000 -24.371 -0.000) 24.371 9.605 ( 0.000 -24.371 0.000) 24.371 10.570 ( 0.000 0.975 0.000) 0.975 10.570 ( 0.000 0.975 0.000) 0.975 10.588 ( 0.000 -0.665 0.000) 0.665 10.588 ( 0.000 -0.665 0.000) 0.665 11.681 ( 0.000 35.333 0.000) 35.333 11.681 ( 0.000 35.333 0.000) 35.333 12.391 ( 0.000 -29.875 0.000) 29.875 12.391 ( 0.000 -29.875 0.000) 29.875 13.418 ( 0.000 22.233 0.000) 22.233 13.418 ( 0.000 22.233 0.000) 22.233 13.917 ( 0.000 -23.418 0.000) 23.418 13.917 ( 0.000 -23.418 0.000) 23.418 =================== 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 3/19200 10.0 373.187 302.800 323.985 0.000 0.000 0.000 3/19200 20.0 47.774 49.909 51.008 0.000 0.000 0.000 3/19200 30.0 20.043 20.601 21.719 0.000 0.000 0.000 3/19200 40.0 12.280 12.283 13.233 0.000 0.000 0.000 3/19200 50.0 8.958 8.793 9.588 0.000 0.000 0.000 3/19200 60.0 7.197 6.982 7.656 0.000 0.000 0.000 3/19200 70.0 6.133 5.908 6.487 0.000 0.000 0.000 3/19200 80.0 5.428 5.207 5.712 0.000 0.000 0.000 3/19200 90.0 4.925 4.713 5.159 0.000 0.000 0.000 3/19200 100.0 4.545 4.344 4.743 0.000 0.000 0.000 3/19200 110.0 4.244 4.052 4.413 0.000 0.000 0.000 3/19200 120.0 3.995 3.813 4.141 0.000 0.000 0.000 3/19200 130.0 3.782 3.609 3.910 0.000 0.000 0.000 3/19200 140.0 3.597 3.431 3.710 0.000 0.000 0.000 3/19200 150.0 3.431 3.273 3.532 0.000 0.000 0.000 3/19200 160.0 3.281 3.131 3.372 0.000 0.000 0.000 3/19200 170.0 3.145 3.001 3.227 0.000 0.000 0.000 3/19200 180.0 3.019 2.882 3.095 0.000 0.000 0.000 3/19200 190.0 2.903 2.771 2.972 0.000 0.000 0.000 3/19200 200.0 2.795 2.669 2.859 0.000 0.000 0.000 3/19200 210.0 2.694 2.573 2.754 0.000 0.000 0.000 3/19200 220.0 2.600 2.484 2.655 0.000 0.000 0.000 3/19200 230.0 2.512 2.400 2.564 0.000 0.000 0.000 3/19200 240.0 2.429 2.321 2.478 0.000 0.000 0.000 3/19200 250.0 2.351 2.247 2.397 0.000 0.000 0.000 3/19200 260.0 2.278 2.177 2.321 0.000 0.000 0.000 3/19200 270.0 2.208 2.111 2.249 0.000 0.000 0.000 3/19200 280.0 2.143 2.049 2.182 0.000 0.000 0.000 3/19200 290.0 2.081 1.990 2.118 0.000 0.000 0.000 3/19200 300.0 2.022 1.934 2.057 0.000 0.000 0.000 3/19200 310.0 1.966 1.880 2.000 0.000 0.000 0.000 3/19200 320.0 1.913 1.830 1.946 0.000 0.000 0.000 3/19200 330.0 1.863 1.782 1.894 0.000 0.000 0.000 3/19200 340.0 1.815 1.736 1.845 0.000 0.000 0.000 3/19200 350.0 1.769 1.693 1.798 0.000 0.000 0.000 3/19200 360.0 1.726 1.651 1.754 0.000 0.000 0.000 3/19200 370.0 1.684 1.612 1.711 0.000 0.000 0.000 3/19200 380.0 1.645 1.574 1.671 0.000 0.000 0.000 3/19200 390.0 1.607 1.538 1.632 0.000 0.000 0.000 3/19200 400.0 1.570 1.503 1.595 0.000 0.000 0.000 3/19200 410.0 1.536 1.470 1.559 0.000 0.000 0.000 3/19200 420.0 1.502 1.438 1.525 0.000 0.000 0.000 3/19200 430.0 1.470 1.407 1.493 0.000 0.000 0.000 3/19200 440.0 1.440 1.378 1.461 0.000 0.000 0.000 3/19200 450.0 1.410 1.350 1.431 0.000 0.000 0.000 3/19200 460.0 1.382 1.323 1.402 0.000 0.000 0.000 3/19200 470.0 1.355 1.297 1.375 0.000 0.000 0.000 3/19200 480.0 1.328 1.272 1.348 0.000 0.000 0.000 3/19200 490.0 1.303 1.248 1.322 0.000 0.000 0.000 3/19200 500.0 1.279 1.224 1.297 0.000 0.000 0.000 3/19200 510.0 1.255 1.202 1.273 0.000 0.000 0.000 3/19200 520.0 1.233 1.180 1.250 0.000 0.000 0.000 3/19200 530.0 1.211 1.159 1.228 0.000 0.000 0.000 3/19200 540.0 1.190 1.139 1.207 0.000 0.000 0.000 3/19200 550.0 1.169 1.120 1.186 0.000 0.000 0.000 3/19200 560.0 1.149 1.101 1.166 0.000 0.000 0.000 3/19200 570.0 1.130 1.082 1.146 0.000 0.000 0.000 3/19200 580.0 1.112 1.065 1.127 0.000 0.000 0.000 3/19200 590.0 1.094 1.048 1.109 0.000 0.000 0.000 3/19200 600.0 1.077 1.031 1.092 0.000 0.000 0.000 3/19200 610.0 1.060 1.015 1.074 0.000 0.000 0.000 3/19200 620.0 1.043 0.999 1.058 0.000 0.000 0.000 3/19200 630.0 1.028 0.984 1.042 0.000 0.000 0.000 3/19200 640.0 1.012 0.969 1.026 0.000 0.000 0.000 3/19200 650.0 0.997 0.955 1.011 0.000 0.000 0.000 3/19200 660.0 0.983 0.941 0.996 0.000 0.000 0.000 3/19200 670.0 0.969 0.928 0.982 0.000 0.000 0.000 3/19200 680.0 0.955 0.915 0.968 0.000 0.000 0.000 3/19200 690.0 0.942 0.902 0.954 0.000 0.000 0.000 3/19200 700.0 0.929 0.890 0.941 0.000 0.000 0.000 3/19200 710.0 0.916 0.877 0.928 0.000 0.000 0.000 3/19200 720.0 0.904 0.866 0.916 0.000 0.000 0.000 3/19200 730.0 0.892 0.854 0.904 0.000 0.000 0.000 3/19200 740.0 0.880 0.843 0.892 0.000 0.000 0.000 3/19200 750.0 0.869 0.832 0.880 0.000 0.000 0.000 3/19200 760.0 0.858 0.822 0.869 0.000 0.000 0.000 3/19200 770.0 0.847 0.811 0.858 0.000 0.000 0.000 3/19200 780.0 0.836 0.801 0.848 0.000 0.000 0.000 3/19200 790.0 0.826 0.791 0.837 0.000 0.000 0.000 3/19200 800.0 0.816 0.782 0.827 0.000 0.000 0.000 3/19200 810.0 0.806 0.772 0.817 0.000 0.000 0.000 3/19200 820.0 0.797 0.763 0.807 0.000 0.000 0.000 3/19200 830.0 0.787 0.754 0.798 0.000 0.000 0.000 3/19200 840.0 0.778 0.746 0.789 0.000 0.000 0.000 3/19200 850.0 0.769 0.737 0.780 0.000 0.000 0.000 3/19200 860.0 0.761 0.729 0.771 0.000 0.000 0.000 3/19200 870.0 0.752 0.720 0.762 0.000 0.000 0.000 3/19200 880.0 0.744 0.712 0.754 0.000 0.000 0.000 3/19200 890.0 0.736 0.705 0.745 0.000 0.000 0.000 3/19200 900.0 0.728 0.697 0.737 0.000 0.000 0.000 3/19200 910.0 0.720 0.690 0.729 0.000 0.000 0.000 3/19200 920.0 0.712 0.682 0.722 0.000 0.000 0.000 3/19200 930.0 0.705 0.675 0.714 0.000 0.000 0.000 3/19200 940.0 0.697 0.668 0.706 0.000 0.000 0.000 3/19200 950.0 0.690 0.661 0.699 0.000 0.000 0.000 3/19200 960.0 0.683 0.654 0.692 0.000 0.000 0.000 3/19200 970.0 0.676 0.648 0.685 0.000 0.000 0.000 3/19200 980.0 0.669 0.641 0.678 0.000 0.000 0.000 3/19200 990.0 0.663 0.635 0.671 0.000 0.000 0.000 3/19200 1000.0 0.656 0.629 0.665 0.000 0.000 0.000 3/19200 Thermal conductivity related properties were written into "kappa-m858.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|