----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:47:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.742546765000000 -6.244449220000000 0.000000000000000 b 2.742546765000000 6.244449220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.934914170000001 Atomic positions (fractional): *1 Li 0.21317321696198 0.78682678303802 0.75000000000000 6.941 2 Li 0.78682678303802 0.21317321696198 0.25000000000000 6.941 *3 Bi 0.85216717426302 0.14783282573698 0.75000000000000 208.980 *4 Bi 0.34151891387432 0.65848108612568 0.00695376339320 208.980 5 Bi 0.65848108612568 0.34151891387432 0.99304623660680 208.980 6 Bi 0.14783282573698 0.85216717426302 0.25000000000000 208.980 7 Bi 0.34151891387432 0.65848108612568 0.49304623660680 208.980 8 Bi 0.65848108612568 0.34151891387432 0.50695376339320 208.980 *9 Br 0.49494442001591 0.50505557998409 0.75000000000000 79.904 *10 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 11 Br 0.50505557998409 0.49494442001591 0.25000000000000 79.904 12 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 *13 O 0.00481685311609 0.48944311656937 0.87608522058445 15.999 14 O 0.51055688343064 0.99518314688391 0.87608522058445 15.999 15 O 0.99518314688391 0.51055688343063 0.12391477941555 15.999 16 O 0.48944311656936 0.00481685311609 0.12391477941555 15.999 17 O 0.99518314688391 0.51055688343063 0.37608522058445 15.999 18 O 0.00481685311609 0.48944311656937 0.62391477941555 15.999 19 O 0.48944311656936 0.00481685311609 0.37608522058445 15.999 20 O 0.51055688343064 0.99518314688391 0.62391477941555 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.485093530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488898440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.934914170000001 Atomic positions (fractional): *1 Li 0.50000000000000 0.28682678303802 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.21317321696198 0.25000000000000 6.941 > 2 3 Li 0.00000000000000 0.78682678303802 0.75000000000000 6.941 > 1 4 Li 0.50000000000000 0.71317321696198 0.25000000000000 6.941 > 2 *5 Bi 0.00000000000000 0.14783282573698 0.75000000000000 208.980 > 3 *6 Bi 0.50000000000000 0.15848108612568 0.00695376339320 208.980 > 4 7 Bi 0.00000000000000 0.34151891387432 0.99304623660680 208.980 > 5 8 Bi 0.50000000000000 0.35216717426302 0.25000000000000 208.980 > 6 9 Bi 0.50000000000000 0.15848108612568 0.49304623660680 208.980 > 7 10 Bi 0.00000000000000 0.34151891387432 0.50695376339320 208.980 > 8 11 Bi 0.50000000000000 0.64783282573698 0.75000000000000 208.980 > 3 12 Bi 0.00000000000000 0.65848108612568 0.00695376339320 208.980 > 4 13 Bi 0.50000000000000 0.84151891387432 0.99304623660680 208.980 > 5 14 Bi 0.00000000000000 0.85216717426302 0.25000000000000 208.980 > 6 15 Bi 0.00000000000000 0.65848108612568 0.49304623660680 208.980 > 7 16 Bi 0.50000000000000 0.84151891387432 0.50695376339320 208.980 > 8 *17 Br 0.50000000000000 0.00505557998409 0.75000000000000 79.904 > 9 *18 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 10 19 Br 0.00000000000000 0.49494442001591 0.25000000000000 79.904 > 11 20 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 12 21 Br 0.00000000000000 0.50505557998409 0.75000000000000 79.904 > 9 22 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 10 23 Br 0.50000000000000 0.99494442001591 0.25000000000000 79.904 > 11 24 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 > 12 *25 O 0.24712998484273 0.24231313172664 0.87608522058445 15.999 > 13 26 O 0.75287001515727 0.24231313172664 0.87608522058445 15.999 > 14 27 O 0.25287001515727 0.25768686827336 0.12391477941555 15.999 > 15 28 O 0.74712998484273 0.25768686827336 0.12391477941555 15.999 > 16 29 O 0.25287001515727 0.25768686827336 0.37608522058445 15.999 > 17 30 O 0.24712998484273 0.24231313172664 0.62391477941555 15.999 > 18 31 O 0.74712998484273 0.25768686827336 0.37608522058445 15.999 > 19 32 O 0.75287001515727 0.24231313172664 0.62391477941555 15.999 > 20 33 O 0.74712998484273 0.74231313172664 0.87608522058445 15.999 > 13 34 O 0.25287001515727 0.74231313172664 0.87608522058445 15.999 > 14 35 O 0.75287001515727 0.75768686827336 0.12391477941555 15.999 > 15 36 O 0.24712998484273 0.75768686827336 0.12391477941555 15.999 > 16 37 O 0.75287001515727 0.75768686827336 0.37608522058445 15.999 > 17 38 O 0.74712998484273 0.74231313172664 0.62391477941555 15.999 > 18 39 O 0.24712998484273 0.75768686827336 0.37608522058445 15.999 > 19 40 O 0.25287001515727 0.74231313172664 0.62391477941555 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.970187060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488898440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.934914170000001 Atomic positions (fractional): *1 Li 0.25000000000000 0.28682678303802 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28682678303802 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21317321696198 0.25000000000000 6.941 > 2 4 Li 0.50000000000000 0.21317321696198 0.25000000000000 6.941 > 2 5 Li 0.00000000000000 0.78682678303802 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78682678303802 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71317321696198 0.25000000000000 6.941 > 2 8 Li 0.75000000000000 0.71317321696198 0.25000000000000 6.941 > 2 *9 Bi 0.00000000000000 0.14783282573698 0.75000000000000 208.980 > 3 10 Bi 0.50000000000000 0.14783282573698 0.75000000000000 208.980 > 3 *11 Bi 0.25000000000000 0.15848108612568 0.00695376339320 208.980 > 4 12 Bi 0.75000000000000 0.15848108612568 0.00695376339320 208.980 > 4 13 Bi 0.00000000000000 0.34151891387432 0.99304623660680 208.980 > 5 14 Bi 0.50000000000000 0.34151891387432 0.99304623660680 208.980 > 5 15 Bi 0.25000000000000 0.35216717426302 0.25000000000000 208.980 > 6 16 Bi 0.75000000000000 0.35216717426302 0.25000000000000 208.980 > 6 17 Bi 0.25000000000000 0.15848108612568 0.49304623660680 208.980 > 7 18 Bi 0.75000000000000 0.15848108612568 0.49304623660680 208.980 > 7 19 Bi 0.00000000000000 0.34151891387432 0.50695376339320 208.980 > 8 20 Bi 0.50000000000000 0.34151891387432 0.50695376339320 208.980 > 8 21 Bi 0.25000000000000 0.64783282573698 0.75000000000000 208.980 > 3 22 Bi 0.75000000000000 0.64783282573698 0.75000000000000 208.980 > 3 23 Bi 0.00000000000000 0.65848108612568 0.00695376339320 208.980 > 4 24 Bi 0.50000000000000 0.65848108612568 0.00695376339320 208.980 > 4 25 Bi 0.25000000000000 0.84151891387432 0.99304623660680 208.980 > 5 26 Bi 0.75000000000000 0.84151891387432 0.99304623660680 208.980 > 5 27 Bi 0.00000000000000 0.85216717426302 0.25000000000000 208.980 > 6 28 Bi 0.50000000000000 0.85216717426302 0.25000000000000 208.980 > 6 29 Bi 0.00000000000000 0.65848108612568 0.49304623660680 208.980 > 7 30 Bi 0.50000000000000 0.65848108612568 0.49304623660680 208.980 > 7 31 Bi 0.25000000000000 0.84151891387432 0.50695376339320 208.980 > 8 32 Bi 0.75000000000000 0.84151891387432 0.50695376339320 208.980 > 8 *33 Br 0.25000000000000 0.00505557998409 0.75000000000000 79.904 > 9 34 Br 0.75000000000000 0.00505557998409 0.75000000000000 79.904 > 9 *35 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 10 36 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 10 37 Br 0.00000000000000 0.49494442001591 0.25000000000000 79.904 > 11 38 Br 0.50000000000000 0.49494442001591 0.25000000000000 79.904 > 11 39 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 12 40 Br 0.50000000000000 0.00000000000000 0.50000000000000 79.904 > 12 41 Br 0.00000000000000 0.50505557998409 0.75000000000000 79.904 > 9 42 Br 0.50000000000000 0.50505557998409 0.75000000000000 79.904 > 9 43 Br 0.25000000000000 0.50000000000000 0.00000000000000 79.904 > 10 44 Br 0.75000000000000 0.50000000000000 0.00000000000000 79.904 > 10 45 Br 0.25000000000000 0.99494442001591 0.25000000000000 79.904 > 11 46 Br 0.75000000000000 0.99494442001591 0.25000000000000 79.904 > 11 47 Br 0.25000000000000 0.50000000000000 0.50000000000000 79.904 > 12 48 Br 0.75000000000000 0.50000000000000 0.50000000000000 79.904 > 12 *49 O 0.12356499242136 0.24231313172664 0.87608522058445 15.999 > 13 50 O 0.62356499242136 0.24231313172664 0.87608522058445 15.999 > 13 51 O 0.37643500757864 0.24231313172664 0.87608522058445 15.999 > 14 52 O 0.87643500757864 0.24231313172664 0.87608522058445 15.999 > 14 53 O 0.12643500757864 0.25768686827336 0.12391477941555 15.999 > 15 54 O 0.62643500757864 0.25768686827336 0.12391477941555 15.999 > 15 55 O 0.37356499242136 0.25768686827336 0.12391477941555 15.999 > 16 56 O 0.87356499242136 0.25768686827336 0.12391477941555 15.999 > 16 57 O 0.12643500757864 0.25768686827336 0.37608522058445 15.999 > 17 58 O 0.62643500757864 0.25768686827336 0.37608522058445 15.999 > 17 59 O 0.12356499242136 0.24231313172664 0.62391477941555 15.999 > 18 60 O 0.62356499242136 0.24231313172664 0.62391477941555 15.999 > 18 61 O 0.37356499242136 0.25768686827336 0.37608522058445 15.999 > 19 62 O 0.87356499242136 0.25768686827336 0.37608522058445 15.999 > 19 63 O 0.37643500757864 0.24231313172664 0.62391477941555 15.999 > 20 64 O 0.87643500757864 0.24231313172664 0.62391477941555 15.999 > 20 65 O 0.37356499242136 0.74231313172664 0.87608522058445 15.999 > 13 66 O 0.87356499242136 0.74231313172664 0.87608522058445 15.999 > 13 67 O 0.12643500757864 0.74231313172664 0.87608522058445 15.999 > 14 68 O 0.62643500757864 0.74231313172664 0.87608522058445 15.999 > 14 69 O 0.37643500757864 0.75768686827336 0.12391477941555 15.999 > 15 70 O 0.87643500757864 0.75768686827336 0.12391477941555 15.999 > 15 71 O 0.12356499242136 0.75768686827336 0.12391477941555 15.999 > 16 72 O 0.62356499242136 0.75768686827336 0.12391477941555 15.999 > 16 73 O 0.37643500757864 0.75768686827336 0.37608522058445 15.999 > 17 74 O 0.87643500757864 0.75768686827336 0.37608522058445 15.999 > 17 75 O 0.37356499242136 0.74231313172664 0.62391477941555 15.999 > 18 76 O 0.87356499242136 0.74231313172664 0.62391477941555 15.999 > 18 77 O 0.12356499242136 0.75768686827336 0.37608522058445 15.999 > 19 78 O 0.62356499242136 0.75768686827336 0.37608522058445 15.999 > 19 79 O 0.12643500757864 0.74231313172664 0.62391477941555 15.999 > 20 80 O 0.62643500757864 0.74231313172664 0.62391477941555 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2235226 0.0000000 0.0000000 0.0000000 5.3594815 0.0000000 0.0000000 0.0000000 6.2468509 -------------------------- Born effective charges -------------------------- 1 Li 1.3254500 0.0000000 0.0000000 0.0000000 0.9761533 0.0000000 0.0000000 -0.0000000 1.3499034 2 Li 1.3254500 0.0000000 0.0000000 0.0000000 0.9761533 0.0000000 0.0000000 -0.0000000 1.3499034 3 Bi 4.4931413 0.0000000 0.0000000 0.0000000 3.3133087 0.0000000 0.0000000 -0.0000000 6.1815150 4 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 0.4375836 0.0000000 -0.0165030 4.0994714 5 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 0.4375836 0.0000000 -0.0165030 4.0994714 6 Bi 4.4931413 0.0000000 0.0000000 0.0000000 3.3133087 0.0000000 0.0000000 -0.0000000 6.1815150 7 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 -0.4375836 0.0000000 0.0165030 4.0994714 8 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 -0.4375836 0.0000000 0.0165030 4.0994714 9 Br -1.6294268 0.0000000 0.0000000 0.0000000 -1.8051911 0.0000000 0.0000000 -0.0000000 -2.1566389 10 Br -2.2036391 0.0000000 0.0000000 0.0000000 -1.7519869 0.6194295 0.0000000 0.5452887 -1.6005895 11 Br -1.6294268 0.0000000 0.0000000 0.0000000 -1.8051911 0.0000000 0.0000000 -0.0000000 -2.1566389 12 Br -2.2036391 0.0000000 0.0000000 0.0000000 -1.7519869 -0.6194295 0.0000000 -0.5452887 -1.6005895 13 O -3.0396329 0.7364925 -0.8506277 0.4626026 -2.1759811 -0.6247917 -0.6691240 -0.8114625 -2.9932832 14 O -3.0396329 -0.7364925 0.8506277 -0.4626026 -2.1759811 -0.6247917 0.6691240 -0.8114625 -2.9932832 15 O -3.0396329 0.7364925 -0.8506277 0.4626026 -2.1759811 -0.6247917 -0.6691240 -0.8114625 -2.9932832 16 O -3.0396329 -0.7364925 0.8506277 -0.4626026 -2.1759811 -0.6247917 0.6691240 -0.8114625 -2.9932832 17 O -3.0396329 0.7364925 0.8506277 0.4626026 -2.1759811 0.6247917 0.6691240 0.8114625 -2.9932832 18 O -3.0396329 0.7364925 0.8506277 0.4626026 -2.1759811 0.6247917 0.6691240 0.8114625 -2.9932832 19 O -3.0396329 -0.7364925 -0.8506277 -0.4626026 -2.1759811 0.6247917 -0.6691240 0.8114625 -2.9932832 20 O -3.0396329 -0.7364925 -0.8506277 -0.4626026 -2.1759811 0.6247917 -0.6691240 0.8114625 -2.9932832 ---------------------------------------------------------------------------- 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: 8340/8340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1027 Number of blocks in projector: 1027 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 154 Use standard eigh solver. Tree of FC basis block matrices: - (1027, 999), data: False |-- (154, 152), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (172, 170), data: True |-- (212, 206), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.771 Solver_block: 200 / 320 - Time: 0.781 Solver_block: 300 / 320 - Time: 0.777 Solver_block: 320 / 320 - Time: 0.198 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.550 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 8340/8340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1027 Number of blocks in projector: 1027 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 154 Use standard eigh solver. Tree of FC basis block matrices: - (1027, 999), data: False |-- (154, 152), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (172, 170), data: True |-- (212, 206), 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 2026-01-09 00:47:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:47:32]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.742546765000000 -6.244449220000000 0.000000000000000 b 2.742546765000000 6.244449220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.934914170000001 Atomic positions (fractional): 1 Li 0.21317321696198 0.78682678303802 0.75000000000000 6.941 2 Li 0.78682678303802 0.21317321696198 0.25000000000000 6.941 3 Bi 0.85216717426302 0.14783282573698 0.75000000000000 208.980 4 Bi 0.34151891387432 0.65848108612568 0.00695376339320 208.980 5 Bi 0.65848108612568 0.34151891387432 0.99304623660680 208.980 6 Bi 0.14783282573698 0.85216717426302 0.25000000000000 208.980 7 Bi 0.34151891387432 0.65848108612568 0.49304623660680 208.980 8 Bi 0.65848108612568 0.34151891387432 0.50695376339320 208.980 9 Br 0.49494442001591 0.50505557998409 0.75000000000000 79.904 10 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 11 Br 0.50505557998409 0.49494442001591 0.25000000000000 79.904 12 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 13 O 0.00481685311609 0.48944311656937 0.87608522058445 15.999 14 O 0.51055688343064 0.99518314688391 0.87608522058445 15.999 15 O 0.99518314688391 0.51055688343063 0.12391477941555 15.999 16 O 0.48944311656936 0.00481685311609 0.12391477941555 15.999 17 O 0.99518314688391 0.51055688343063 0.37608522058445 15.999 18 O 0.00481685311609 0.48944311656937 0.62391477941555 15.999 19 O 0.48944311656936 0.00481685311609 0.37608522058445 15.999 20 O 0.51055688343064 0.99518314688391 0.62391477941555 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.970187060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488898440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.934914170000001 Atomic positions (fractional): 1 Li 0.25000000000000 0.28682678303802 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28682678303802 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21317321696198 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.21317321696198 0.25000000000000 6.941 > 3 5 Li 0.00000000000000 0.78682678303802 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78682678303802 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71317321696198 0.25000000000000 6.941 > 3 8 Li 0.75000000000000 0.71317321696198 0.25000000000000 6.941 > 3 9 Bi 0.00000000000000 0.14783282573698 0.75000000000000 208.980 > 9 10 Bi 0.50000000000000 0.14783282573698 0.75000000000000 208.980 > 9 11 Bi 0.25000000000000 0.15848108612568 0.00695376339320 208.980 > 11 12 Bi 0.75000000000000 0.15848108612568 0.00695376339320 208.980 > 11 13 Bi 0.00000000000000 0.34151891387432 0.99304623660680 208.980 > 13 14 Bi 0.50000000000000 0.34151891387432 0.99304623660680 208.980 > 13 15 Bi 0.25000000000000 0.35216717426302 0.25000000000000 208.980 > 15 16 Bi 0.75000000000000 0.35216717426302 0.25000000000000 208.980 > 15 17 Bi 0.25000000000000 0.15848108612568 0.49304623660680 208.980 > 17 18 Bi 0.75000000000000 0.15848108612568 0.49304623660680 208.980 > 17 19 Bi 0.00000000000000 0.34151891387432 0.50695376339320 208.980 > 19 20 Bi 0.50000000000000 0.34151891387432 0.50695376339320 208.980 > 19 21 Bi 0.25000000000000 0.64783282573698 0.75000000000000 208.980 > 9 22 Bi 0.75000000000000 0.64783282573698 0.75000000000000 208.980 > 9 23 Bi 0.00000000000000 0.65848108612568 0.00695376339320 208.980 > 11 24 Bi 0.50000000000000 0.65848108612568 0.00695376339320 208.980 > 11 25 Bi 0.25000000000000 0.84151891387432 0.99304623660680 208.980 > 13 26 Bi 0.75000000000000 0.84151891387432 0.99304623660680 208.980 > 13 27 Bi 0.00000000000000 0.85216717426302 0.25000000000000 208.980 > 15 28 Bi 0.50000000000000 0.85216717426302 0.25000000000000 208.980 > 15 29 Bi 0.00000000000000 0.65848108612568 0.49304623660680 208.980 > 17 30 Bi 0.50000000000000 0.65848108612568 0.49304623660680 208.980 > 17 31 Bi 0.25000000000000 0.84151891387432 0.50695376339320 208.980 > 19 32 Bi 0.75000000000000 0.84151891387432 0.50695376339320 208.980 > 19 33 Br 0.25000000000000 0.00505557998409 0.75000000000000 79.904 > 33 34 Br 0.75000000000000 0.00505557998409 0.75000000000000 79.904 > 33 35 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 35 36 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 35 37 Br 0.00000000000000 0.49494442001591 0.25000000000000 79.904 > 37 38 Br 0.50000000000000 0.49494442001591 0.25000000000000 79.904 > 37 39 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 39 40 Br 0.50000000000000 0.00000000000000 0.50000000000000 79.904 > 39 41 Br 0.00000000000000 0.50505557998409 0.75000000000000 79.904 > 33 42 Br 0.50000000000000 0.50505557998409 0.75000000000000 79.904 > 33 43 Br 0.25000000000000 0.50000000000000 0.00000000000000 79.904 > 35 44 Br 0.75000000000000 0.50000000000000 0.00000000000000 79.904 > 35 45 Br 0.25000000000000 0.99494442001591 0.25000000000000 79.904 > 37 46 Br 0.75000000000000 0.99494442001591 0.25000000000000 79.904 > 37 47 Br 0.25000000000000 0.50000000000000 0.50000000000000 79.904 > 39 48 Br 0.75000000000000 0.50000000000000 0.50000000000000 79.904 > 39 49 O 0.12356499242136 0.24231313172664 0.87608522058445 15.999 > 49 50 O 0.62356499242136 0.24231313172664 0.87608522058445 15.999 > 49 51 O 0.37643500757864 0.24231313172664 0.87608522058445 15.999 > 51 52 O 0.87643500757864 0.24231313172664 0.87608522058445 15.999 > 51 53 O 0.12643500757864 0.25768686827336 0.12391477941555 15.999 > 53 54 O 0.62643500757864 0.25768686827336 0.12391477941555 15.999 > 53 55 O 0.37356499242136 0.25768686827336 0.12391477941555 15.999 > 55 56 O 0.87356499242136 0.25768686827336 0.12391477941555 15.999 > 55 57 O 0.12643500757864 0.25768686827336 0.37608522058445 15.999 > 57 58 O 0.62643500757864 0.25768686827336 0.37608522058445 15.999 > 57 59 O 0.12356499242136 0.24231313172664 0.62391477941555 15.999 > 59 60 O 0.62356499242136 0.24231313172664 0.62391477941555 15.999 > 59 61 O 0.37356499242136 0.25768686827336 0.37608522058445 15.999 > 61 62 O 0.87356499242136 0.25768686827336 0.37608522058445 15.999 > 61 63 O 0.37643500757864 0.24231313172664 0.62391477941555 15.999 > 63 64 O 0.87643500757864 0.24231313172664 0.62391477941555 15.999 > 63 65 O 0.37356499242136 0.74231313172664 0.87608522058445 15.999 > 49 66 O 0.87356499242136 0.74231313172664 0.87608522058445 15.999 > 49 67 O 0.12643500757864 0.74231313172664 0.87608522058445 15.999 > 51 68 O 0.62643500757864 0.74231313172664 0.87608522058445 15.999 > 51 69 O 0.37643500757864 0.75768686827336 0.12391477941555 15.999 > 53 70 O 0.87643500757864 0.75768686827336 0.12391477941555 15.999 > 53 71 O 0.12356499242136 0.75768686827336 0.12391477941555 15.999 > 55 72 O 0.62356499242136 0.75768686827336 0.12391477941555 15.999 > 55 73 O 0.37643500757864 0.75768686827336 0.37608522058445 15.999 > 57 74 O 0.87643500757864 0.75768686827336 0.37608522058445 15.999 > 57 75 O 0.37356499242136 0.74231313172664 0.62391477941555 15.999 > 59 76 O 0.87356499242136 0.74231313172664 0.62391477941555 15.999 > 59 77 O 0.12356499242136 0.75768686827336 0.37608522058445 15.999 > 61 78 O 0.62356499242136 0.75768686827336 0.37608522058445 15.999 > 61 79 O 0.12643500757864 0.74231313172664 0.62391477941555 15.999 > 63 80 O 0.62643500757864 0.74231313172664 0.62391477941555 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2235226 0.0000000 0.0000000 0.0000000 5.3594815 0.0000000 0.0000000 0.0000000 6.2468509 -------------------------- Born effective charges -------------------------- 1 Li 1.3254500 0.0000000 0.0000000 0.0000000 0.9761533 0.0000000 0.0000000 -0.0000000 1.3499034 2 Li 1.3254500 0.0000000 0.0000000 0.0000000 0.9761533 0.0000000 0.0000000 -0.0000000 1.3499034 3 Bi 4.4931413 0.0000000 0.0000000 0.0000000 3.3133087 0.0000000 0.0000000 -0.0000000 6.1815150 4 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 0.4375836 0.0000000 -0.0165030 4.0994714 5 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 0.4375836 0.0000000 -0.0165030 4.0994714 6 Bi 4.4931413 0.0000000 0.0000000 0.0000000 3.3133087 0.0000000 0.0000000 -0.0000000 6.1815150 7 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 -0.4375836 0.0000000 0.0165030 4.0994714 8 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 -0.4375836 0.0000000 0.0165030 4.0994714 9 Br -1.6294268 0.0000000 0.0000000 0.0000000 -1.8051911 0.0000000 0.0000000 -0.0000000 -2.1566389 10 Br -2.2036391 0.0000000 0.0000000 0.0000000 -1.7519869 0.6194295 0.0000000 0.5452887 -1.6005895 11 Br -1.6294268 0.0000000 0.0000000 0.0000000 -1.8051911 0.0000000 0.0000000 -0.0000000 -2.1566389 12 Br -2.2036391 0.0000000 0.0000000 0.0000000 -1.7519869 -0.6194295 0.0000000 -0.5452887 -1.6005895 13 O -3.0396329 0.7364925 -0.8506277 0.4626026 -2.1759811 -0.6247917 -0.6691240 -0.8114625 -2.9932832 14 O -3.0396329 -0.7364925 0.8506277 -0.4626026 -2.1759811 -0.6247917 0.6691240 -0.8114625 -2.9932832 15 O -3.0396329 0.7364925 -0.8506277 0.4626026 -2.1759811 -0.6247917 -0.6691240 -0.8114625 -2.9932832 16 O -3.0396329 -0.7364925 0.8506277 -0.4626026 -2.1759811 -0.6247917 0.6691240 -0.8114625 -2.9932832 17 O -3.0396329 0.7364925 0.8506277 0.4626026 -2.1759811 0.6247917 0.6691240 0.8114625 -2.9932832 18 O -3.0396329 0.7364925 0.8506277 0.4626026 -2.1759811 0.6247917 0.6691240 0.8114625 -2.9932832 19 O -3.0396329 -0.7364925 -0.8506277 -0.4626026 -2.1759811 0.6247917 -0.6691240 0.8114625 -2.9932832 20 O -3.0396329 -0.7364925 -0.8506277 -0.4626026 -2.1759811 0.6247917 -0.6691240 0.8114625 -2.9932832 ---------------------------------------------------------------------------- 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[ 9, 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[ 11, 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[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:47:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:47:43]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.742546765000000 -6.244449220000000 0.000000000000000 b 2.742546765000000 6.244449220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.934914170000001 Atomic positions (fractional): 1 Li 0.21317321696198 0.78682678303802 0.75000000000000 6.941 2 Li 0.78682678303802 0.21317321696198 0.25000000000000 6.941 3 Bi 0.85216717426302 0.14783282573698 0.75000000000000 208.980 4 Bi 0.34151891387432 0.65848108612568 0.00695376339320 208.980 5 Bi 0.65848108612568 0.34151891387432 0.99304623660680 208.980 6 Bi 0.14783282573698 0.85216717426302 0.25000000000000 208.980 7 Bi 0.34151891387432 0.65848108612568 0.49304623660680 208.980 8 Bi 0.65848108612568 0.34151891387432 0.50695376339320 208.980 9 Br 0.49494442001591 0.50505557998409 0.75000000000000 79.904 10 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 11 Br 0.50505557998409 0.49494442001591 0.25000000000000 79.904 12 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 13 O 0.00481685311609 0.48944311656937 0.87608522058445 15.999 14 O 0.51055688343064 0.99518314688391 0.87608522058445 15.999 15 O 0.99518314688391 0.51055688343063 0.12391477941555 15.999 16 O 0.48944311656936 0.00481685311609 0.12391477941555 15.999 17 O 0.99518314688391 0.51055688343063 0.37608522058445 15.999 18 O 0.00481685311609 0.48944311656937 0.62391477941555 15.999 19 O 0.48944311656936 0.00481685311609 0.37608522058445 15.999 20 O 0.51055688343064 0.99518314688391 0.62391477941555 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.970187060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488898440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.934914170000001 Atomic positions (fractional): 1 Li 0.25000000000000 0.28682678303802 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28682678303802 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21317321696198 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.21317321696198 0.25000000000000 6.941 > 3 5 Li 0.00000000000000 0.78682678303802 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78682678303802 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71317321696198 0.25000000000000 6.941 > 3 8 Li 0.75000000000000 0.71317321696198 0.25000000000000 6.941 > 3 9 Bi 0.00000000000000 0.14783282573698 0.75000000000000 208.980 > 9 10 Bi 0.50000000000000 0.14783282573698 0.75000000000000 208.980 > 9 11 Bi 0.25000000000000 0.15848108612568 0.00695376339320 208.980 > 11 12 Bi 0.75000000000000 0.15848108612568 0.00695376339320 208.980 > 11 13 Bi 0.00000000000000 0.34151891387432 0.99304623660680 208.980 > 13 14 Bi 0.50000000000000 0.34151891387432 0.99304623660680 208.980 > 13 15 Bi 0.25000000000000 0.35216717426302 0.25000000000000 208.980 > 15 16 Bi 0.75000000000000 0.35216717426302 0.25000000000000 208.980 > 15 17 Bi 0.25000000000000 0.15848108612568 0.49304623660680 208.980 > 17 18 Bi 0.75000000000000 0.15848108612568 0.49304623660680 208.980 > 17 19 Bi 0.00000000000000 0.34151891387432 0.50695376339320 208.980 > 19 20 Bi 0.50000000000000 0.34151891387432 0.50695376339320 208.980 > 19 21 Bi 0.25000000000000 0.64783282573698 0.75000000000000 208.980 > 9 22 Bi 0.75000000000000 0.64783282573698 0.75000000000000 208.980 > 9 23 Bi 0.00000000000000 0.65848108612568 0.00695376339320 208.980 > 11 24 Bi 0.50000000000000 0.65848108612568 0.00695376339320 208.980 > 11 25 Bi 0.25000000000000 0.84151891387432 0.99304623660680 208.980 > 13 26 Bi 0.75000000000000 0.84151891387432 0.99304623660680 208.980 > 13 27 Bi 0.00000000000000 0.85216717426302 0.25000000000000 208.980 > 15 28 Bi 0.50000000000000 0.85216717426302 0.25000000000000 208.980 > 15 29 Bi 0.00000000000000 0.65848108612568 0.49304623660680 208.980 > 17 30 Bi 0.50000000000000 0.65848108612568 0.49304623660680 208.980 > 17 31 Bi 0.25000000000000 0.84151891387432 0.50695376339320 208.980 > 19 32 Bi 0.75000000000000 0.84151891387432 0.50695376339320 208.980 > 19 33 Br 0.25000000000000 0.00505557998409 0.75000000000000 79.904 > 33 34 Br 0.75000000000000 0.00505557998409 0.75000000000000 79.904 > 33 35 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 35 36 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 35 37 Br 0.00000000000000 0.49494442001591 0.25000000000000 79.904 > 37 38 Br 0.50000000000000 0.49494442001591 0.25000000000000 79.904 > 37 39 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 39 40 Br 0.50000000000000 0.00000000000000 0.50000000000000 79.904 > 39 41 Br 0.00000000000000 0.50505557998409 0.75000000000000 79.904 > 33 42 Br 0.50000000000000 0.50505557998409 0.75000000000000 79.904 > 33 43 Br 0.25000000000000 0.50000000000000 0.00000000000000 79.904 > 35 44 Br 0.75000000000000 0.50000000000000 0.00000000000000 79.904 > 35 45 Br 0.25000000000000 0.99494442001591 0.25000000000000 79.904 > 37 46 Br 0.75000000000000 0.99494442001591 0.25000000000000 79.904 > 37 47 Br 0.25000000000000 0.50000000000000 0.50000000000000 79.904 > 39 48 Br 0.75000000000000 0.50000000000000 0.50000000000000 79.904 > 39 49 O 0.12356499242136 0.24231313172664 0.87608522058445 15.999 > 49 50 O 0.62356499242136 0.24231313172664 0.87608522058445 15.999 > 49 51 O 0.37643500757864 0.24231313172664 0.87608522058445 15.999 > 51 52 O 0.87643500757864 0.24231313172664 0.87608522058445 15.999 > 51 53 O 0.12643500757864 0.25768686827336 0.12391477941555 15.999 > 53 54 O 0.62643500757864 0.25768686827336 0.12391477941555 15.999 > 53 55 O 0.37356499242136 0.25768686827336 0.12391477941555 15.999 > 55 56 O 0.87356499242136 0.25768686827336 0.12391477941555 15.999 > 55 57 O 0.12643500757864 0.25768686827336 0.37608522058445 15.999 > 57 58 O 0.62643500757864 0.25768686827336 0.37608522058445 15.999 > 57 59 O 0.12356499242136 0.24231313172664 0.62391477941555 15.999 > 59 60 O 0.62356499242136 0.24231313172664 0.62391477941555 15.999 > 59 61 O 0.37356499242136 0.25768686827336 0.37608522058445 15.999 > 61 62 O 0.87356499242136 0.25768686827336 0.37608522058445 15.999 > 61 63 O 0.37643500757864 0.24231313172664 0.62391477941555 15.999 > 63 64 O 0.87643500757864 0.24231313172664 0.62391477941555 15.999 > 63 65 O 0.37356499242136 0.74231313172664 0.87608522058445 15.999 > 49 66 O 0.87356499242136 0.74231313172664 0.87608522058445 15.999 > 49 67 O 0.12643500757864 0.74231313172664 0.87608522058445 15.999 > 51 68 O 0.62643500757864 0.74231313172664 0.87608522058445 15.999 > 51 69 O 0.37643500757864 0.75768686827336 0.12391477941555 15.999 > 53 70 O 0.87643500757864 0.75768686827336 0.12391477941555 15.999 > 53 71 O 0.12356499242136 0.75768686827336 0.12391477941555 15.999 > 55 72 O 0.62356499242136 0.75768686827336 0.12391477941555 15.999 > 55 73 O 0.37643500757864 0.75768686827336 0.37608522058445 15.999 > 57 74 O 0.87643500757864 0.75768686827336 0.37608522058445 15.999 > 57 75 O 0.37356499242136 0.74231313172664 0.62391477941555 15.999 > 59 76 O 0.87356499242136 0.74231313172664 0.62391477941555 15.999 > 59 77 O 0.12356499242136 0.75768686827336 0.37608522058445 15.999 > 61 78 O 0.62356499242136 0.75768686827336 0.37608522058445 15.999 > 61 79 O 0.12643500757864 0.74231313172664 0.62391477941555 15.999 > 63 80 O 0.62643500757864 0.74231313172664 0.62391477941555 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2235226 0.0000000 0.0000000 0.0000000 5.3594815 0.0000000 0.0000000 0.0000000 6.2468509 -------------------------- Born effective charges -------------------------- 1 Li 1.3254500 0.0000000 0.0000000 0.0000000 0.9761533 0.0000000 0.0000000 -0.0000000 1.3499034 2 Li 1.3254500 0.0000000 0.0000000 0.0000000 0.9761533 0.0000000 0.0000000 -0.0000000 1.3499034 3 Bi 4.4931413 0.0000000 0.0000000 0.0000000 3.3133087 0.0000000 0.0000000 -0.0000000 6.1815150 4 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 0.4375836 0.0000000 -0.0165030 4.0994714 5 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 0.4375836 0.0000000 -0.0165030 4.0994714 6 Bi 4.4931413 0.0000000 0.0000000 0.0000000 3.3133087 0.0000000 0.0000000 -0.0000000 6.1815150 7 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 -0.4375836 0.0000000 0.0165030 4.0994714 8 Bi 5.0865031 0.0000000 0.0000000 0.0000000 3.9858201 -0.4375836 0.0000000 0.0165030 4.0994714 9 Br -1.6294268 0.0000000 0.0000000 0.0000000 -1.8051911 0.0000000 0.0000000 -0.0000000 -2.1566389 10 Br -2.2036391 0.0000000 0.0000000 0.0000000 -1.7519869 0.6194295 0.0000000 0.5452887 -1.6005895 11 Br -1.6294268 0.0000000 0.0000000 0.0000000 -1.8051911 0.0000000 0.0000000 -0.0000000 -2.1566389 12 Br -2.2036391 0.0000000 0.0000000 0.0000000 -1.7519869 -0.6194295 0.0000000 -0.5452887 -1.6005895 13 O -3.0396329 0.7364925 -0.8506277 0.4626026 -2.1759811 -0.6247917 -0.6691240 -0.8114625 -2.9932832 14 O -3.0396329 -0.7364925 0.8506277 -0.4626026 -2.1759811 -0.6247917 0.6691240 -0.8114625 -2.9932832 15 O -3.0396329 0.7364925 -0.8506277 0.4626026 -2.1759811 -0.6247917 -0.6691240 -0.8114625 -2.9932832 16 O -3.0396329 -0.7364925 0.8506277 -0.4626026 -2.1759811 -0.6247917 0.6691240 -0.8114625 -2.9932832 17 O -3.0396329 0.7364925 0.8506277 0.4626026 -2.1759811 0.6247917 0.6691240 0.8114625 -2.9932832 18 O -3.0396329 0.7364925 0.8506277 0.4626026 -2.1759811 0.6247917 0.6691240 0.8114625 -2.9932832 19 O -3.0396329 -0.7364925 -0.8506277 -0.4626026 -2.1759811 0.6247917 -0.6691240 0.8114625 -2.9932832 20 O -3.0396329 -0.7364925 -0.8506277 -0.4626026 -2.1759811 0.6247917 -0.6691240 0.8114625 -2.9932832 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) 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 ... [ 10 10 5 ] 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: 0.58, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 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 1.087 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 10.550 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.094 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 11.432 ( 0.000 0.000 0.000) 0.000 11.449 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.887 ( 0.000 0.000 0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 16.193 ( 0.000 0.000 0.000) 0.000 16.511 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 13.009 -8.257 0.000) 15.408 0.326 ( 14.887 -6.383 0.000) 16.198 0.778 ( 38.885 -3.773 0.000) 39.068 1.133 ( 3.873 -2.013 0.000) 4.365 1.518 ( 11.054 -0.532 0.000) 11.067 1.641 ( 1.565 2.404 0.000) 2.869 1.692 ( 1.556 -1.688 0.000) 2.296 1.804 ( 6.660 -1.139 0.000) 6.756 1.817 ( 1.023 0.148 0.000) 1.034 2.288 ( 1.918 5.549 0.000) 5.871 2.350 ( -0.159 -1.117 0.000) 1.128 2.410 ( -3.276 0.930 0.000) 3.405 2.469 ( -0.418 4.156 0.000) 4.177 2.519 ( 0.326 -0.417 0.000) 0.529 2.554 ( -2.769 -0.105 0.000) 2.771 2.587 ( -2.647 -5.540 0.000) 6.140 2.719 ( 2.166 3.537 0.000) 4.148 2.767 ( 3.660 0.418 0.000) 3.684 2.787 ( -2.630 -1.412 0.000) 2.985 2.969 ( -1.171 0.273 0.000) 1.202 2.990 ( -0.279 6.446 0.000) 6.452 3.082 ( -4.452 -5.924 0.000) 7.411 3.133 ( -5.604 -9.551 0.000) 11.074 3.307 ( -5.215 3.525 0.000) 6.295 3.687 ( 3.045 -0.749 0.000) 3.136 3.781 ( -15.078 -0.210 0.000) 15.079 4.114 ( -0.525 -0.281 0.000) 0.596 4.332 ( 12.085 -2.038 0.000) 12.256 4.451 ( 1.828 0.582 0.000) 1.919 4.486 ( -1.565 0.168 0.000) 1.574 7.269 ( 8.979 -0.142 0.000) 8.980 7.714 ( 15.059 0.037 0.000) 15.059 8.173 ( -5.654 0.085 0.000) 5.655 8.220 ( 15.386 0.135 0.000) 15.387 8.383 ( 2.595 -0.307 0.000) 2.613 8.449 ( -4.683 0.319 0.000) 4.694 8.646 ( 19.853 2.127 0.000) 19.966 9.336 ( -5.311 -0.703 0.000) 5.357 9.460 ( 36.244 -0.503 0.000) 36.248 10.453 ( 5.458 9.614 0.000) 11.055 10.607 ( 5.763 -0.067 0.000) 5.763 10.785 ( 3.019 0.169 0.000) 3.024 10.945 ( 3.866 -0.372 0.000) 3.884 10.946 ( -8.604 -1.154 0.000) 8.681 11.070 ( 0.758 -0.033 0.000) 0.759 11.427 ( -1.211 -0.282 0.000) 1.243 11.442 ( 14.517 -0.230 0.000) 14.519 12.028 ( 5.449 0.702 0.000) 5.494 12.096 ( 1.213 0.299 0.000) 1.249 12.186 ( 0.588 8.652 0.000) 8.672 13.441 ( 2.046 0.201 0.000) 2.056 13.951 ( -5.389 0.290 0.000) 5.397 14.178 ( 4.973 11.956 0.000) 12.949 14.354 ( 23.483 57.836 0.000) 62.422 14.492 ( 17.727 36.008 0.000) 40.135 15.647 ( -13.207 -17.935 0.000) 22.273 15.828 ( -5.838 2.123 0.000) 6.212 16.070 ( -11.985 1.775 0.000) 12.115 16.311 ( -24.652 -43.340 0.000) 49.861 16.473 ( -3.834 0.763 0.000) 3.909 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 12.728 -6.727 0.000) 14.396 0.642 ( 14.459 -5.522 0.000) 15.478 1.250 ( 6.738 -2.570 0.000) 7.211 1.441 ( 30.072 -2.488 0.000) 30.175 1.649 ( 0.406 1.583 0.000) 1.634 1.704 ( 0.466 -0.766 0.000) 0.897 1.740 ( 11.150 0.436 0.000) 11.158 1.839 ( 1.659 0.497 0.000) 1.731 1.989 ( 9.811 -1.867 0.000) 9.987 2.276 ( 0.665 3.065 0.000) 3.136 2.320 ( -4.960 1.524 0.000) 5.189 2.352 ( -0.907 -1.147 0.000) 1.463 2.418 ( -1.913 3.241 0.000) 3.764 2.503 ( -2.394 0.016 0.000) 2.394 2.534 ( 0.734 -0.563 0.000) 0.925 2.577 ( -2.612 -4.411 0.000) 5.126 2.724 ( -1.770 -0.238 0.000) 1.786 2.733 ( -1.025 3.178 0.000) 3.339 2.833 ( 3.607 0.977 0.000) 3.737 2.925 ( -1.872 3.260 0.000) 3.759 2.934 ( -2.212 0.711 0.000) 2.324 3.033 ( -5.253 -2.690 0.000) 5.901 3.113 ( -0.014 -0.645 0.000) 0.645 3.135 ( -9.236 5.216 0.000) 10.607 3.503 ( -15.189 0.092 0.000) 15.189 3.753 ( 2.223 -1.630 0.000) 2.756 4.118 ( 1.017 -0.695 0.000) 1.232 4.451 ( -1.741 0.448 0.000) 1.798 4.493 ( 4.312 1.303 0.000) 4.505 4.560 ( 9.098 -4.385 0.000) 10.099 7.498 ( 15.315 -0.302 0.000) 15.318 8.049 ( 18.993 -0.132 0.000) 18.994 8.104 ( -1.923 0.058 0.000) 1.923 8.324 ( -0.577 -0.021 0.000) 0.577 8.387 ( -1.236 0.464 0.000) 1.321 8.727 ( 29.819 -0.499 0.000) 29.823 9.057 ( 26.567 2.267 0.000) 26.663 9.227 ( -6.565 -1.450 0.000) 6.723 10.297 ( 50.715 -0.317 0.000) 50.716 10.489 ( 3.398 1.471 0.000) 3.702 10.735 ( 7.600 -0.155 0.000) 7.602 10.841 ( -2.189 -1.578 0.000) 2.698 10.897 ( 8.874 -0.881 0.000) 8.918 11.034 ( 5.069 -0.025 0.000) 5.069 11.088 ( 1.063 -0.204 0.000) 1.082 11.369 ( -4.269 -0.337 0.000) 4.282 11.739 ( 16.611 0.400 0.000) 16.616 12.055 ( -9.796 -3.902 0.000) 10.544 12.159 ( 3.188 -0.300 0.000) 3.202 12.171 ( 9.787 -0.208 0.000) 9.789 13.491 ( 3.679 0.649 0.000) 3.736 13.805 ( -10.237 0.303 0.000) 10.241 14.131 ( 1.356 16.055 0.000) 16.112 14.263 ( -6.801 1.381 0.000) 6.940 14.605 ( 24.742 33.629 0.000) 41.750 15.530 ( -8.115 -3.676 0.000) 8.909 15.612 ( -14.618 7.053 0.000) 16.231 15.780 ( -17.839 -0.922 0.000) 17.863 16.167 ( -17.784 -18.170 0.000) 25.424 16.359 ( -7.563 1.585 0.000) 7.728 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 12.873 -5.297 0.000) 13.920 0.940 ( 13.868 -4.193 0.000) 14.488 1.412 ( 8.300 -3.031 0.000) 8.836 1.620 ( -2.173 -0.335 0.000) 2.199 1.722 ( 1.076 1.611 0.000) 1.937 1.841 ( -0.798 2.042 0.000) 2.192 1.869 ( 2.282 0.840 0.000) 2.431 1.900 ( 17.210 -1.250 0.000) 17.256 2.143 ( 4.973 -1.711 0.000) 5.259 2.245 ( -0.276 2.850 0.000) 2.863 2.276 ( 1.704 1.040 0.000) 1.997 2.322 ( -2.136 0.313 0.000) 2.158 2.370 ( -1.375 -0.018 0.000) 1.375 2.468 ( -1.410 0.052 0.000) 1.411 2.557 ( 1.173 -0.339 0.000) 1.221 2.568 ( -1.820 -2.689 0.000) 3.247 2.642 ( -3.097 3.630 0.000) 4.772 2.720 ( -1.480 -1.010 0.000) 1.792 2.824 ( -5.143 4.385 0.000) 6.758 2.879 ( -2.182 1.286 0.000) 2.532 2.893 ( -1.414 0.289 0.000) 1.443 2.941 ( -4.959 -0.838 0.000) 5.030 2.951 ( -3.967 1.647 0.000) 4.295 3.162 ( 6.947 4.270 0.000) 8.155 3.237 ( -13.554 0.357 0.000) 13.558 3.763 ( -2.987 -1.805 0.000) 3.490 4.173 ( 3.697 -1.871 0.000) 4.143 4.418 ( -1.246 0.929 0.000) 1.554 4.568 ( 5.100 2.199 0.000) 5.554 4.740 ( 5.964 -5.766 0.000) 8.295 7.796 ( 15.975 0.172 0.000) 15.976 8.097 ( 1.040 -0.079 0.000) 1.043 8.302 ( -1.623 -0.158 0.000) 1.630 8.306 ( 6.970 -0.732 0.000) 7.008 8.417 ( 5.456 0.121 0.000) 5.457 9.147 ( -3.698 -1.778 0.000) 4.103 9.311 ( 31.325 -1.132 0.000) 31.345 9.550 ( 28.260 2.122 0.000) 28.339 10.552 ( 3.861 -0.758 0.000) 3.935 10.810 ( 7.168 0.922 0.000) 7.228 10.863 ( 3.717 -2.059 0.000) 4.250 10.964 ( 11.812 -0.192 0.000) 11.814 11.095 ( 0.651 0.051 0.000) 0.653 11.127 ( 3.684 0.120 0.000) 3.686 11.283 ( -5.304 -0.514 0.000) 5.329 11.463 ( 52.385 -1.319 0.000) 52.401 11.838 ( -18.252 -7.017 0.000) 19.554 12.037 ( 16.785 0.752 0.000) 16.802 12.263 ( 7.769 -0.628 0.000) 7.795 12.388 ( 12.930 -0.418 0.000) 12.937 13.552 ( 0.459 1.153 0.000) 1.241 13.592 ( -9.383 -0.187 0.000) 9.385 13.962 ( -8.795 7.746 0.000) 11.720 14.100 ( -10.362 0.803 0.000) 10.393 14.827 ( 23.037 21.075 0.000) 31.222 15.218 ( -20.419 6.675 0.000) 21.483 15.437 ( -21.201 -0.448 0.000) 21.206 15.448 ( -1.200 1.203 0.000) 1.699 15.966 ( -16.269 -10.071 0.000) 19.134 16.177 ( -10.643 2.061 0.000) 10.841 ======================= Grid point 4 (5/93) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 12.997 -4.187 0.000) 13.654 1.213 ( 13.060 -2.632 0.000) 13.323 1.579 ( -2.911 0.139 0.000) 2.914 1.579 ( 5.892 -2.691 0.000) 6.478 1.661 ( -6.023 1.952 0.000) 6.331 1.711 ( -9.153 1.606 0.000) 9.293 1.916 ( 3.943 -0.161 0.000) 3.946 2.103 ( 7.100 0.542 0.000) 7.121 2.209 ( -2.648 6.306 0.000) 6.840 2.214 ( 2.178 -0.417 0.000) 2.217 2.289 ( -1.819 -1.737 0.000) 2.515 2.345 ( -2.377 -0.437 0.000) 2.417 2.369 ( 7.971 -0.013 0.000) 7.971 2.447 ( -0.880 -0.049 0.000) 0.881 2.527 ( -2.928 0.113 0.000) 2.930 2.570 ( 0.478 0.600 0.000) 0.767 2.598 ( -0.123 0.666 0.000) 0.678 2.680 ( -4.341 -0.408 0.000) 4.360 2.712 ( -1.256 0.401 0.000) 1.318 2.796 ( -3.565 1.362 0.000) 3.816 2.841 ( -2.874 -0.001 0.000) 2.874 2.910 ( -0.356 -0.575 0.000) 0.676 2.937 ( -0.827 1.324 0.000) 1.561 3.024 ( -8.200 -0.228 0.000) 8.203 3.283 ( 9.412 4.574 0.000) 10.465 3.686 ( -6.266 -1.733 0.000) 6.501 4.260 ( 3.295 -2.560 0.000) 4.172 4.389 ( -0.944 1.527 0.000) 1.795 4.631 ( 3.332 1.734 0.000) 3.756 4.862 ( 2.949 -4.031 0.000) 4.995 8.037 ( 10.732 1.249 0.000) 10.805 8.131 ( 2.221 -0.040 0.000) 2.222 8.271 ( -1.785 -0.241 0.000) 1.802 8.323 ( -4.351 -1.385 0.000) 4.566 8.599 ( 13.887 -0.207 0.000) 13.889 9.070 ( -7.821 -1.592 0.000) 7.981 9.813 ( 20.956 -1.075 0.000) 20.984 9.993 ( 19.233 1.040 0.000) 19.262 10.660 ( 9.122 0.679 0.000) 9.147 10.913 ( 5.609 1.014 0.000) 5.699 10.977 ( 5.505 -1.033 0.000) 5.601 11.077 ( -3.483 -0.922 0.000) 3.603 11.117 ( 5.360 -0.201 0.000) 5.364 11.187 ( 3.330 0.739 0.000) 3.411 11.195 ( -4.113 -0.462 0.000) 4.139 11.525 ( -20.284 -5.505 0.000) 21.018 12.317 ( 23.498 0.480 0.000) 23.503 12.390 ( 31.962 -0.814 0.000) 31.972 12.448 ( 11.347 -0.860 0.000) 11.379 12.607 ( 8.934 -0.331 0.000) 8.941 13.369 ( -6.740 -0.180 0.000) 6.743 13.613 ( 0.379 0.187 0.000) 0.422 13.739 ( -8.587 3.451 0.000) 9.255 13.875 ( -13.021 0.132 0.000) 13.022 14.829 ( -16.441 2.578 0.000) 16.642 15.024 ( -21.632 1.834 0.000) 21.709 15.085 ( 20.191 14.604 0.000) 24.919 15.468 ( 1.927 -1.871 0.000) 2.686 15.760 ( -11.498 -4.935 0.000) 12.512 15.951 ( -12.035 1.388 0.000) 12.115 ======================= Grid point 5 (6/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 -0.000 0.000) 0.000 1.431 ( -0.000 0.000 0.000) 0.000 1.447 ( -0.000 -0.000 0.000) 0.000 1.499 ( 0.000 -0.000 0.000) 0.000 1.594 ( 0.000 -0.000 0.000) 0.000 1.680 ( 0.000 -0.000 0.000) 0.000 2.027 ( 0.000 -0.000 0.000) 0.000 2.065 ( -0.000 0.000 0.000) 0.000 2.198 ( 0.000 -0.000 0.000) 0.000 2.246 ( -0.000 -0.000 0.000) 0.000 2.256 ( 0.000 -0.000 0.000) 0.000 2.293 ( -0.000 -0.000 0.000) 0.000 2.440 ( 0.000 -0.000 0.000) 0.000 2.501 ( 0.000 -0.000 0.000) 0.000 2.525 ( -0.000 0.000 0.000) 0.000 2.540 ( 0.000 -0.000 0.000) 0.000 2.579 ( 0.000 -0.000 0.000) 0.000 2.620 ( 0.000 -0.000 0.000) 0.000 2.728 ( -0.000 -0.000 0.000) 0.000 2.763 ( 0.000 -0.000 0.000) 0.000 2.812 ( 0.000 -0.000 0.000) 0.000 2.872 ( 0.000 -0.000 0.000) 0.000 2.911 ( 0.000 -0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 -0.000 0.000) 0.000 3.614 ( 0.000 -0.000 0.000) 0.000 4.310 ( 0.000 -0.000 0.000) 0.000 4.367 ( 0.000 -0.000 0.000) 0.000 4.655 ( 0.000 -0.000 0.000) 0.000 4.906 ( 0.000 -0.000 0.000) 0.000 8.158 ( 0.000 -0.000 0.000) 0.000 8.160 ( 0.000 -0.000 0.000) 0.000 8.247 ( -0.000 -0.000 0.000) 0.000 8.252 ( 0.000 -0.000 0.000) 0.000 8.863 ( -0.000 -0.000 0.000) 0.000 8.879 ( 0.000 -0.000 0.000) 0.000 10.026 ( 0.000 -0.000 0.000) 0.000 10.159 ( 0.000 -0.000 0.000) 0.000 10.845 ( 0.000 -0.000 0.000) 0.000 10.974 ( -0.000 -0.000 0.000) 0.000 10.982 ( 0.000 -0.000 0.000) 0.000 11.016 ( 0.000 -0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 -0.000 0.000) 0.000 11.247 ( 0.000 -0.000 0.000) 0.000 11.295 ( -0.000 -0.000 0.000) 0.000 12.567 ( 0.000 0.000 0.000) 0.000 12.620 ( -0.000 -0.000 0.000) 0.000 12.653 ( -0.000 -0.000 0.000) 0.000 12.656 ( 0.000 -0.000 0.000) 0.000 13.480 ( -0.000 -0.000 0.000) 0.000 13.503 ( 0.000 0.000 0.000) 0.000 13.676 ( -0.000 -0.000 0.000) 0.000 13.693 ( 0.000 0.000 0.000) 0.000 14.652 ( 0.000 -0.000 0.000) 0.000 14.771 ( 0.000 -0.000 0.000) 0.000 15.259 ( 0.000 0.000 0.000) 0.000 15.463 ( 0.000 -0.000 0.000) 0.000 15.741 ( -0.000 -0.000 0.000) 0.000 15.752 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/93) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 15.066 0.000 0.000) 15.066 0.595 ( 16.066 0.000 0.000) 16.066 1.229 ( 7.100 0.000 0.000) 7.100 1.420 ( 31.325 0.000 0.000) 31.325 1.662 ( -2.382 -0.000 0.000) 2.382 1.700 ( 3.037 0.000 0.000) 3.037 1.744 ( 11.847 0.000 0.000) 11.847 1.843 ( 1.701 0.000 0.000) 1.701 1.968 ( 9.518 0.000 0.000) 9.518 2.317 ( -1.499 -0.000 0.000) 1.499 2.327 ( 0.467 0.000 0.000) 0.467 2.333 ( -4.923 -0.000 0.000) 4.923 2.478 ( -5.140 -0.000 0.000) 5.140 2.503 ( -2.454 -0.000 0.000) 2.454 2.510 ( 0.711 0.000 0.000) 0.711 2.529 ( 0.865 0.000 0.000) 0.865 2.720 ( -1.478 -0.000 0.000) 1.478 2.763 ( -1.711 -0.000 0.000) 1.711 2.841 ( 3.816 0.000 0.000) 3.816 2.939 ( -2.151 -0.000 0.000) 2.151 2.957 ( -4.784 -0.000 0.000) 4.784 3.004 ( -3.798 -0.000 0.000) 3.798 3.107 ( 4.439 0.000 0.000) 4.439 3.181 ( -10.026 -0.000 0.000) 10.026 3.504 ( -15.037 -0.000 0.000) 15.037 3.739 ( 2.148 0.000 0.000) 2.148 4.112 ( 0.798 0.000 0.000) 0.798 4.455 ( -1.688 -0.000 0.000) 1.688 4.513 ( 4.863 0.000 0.000) 4.863 4.513 ( 8.422 0.000 0.000) 8.422 7.496 ( 15.376 0.000 0.000) 15.376 8.048 ( 18.853 0.000 0.000) 18.853 8.104 ( -1.989 -0.000 0.000) 1.989 8.324 ( -0.673 -0.000 0.000) 0.673 8.391 ( -1.346 -0.000 0.000) 1.346 8.723 ( 29.693 0.000 0.000) 29.693 9.077 ( 26.227 0.000 0.000) 26.227 9.214 ( -6.509 -0.000 0.000) 6.509 10.295 ( 51.164 0.000 0.000) 51.164 10.503 ( 1.132 0.000 0.000) 1.132 10.733 ( 7.515 0.000 0.000) 7.515 10.826 ( -3.363 -0.000 0.000) 3.363 10.891 ( 9.922 0.000 0.000) 9.922 11.034 ( 5.456 0.000 0.000) 5.456 11.086 ( 0.914 0.000 0.000) 0.914 11.366 ( -4.286 -0.000 0.000) 4.286 11.742 ( 16.862 0.000 0.000) 16.862 12.022 ( -12.402 -0.000 0.000) 12.402 12.156 ( 3.102 0.000 0.000) 3.102 12.169 ( 9.968 0.000 0.000) 9.968 13.496 ( 3.805 0.000 0.000) 3.805 13.807 ( -10.396 -0.000 0.000) 10.396 14.214 ( -1.296 -0.000 0.000) 1.296 14.278 ( -10.998 -0.000 0.000) 10.998 15.131 ( -1.748 -0.000 0.000) 1.748 15.385 ( 6.471 0.000 0.000) 6.471 15.678 ( -11.842 -0.000 0.000) 11.842 15.764 ( -21.296 -0.000 0.000) 21.296 15.956 ( -9.397 -0.000 0.000) 9.397 16.373 ( -7.496 -0.000 0.000) 7.496 ======================= Grid point 13 (8/93) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 14.739 -1.636 0.000) 14.829 0.891 ( 15.422 -1.639 0.000) 15.509 1.379 ( 8.533 -1.079 0.000) 8.601 1.616 ( -2.457 -0.170 0.000) 2.463 1.742 ( 1.119 0.761 0.000) 1.353 1.864 ( -0.503 0.810 0.000) 0.953 1.875 ( 1.845 0.083 0.000) 1.847 1.885 ( 18.868 -0.545 0.000) 18.876 2.118 ( 6.199 -1.002 0.000) 6.279 2.278 ( 0.857 1.120 0.000) 1.411 2.282 ( -1.897 0.088 0.000) 1.899 2.332 ( -0.151 0.275 0.000) 0.314 2.381 ( -3.124 1.105 0.000) 3.314 2.469 ( -1.242 0.075 0.000) 1.244 2.527 ( -0.267 -1.810 0.000) 1.830 2.550 ( 1.241 -0.337 0.000) 1.286 2.687 ( -3.242 1.821 0.000) 3.718 2.706 ( -2.649 -0.759 0.000) 2.755 2.877 ( -2.565 1.928 0.000) 3.209 2.889 ( -2.326 0.214 0.000) 2.336 2.895 ( -2.064 -0.174 0.000) 2.072 2.928 ( -4.497 -0.556 0.000) 4.531 2.976 ( -8.153 1.118 0.000) 8.229 3.221 ( 8.561 2.315 0.000) 8.869 3.240 ( -13.568 0.116 0.000) 13.568 3.738 ( -2.952 -0.963 0.000) 3.105 4.152 ( 3.108 -0.712 0.000) 3.189 4.429 ( -1.005 0.338 0.000) 1.060 4.605 ( 5.519 2.610 0.000) 6.104 4.658 ( 6.150 -4.225 0.000) 7.461 7.798 ( 16.598 0.065 0.000) 16.598 8.097 ( 1.014 -0.024 0.000) 1.015 8.297 ( 6.535 -0.292 0.000) 6.541 8.299 ( -1.779 -0.119 0.000) 1.783 8.418 ( 5.099 0.061 0.000) 5.100 9.127 ( -3.535 -0.687 0.000) 3.602 9.298 ( 31.149 -0.444 0.000) 31.152 9.577 ( 27.839 1.002 0.000) 27.857 10.544 ( 3.726 -0.256 0.000) 3.735 10.821 ( 6.941 0.444 0.000) 6.955 10.840 ( 4.544 -0.822 0.000) 4.618 10.962 ( 12.110 -0.072 0.000) 12.110 11.096 ( -0.061 0.044 0.000) 0.075 11.128 ( 4.487 0.036 0.000) 4.487 11.277 ( -5.321 -0.199 0.000) 5.325 11.447 ( 52.766 -0.522 0.000) 52.768 11.756 ( -17.401 -2.793 0.000) 17.623 12.046 ( 16.570 0.275 0.000) 16.572 12.256 ( 7.641 -0.230 0.000) 7.644 12.383 ( 12.838 -0.165 0.000) 12.839 13.569 ( 1.541 0.845 0.000) 1.757 13.586 ( -10.877 -0.479 0.000) 10.888 14.036 ( -13.706 2.021 0.000) 13.854 14.112 ( -9.847 0.552 0.000) 9.863 15.117 ( 9.658 11.379 0.000) 14.925 15.312 ( -23.648 4.425 0.000) 24.058 15.414 ( -19.408 -2.036 0.000) 19.515 15.493 ( 4.656 4.661 0.000) 6.588 15.793 ( -13.288 -9.921 0.000) 16.583 16.202 ( -10.724 0.875 0.000) 10.759 ======================= Grid point 14 (9/93) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 14.266 -2.003 0.000) 14.406 1.177 ( 14.356 -1.655 0.000) 14.452 1.544 ( 7.771 -1.593 0.000) 7.933 1.578 ( -1.812 -0.099 0.000) 1.815 1.689 ( -6.435 1.359 0.000) 6.577 1.734 ( -10.524 1.138 0.000) 10.586 1.910 ( 2.085 -0.430 0.000) 2.129 2.114 ( 7.533 0.713 0.000) 7.566 2.208 ( 3.187 -0.285 0.000) 3.200 2.262 ( -0.803 -1.495 0.000) 1.697 2.294 ( -1.092 3.860 0.000) 4.012 2.336 ( -0.774 -0.431 0.000) 0.885 2.379 ( 4.785 0.826 0.000) 4.855 2.448 ( -1.195 0.154 0.000) 1.205 2.519 ( -2.059 -0.842 0.000) 2.225 2.572 ( 0.603 -0.186 0.000) 0.631 2.600 ( -3.277 -0.317 0.000) 3.292 2.673 ( -3.274 -0.287 0.000) 3.286 2.727 ( -4.681 1.138 0.000) 4.817 2.826 ( -2.854 2.217 0.000) 3.614 2.840 ( -3.008 -0.088 0.000) 3.009 2.893 ( -0.523 -1.445 0.000) 1.537 2.954 ( 0.543 0.845 0.000) 1.005 3.020 ( -9.705 -0.210 0.000) 9.707 3.362 ( 9.160 4.689 0.000) 10.291 3.653 ( -7.034 -2.182 0.000) 7.364 4.223 ( 3.254 -1.802 0.000) 3.720 4.410 ( -0.531 1.026 0.000) 1.155 4.655 ( 1.622 1.130 0.000) 1.977 4.804 ( 6.178 -2.888 0.000) 6.820 8.055 ( 11.449 0.950 0.000) 11.488 8.133 ( 2.621 0.150 0.000) 2.625 8.264 ( -2.218 -0.518 0.000) 2.278 8.302 ( -4.758 -1.041 0.000) 4.870 8.596 ( 14.059 -0.121 0.000) 14.060 9.049 ( -7.259 -0.990 0.000) 7.326 9.800 ( 21.923 -0.537 0.000) 21.929 10.008 ( 17.531 0.765 0.000) 17.548 10.671 ( 11.562 0.571 0.000) 11.576 10.928 ( 5.708 0.747 0.000) 5.756 10.963 ( 6.000 -0.688 0.000) 6.039 11.063 ( -4.865 -0.742 0.000) 4.921 11.115 ( 5.283 -0.114 0.000) 5.284 11.189 ( -3.747 -0.279 0.000) 3.757 11.197 ( 3.598 0.482 0.000) 3.630 11.452 ( -17.468 -3.402 0.000) 17.797 12.330 ( 25.460 1.076 0.000) 25.483 12.373 ( 30.333 -1.324 0.000) 30.362 12.437 ( 11.348 -0.542 0.000) 11.361 12.602 ( 9.237 -0.275 0.000) 9.241 13.367 ( -6.664 -0.070 0.000) 6.665 13.615 ( -0.585 0.080 0.000) 0.591 13.783 ( -10.507 1.960 0.000) 10.688 13.881 ( -13.701 0.460 0.000) 13.708 14.871 ( -19.895 2.310 0.000) 20.029 15.041 ( -20.619 0.431 0.000) 20.624 15.271 ( 13.775 7.542 0.000) 15.705 15.447 ( -8.946 -0.345 0.000) 8.952 15.695 ( -0.446 -2.667 0.000) 2.704 15.976 ( -12.684 1.331 0.000) 12.754 ======================= Grid point 15 (10/93) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 11.982 -1.744 0.000) 12.108 1.427 ( 9.059 -0.386 0.000) 9.067 1.480 ( -9.343 3.010 0.000) 9.816 1.507 ( -8.471 0.844 0.000) 8.513 1.588 ( -0.674 -0.676 0.000) 0.955 1.675 ( 3.124 -0.645 0.000) 3.190 1.977 ( 3.925 -3.282 0.000) 5.117 2.120 ( -11.267 3.814 0.000) 11.895 2.207 ( 0.848 1.021 0.000) 1.327 2.244 ( -1.174 -0.093 0.000) 1.178 2.257 ( 1.881 0.086 0.000) 1.883 2.289 ( -0.707 -0.491 0.000) 0.861 2.440 ( 0.211 -0.026 0.000) 0.213 2.498 ( -0.004 -0.395 0.000) 0.395 2.508 ( 6.376 -1.166 0.000) 6.482 2.557 ( -5.968 1.112 0.000) 6.070 2.575 ( -0.898 -0.451 0.000) 1.005 2.595 ( -1.226 -2.333 0.000) 2.635 2.737 ( 2.385 0.966 0.000) 2.573 2.786 ( 0.151 2.235 0.000) 2.240 2.807 ( 0.163 -0.597 0.000) 0.619 2.870 ( -3.212 -0.143 0.000) 3.215 2.902 ( 0.094 -1.024 0.000) 1.028 2.981 ( 0.719 0.134 0.000) 0.731 3.393 ( -5.198 2.283 0.000) 5.678 3.605 ( 3.047 -1.118 0.000) 3.246 4.288 ( 1.911 -1.935 0.000) 2.719 4.387 ( -0.971 1.706 0.000) 1.963 4.649 ( -1.861 -0.623 0.000) 1.962 4.909 ( 3.730 0.310 0.000) 3.743 8.161 ( -4.458 0.194 0.000) 4.462 8.165 ( 0.376 0.880 0.000) 0.957 8.241 ( -0.263 -1.218 0.000) 1.246 8.246 ( 4.474 -0.173 0.000) 4.477 8.859 ( -10.890 -0.313 0.000) 10.895 8.882 ( 12.788 0.298 0.000) 12.792 10.038 ( 1.775 1.356 0.000) 2.234 10.149 ( -0.897 -1.284 0.000) 1.566 10.843 ( -9.813 -0.136 0.000) 9.814 10.976 ( 9.330 0.256 0.000) 9.333 10.978 ( -2.841 -0.400 0.000) 2.869 11.021 ( 2.642 0.434 0.000) 2.678 11.162 ( 0.612 -0.107 0.000) 0.622 11.169 ( 0.000 0.187 0.000) 0.187 11.240 ( -4.959 -0.700 0.000) 5.008 11.305 ( 9.455 0.958 0.000) 9.503 12.574 ( -0.982 0.951 0.000) 1.367 12.619 ( 3.605 -0.020 0.000) 3.605 12.645 ( 1.106 -0.986 0.000) 1.482 12.653 ( -2.410 -0.246 0.000) 2.422 13.479 ( -9.381 -0.080 0.000) 9.381 13.505 ( 10.441 0.165 0.000) 10.443 13.668 ( -6.924 -0.562 0.000) 6.947 13.707 ( 4.369 1.227 0.000) 4.538 14.649 ( -0.549 -0.324 0.000) 0.638 14.774 ( -4.170 0.241 0.000) 4.177 15.170 ( -20.133 -7.761 0.000) 21.577 15.513 ( 12.685 3.448 0.000) 13.145 15.742 ( -9.920 0.240 0.000) 9.923 15.786 ( 8.973 3.677 0.000) 9.697 ======================= Grid point 16 (11/93) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -10.784 5.603 0.000) 12.153 1.256 ( -11.698 2.577 0.000) 11.978 1.572 ( 4.905 -0.691 0.000) 4.954 1.622 ( -0.075 2.174 0.000) 2.175 1.631 ( 4.932 -1.655 0.000) 5.202 1.689 ( 4.624 -0.635 0.000) 4.667 1.912 ( -7.109 -0.619 0.000) 7.135 2.097 ( -7.660 -0.146 0.000) 7.661 2.107 ( 3.676 -6.020 0.000) 7.053 2.221 ( -1.233 0.411 0.000) 1.300 2.312 ( 3.051 0.987 0.000) 3.207 2.343 ( 1.077 -0.249 0.000) 1.105 2.388 ( -7.204 1.975 0.000) 7.470 2.449 ( 0.812 0.137 0.000) 0.823 2.508 ( 0.512 -2.220 0.000) 2.278 2.554 ( -1.122 -1.203 0.000) 1.645 2.588 ( 1.193 -0.292 0.000) 1.228 2.672 ( 5.508 -1.563 0.000) 5.725 2.716 ( -1.061 0.728 0.000) 1.287 2.789 ( 1.860 0.487 0.000) 1.923 2.840 ( 2.523 -0.019 0.000) 2.523 2.911 ( 0.300 -0.489 0.000) 0.573 2.914 ( 2.109 -1.459 0.000) 2.565 3.027 ( 6.952 0.168 0.000) 6.954 3.229 ( -10.216 -2.006 0.000) 10.411 3.707 ( 6.317 0.939 0.000) 6.387 4.296 ( -2.297 1.636 0.000) 2.820 4.368 ( 0.495 -0.829 0.000) 0.966 4.602 ( -4.209 -1.784 0.000) 4.572 4.924 ( -0.503 3.522 0.000) 3.558 8.018 ( -10.243 -1.022 0.000) 10.294 8.135 ( -2.219 0.379 0.000) 2.251 8.270 ( 1.809 -0.469 0.000) 1.868 8.344 ( 4.176 1.152 0.000) 4.332 8.602 ( -13.619 0.214 0.000) 13.621 9.096 ( 8.495 1.573 0.000) 8.640 9.834 ( -20.434 1.509 0.000) 20.489 9.976 ( -20.257 -1.042 0.000) 20.284 10.650 ( -6.663 -0.507 0.000) 6.683 10.897 ( -5.595 -0.954 0.000) 5.675 10.994 ( -4.656 1.107 0.000) 4.786 11.091 ( 2.418 0.838 0.000) 2.559 11.121 ( -5.478 0.214 0.000) 5.483 11.175 ( -3.135 -0.747 0.000) 3.223 11.203 ( 4.512 0.482 0.000) 4.538 11.617 ( 23.434 5.571 0.000) 24.087 12.315 ( -21.608 0.166 0.000) 21.608 12.398 ( -33.463 0.088 0.000) 33.463 12.462 ( -11.298 0.855 0.000) 11.330 12.611 ( -8.430 0.146 0.000) 8.431 13.373 ( 6.913 0.284 0.000) 6.919 13.609 ( -1.726 -0.300 0.000) 1.752 13.678 ( 4.904 -3.931 0.000) 6.285 13.881 ( 12.702 0.898 0.000) 12.734 14.797 ( 12.982 -1.278 0.000) 13.045 14.840 ( -25.192 -14.899 0.000) 29.268 14.983 ( 22.160 -3.085 0.000) 22.374 15.498 ( -6.510 1.775 0.000) 6.747 15.817 ( 14.101 1.037 0.000) 14.139 15.957 ( 12.029 2.952 0.000) 12.386 ======================= Grid point 17 (12/93) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -9.433 8.597 0.000) 12.763 1.016 ( -11.468 4.978 0.000) 12.502 1.473 ( -7.927 4.525 0.000) 9.128 1.624 ( 1.727 0.175 0.000) 1.736 1.696 ( -0.403 -1.453 0.000) 1.508 1.799 ( 0.796 -3.030 0.000) 3.133 1.846 ( -2.636 -2.001 0.000) 3.309 1.918 ( -14.805 0.692 0.000) 14.822 2.163 ( -5.516 0.609 0.000) 5.549 2.193 ( 2.613 -3.432 0.000) 4.313 2.250 ( -3.116 -1.476 0.000) 3.448 2.342 ( 1.207 2.563 0.000) 2.833 2.373 ( 1.187 0.084 0.000) 1.190 2.468 ( 1.471 0.077 0.000) 1.473 2.554 ( -0.681 -0.847 0.000) 1.087 2.576 ( 3.748 -3.773 0.000) 5.318 2.608 ( 1.827 1.494 0.000) 2.360 2.731 ( 0.406 -0.073 0.000) 0.413 2.755 ( 4.174 -3.636 0.000) 5.535 2.844 ( 1.061 -2.640 0.000) 2.845 2.888 ( 1.116 -0.338 0.000) 1.166 2.928 ( 1.313 -1.330 0.000) 1.869 2.948 ( 4.905 -0.245 0.000) 4.911 3.109 ( -3.606 -1.762 0.000) 4.014 3.229 ( 13.442 -0.508 0.000) 13.452 3.790 ( 3.223 1.509 0.000) 3.558 4.208 ( -4.327 2.462 0.000) 4.979 4.400 ( 1.542 -1.341 0.000) 2.044 4.532 ( -4.925 -2.171 0.000) 5.382 4.833 ( -5.441 5.564 0.000) 7.782 7.793 ( -15.049 -0.219 0.000) 15.051 8.099 ( -1.135 0.104 0.000) 1.140 8.303 ( 1.527 -0.076 0.000) 1.529 8.319 ( -7.588 0.845 0.000) 7.635 8.415 ( -6.019 -0.080 0.000) 6.019 9.180 ( 3.963 2.164 0.000) 4.515 9.331 ( -31.664 1.347 0.000) 31.693 9.516 ( -28.771 -1.836 0.000) 28.830 10.567 ( -3.841 1.073 0.000) 3.988 10.793 ( -7.551 -1.126 0.000) 7.634 10.903 ( -2.220 2.794 0.000) 3.568 10.968 ( -11.375 0.249 0.000) 11.378 11.095 ( -1.369 0.105 0.000) 1.373 11.124 ( -2.671 -0.212 0.000) 2.679 11.292 ( 5.270 0.629 0.000) 5.308 11.486 ( -51.919 1.543 0.000) 51.942 11.966 ( 19.513 8.489 0.000) 21.280 12.023 ( -17.094 -0.998 0.000) 17.123 12.275 ( -7.891 0.890 0.000) 7.941 12.395 ( -13.024 0.485 0.000) 13.033 13.534 ( -1.840 -1.057 0.000) 2.122 13.592 ( 10.090 -0.156 0.000) 10.091 13.779 ( -6.084 -14.680 0.000) 15.891 14.092 ( 10.478 -0.004 0.000) 10.478 14.527 ( -20.933 -15.101 0.000) 25.811 15.111 ( 17.025 -6.363 0.000) 18.175 15.429 ( 22.271 -1.279 0.000) 22.308 15.437 ( 1.451 -0.305 0.000) 1.483 16.081 ( 15.666 1.962 0.000) 15.789 16.164 ( 12.952 2.901 0.000) 13.273 ======================= Grid point 18 (13/93) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -11.141 8.204 0.000) 13.836 0.757 ( -8.063 11.970 0.000) 14.432 1.308 ( -5.771 4.631 0.000) 7.399 1.490 ( -26.896 3.315 0.000) 27.099 1.621 ( -2.405 -1.557 0.000) 2.865 1.722 ( 1.345 1.173 0.000) 1.784 1.729 ( -9.224 -0.946 0.000) 9.273 1.824 ( -1.585 -1.495 0.000) 2.179 1.998 ( -12.386 -1.334 0.000) 12.457 2.238 ( -0.488 -1.085 0.000) 1.190 2.290 ( 5.134 -2.046 0.000) 5.527 2.354 ( 0.455 -0.472 0.000) 0.655 2.398 ( 1.550 0.265 0.000) 1.572 2.502 ( 2.243 -0.039 0.000) 2.244 2.542 ( -0.449 0.285 0.000) 0.532 2.635 ( 2.930 2.849 0.000) 4.087 2.676 ( 2.776 -3.362 0.000) 4.360 2.720 ( -0.436 -1.360 0.000) 1.428 2.811 ( -2.502 -1.729 0.000) 3.042 2.872 ( 0.399 -2.646 0.000) 2.676 2.915 ( 2.286 -1.812 0.000) 2.917 3.038 ( 6.699 -5.940 0.000) 8.953 3.064 ( 7.007 0.513 0.000) 7.026 3.129 ( 4.987 1.713 0.000) 5.273 3.500 ( 15.430 -0.381 0.000) 15.435 3.782 ( -2.606 1.723 0.000) 3.124 4.135 ( -1.430 1.510 0.000) 2.080 4.442 ( 2.129 -0.696 0.000) 2.239 4.467 ( -3.740 -1.893 0.000) 4.192 4.644 ( -10.002 5.747 0.000) 11.536 7.505 ( -15.143 0.466 0.000) 15.151 8.051 ( -19.353 0.198 0.000) 19.354 8.103 ( 1.834 -0.027 0.000) 1.835 8.323 ( 0.330 -0.108 0.000) 0.347 8.378 ( 0.963 -0.666 0.000) 1.171 8.737 ( -30.144 0.760 0.000) 30.153 9.015 ( -27.153 -2.684 0.000) 27.285 9.258 ( 6.722 2.336 0.000) 7.116 10.304 ( -49.548 0.443 0.000) 49.550 10.464 ( -8.190 -1.452 0.000) 8.317 10.739 ( -7.951 0.375 0.000) 7.960 10.866 ( -3.840 1.286 0.000) 4.049 10.925 ( -3.181 2.649 0.000) 4.139 11.038 ( -3.869 0.608 0.000) 3.917 11.092 ( -1.298 0.172 0.000) 1.309 11.376 ( 4.200 0.512 0.000) 4.231 11.730 ( -15.847 -0.597 0.000) 15.859 12.134 ( 1.104 5.348 0.000) 5.461 12.165 ( -3.715 0.521 0.000) 3.751 12.177 ( -7.301 0.892 0.000) 7.355 13.477 ( -3.367 -1.027 0.000) 3.520 13.626 ( -31.567 -36.514 0.000) 48.268 13.798 ( 9.805 -0.569 0.000) 9.822 14.244 ( 2.796 -1.031 0.000) 2.980 14.365 ( -3.398 -4.261 0.000) 5.449 15.475 ( 14.526 -9.665 0.000) 17.447 15.545 ( 8.622 -0.613 0.000) 8.643 15.785 ( 16.176 -0.183 0.000) 16.177 16.319 ( 8.698 -2.496 0.000) 9.049 16.410 ( 21.587 11.036 0.000) 24.245 ======================= Grid point 19 (14/93) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -9.329 12.016 0.000) 15.212 0.506 ( -8.205 14.402 0.000) 16.575 0.887 ( -31.659 9.243 0.000) 32.981 1.194 ( -2.420 5.378 0.000) 5.898 1.534 ( -10.218 1.354 0.000) 10.307 1.601 ( -1.159 -2.405 0.000) 2.670 1.717 ( -4.512 0.978 0.000) 4.617 1.804 ( -5.696 -1.527 0.000) 5.897 1.810 ( -0.934 -0.787 0.000) 1.221 2.223 ( -2.988 -1.602 0.000) 3.390 2.349 ( -1.108 -0.715 0.000) 1.319 2.385 ( 3.118 -1.922 0.000) 3.662 2.432 ( 1.749 -1.319 0.000) 2.190 2.528 ( 0.164 0.437 0.000) 0.467 2.558 ( 2.593 0.305 0.000) 2.611 2.656 ( 1.758 3.056 0.000) 3.525 2.677 ( -2.292 -1.420 0.000) 2.696 2.756 ( -3.636 -0.893 0.000) 3.744 2.792 ( 4.420 -0.876 0.000) 4.506 2.900 ( -0.503 -4.256 0.000) 4.285 2.959 ( 1.258 -0.960 0.000) 1.583 3.177 ( 5.388 5.449 0.000) 7.663 3.209 ( 4.724 -7.955 0.000) 9.252 3.259 ( 14.677 3.973 0.000) 15.206 3.702 ( -3.865 0.776 0.000) 3.942 3.785 ( 15.279 0.097 0.000) 15.280 4.123 ( 0.587 0.909 0.000) 1.082 4.389 ( -12.431 4.632 0.000) 13.266 4.433 ( -1.939 -1.526 0.000) 2.467 4.486 ( 2.439 0.350 0.000) 2.464 7.273 ( -9.086 0.372 0.000) 9.093 7.712 ( -15.158 -0.100 0.000) 15.158 8.172 ( 5.173 -0.073 0.000) 5.173 8.216 ( -14.616 -0.383 0.000) 14.621 8.391 ( -2.891 0.600 0.000) 2.952 8.440 ( 4.655 -0.760 0.000) 4.717 8.597 ( -20.854 -3.329 0.000) 21.118 9.357 ( 3.724 1.857 0.000) 4.161 9.475 ( -34.432 1.224 0.000) 34.454 10.236 ( -27.589 -13.585 0.000) 30.753 10.609 ( -5.757 0.188 0.000) 5.760 10.781 ( -2.935 -0.259 0.000) 2.947 10.964 ( -2.719 1.987 0.000) 3.367 10.978 ( 7.340 2.619 0.000) 7.793 11.070 ( -0.884 -0.019 0.000) 0.884 11.432 ( 1.868 0.218 0.000) 1.881 11.454 ( -13.642 1.341 0.000) 13.708 11.927 ( -28.359 -12.232 0.000) 30.884 12.051 ( -7.506 -1.235 0.000) 7.607 12.111 ( -2.379 0.207 0.000) 2.388 13.298 ( -32.804 -32.109 0.000) 45.903 13.435 ( -1.858 -0.525 0.000) 1.931 13.942 ( 5.229 -0.835 0.000) 5.296 14.204 ( -3.395 -0.410 0.000) 3.420 14.438 ( 4.324 -0.781 0.000) 4.394 15.708 ( 7.416 -0.930 0.000) 7.474 15.750 ( 7.161 -7.832 0.000) 10.613 16.032 ( 9.845 -2.290 0.000) 10.107 16.450 ( 4.003 -2.046 0.000) 4.495 16.768 ( 28.908 14.667 0.000) 32.416 ======================= Grid point 20 (15/93) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( -0.000 13.354 0.000) 13.354 0.263 ( -0.000 16.177 0.000) 16.177 0.384 ( -0.000 23.667 0.000) 23.667 1.129 ( -0.000 5.102 0.000) 5.102 1.413 ( -0.000 1.310 0.000) 1.310 1.614 ( 0.000 -2.975 0.000) 2.975 1.631 ( 0.000 -0.752 0.000) 0.752 1.791 ( -0.000 0.490 0.000) 0.490 1.805 ( 0.000 -0.330 0.000) 0.330 2.157 ( -0.000 1.369 0.000) 1.369 2.342 ( 0.000 -0.491 0.000) 0.491 2.429 ( 0.000 -1.739 0.000) 1.739 2.472 ( 0.000 -2.258 0.000) 2.258 2.523 ( -0.000 0.872 0.000) 0.872 2.587 ( -0.000 0.229 0.000) 0.229 2.646 ( -0.000 0.540 0.000) 0.540 2.651 ( -0.000 2.336 0.000) 2.336 2.722 ( 0.000 -0.806 0.000) 0.806 2.847 ( -0.000 0.442 0.000) 0.442 2.931 ( 0.000 -6.270 0.000) 6.270 2.977 ( 0.000 -0.530 0.000) 0.530 3.175 ( -0.000 6.128 0.000) 6.128 3.314 ( 0.000 -6.551 0.000) 6.551 3.577 ( 0.000 -3.195 0.000) 3.195 3.651 ( 0.000 -0.371 0.000) 0.371 3.996 ( 0.000 -0.434 0.000) 0.434 4.133 ( 0.000 -0.214 0.000) 0.214 4.168 ( -0.000 4.125 0.000) 4.125 4.429 ( 0.000 -1.084 0.000) 1.084 4.514 ( -0.000 1.308 0.000) 1.308 7.186 ( -0.000 0.187 0.000) 0.187 7.567 ( 0.000 -0.126 0.000) 0.126 8.055 ( 0.000 -0.364 0.000) 0.364 8.279 ( 0.000 -0.143 0.000) 0.143 8.331 ( 0.000 -0.238 0.000) 0.238 8.395 ( 0.000 -0.009 0.000) 0.009 8.512 ( 0.000 -0.612 0.000) 0.612 9.095 ( -0.000 0.583 0.000) 0.583 9.403 ( -0.000 1.850 0.000) 1.850 9.556 ( -0.000 0.405 0.000) 0.405 10.551 ( -0.000 0.134 0.000) 0.134 10.757 ( 0.000 -0.213 0.000) 0.213 10.922 ( -0.000 2.070 0.000) 2.070 11.062 ( 0.000 -0.086 0.000) 0.086 11.092 ( 0.000 -0.278 0.000) 0.278 11.249 ( -0.000 3.269 0.000) 3.269 11.434 ( -0.000 0.287 0.000) 0.287 11.451 ( -0.000 0.278 0.000) 0.278 11.991 ( -0.000 0.029 0.000) 0.029 12.089 ( -0.000 0.421 0.000) 0.421 13.051 ( 0.000 -1.109 0.000) 1.109 13.420 ( 0.000 -0.266 0.000) 0.266 13.997 ( 0.000 -0.664 0.000) 0.664 14.173 ( 0.000 -0.100 0.000) 0.100 14.485 ( 0.000 -0.553 0.000) 0.553 15.795 ( 0.000 -1.646 0.000) 1.646 15.859 ( 0.000 -3.951 0.000) 3.951 16.156 ( 0.000 -3.935 0.000) 3.935 16.500 ( 0.000 -1.369 0.000) 1.369 17.122 ( -0.000 0.316 0.000) 0.316 ======================= Grid point 23 (16/93) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 14.619 0.000 0.000) 14.619 1.164 ( 14.881 0.000 0.000) 14.881 1.531 ( 8.275 0.000 0.000) 8.275 1.577 ( -1.473 -0.000 0.000) 1.473 1.700 ( -6.513 -0.000 0.000) 6.513 1.743 ( -10.920 -0.000 0.000) 10.920 1.906 ( 1.531 0.000 0.000) 1.531 2.121 ( 7.980 0.000 0.000) 7.980 2.206 ( 3.825 0.000 0.000) 3.825 2.248 ( -0.798 -0.000 0.000) 0.798 2.325 ( -0.247 -0.000 0.000) 0.247 2.332 ( -0.724 -0.000 0.000) 0.724 2.387 ( 3.971 0.000 0.000) 3.971 2.450 ( -1.450 -0.000 0.000) 1.450 2.510 ( -1.262 -0.000 0.000) 1.262 2.570 ( 0.833 0.000 0.000) 0.833 2.596 ( -5.110 -0.000 0.000) 5.110 2.671 ( -2.815 -0.000 0.000) 2.815 2.738 ( -6.541 -0.000 0.000) 6.541 2.839 ( -2.940 -0.000 0.000) 2.940 2.855 ( -2.832 -0.000 0.000) 2.832 2.871 ( -0.086 -0.000 0.000) 0.086 2.962 ( 1.380 0.000 0.000) 1.380 3.018 ( -10.600 -0.000 0.000) 10.600 3.407 ( 9.965 0.000 0.000) 9.965 3.631 ( -8.262 -0.000 0.000) 8.262 4.208 ( 3.189 0.000 0.000) 3.189 4.419 ( -0.338 -0.000 0.000) 0.338 4.664 ( 0.173 0.000 0.000) 0.173 4.779 ( 8.288 0.000 0.000) 8.288 8.063 ( 11.865 0.000 0.000) 11.865 8.134 ( 2.907 0.000 0.000) 2.907 8.259 ( -2.529 -0.000 0.000) 2.529 8.293 ( -5.042 -0.000 0.000) 5.042 8.595 ( 14.113 0.000 0.000) 14.113 9.040 ( -7.041 -0.000 0.000) 7.041 9.796 ( 22.397 0.000 0.000) 22.397 10.015 ( 16.671 0.000 0.000) 16.671 10.676 ( 12.670 0.000 0.000) 12.670 10.934 ( 5.804 0.000 0.000) 5.804 10.957 ( 6.104 0.000 0.000) 6.104 11.056 ( -5.591 -0.000 0.000) 5.591 11.114 ( 5.256 0.000 0.000) 5.256 11.187 ( -3.594 -0.000 0.000) 3.594 11.201 ( 3.738 0.000 0.000) 3.738 11.423 ( -16.296 -0.000 0.000) 16.296 12.350 ( 16.713 0.000 0.000) 16.713 12.351 ( 39.211 0.000 0.000) 39.211 12.432 ( 11.338 0.000 0.000) 11.338 12.599 ( 9.330 0.000 0.000) 9.330 13.366 ( -6.647 -0.000 0.000) 6.647 13.616 ( -0.927 -0.000 0.000) 0.927 13.799 ( -10.993 -0.000 0.000) 10.993 13.885 ( -14.060 -0.000 0.000) 14.060 14.891 ( -21.688 -0.000 0.000) 21.688 15.043 ( -19.776 -0.000 0.000) 19.776 15.323 ( 11.154 0.000 0.000) 11.154 15.453 ( -18.590 -0.000 0.000) 18.590 15.675 ( 9.082 0.000 0.000) 9.082 15.988 ( -12.918 -0.000 0.000) 12.918 ======================= Grid point 24 (17/93) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 13.162 -0.665 0.000) 13.179 1.422 ( 12.713 -0.184 0.000) 12.714 1.519 ( -12.161 0.530 0.000) 12.173 1.525 ( -9.329 2.212 0.000) 9.587 1.572 ( -0.624 -1.180 0.000) 1.335 1.664 ( 5.295 -0.487 0.000) 5.317 1.940 ( 2.223 -1.164 0.000) 2.510 2.164 ( -14.040 1.512 0.000) 14.121 2.223 ( 2.186 0.596 0.000) 2.266 2.248 ( -0.679 0.673 0.000) 0.956 2.257 ( 1.517 -0.173 0.000) 1.527 2.278 ( -1.770 -0.728 0.000) 1.914 2.439 ( 0.353 -0.016 0.000) 0.353 2.491 ( 0.150 -0.294 0.000) 0.330 2.494 ( 5.147 -0.532 0.000) 5.174 2.557 ( 0.538 -0.834 0.000) 0.993 2.568 ( -1.303 -0.254 0.000) 1.328 2.578 ( -6.547 0.220 0.000) 6.551 2.754 ( 5.380 0.871 0.000) 5.450 2.795 ( -1.467 -0.666 0.000) 1.611 2.819 ( -0.696 1.450 0.000) 1.609 2.868 ( -5.007 -0.083 0.000) 5.008 2.883 ( 0.438 -1.045 0.000) 1.133 2.983 ( 1.092 0.086 0.000) 1.096 3.433 ( -10.744 1.918 0.000) 10.914 3.583 ( 7.355 -1.182 0.000) 7.450 4.264 ( 2.463 -0.855 0.000) 2.607 4.408 ( -0.919 0.714 0.000) 1.164 4.640 ( -2.742 -0.376 0.000) 2.768 4.913 ( 5.800 0.181 0.000) 5.802 8.164 ( -7.754 0.129 0.000) 7.755 8.185 ( 1.382 1.471 0.000) 2.018 8.216 ( -1.191 -1.679 0.000) 2.058 8.243 ( 7.783 -0.116 0.000) 7.783 8.855 ( -12.708 -0.145 0.000) 12.709 8.886 ( 15.775 0.136 0.000) 15.776 10.064 ( 4.753 1.528 0.000) 4.993 10.123 ( -3.342 -1.484 0.000) 3.657 10.841 ( -15.201 -0.084 0.000) 15.202 10.972 ( -3.711 -0.195 0.000) 3.717 10.980 ( 14.445 0.158 0.000) 14.446 11.026 ( 3.390 0.216 0.000) 3.397 11.161 ( 0.833 -0.035 0.000) 0.833 11.171 ( 0.157 0.084 0.000) 0.178 11.231 ( -5.387 -0.306 0.000) 5.396 11.317 ( 12.668 0.467 0.000) 12.677 12.595 ( -3.837 1.400 0.000) 4.085 12.619 ( 6.418 -0.008 0.000) 6.418 12.625 ( 4.040 -1.422 0.000) 4.283 12.649 ( -4.510 -0.158 0.000) 4.512 13.478 ( -13.242 -0.040 0.000) 13.242 13.507 ( 14.957 0.093 0.000) 14.957 13.662 ( -8.413 -0.190 0.000) 8.415 13.724 ( 4.390 0.622 0.000) 4.434 14.644 ( -1.095 -0.189 0.000) 1.111 14.777 ( -6.540 0.137 0.000) 6.542 15.073 ( -24.383 -3.488 0.000) 24.631 15.546 ( 13.180 0.821 0.000) 13.206 15.746 ( -12.698 0.163 0.000) 12.699 15.841 ( 10.184 2.239 0.000) 10.427 ======================= Grid point 25 (18/93) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -10.954 1.595 0.000) 11.070 1.325 ( -8.527 4.540 0.000) 9.660 1.559 ( 6.737 -0.768 0.000) 6.781 1.609 ( 3.999 -1.114 0.000) 4.151 1.632 ( 8.179 -0.543 0.000) 8.197 1.703 ( -1.018 1.763 0.000) 2.036 1.900 ( -11.160 -0.588 0.000) 11.176 2.027 ( 4.042 -3.820 0.000) 5.562 2.097 ( -9.136 0.113 0.000) 9.137 2.227 ( -0.449 0.304 0.000) 0.542 2.319 ( 2.839 0.130 0.000) 2.842 2.342 ( 1.539 -0.159 0.000) 1.547 2.419 ( -5.740 1.568 0.000) 5.951 2.451 ( 0.865 0.097 0.000) 0.871 2.471 ( -1.941 -1.766 0.000) 2.624 2.537 ( -1.853 -0.840 0.000) 2.034 2.589 ( 2.871 0.292 0.000) 2.886 2.639 ( 5.228 -2.137 0.000) 5.648 2.730 ( -2.383 0.809 0.000) 2.516 2.801 ( -0.027 0.696 0.000) 0.696 2.841 ( 1.960 0.121 0.000) 1.963 2.892 ( 3.550 -1.155 0.000) 3.733 2.898 ( 0.327 -0.955 0.000) 1.010 3.029 ( 6.116 0.098 0.000) 6.117 3.216 ( -10.600 0.029 0.000) 10.600 3.717 ( 6.659 0.317 0.000) 6.666 4.306 ( 1.065 -0.177 0.000) 1.079 4.368 ( -2.339 0.585 0.000) 2.411 4.578 ( -4.579 -1.153 0.000) 4.722 4.970 ( 0.961 1.987 0.000) 2.208 8.005 ( -10.019 -0.551 0.000) 10.034 8.143 ( -2.706 0.505 0.000) 2.753 8.259 ( 2.379 -0.737 0.000) 2.490 8.358 ( 4.155 0.633 0.000) 4.203 8.605 ( -13.365 0.133 0.000) 13.366 9.117 ( 9.027 0.961 0.000) 9.078 9.858 ( -20.873 1.373 0.000) 20.919 9.960 ( -19.993 -0.896 0.000) 20.013 10.644 ( -4.928 -0.265 0.000) 4.935 10.884 ( -5.621 -0.577 0.000) 5.650 11.010 ( -3.832 0.737 0.000) 3.902 11.103 ( 1.926 0.578 0.000) 2.010 11.124 ( -5.607 0.134 0.000) 5.608 11.164 ( -3.135 -0.517 0.000) 3.177 11.210 ( 4.806 0.312 0.000) 4.816 11.692 ( 25.910 3.542 0.000) 26.151 12.321 ( -19.521 0.466 0.000) 19.527 12.395 ( -35.256 -0.349 0.000) 35.258 12.474 ( -11.225 0.545 0.000) 11.238 12.612 ( -7.904 -0.046 0.000) 7.904 13.377 ( 7.151 0.244 0.000) 7.155 13.604 ( -2.974 -0.271 0.000) 2.986 13.622 ( 0.770 -2.731 0.000) 2.837 13.901 ( 13.129 1.405 0.000) 13.204 14.638 ( -27.556 -9.567 0.000) 29.170 14.790 ( 9.563 0.296 0.000) 9.567 14.932 ( 23.280 -2.954 0.000) 23.467 15.523 ( -8.633 1.253 0.000) 8.724 15.806 ( 13.293 -1.394 0.000) 13.365 16.022 ( 12.469 3.731 0.000) 13.016 ======================= Grid point 26 (19/93) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -9.097 3.823 0.000) 9.867 1.145 ( -5.465 9.032 0.000) 10.557 1.554 ( -7.482 5.481 0.000) 9.275 1.625 ( 1.480 -0.167 0.000) 1.489 1.678 ( 0.722 -0.812 0.000) 1.087 1.749 ( 0.578 -3.025 0.000) 3.080 1.803 ( -3.042 -3.376 0.000) 4.544 1.916 ( -13.336 -0.976 0.000) 13.371 2.142 ( 5.260 -2.760 0.000) 5.940 2.165 ( -9.632 -0.030 0.000) 9.632 2.240 ( -1.440 0.033 0.000) 1.440 2.367 ( -0.777 -0.696 0.000) 1.043 2.394 ( 1.950 3.365 0.000) 3.889 2.470 ( 1.442 0.147 0.000) 1.449 2.521 ( 4.772 -2.623 0.000) 5.445 2.531 ( -0.228 -1.770 0.000) 1.785 2.620 ( 1.286 -0.373 0.000) 1.339 2.704 ( -1.367 -2.737 0.000) 3.059 2.717 ( 1.476 -1.212 0.000) 1.910 2.819 ( 1.857 -0.261 0.000) 1.875 2.884 ( 1.357 -0.158 0.000) 1.366 2.909 ( -0.021 -0.938 0.000) 0.938 2.933 ( 3.706 -1.383 0.000) 3.956 3.104 ( -0.520 0.659 0.000) 0.840 3.221 ( 13.281 -0.453 0.000) 13.288 3.810 ( 3.496 0.911 0.000) 3.613 4.249 ( -4.656 2.458 0.000) 5.265 4.376 ( 1.770 -1.566 0.000) 2.364 4.500 ( -4.911 -1.725 0.000) 5.206 4.910 ( -4.978 3.840 0.000) 6.287 7.789 ( -14.216 -0.187 0.000) 14.217 8.101 ( -1.338 0.088 0.000) 1.341 8.300 ( 1.651 -0.264 0.000) 1.672 8.331 ( -8.116 0.642 0.000) 8.141 8.414 ( -6.566 -0.018 0.000) 6.566 9.212 ( 4.245 1.729 0.000) 4.583 9.351 ( -32.105 1.055 0.000) 32.122 9.494 ( -29.097 -1.001 0.000) 29.115 10.584 ( -3.656 0.951 0.000) 3.778 10.776 ( -7.917 -0.920 0.000) 7.970 10.947 ( -0.968 2.422 0.000) 2.608 10.972 ( -10.564 0.249 0.000) 10.567 11.098 ( -1.824 0.304 0.000) 1.849 11.120 ( -1.772 -0.291 0.000) 1.796 11.302 ( 5.223 0.517 0.000) 5.248 11.509 ( -51.685 1.193 0.000) 51.699 12.007 ( -17.320 -0.876 0.000) 17.343 12.095 ( 20.868 7.118 0.000) 22.048 12.291 ( -7.341 1.118 0.000) 7.426 12.402 ( -13.001 0.334 0.000) 13.005 13.519 ( -3.552 -0.727 0.000) 3.626 13.530 ( -23.891 -14.832 0.000) 28.121 13.588 ( 11.127 -0.271 0.000) 11.130 14.102 ( 9.799 1.294 0.000) 9.884 14.345 ( -9.816 -8.369 0.000) 12.900 15.023 ( 13.434 -4.472 0.000) 14.159 15.403 ( 23.520 -1.669 0.000) 23.579 15.435 ( 0.367 -0.037 0.000) 0.369 16.058 ( 12.195 -2.459 0.000) 12.440 16.246 ( 16.345 5.042 0.000) 17.105 ======================= Grid point 27 (20/93) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -7.885 7.775 0.000) 11.074 0.970 ( -4.110 13.966 0.000) 14.558 1.395 ( -4.530 5.995 0.000) 7.514 1.538 ( -23.174 2.473 0.000) 23.305 1.602 ( -3.043 -0.765 0.000) 3.138 1.709 ( -6.670 -1.603 0.000) 6.860 1.731 ( 1.608 -0.246 0.000) 1.627 1.789 ( -1.593 -2.880 0.000) 3.291 1.952 ( -15.144 -3.679 0.000) 15.584 2.240 ( 0.603 0.807 0.000) 1.007 2.259 ( 5.415 -1.713 0.000) 5.679 2.349 ( -0.536 -0.304 0.000) 0.616 2.410 ( 0.613 1.313 0.000) 1.449 2.502 ( 1.975 -0.050 0.000) 1.975 2.539 ( 0.109 -0.730 0.000) 0.738 2.630 ( 4.073 -1.871 0.000) 4.483 2.661 ( 1.633 -2.348 0.000) 2.860 2.683 ( 0.154 -0.546 0.000) 0.567 2.777 ( 0.467 -2.350 0.000) 2.396 2.854 ( 1.533 0.098 0.000) 1.536 2.878 ( 0.427 -2.344 0.000) 2.382 2.967 ( 3.508 -2.798 0.000) 4.487 3.047 ( 7.055 -2.251 0.000) 7.405 3.165 ( 7.023 2.405 0.000) 7.423 3.492 ( 15.603 -0.506 0.000) 15.611 3.805 ( -3.362 1.078 0.000) 3.531 4.164 ( -1.716 2.002 0.000) 2.636 4.429 ( 2.951 -0.805 0.000) 3.059 4.436 ( -3.602 -1.956 0.000) 4.098 4.731 ( -10.510 4.820 0.000) 11.563 7.512 ( -14.911 0.434 0.000) 14.917 8.055 ( -19.783 0.181 0.000) 19.784 8.102 ( 1.817 -0.030 0.000) 1.817 8.321 ( 0.058 -0.222 0.000) 0.229 8.367 ( 0.645 -0.575 0.000) 0.864 8.749 ( -30.527 0.713 0.000) 30.535 8.978 ( -27.574 -1.846 0.000) 27.636 9.297 ( 6.955 2.351 0.000) 7.342 10.310 ( -48.019 0.272 0.000) 48.020 10.446 ( -12.590 -0.810 0.000) 12.616 10.746 ( -8.556 0.512 0.000) 8.572 10.882 ( -9.201 0.783 0.000) 9.234 10.974 ( 1.541 3.163 0.000) 3.519 11.053 ( -2.148 1.128 0.000) 2.426 11.094 ( -1.442 0.080 0.000) 1.444 11.384 ( 4.045 0.461 0.000) 4.071 11.721 ( -14.629 -0.489 0.000) 14.637 12.173 ( -4.006 0.561 0.000) 4.045 12.175 ( -11.296 0.431 0.000) 11.304 12.246 ( -4.375 6.698 0.000) 8.000 13.121 ( -29.576 -26.122 0.000) 39.460 13.460 ( -3.012 -1.001 0.000) 3.174 13.787 ( 9.215 -0.679 0.000) 9.240 14.229 ( 1.630 -0.767 0.000) 1.802 14.328 ( 3.184 -1.271 0.000) 3.429 15.319 ( 12.299 -9.165 0.000) 15.339 15.527 ( 7.706 -1.318 0.000) 7.818 15.778 ( 16.292 -0.602 0.000) 16.304 16.272 ( 8.534 -2.977 0.000) 9.038 16.549 ( 21.869 6.478 0.000) 22.809 ======================= Grid point 28 (21/93) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -5.682 11.982 0.000) 13.261 0.735 ( -11.312 13.531 0.000) 17.637 1.058 ( -19.124 11.685 0.000) 22.411 1.297 ( -0.477 7.206 0.000) 7.222 1.558 ( -8.699 1.543 0.000) 8.835 1.565 ( -2.391 -2.184 0.000) 3.238 1.702 ( -12.280 -3.185 0.000) 12.686 1.780 ( 1.462 -0.623 0.000) 1.589 1.788 ( -0.812 -2.096 0.000) 2.248 2.226 ( -1.428 1.375 0.000) 1.982 2.338 ( -0.933 -0.540 0.000) 1.078 2.353 ( 3.018 -1.950 0.000) 3.593 2.410 ( -0.123 -1.498 0.000) 1.503 2.530 ( 0.698 -0.150 0.000) 0.714 2.562 ( 2.364 0.230 0.000) 2.375 2.655 ( -0.091 -0.863 0.000) 0.868 2.704 ( 1.567 2.313 0.000) 2.794 2.743 ( -3.495 -0.585 0.000) 3.544 2.754 ( 4.009 -3.195 0.000) 5.126 2.868 ( -0.054 -0.184 0.000) 0.192 2.934 ( 1.549 -2.492 0.000) 2.934 3.079 ( 3.613 -7.436 0.000) 8.268 3.245 ( 10.633 0.660 0.000) 10.653 3.269 ( 8.144 0.555 0.000) 8.163 3.707 ( -5.513 -0.162 0.000) 5.515 3.783 ( 15.427 -0.239 0.000) 15.429 4.145 ( 0.588 1.902 0.000) 1.991 4.404 ( -1.605 -1.951 0.000) 2.527 4.468 ( -13.295 4.818 0.000) 14.141 4.495 ( 3.937 0.600 0.000) 3.982 7.280 ( -9.247 0.456 0.000) 9.258 7.711 ( -15.314 -0.127 0.000) 15.314 8.171 ( 4.218 0.016 0.000) 4.218 8.208 ( -13.379 -0.560 0.000) 13.391 8.400 ( -3.479 0.560 0.000) 3.524 8.426 ( 4.636 -0.815 0.000) 4.707 8.551 ( -20.208 -2.308 0.000) 20.340 9.393 ( 1.316 2.480 0.000) 2.807 9.495 ( -31.728 1.193 0.000) 31.750 10.073 ( -33.755 -6.943 0.000) 34.462 10.612 ( -5.776 0.256 0.000) 5.782 10.778 ( -2.950 -0.128 0.000) 2.952 11.006 ( -1.084 3.073 0.000) 3.259 11.022 ( 5.007 2.570 0.000) 5.628 11.070 ( -1.045 -0.067 0.000) 1.047 11.434 ( 0.636 0.105 0.000) 0.645 11.484 ( -9.474 2.343 0.000) 9.759 11.781 ( -33.058 -5.899 0.000) 33.580 12.045 ( -6.038 -0.026 0.000) 6.038 12.119 ( -1.745 0.620 0.000) 1.852 13.009 ( -3.521 -9.881 0.000) 10.490 13.425 ( -1.563 -0.644 0.000) 1.691 13.925 ( 4.924 -1.224 0.000) 5.074 14.198 ( -2.835 -0.372 0.000) 2.859 14.427 ( 4.477 -0.545 0.000) 4.511 15.588 ( 7.242 -11.578 0.000) 13.657 15.678 ( 6.052 -2.382 0.000) 6.504 16.008 ( 8.493 -0.763 0.000) 8.527 16.411 ( 4.287 -2.619 0.000) 5.023 16.912 ( 21.567 5.461 0.000) 22.248 ======================= Grid point 29 (22/93) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -0.000 12.166 0.000) 12.166 0.513 ( -0.000 14.871 0.000) 14.871 0.752 ( -0.000 22.074 0.000) 22.074 1.239 ( -0.000 8.240 0.000) 8.240 1.442 ( -0.000 2.070 0.000) 2.070 1.549 ( 0.000 -4.978 0.000) 4.978 1.614 ( 0.000 -1.285 0.000) 1.285 1.793 ( 0.000 -1.286 0.000) 1.286 1.800 ( -0.000 0.462 0.000) 0.462 2.186 ( -0.000 2.106 0.000) 2.106 2.333 ( 0.000 -0.507 0.000) 0.507 2.397 ( 0.000 -2.096 0.000) 2.096 2.430 ( 0.000 -2.815 0.000) 2.815 2.535 ( -0.000 0.451 0.000) 0.451 2.592 ( -0.000 0.360 0.000) 0.360 2.655 ( -0.000 0.453 0.000) 0.453 2.694 ( -0.000 2.829 0.000) 2.829 2.707 ( 0.000 -0.931 0.000) 0.931 2.837 ( 0.000 -5.239 0.000) 5.239 2.856 ( -0.000 0.680 0.000) 0.680 2.962 ( 0.000 -1.363 0.000) 1.363 3.183 ( 0.000 -8.932 0.000) 8.932 3.270 ( -0.000 5.449 0.000) 5.449 3.496 ( 0.000 -6.871 0.000) 6.871 3.642 ( 0.000 -0.613 0.000) 0.613 3.986 ( 0.000 -0.697 0.000) 0.697 4.140 ( -0.000 1.245 0.000) 1.245 4.247 ( -0.000 5.265 0.000) 5.265 4.406 ( 0.000 -1.754 0.000) 1.754 4.537 ( -0.000 1.435 0.000) 1.435 7.190 ( -0.000 0.306 0.000) 0.306 7.564 ( 0.000 -0.205 0.000) 0.205 8.047 ( 0.000 -0.586 0.000) 0.586 8.275 ( 0.000 -0.254 0.000) 0.254 8.325 ( 0.000 -0.387 0.000) 0.387 8.395 ( 0.000 -0.039 0.000) 0.039 8.500 ( 0.000 -0.846 0.000) 0.846 9.108 ( -0.000 0.945 0.000) 0.945 9.442 ( -0.000 2.807 0.000) 2.807 9.565 ( -0.000 0.652 0.000) 0.652 10.554 ( -0.000 0.223 0.000) 0.223 10.754 ( 0.000 -0.193 0.000) 0.193 10.969 ( -0.000 3.569 0.000) 3.569 11.060 ( 0.000 -0.136 0.000) 0.136 11.085 ( 0.000 -0.454 0.000) 0.454 11.318 ( -0.000 5.022 0.000) 5.022 11.441 ( -0.000 0.469 0.000) 0.469 11.458 ( -0.000 0.600 0.000) 0.600 11.992 ( -0.000 0.056 0.000) 0.056 12.098 ( -0.000 0.667 0.000) 0.667 13.024 ( 0.000 -2.203 0.000) 2.203 13.415 ( 0.000 -0.434 0.000) 0.434 13.981 ( 0.000 -1.239 0.000) 1.239 14.171 ( 0.000 -0.163 0.000) 0.163 14.474 ( 0.000 -0.679 0.000) 0.679 15.745 ( 0.000 -10.228 0.000) 10.228 15.759 ( 0.000 -2.783 0.000) 2.783 16.100 ( 0.000 -2.363 0.000) 2.363 16.470 ( 0.000 -2.269 0.000) 2.269 17.131 ( -0.000 0.790 0.000) 0.790 ======================= Grid point 34 (23/93) ======================= q-point: (-0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -10.817 -0.000 0.000) 10.817 1.366 ( -7.616 -0.000 0.000) 7.616 1.552 ( 7.291 0.000 0.000) 7.291 1.599 ( 3.925 0.000 0.000) 3.925 1.625 ( 8.633 0.000 0.000) 8.633 1.720 ( 0.598 0.000 0.000) 0.598 1.897 ( -14.259 -0.000 0.000) 14.259 1.993 ( 4.673 0.000 0.000) 4.673 2.099 ( -10.057 -0.000 0.000) 10.057 2.230 ( -0.084 -0.000 0.000) 0.084 2.322 ( 3.245 0.000 0.000) 3.245 2.337 ( 1.362 0.000 0.000) 1.362 2.432 ( -5.182 -0.000 0.000) 5.182 2.451 ( 0.901 0.000 0.000) 0.901 2.458 ( -2.379 -0.000 0.000) 2.379 2.530 ( -2.119 -0.000 0.000) 2.119 2.593 ( 3.174 0.000 0.000) 3.174 2.618 ( 4.709 0.000 0.000) 4.709 2.737 ( -2.928 -0.000 0.000) 2.928 2.807 ( -0.705 -0.000 0.000) 0.705 2.843 ( 1.354 0.000 0.000) 1.354 2.882 ( 4.611 0.000 0.000) 4.611 2.888 ( 0.418 0.000 0.000) 0.418 3.030 ( 5.814 0.000 0.000) 5.814 3.218 ( -10.734 -0.000 0.000) 10.734 3.719 ( 6.867 0.000 0.000) 6.867 4.303 ( 2.283 0.000 0.000) 2.283 4.374 ( -3.334 -0.000 0.000) 3.334 4.568 ( -4.676 -0.000 0.000) 4.676 4.986 ( 1.447 0.000 0.000) 1.447 8.001 ( -9.960 -0.000 0.000) 9.960 8.147 ( -3.133 -0.000 0.000) 3.133 8.252 ( 2.854 0.000 0.000) 2.854 8.363 ( 4.163 0.000 0.000) 4.163 8.606 ( -13.261 -0.000 0.000) 13.261 9.125 ( 9.227 0.000 0.000) 9.227 9.871 ( -21.522 -0.000 0.000) 21.522 9.952 ( -19.371 -0.000 0.000) 19.371 10.642 ( -4.303 -0.000 0.000) 4.303 10.879 ( -5.636 -0.000 0.000) 5.636 11.016 ( -3.487 -0.000 0.000) 3.487 11.108 ( 1.857 0.000 0.000) 1.857 11.125 ( -5.668 -0.000 0.000) 5.668 11.160 ( -3.226 -0.000 0.000) 3.226 11.213 ( 4.913 0.000 0.000) 4.913 11.722 ( 26.880 0.000 0.000) 26.880 12.325 ( -18.099 -0.000 0.000) 18.099 12.391 ( -36.572 -0.000 0.000) 36.572 12.479 ( -11.189 -0.000 0.000) 11.189 12.611 ( -7.675 -0.000 0.000) 7.675 13.379 ( 7.277 0.000 0.000) 7.277 13.599 ( -1.120 -0.000 0.000) 1.120 13.602 ( -3.498 -0.000 0.000) 3.498 13.915 ( 13.684 0.000 0.000) 13.684 14.557 ( -28.404 -0.000 0.000) 28.404 14.795 ( 6.930 0.000 0.000) 6.930 14.904 ( 25.052 0.000 0.000) 25.052 15.534 ( -9.461 -0.000 0.000) 9.461 15.792 ( 13.232 0.000 0.000) 13.232 16.054 ( 12.293 0.000 0.000) 12.293 ======================= Grid point 36 (24/93) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -7.592 1.398 0.000) 7.719 1.259 ( -2.397 4.274 0.000) 4.900 1.620 ( 1.691 -0.258 0.000) 1.710 1.644 ( -7.010 5.476 0.000) 8.895 1.670 ( 1.421 -0.235 0.000) 1.440 1.709 ( -1.464 -2.103 0.000) 2.562 1.741 ( -1.766 -3.828 0.000) 4.215 1.896 ( -13.857 -1.001 0.000) 13.893 2.110 ( 6.968 -1.060 0.000) 7.048 2.167 ( -12.323 0.145 0.000) 12.324 2.243 ( -0.377 0.167 0.000) 0.413 2.353 ( -1.139 -0.701 0.000) 1.337 2.442 ( 2.833 2.098 0.000) 3.525 2.473 ( 1.483 0.106 0.000) 1.487 2.495 ( 5.950 -0.679 0.000) 5.989 2.508 ( -0.524 -0.854 0.000) 1.002 2.594 ( -2.896 -1.910 0.000) 3.469 2.677 ( 0.622 -0.589 0.000) 0.857 2.708 ( 0.067 -0.170 0.000) 0.183 2.822 ( 2.344 0.239 0.000) 2.356 2.883 ( 2.340 -0.000 0.000) 2.340 2.898 ( -1.321 -0.370 0.000) 1.372 2.913 ( 2.955 -0.795 0.000) 3.061 3.116 ( 0.540 0.534 0.000) 0.760 3.216 ( 13.163 -0.182 0.000) 13.165 3.819 ( 3.680 0.296 0.000) 3.692 4.282 ( -5.270 1.455 0.000) 5.467 4.353 ( 2.415 -1.115 0.000) 2.660 4.480 ( -4.934 -0.669 0.000) 4.979 4.952 ( -4.736 1.352 0.000) 4.925 7.787 ( -13.745 -0.074 0.000) 13.745 8.102 ( -1.541 0.038 0.000) 1.542 8.296 ( 1.856 -0.149 0.000) 1.862 8.338 ( -8.401 0.237 0.000) 8.405 8.414 ( -6.898 0.002 0.000) 6.898 9.232 ( 4.433 0.656 0.000) 4.482 9.363 ( -32.451 0.397 0.000) 32.453 9.484 ( -29.203 -0.289 0.000) 29.205 10.595 ( -3.501 0.379 0.000) 3.522 10.765 ( -8.142 -0.354 0.000) 8.150 10.971 ( -9.127 0.399 0.000) 9.136 10.979 ( -1.049 0.666 0.000) 1.243 11.104 ( -2.335 0.276 0.000) 2.352 11.115 ( -0.914 -0.245 0.000) 0.946 11.308 ( 5.184 0.203 0.000) 5.188 11.522 ( -51.683 0.447 0.000) 51.685 11.997 ( -17.396 -0.354 0.000) 17.399 12.177 ( 20.260 2.686 0.000) 20.437 12.309 ( -4.120 0.929 0.000) 4.224 12.405 ( -12.942 0.065 0.000) 12.942 13.351 ( -34.127 -6.267 0.000) 34.697 13.511 ( -4.716 -0.258 0.000) 4.723 13.585 ( 11.877 -0.128 0.000) 11.877 14.130 ( 8.978 1.774 0.000) 9.151 14.246 ( -3.250 -3.847 0.000) 5.036 14.973 ( 10.979 -1.599 0.000) 11.095 15.383 ( 24.507 -0.737 0.000) 24.518 15.435 ( -0.507 0.039 0.000) 0.508 16.027 ( 11.836 -1.083 0.000) 11.885 16.303 ( 16.288 1.878 0.000) 16.396 ======================= Grid point 37 (25/93) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -5.400 4.763 0.000) 7.201 1.181 ( -0.823 11.562 0.000) 11.591 1.496 ( -3.437 6.544 0.000) 7.391 1.556 ( -21.619 -0.914 0.000) 21.639 1.597 ( -3.704 0.181 0.000) 3.708 1.674 ( -4.431 -3.112 0.000) 5.414 1.714 ( 2.026 -1.476 0.000) 2.507 1.738 ( -1.858 -2.934 0.000) 3.473 1.903 ( -16.550 -2.088 0.000) 16.682 2.238 ( 5.683 -0.939 0.000) 5.761 2.253 ( 1.076 0.604 0.000) 1.234 2.340 ( -0.554 -0.729 0.000) 0.915 2.443 ( -1.935 2.644 0.000) 3.276 2.501 ( 1.463 0.006 0.000) 1.463 2.521 ( 1.054 -1.275 0.000) 1.654 2.590 ( 1.040 -4.556 0.000) 4.673 2.613 ( 5.541 -0.415 0.000) 5.557 2.693 ( 2.293 0.474 0.000) 2.342 2.744 ( 2.392 -1.493 0.000) 2.820 2.852 ( -2.788 -0.885 0.000) 2.925 2.862 ( 1.865 0.603 0.000) 1.960 2.939 ( 2.579 -1.040 0.000) 2.781 3.007 ( 5.994 -2.216 0.000) 6.390 3.198 ( 7.687 1.517 0.000) 7.836 3.485 ( 15.709 -0.351 0.000) 15.713 3.817 ( -4.103 0.472 0.000) 4.130 4.194 ( -1.937 1.527 0.000) 2.466 4.409 ( -3.552 -1.255 0.000) 3.767 4.417 ( 3.883 -0.652 0.000) 3.937 4.792 ( -10.806 2.648 0.000) 11.126 7.518 ( -14.706 0.249 0.000) 14.708 8.057 ( -20.119 0.103 0.000) 20.120 8.102 ( 1.833 -0.042 0.000) 1.833 8.317 ( -0.126 -0.179 0.000) 0.219 8.360 ( 0.396 -0.315 0.000) 0.506 8.759 ( -30.810 0.424 0.000) 30.813 8.957 ( -27.844 -0.843 0.000) 27.856 9.328 ( 7.195 1.473 0.000) 7.344 10.312 ( -46.689 0.054 0.000) 46.689 10.437 ( -15.391 -0.321 0.000) 15.394 10.754 ( -9.088 0.374 0.000) 9.095 10.892 ( -11.770 0.466 0.000) 11.779 11.017 ( 3.243 1.994 0.000) 3.807 11.071 ( -0.665 0.976 0.000) 1.181 11.094 ( -1.465 -0.023 0.000) 1.465 11.390 ( 3.834 0.252 0.000) 3.843 11.716 ( -13.338 -0.216 0.000) 13.340 12.179 ( -10.193 0.215 0.000) 10.196 12.180 ( -5.044 0.292 0.000) 5.053 12.364 ( -18.577 7.999 0.000) 20.226 12.780 ( -14.895 -16.902 0.000) 22.529 13.447 ( -2.743 -0.608 0.000) 2.810 13.777 ( 8.660 -0.485 0.000) 8.673 14.220 ( 0.652 -0.390 0.000) 0.760 14.314 ( 5.984 -0.545 0.000) 6.009 15.198 ( 10.012 -5.560 0.000) 11.452 15.509 ( 6.823 -0.873 0.000) 6.878 15.769 ( 16.930 -0.440 0.000) 16.936 16.231 ( 8.836 -1.942 0.000) 9.047 16.625 ( 20.927 3.142 0.000) 21.162 ======================= Grid point 38 (26/93) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -3.465 9.079 0.000) 9.718 0.925 ( -18.390 9.885 0.000) 20.879 1.242 ( -5.679 10.338 0.000) 11.795 1.415 ( 0.667 7.298 0.000) 7.329 1.531 ( -5.961 -1.819 0.000) 6.232 1.579 ( -6.523 1.007 0.000) 6.601 1.641 ( -10.807 -3.540 0.000) 11.372 1.742 ( -0.762 -3.593 0.000) 3.673 1.771 ( 2.131 -1.068 0.000) 2.384 2.253 ( -0.541 1.688 0.000) 1.773 2.325 ( 2.825 -1.478 0.000) 3.188 2.333 ( -0.570 -0.243 0.000) 0.619 2.387 ( -2.275 -1.194 0.000) 2.570 2.523 ( 0.740 -0.662 0.000) 0.993 2.564 ( 2.671 -0.080 0.000) 2.672 2.639 ( 1.342 -1.284 0.000) 1.857 2.712 ( 4.025 -1.281 0.000) 4.224 2.736 ( 2.171 1.289 0.000) 2.525 2.741 ( -3.091 0.388 0.000) 3.115 2.872 ( 1.705 -4.881 0.000) 5.170 2.874 ( 0.132 0.629 0.000) 0.643 2.996 ( 2.082 -2.838 0.000) 3.519 3.183 ( 9.703 -5.220 0.000) 11.018 3.316 ( 5.976 2.747 0.000) 6.577 3.701 ( -6.695 -0.424 0.000) 6.709 3.779 ( 15.497 -0.314 0.000) 15.500 4.179 ( 0.859 2.076 0.000) 2.246 4.374 ( -1.555 -1.629 0.000) 2.253 4.502 ( 4.936 0.305 0.000) 4.946 4.536 ( -13.681 3.410 0.000) 14.099 7.287 ( -9.392 0.364 0.000) 9.399 7.709 ( -15.464 -0.107 0.000) 15.464 8.172 ( 3.532 0.109 0.000) 3.534 8.199 ( -12.555 -0.615 0.000) 12.570 8.408 ( -4.023 0.416 0.000) 4.044 8.415 ( 4.638 -0.581 0.000) 4.674 8.523 ( -19.469 -1.279 0.000) 19.511 9.433 ( -0.162 2.467 0.000) 2.473 9.509 ( -30.007 0.405 0.000) 30.010 9.998 ( -33.022 -2.852 0.000) 33.145 10.616 ( -5.835 0.227 0.000) 5.840 10.777 ( -3.009 -0.012 0.000) 3.009 11.055 ( 0.275 2.760 0.000) 2.773 11.056 ( 2.332 1.584 0.000) 2.819 11.069 ( -1.153 0.011 0.000) 1.153 11.436 ( 0.815 0.099 0.000) 0.821 11.524 ( -6.310 2.368 0.000) 6.740 11.720 ( -29.683 -2.234 0.000) 29.767 12.046 ( -5.903 0.058 0.000) 5.903 12.128 ( -1.623 0.507 0.000) 1.701 12.899 ( 5.918 -4.654 0.000) 7.529 13.416 ( -1.281 -0.518 0.000) 1.382 13.905 ( 4.533 -1.204 0.000) 4.690 14.193 ( -2.443 -0.319 0.000) 2.464 14.421 ( 4.418 -0.222 0.000) 4.424 15.410 ( 6.084 -9.743 0.000) 11.486 15.641 ( 5.299 -2.057 0.000) 5.684 16.002 ( 8.458 -0.089 0.000) 8.458 16.371 ( 4.610 -2.207 0.000) 5.111 16.974 ( 17.987 2.713 0.000) 18.190 ======================= Grid point 39 (27/93) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 10.081 0.000) 10.081 0.732 ( -0.000 12.210 0.000) 12.210 1.082 ( -0.000 18.841 0.000) 18.841 1.380 ( -0.000 8.876 0.000) 8.876 1.462 ( 0.000 -5.632 0.000) 5.632 1.475 ( -0.000 2.013 0.000) 2.013 1.591 ( 0.000 -1.477 0.000) 1.477 1.761 ( 0.000 -2.823 0.000) 2.823 1.800 ( 0.000 -0.574 0.000) 0.574 2.222 ( -0.000 2.302 0.000) 2.302 2.329 ( -0.000 0.081 0.000) 0.081 2.365 ( 0.000 -1.899 0.000) 1.899 2.385 ( 0.000 -2.749 0.000) 2.749 2.535 ( 0.000 -0.384 0.000) 0.384 2.598 ( -0.000 0.346 0.000) 0.346 2.657 ( 0.000 -0.278 0.000) 0.278 2.697 ( 0.000 -0.172 0.000) 0.172 2.737 ( -0.000 2.398 0.000) 2.398 2.771 ( 0.000 -2.792 0.000) 2.792 2.867 ( -0.000 0.641 0.000) 0.641 2.925 ( 0.000 -3.648 0.000) 3.648 3.055 ( 0.000 -6.134 0.000) 6.134 3.346 ( -0.000 3.664 0.000) 3.664 3.366 ( 0.000 -8.520 0.000) 8.520 3.632 ( 0.000 -0.631 0.000) 0.631 3.975 ( 0.000 -0.690 0.000) 0.690 4.170 ( -0.000 2.350 0.000) 2.350 4.325 ( -0.000 4.170 0.000) 4.170 4.377 ( 0.000 -1.595 0.000) 1.595 4.556 ( -0.000 0.861 0.000) 0.861 7.195 ( -0.000 0.311 0.000) 0.311 7.561 ( 0.000 -0.207 0.000) 0.207 8.037 ( 0.000 -0.583 0.000) 0.583 8.271 ( 0.000 -0.306 0.000) 0.306 8.319 ( 0.000 -0.391 0.000) 0.391 8.394 ( 0.000 -0.048 0.000) 0.048 8.487 ( 0.000 -0.709 0.000) 0.709 9.123 ( -0.000 0.947 0.000) 0.947 9.487 ( -0.000 2.618 0.000) 2.618 9.576 ( -0.000 0.647 0.000) 0.647 10.558 ( -0.000 0.230 0.000) 0.230 10.752 ( 0.000 -0.073 0.000) 0.073 11.030 ( -0.000 3.893 0.000) 3.893 11.058 ( 0.000 -0.132 0.000) 0.132 11.078 ( 0.000 -0.461 0.000) 0.461 11.396 ( -0.000 4.104 0.000) 4.104 11.449 ( -0.000 0.476 0.000) 0.476 11.473 ( -0.000 1.489 0.000) 1.489 11.993 ( -0.000 0.065 0.000) 0.065 12.109 ( -0.000 0.653 0.000) 0.653 12.983 ( 0.000 -2.773 0.000) 2.773 13.407 ( 0.000 -0.438 0.000) 0.438 13.958 ( 0.000 -1.520 0.000) 1.520 14.168 ( 0.000 -0.164 0.000) 0.164 14.465 ( 0.000 -0.433 0.000) 0.433 15.557 ( 0.000 -12.008 0.000) 12.008 15.712 ( 0.000 -2.827 0.000) 2.827 16.081 ( 0.000 -0.354 0.000) 0.354 16.431 ( 0.000 -2.345 0.000) 2.345 17.146 ( -0.000 1.064 0.000) 1.064 ======================= Grid point 46 (28/93) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -4.404 -0.000 0.000) 4.404 1.292 ( 3.068 0.000 0.000) 3.068 1.531 ( -23.979 -0.000 0.000) 23.979 1.587 ( -1.934 -0.000 0.000) 1.934 1.600 ( -3.813 -0.000 0.000) 3.813 1.611 ( -4.495 -0.000 0.000) 4.495 1.701 ( 2.342 0.000 0.000) 2.342 1.714 ( -2.160 -0.000 0.000) 2.160 1.886 ( -17.237 -0.000 0.000) 17.237 2.230 ( 5.801 0.000 0.000) 5.801 2.258 ( 1.235 0.000 0.000) 1.235 2.333 ( -0.370 -0.000 0.000) 0.370 2.477 ( -6.285 -0.000 0.000) 6.285 2.502 ( 0.238 0.000 0.000) 0.238 2.509 ( 2.427 0.000 0.000) 2.427 2.542 ( 5.308 0.000 0.000) 5.308 2.611 ( 5.843 0.000 0.000) 5.843 2.696 ( 2.318 0.000 0.000) 2.318 2.732 ( 2.523 0.000 0.000) 2.523 2.846 ( -3.743 -0.000 0.000) 3.743 2.867 ( 1.899 0.000 0.000) 1.899 2.931 ( 2.480 0.000 0.000) 2.480 2.988 ( 5.393 0.000 0.000) 5.393 3.210 ( 7.841 0.000 0.000) 7.841 3.482 ( 15.747 0.000 0.000) 15.747 3.821 ( -4.404 -0.000 0.000) 4.404 4.207 ( -2.080 -0.000 0.000) 2.080 4.398 ( -3.535 -0.000 0.000) 3.535 4.411 ( 4.338 0.000 0.000) 4.338 4.814 ( -10.903 -0.000 0.000) 10.903 7.520 ( -14.623 -0.000 0.000) 14.623 8.058 ( -20.245 -0.000 0.000) 20.245 8.101 ( 1.841 0.000 0.000) 1.841 8.316 ( -0.187 -0.000 0.000) 0.187 8.357 ( 0.302 0.000 0.000) 0.302 8.762 ( -30.909 -0.000 0.000) 30.909 8.950 ( -27.947 -0.000 0.000) 27.947 9.341 ( 7.301 0.000 0.000) 7.301 10.313 ( -46.165 -0.000 0.000) 46.165 10.435 ( -16.335 -0.000 0.000) 16.335 10.757 ( -9.280 -0.000 0.000) 9.280 10.896 ( -12.618 -0.000 0.000) 12.618 11.033 ( 3.652 0.000 0.000) 3.652 11.079 ( -0.052 -0.000 0.000) 0.052 11.093 ( -1.487 -0.000 0.000) 1.487 11.392 ( 3.727 0.000 0.000) 3.727 11.714 ( -12.754 -0.000 0.000) 12.754 12.181 ( -11.465 -0.000 0.000) 11.465 12.182 ( -3.779 -0.000 0.000) 3.779 12.472 ( -50.173 -0.000 0.000) 50.173 12.602 ( 17.389 0.000 0.000) 17.389 13.442 ( -2.644 -0.000 0.000) 2.644 13.773 ( 8.421 0.000 0.000) 8.421 14.217 ( 0.178 0.000 0.000) 0.178 14.310 ( 7.003 0.000 0.000) 7.003 15.152 ( 9.088 0.000 0.000) 9.088 15.501 ( 6.466 0.000 0.000) 6.466 15.765 ( 17.241 0.000 0.000) 17.241 16.214 ( 8.973 0.000 0.000) 8.973 16.650 ( 20.512 0.000 0.000) 20.512 ======================= Grid point 48 (29/93) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -2.242 3.514 0.000) 4.169 1.042 ( -23.592 4.207 0.000) 23.964 1.347 ( 1.870 2.193 0.000) 2.882 1.518 ( -0.887 4.793 0.000) 4.875 1.533 ( -6.130 2.545 0.000) 6.637 1.588 ( -2.090 0.060 0.000) 2.091 1.595 ( -10.322 -2.450 0.000) 10.609 1.681 ( -1.606 -3.264 0.000) 3.637 1.747 ( 1.697 -1.428 0.000) 2.218 2.276 ( 0.555 0.948 0.000) 1.098 2.308 ( 2.548 -0.587 0.000) 2.615 2.326 ( -0.467 -0.482 0.000) 0.672 2.377 ( -3.826 -0.161 0.000) 3.829 2.513 ( 0.613 -0.466 0.000) 0.770 2.562 ( 3.152 -0.095 0.000) 3.154 2.620 ( 2.508 -0.762 0.000) 2.621 2.705 ( 4.063 0.024 0.000) 4.063 2.749 ( 2.742 0.346 0.000) 2.763 2.757 ( -2.703 1.654 0.000) 3.169 2.801 ( 0.881 -3.476 0.000) 3.586 2.882 ( -0.021 0.318 0.000) 0.318 2.972 ( 1.642 -0.637 0.000) 1.761 3.114 ( 6.912 -2.617 0.000) 7.391 3.346 ( 6.341 0.985 0.000) 6.417 3.696 ( -7.185 -0.192 0.000) 7.187 3.775 ( 15.528 -0.136 0.000) 15.529 4.204 ( 1.081 0.899 0.000) 1.406 4.356 ( -1.484 -0.634 0.000) 1.614 4.505 ( 5.389 0.051 0.000) 5.389 4.573 ( -13.874 1.215 0.000) 13.927 7.291 ( -9.471 0.138 0.000) 9.472 7.707 ( -15.554 -0.042 0.000) 15.554 8.175 ( 5.027 0.152 0.000) 5.029 8.190 ( -14.002 -0.368 0.000) 14.007 8.409 ( 4.644 -0.207 0.000) 4.649 8.413 ( -4.282 0.165 0.000) 4.285 8.509 ( -19.200 -0.416 0.000) 19.205 9.466 ( 3.286 1.422 0.000) 3.581 9.508 ( -33.320 -0.347 0.000) 33.322 9.971 ( -32.085 -0.766 0.000) 32.095 10.619 ( -5.892 0.092 0.000) 5.893 10.777 ( -3.054 0.011 0.000) 3.054 11.067 ( -1.174 -0.013 0.000) 1.174 11.072 ( 0.620 0.495 0.000) 0.794 11.089 ( 1.027 1.154 0.000) 1.545 11.437 ( 1.112 0.045 0.000) 1.113 11.552 ( -4.462 1.022 0.000) 4.578 11.699 ( -27.754 -0.578 0.000) 27.760 12.046 ( -5.892 0.029 0.000) 5.892 12.134 ( -1.571 0.192 0.000) 1.583 12.850 ( 8.660 -1.563 0.000) 8.800 13.410 ( -1.112 -0.197 0.000) 1.129 13.890 ( 4.225 -0.527 0.000) 4.258 14.189 ( -2.198 -0.127 0.000) 2.202 14.419 ( 4.357 -0.042 0.000) 4.357 15.298 ( 5.182 -3.737 0.000) 6.389 15.618 ( 4.912 -0.781 0.000) 4.974 16.002 ( 8.673 0.023 0.000) 8.673 16.346 ( 4.832 -0.868 0.000) 4.910 17.003 ( 16.538 0.894 0.000) 16.562 ======================= Grid point 49 (30/93) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -0.000 6.387 0.000) 6.387 0.893 ( -0.000 7.354 0.000) 7.354 1.343 ( -0.000 13.212 0.000) 13.212 1.379 ( 0.000 -4.281 0.000) 4.281 1.502 ( -0.000 1.218 0.000) 1.218 1.513 ( -0.000 7.490 0.000) 7.490 1.566 ( 0.000 -1.820 0.000) 1.820 1.704 ( 0.000 -4.237 0.000) 4.237 1.779 ( 0.000 -1.965 0.000) 1.965 2.258 ( -0.000 2.199 0.000) 2.199 2.336 ( -0.000 0.682 0.000) 0.682 2.338 ( 0.000 -1.298 0.000) 1.298 2.344 ( 0.000 -2.422 0.000) 2.422 2.525 ( 0.000 -0.761 0.000) 0.761 2.602 ( -0.000 0.207 0.000) 0.207 2.648 ( 0.000 -0.734 0.000) 0.734 2.703 ( -0.000 0.874 0.000) 0.874 2.747 ( 0.000 -0.452 0.000) 0.452 2.767 ( -0.000 1.374 0.000) 1.374 2.851 ( 0.000 -4.679 0.000) 4.679 2.876 ( -0.000 0.378 0.000) 0.378 2.997 ( 0.000 -1.716 0.000) 1.716 3.233 ( 0.000 -6.855 0.000) 6.855 3.396 ( -0.000 2.136 0.000) 2.136 3.624 ( 0.000 -0.400 0.000) 0.400 3.965 ( 0.000 -0.423 0.000) 0.423 4.206 ( -0.000 1.789 0.000) 1.789 4.349 ( 0.000 -0.872 0.000) 0.872 4.385 ( -0.000 2.172 0.000) 2.172 4.565 ( -0.000 0.293 0.000) 0.293 7.199 ( -0.000 0.195 0.000) 0.195 7.558 ( 0.000 -0.129 0.000) 0.129 8.030 ( 0.000 -0.358 0.000) 0.358 8.266 ( 0.000 -0.227 0.000) 0.227 8.314 ( 0.000 -0.243 0.000) 0.243 8.394 ( 0.000 -0.023 0.000) 0.023 8.478 ( 0.000 -0.386 0.000) 0.386 9.136 ( -0.000 0.586 0.000) 0.586 9.521 ( -0.000 1.539 0.000) 1.539 9.584 ( -0.000 0.397 0.000) 0.397 10.561 ( -0.000 0.145 0.000) 0.145 10.751 ( 0.000 -0.005 0.000) 0.005 11.056 ( 0.000 -0.080 0.000) 0.080 11.072 ( 0.000 -0.288 0.000) 0.288 11.085 ( -0.000 2.602 0.000) 2.602 11.436 ( -0.000 1.156 0.000) 1.156 11.455 ( -0.000 0.297 0.000) 0.297 11.508 ( -0.000 2.338 0.000) 2.338 11.993 ( -0.000 0.044 0.000) 0.044 12.118 ( -0.000 0.397 0.000) 0.397 12.942 ( 0.000 -2.036 0.000) 2.036 13.402 ( 0.000 -0.272 0.000) 0.272 13.936 ( 0.000 -1.139 0.000) 1.139 14.166 ( 0.000 -0.102 0.000) 0.102 14.460 ( 0.000 -0.160 0.000) 0.160 15.393 ( 0.000 -7.637 0.000) 7.637 15.674 ( 0.000 -1.719 0.000) 1.719 16.080 ( -0.000 0.134 0.000) 0.134 16.400 ( 0.000 -1.495 0.000) 1.495 17.162 ( -0.000 0.765 0.000) 0.765 ======================= Grid point 59 (31/93) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.000 0.000 0.000) 0.000 0.954 ( -0.000 0.000 0.000) 0.000 1.341 ( -0.000 0.000 0.000) 0.000 1.475 ( -0.000 0.000 0.000) 0.000 1.512 ( -0.000 0.000 0.000) 0.000 1.534 ( -0.000 0.000 0.000) 0.000 1.602 ( 0.000 -0.000 0.000) 0.000 1.640 ( -0.000 0.000 0.000) 0.000 1.756 ( 0.000 -0.000 0.000) 0.000 2.284 ( 0.000 -0.000 0.000) 0.000 2.316 ( -0.000 0.000 0.000) 0.000 2.327 ( -0.000 0.000 0.000) 0.000 2.344 ( -0.000 0.000 0.000) 0.000 2.517 ( -0.000 0.000 0.000) 0.000 2.604 ( -0.000 0.000 0.000) 0.000 2.641 ( -0.000 0.000 0.000) 0.000 2.715 ( -0.000 0.000 0.000) 0.000 2.745 ( -0.000 0.000 0.000) 0.000 2.779 ( -0.000 0.000 0.000) 0.000 2.807 ( -0.000 0.000 0.000) 0.000 2.879 ( -0.000 0.000 0.000) 0.000 2.985 ( -0.000 0.000 0.000) 0.000 3.173 ( -0.000 0.000 0.000) 0.000 3.413 ( -0.000 0.000 0.000) 0.000 3.620 ( -0.000 0.000 0.000) 0.000 3.962 ( -0.000 0.000 0.000) 0.000 4.221 ( -0.000 0.000 0.000) 0.000 4.341 ( -0.000 0.000 0.000) 0.000 4.403 ( -0.000 0.000 0.000) 0.000 4.567 ( -0.000 0.000 0.000) 0.000 7.201 ( -0.000 0.000 0.000) 0.000 7.557 ( -0.000 0.000 0.000) 0.000 8.027 ( -0.000 0.000 0.000) 0.000 8.264 ( -0.000 0.000 0.000) 0.000 8.312 ( -0.000 0.000 0.000) 0.000 8.393 ( -0.000 0.000 0.000) 0.000 8.475 ( -0.000 0.000 0.000) 0.000 9.141 ( -0.000 0.000 0.000) 0.000 9.534 ( -0.000 0.000 0.000) 0.000 9.588 ( -0.000 0.000 0.000) 0.000 10.562 ( -0.000 0.000 0.000) 0.000 10.751 ( -0.000 0.000 0.000) 0.000 11.056 ( -0.000 0.000 0.000) 0.000 11.069 ( -0.000 0.000 0.000) 0.000 11.107 ( -0.000 0.000 0.000) 0.000 11.444 ( -0.000 0.000 0.000) 0.000 11.457 ( -0.000 0.000 0.000) 0.000 11.529 ( -0.000 0.000 0.000) 0.000 11.994 ( -0.000 0.000 0.000) 0.000 12.121 ( -0.000 0.000 0.000) 0.000 12.925 ( -0.000 0.000 0.000) 0.000 13.399 ( -0.000 0.000 0.000) 0.000 13.926 ( -0.000 0.000 0.000) 0.000 14.165 ( -0.000 0.000 0.000) 0.000 14.459 ( -0.000 0.000 0.000) 0.000 15.330 ( -0.000 0.000 0.000) 0.000 15.660 ( -0.000 0.000 0.000) 0.000 16.082 ( -0.000 0.000 0.000) 0.000 16.387 ( -0.000 0.000 0.000) 0.000 17.168 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 107 (32/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 0.000 0.000 16.442) 16.442 0.341 ( 0.000 0.000 17.884) 17.884 0.754 ( 0.000 0.000 34.986) 34.986 1.075 ( 0.000 0.000 -0.451) 0.451 1.191 ( 0.000 0.000 -15.631) 15.631 1.709 ( 0.000 0.000 6.872) 6.872 1.748 ( 0.000 0.000 -1.067) 1.067 1.843 ( 0.000 0.000 14.619) 14.619 1.956 ( 0.000 0.000 3.076) 3.076 2.157 ( 0.000 0.000 1.163) 1.163 2.313 ( 0.000 0.000 -0.899) 0.899 2.346 ( 0.000 0.000 -0.071) 0.071 2.408 ( 0.000 0.000 -3.826) 3.826 2.436 ( 0.000 0.000 -4.119) 4.119 2.524 ( 0.000 0.000 -15.114) 15.114 2.580 ( 0.000 0.000 -5.261) 5.261 2.643 ( 0.000 0.000 4.356) 4.356 2.827 ( 0.000 0.000 -1.699) 1.699 2.897 ( 0.000 0.000 5.146) 5.146 2.945 ( 0.000 0.000 -2.728) 2.728 3.037 ( 0.000 0.000 -2.958) 2.958 3.079 ( 0.000 0.000 -0.653) 0.653 3.177 ( 0.000 0.000 3.257) 3.257 3.348 ( 0.000 0.000 -2.391) 2.391 3.683 ( 0.000 0.000 3.175) 3.175 3.963 ( 0.000 0.000 -3.768) 3.768 4.127 ( 0.000 0.000 1.166) 1.166 4.275 ( 0.000 0.000 -2.065) 2.065 4.450 ( 0.000 0.000 1.135) 1.135 4.498 ( 0.000 0.000 -0.384) 0.384 7.307 ( 0.000 0.000 11.813) 11.813 7.572 ( 0.000 0.000 0.430) 0.430 8.058 ( 0.000 0.000 0.718) 0.718 8.266 ( 0.000 0.000 -1.442) 1.442 8.270 ( 0.000 0.000 -4.997) 4.997 8.336 ( 0.000 0.000 -0.330) 0.330 8.758 ( 0.000 0.000 19.516) 19.516 9.112 ( 0.000 0.000 2.328) 2.328 9.482 ( 0.000 0.000 -7.468) 7.468 9.979 ( 0.000 0.000 -14.380) 14.380 10.568 ( 0.000 0.000 2.053) 2.053 10.749 ( 0.000 0.000 -1.055) 1.055 10.792 ( 0.000 0.000 -6.854) 6.854 10.962 ( 0.000 0.000 -11.000) 11.000 11.098 ( 0.000 0.000 3.912) 3.912 11.486 ( 0.000 0.000 1.286) 1.286 11.508 ( 0.000 0.000 16.069) 16.069 11.906 ( 0.000 0.000 -5.543) 5.543 12.063 ( 0.000 0.000 -2.529) 2.529 12.226 ( 0.000 0.000 -6.536) 6.536 13.551 ( 0.000 0.000 12.135) 12.135 14.049 ( 0.000 0.000 4.927) 4.927 14.132 ( 0.000 0.000 -4.653) 4.653 14.440 ( 0.000 0.000 -5.108) 5.108 15.081 ( 0.000 0.000 2.024) 2.024 15.211 ( 0.000 0.000 -1.353) 1.353 16.037 ( 0.000 0.000 1.176) 1.176 16.121 ( 0.000 0.000 -1.045) 1.045 16.226 ( 0.000 0.000 3.379) 3.379 16.482 ( 0.000 0.000 -3.094) 3.094 ======================= Grid point 108 (33/93) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 9.246 -3.820 13.660) 16.931 0.651 ( 16.855 -2.780 15.624) 23.150 0.963 ( 23.168 -3.092 17.749) 29.349 1.117 ( 5.081 -1.335 3.275) 6.191 1.335 ( 13.192 -0.570 -13.099) 18.600 1.700 ( 0.423 1.368 4.216) 4.453 1.745 ( -0.788 -1.481 1.223) 2.076 1.876 ( -0.010 2.211 6.896) 7.242 1.924 ( 5.523 -1.277 10.564) 11.989 2.266 ( 4.007 4.455 -2.306) 6.420 2.326 ( 0.577 -0.402 -6.293) 6.332 2.344 ( -1.079 -1.698 -0.915) 2.210 2.386 ( -2.069 -0.718 -3.299) 3.960 2.456 ( 1.919 -0.995 -2.817) 3.551 2.536 ( 1.276 0.730 -13.211) 13.293 2.582 ( -0.213 -0.605 -3.484) 3.543 2.625 ( -1.852 -0.687 2.742) 3.380 2.777 ( -3.883 -0.078 0.458) 3.910 2.898 ( 1.620 2.716 4.640) 5.616 2.924 ( -2.002 0.995 -2.923) 3.679 3.001 ( -2.184 0.994 -0.207) 2.408 3.071 ( -1.576 -0.213 -3.104) 3.487 3.134 ( -4.269 -3.048 3.652) 6.391 3.300 ( -5.473 0.235 -1.789) 5.763 3.702 ( 1.664 -0.252 1.701) 2.393 3.806 ( -13.730 0.212 0.505) 13.741 4.124 ( -0.235 -0.047 1.369) 1.389 4.327 ( 6.260 -0.479 -2.304) 6.688 4.467 ( 1.989 0.243 1.507) 2.507 4.499 ( 0.703 -0.565 1.072) 1.401 7.396 ( 9.401 -0.121 12.451) 15.602 7.728 ( 15.591 0.129 0.738) 15.609 8.165 ( -4.837 0.280 -0.708) 4.897 8.182 ( 7.511 0.139 -3.466) 8.274 8.307 ( 9.931 0.059 -0.847) 9.967 8.579 ( 19.528 0.999 -4.231) 20.006 8.694 ( -4.350 -0.050 18.909) 19.402 9.482 ( 35.567 -0.046 2.630) 35.664 9.569 ( -2.005 -0.693 11.496) 11.690 10.135 ( 15.095 3.233 -26.402) 30.584 10.630 ( 6.258 -0.047 2.642) 6.793 10.748 ( -1.611 1.687 -7.353) 7.714 10.767 ( 2.150 -0.043 -1.959) 2.909 11.048 ( 8.098 0.015 -9.067) 12.156 11.112 ( 1.611 0.002 4.639) 4.910 11.448 ( -3.877 -1.333 11.069) 11.804 11.529 ( 0.823 -0.427 8.121) 8.174 11.895 ( 4.202 1.525 -11.517) 12.355 12.061 ( -0.158 -0.317 -3.931) 3.947 12.163 ( -4.522 0.674 -4.513) 6.424 13.576 ( 2.875 0.181 12.892) 13.210 13.999 ( -5.229 0.369 4.985) 7.234 14.156 ( 2.331 0.988 -3.791) 4.558 14.397 ( -5.645 0.672 -3.955) 6.925 14.633 ( 18.265 69.593 16.494) 73.816 15.417 ( -8.417 -15.890 -16.038) 24.095 15.927 ( -6.724 0.705 5.447) 8.682 16.119 ( -10.786 0.716 4.752) 11.808 16.201 ( -11.572 -25.348 -7.274) 28.798 16.438 ( -4.431 0.425 -3.579) 5.712 ======================= Grid point 109 (34/93) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 11.585 -3.535 9.502) 15.395 0.912 ( 11.377 -4.234 19.566) 23.026 1.217 ( 7.145 -1.820 -2.841) 7.901 1.507 ( 23.349 -0.903 5.627) 24.035 1.563 ( 10.513 -1.314 -4.403) 11.473 1.720 ( 1.413 0.156 1.958) 2.419 1.771 ( 5.543 0.196 1.065) 5.647 1.876 ( 1.201 0.823 4.380) 4.616 2.058 ( 6.391 -1.311 6.278) 9.054 2.245 ( -3.540 1.160 -4.567) 5.893 2.293 ( -0.777 2.920 -1.456) 3.354 2.335 ( -1.282 -0.928 -1.955) 2.515 2.371 ( -0.377 0.551 -3.209) 3.278 2.500 ( 1.391 -1.131 -0.857) 1.987 2.541 ( 0.056 1.375 -2.611) 2.952 2.574 ( -0.582 1.139 -7.587) 7.694 2.606 ( -0.930 -1.743 0.474) 2.031 2.723 ( -2.252 -0.729 -0.505) 2.421 2.861 ( -3.493 1.171 -3.809) 5.299 2.907 ( 0.584 1.855 1.746) 2.614 2.945 ( -3.525 -0.362 0.291) 3.555 3.031 ( -1.479 4.754 -1.837) 5.307 3.081 ( -3.016 -0.653 2.402) 3.910 3.171 ( -6.332 1.036 0.334) 6.425 3.542 ( -14.049 0.361 3.567) 14.499 3.735 ( 0.119 -1.340 -2.009) 2.418 4.130 ( 1.032 -0.598 1.698) 2.075 4.391 ( -0.032 -0.139 -5.096) 5.098 4.524 ( 4.676 0.763 2.703) 5.455 4.591 ( 7.131 -3.385 1.875) 8.113 7.632 ( 15.630 -0.324 13.182) 20.449 8.071 ( 18.755 0.009 1.186) 18.792 8.104 ( -0.420 0.160 0.193) 0.489 8.226 ( 1.343 0.431 -4.777) 4.981 8.591 ( -0.259 0.241 15.038) 15.042 8.750 ( 26.754 -0.417 4.072) 27.065 8.992 ( 26.505 1.496 -4.893) 26.994 9.437 ( -9.822 -0.826 15.289) 18.191 10.284 ( 46.237 -0.019 -1.700) 46.269 10.330 ( 8.426 0.566 -13.783) 16.164 10.748 ( 5.482 -0.071 1.144) 5.600 10.761 ( 4.281 0.766 -4.585) 6.320 10.860 ( 8.753 -0.282 -2.234) 9.038 11.167 ( 5.838 0.122 7.817) 9.757 11.199 ( 6.002 -1.321 5.706) 8.386 11.372 ( -5.074 -0.740 0.832) 5.195 11.588 ( 7.248 -0.060 -5.148) 8.890 12.003 ( -4.033 -2.471 -6.994) 8.444 12.082 ( 7.159 -1.869 -8.910) 11.582 12.089 ( 0.239 -0.627 -7.772) 7.801 13.648 ( 5.058 0.536 14.485) 15.352 13.856 ( -10.009 0.437 5.313) 11.340 14.153 ( -1.092 7.443 0.779) 7.562 14.232 ( -9.080 1.504 -3.456) 9.831 14.609 ( 20.947 34.366 1.823) 40.288 15.288 ( -8.867 3.066 -16.669) 19.128 15.764 ( -11.328 -0.371 7.163) 13.408 15.855 ( -16.765 -0.026 8.115) 18.626 16.107 ( -15.128 -14.800 -5.604) 21.893 16.317 ( -8.055 1.333 -4.516) 9.330 ======================= Grid point 110 (35/93) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 12.522 -2.786 6.668) 14.458 1.150 ( 11.100 -3.593 16.630) 20.315 1.373 ( 8.192 -1.701 -3.330) 9.005 1.597 ( -0.379 -0.915 -1.783) 2.040 1.727 ( 0.522 0.871 -0.691) 1.229 1.869 ( 4.177 1.315 2.073) 4.845 1.880 ( 0.764 0.644 3.884) 4.011 1.949 ( 13.466 -0.040 3.602) 13.939 2.155 ( 3.379 -1.671 1.388) 4.016 2.164 ( -2.661 0.574 -6.871) 7.391 2.277 ( 0.925 2.343 -0.308) 2.538 2.305 ( -2.404 -1.418 -1.769) 3.304 2.356 ( -0.584 0.813 -1.824) 2.081 2.501 ( -1.979 0.275 0.805) 2.154 2.531 ( -0.290 1.016 -2.171) 2.415 2.562 ( 2.035 2.354 -3.315) 4.546 2.615 ( 0.069 -0.774 1.674) 1.845 2.703 ( -1.114 -0.891 -1.584) 2.132 2.785 ( -4.144 1.015 -3.329) 5.412 2.834 ( -6.089 -1.364 -4.422) 7.648 2.914 ( -0.565 3.837 2.405) 4.563 2.951 ( -1.857 2.430 2.086) 3.702 3.015 ( -3.459 0.281 3.527) 4.948 3.144 ( 4.676 3.214 -1.603) 5.896 3.293 ( -12.684 0.304 5.787) 13.945 3.713 ( -3.900 -1.482 -5.219) 6.682 4.175 ( 2.723 -1.358 0.607) 3.103 4.374 ( -1.121 0.386 -4.226) 4.389 4.614 ( 5.643 1.132 4.303) 7.186 4.751 ( 5.950 -4.938 0.689) 7.763 7.938 ( 16.343 -0.188 13.244) 21.037 8.101 ( 1.396 -0.223 0.673) 1.566 8.259 ( 2.562 0.423 -2.294) 3.465 8.368 ( 10.519 -0.349 4.266) 11.357 8.557 ( -0.121 0.204 13.638) 13.640 9.263 ( -9.122 -1.494 10.489) 13.981 9.328 ( 31.693 -0.931 2.173) 31.781 9.504 ( 29.118 1.640 -4.335) 29.485 10.448 ( 6.672 0.162 -8.665) 10.937 10.774 ( 5.984 0.871 -4.691) 7.653 10.866 ( 6.726 -0.738 0.173) 6.769 10.966 ( 14.057 -0.235 -0.438) 14.066 11.023 ( 5.243 -0.772 -5.099) 7.354 11.232 ( -2.870 -1.796 9.353) 9.947 11.292 ( -3.036 -0.006 0.629) 3.100 11.542 ( 34.549 -1.216 6.345) 35.147 11.801 ( 6.064 -1.465 -11.150) 12.776 11.854 ( 1.619 -3.971 -5.885) 7.281 12.154 ( 6.085 -0.533 -11.435) 12.964 12.312 ( 12.978 -0.522 -7.958) 15.233 13.627 ( -13.791 0.373 4.986) 14.669 13.745 ( 4.527 0.414 15.480) 16.134 13.951 ( -12.032 5.158 -1.875) 13.224 14.093 ( -6.799 2.492 0.251) 7.246 14.776 ( 19.724 19.394 -4.254) 27.987 15.091 ( -7.670 8.079 -10.945) 15.617 15.514 ( -18.323 -0.327 7.082) 19.646 15.568 ( -10.508 0.085 10.331) 14.736 15.915 ( -15.900 -9.105 -5.182) 19.041 16.128 ( -11.005 1.812 -5.219) 12.314 ======================= Grid point 111 (36/93) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 12.935 -2.606 4.398) 13.909 1.363 ( 9.734 -1.631 12.146) 15.651 1.519 ( 4.710 -0.780 -4.381) 6.479 1.582 ( -1.572 -1.085 1.626) 2.508 1.692 ( -3.969 0.904 1.468) 4.327 1.799 ( -6.194 1.177 7.395) 9.718 1.887 ( 1.306 0.273 -1.535) 2.034 2.088 ( 1.492 1.347 -3.538) 4.069 2.140 ( 0.992 2.129 -4.136) 4.756 2.226 ( 1.419 -1.009 0.324) 1.771 2.268 ( -1.682 -0.040 -3.957) 4.300 2.297 ( -1.631 0.013 -2.911) 3.337 2.362 ( 5.447 -0.362 -0.709) 5.505 2.459 ( -1.349 0.639 -0.877) 1.731 2.516 ( -0.825 0.426 -0.060) 0.931 2.577 ( -1.879 1.066 -0.265) 2.177 2.608 ( 1.847 1.283 1.913) 2.953 2.676 ( -2.005 0.261 0.367) 2.055 2.736 ( 0.640 -1.038 1.321) 1.798 2.784 ( -1.293 -1.393 -0.782) 2.054 2.864 ( -1.895 1.718 1.774) 3.113 2.902 ( -2.153 0.832 0.459) 2.353 2.982 ( -0.758 0.783 3.606) 3.768 3.081 ( -9.099 0.105 5.839) 10.812 3.250 ( 8.521 3.860 -3.014) 9.828 3.626 ( -6.441 -1.525 -6.371) 9.187 4.237 ( 2.481 -1.525 -1.588) 3.317 4.349 ( -1.039 0.763 -3.730) 3.947 4.695 ( 3.659 0.808 5.694) 6.817 4.870 ( 3.132 -3.521 0.466) 4.736 8.129 ( 3.269 -0.139 1.660) 3.669 8.189 ( 7.347 -0.200 6.999) 10.149 8.297 ( 2.347 1.285 9.171) 9.554 8.456 ( -0.552 -1.129 11.578) 11.646 8.640 ( 10.042 -0.211 4.543) 11.024 9.098 ( -10.710 -1.232 2.870) 11.156 9.838 ( 21.391 -0.766 2.862) 21.595 9.975 ( 20.906 0.851 -1.309) 20.965 10.595 ( 10.782 1.327 -6.719) 12.774 10.850 ( 3.758 0.560 -7.580) 8.479 10.984 ( 4.089 -1.121 0.436) 4.262 11.051 ( -2.266 -1.109 -2.516) 3.563 11.118 ( 4.139 -0.137 0.138) 4.143 11.159 ( -3.923 -0.549 -0.955) 4.075 11.260 ( -1.050 0.119 4.542) 4.663 11.496 ( -17.597 -4.531 -2.947) 18.408 12.186 ( 21.858 0.455 -14.259) 26.101 12.313 ( 10.952 -0.610 -12.453) 16.595 12.392 ( 34.364 -1.224 0.569) 34.391 12.518 ( 8.366 -0.631 -4.733) 9.633 13.358 ( -13.383 -0.054 -0.155) 13.384 13.620 ( -15.579 1.683 -4.017) 16.176 13.868 ( 4.016 1.525 13.766) 14.421 13.950 ( -5.508 1.317 7.586) 9.466 14.871 ( -9.862 3.157 3.176) 10.831 14.954 ( 6.923 10.163 -4.385) 13.055 15.202 ( -7.172 4.861 9.359) 12.754 15.483 ( -0.895 -1.833 2.258) 3.043 15.701 ( -12.245 -5.237 -6.103) 14.650 15.900 ( -12.163 1.363 -5.530) 13.430 ======================= Grid point 112 (37/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 -0.000 2.128) 2.128 1.457 ( 0.000 -0.000 1.355) 1.355 1.503 ( -0.000 -0.000 1.516) 1.516 1.543 ( 0.000 -0.000 10.622) 10.622 1.667 ( -0.000 -0.000 -1.274) 1.274 1.716 ( 0.000 -0.000 10.348) 10.348 1.950 ( 0.000 -0.000 -6.507) 6.507 2.011 ( -0.000 0.000 -5.326) 5.326 2.174 ( 0.000 -0.000 -3.724) 3.724 2.236 ( 0.000 -0.000 -3.604) 3.604 2.244 ( 0.000 -0.000 -0.140) 0.140 2.269 ( 0.000 -0.000 -1.302) 1.302 2.448 ( 0.000 -0.000 0.397) 0.397 2.490 ( -0.000 0.000 -1.976) 1.976 2.495 ( 0.000 -0.000 -2.549) 2.549 2.500 ( 0.000 -0.000 -0.352) 0.352 2.619 ( 0.000 -0.000 0.381) 0.381 2.668 ( 0.000 -0.000 6.423) 6.423 2.773 ( 0.000 -0.000 0.333) 0.333 2.780 ( -0.000 -0.000 3.579) 3.579 2.831 ( 0.000 -0.000 1.936) 1.936 2.873 ( 0.000 -0.000 -0.340) 0.340 2.944 ( 0.000 -0.000 5.052) 5.052 3.009 ( 0.000 0.000 3.163) 3.163 3.338 ( 0.000 -0.000 -3.601) 3.601 3.550 ( 0.000 -0.000 -6.737) 6.737 4.272 ( 0.000 -0.000 -2.850) 2.850 4.332 ( 0.000 -0.000 -3.299) 3.299 4.726 ( 0.000 -0.000 6.241) 6.241 4.914 ( 0.000 -0.000 0.450) 0.450 8.164 ( 0.000 -0.000 0.675) 0.675 8.238 ( 0.000 -0.000 -1.115) 1.115 8.338 ( 0.000 -0.000 17.533) 17.533 8.429 ( 0.000 -0.000 17.900) 17.900 8.875 ( -0.000 -0.000 1.220) 1.220 8.880 ( 0.000 -0.000 -0.111) 0.111 10.052 ( 0.000 -0.000 3.112) 3.112 10.166 ( 0.000 -0.000 1.012) 1.012 10.784 ( 0.000 -0.000 -7.669) 7.669 10.860 ( 0.000 -0.000 -10.619) 10.619 10.994 ( 0.000 -0.000 -1.424) 1.424 11.004 ( 0.000 -0.000 0.314) 0.314 11.146 ( 0.000 -0.000 -1.574) 1.574 11.147 ( -0.000 -0.000 -1.771) 1.771 11.267 ( 0.000 0.000 1.598) 1.598 11.299 ( -0.000 -0.000 0.339) 0.339 12.436 ( 0.000 -0.000 -15.813) 15.813 12.464 ( 0.000 -0.000 -15.835) 15.835 12.612 ( 0.000 -0.000 3.445) 3.445 12.677 ( -0.000 -0.000 2.288) 2.288 13.329 ( -0.000 0.000 -9.332) 9.332 13.346 ( 0.000 -0.000 -9.908) 9.908 13.889 ( 0.000 -0.000 14.310) 14.310 13.911 ( 0.000 -0.000 14.394) 14.394 14.744 ( 0.000 -0.000 8.944) 8.944 14.873 ( 0.000 -0.000 9.669) 9.669 15.238 ( 0.000 -0.000 -1.825) 1.825 15.450 ( 0.000 -0.000 -1.250) 1.250 15.687 ( -0.000 -0.000 -6.739) 6.739 15.696 ( 0.000 0.000 -4.655) 4.655 ======================= Grid point 119 (38/93) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 12.961 0.000 10.351) 16.588 0.876 ( 12.002 0.000 21.154) 24.322 1.202 ( 7.617 0.000 -2.485) 8.012 1.500 ( 27.606 0.000 9.790) 29.290 1.551 ( 6.977 0.000 -8.455) 10.962 1.722 ( 1.736 0.000 2.101) 2.726 1.772 ( 5.968 0.000 0.865) 6.030 1.884 ( 0.764 0.000 4.459) 4.524 2.043 ( 6.174 0.000 6.664) 9.085 2.257 ( -4.420 -0.000 -5.703) 7.216 2.310 ( -1.513 -0.000 -0.733) 1.681 2.342 ( -0.762 -0.000 -0.707) 1.039 2.372 ( 0.003 0.000 -6.200) 6.200 2.488 ( 2.116 0.000 0.247) 2.131 2.555 ( -0.657 -0.000 -1.807) 1.922 2.577 ( 0.194 0.000 0.784) 0.807 2.595 ( -0.083 -0.000 -8.209) 8.209 2.716 ( -2.554 -0.000 -0.653) 2.636 2.874 ( -3.721 -0.000 -4.345) 5.720 2.906 ( -3.894 -0.000 -4.003) 5.585 2.955 ( -0.032 -0.000 5.801) 5.801 3.055 ( -3.255 -0.000 2.892) 4.354 3.095 ( 3.074 0.000 -0.465) 3.109 3.175 ( -8.468 -0.000 -0.832) 8.508 3.545 ( -14.207 -0.000 3.667) 14.673 3.723 ( 0.122 0.000 -1.750) 1.754 4.126 ( 0.789 0.000 1.768) 1.936 4.388 ( 0.299 0.000 -5.130) 5.139 4.533 ( 5.155 0.000 1.908) 5.497 4.560 ( 6.018 0.000 2.575) 6.546 7.630 ( 15.621 0.000 13.160) 20.426 8.071 ( 18.507 0.000 1.202) 18.546 8.105 ( -0.422 -0.000 0.272) 0.502 8.229 ( 1.278 0.000 -4.631) 4.804 8.593 ( -0.268 -0.000 15.023) 15.025 8.746 ( 26.611 0.000 4.209) 26.942 9.005 ( 26.320 0.000 -5.185) 26.825 9.431 ( -9.856 -0.000 15.306) 18.205 10.284 ( 47.258 0.000 -1.293) 47.276 10.335 ( 6.811 0.000 -14.096) 15.655 10.748 ( 5.424 0.000 1.235) 5.563 10.768 ( 3.270 0.000 -3.913) 5.099 10.858 ( 8.618 0.000 -2.545) 8.986 11.169 ( 6.085 0.000 8.535) 10.482 11.186 ( 4.997 0.000 6.574) 8.257 11.367 ( -4.316 -0.000 -0.613) 4.359 11.588 ( 7.907 0.000 -5.674) 9.732 11.978 ( -11.266 -0.000 -4.797) 12.244 12.068 ( 12.328 0.000 -11.634) 16.951 12.087 ( 0.839 0.000 -7.401) 7.449 13.652 ( 5.170 0.000 14.410) 15.310 13.859 ( -10.201 -0.000 5.410) 11.547 14.192 ( 0.057 0.000 -2.494) 2.495 14.245 ( -11.317 -0.000 -3.721) 11.913 15.077 ( -4.136 -0.000 -4.747) 6.296 15.214 ( 5.194 0.000 -12.777) 13.793 15.761 ( -11.169 -0.000 5.356) 12.386 15.838 ( -17.471 -0.000 6.351) 18.589 15.955 ( -10.027 -0.000 0.519) 10.040 16.328 ( -7.956 -0.000 -4.696) 9.238 ======================= Grid point 120 (39/93) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 13.561 -0.616 7.758) 15.635 1.108 ( 12.462 -1.465 18.274) 22.167 1.353 ( 8.433 -0.648 -2.097) 8.714 1.587 ( -0.720 -0.346 -2.435) 2.563 1.738 ( 1.254 0.413 -1.293) 1.848 1.878 ( 3.653 0.197 3.744) 5.235 1.890 ( 2.051 0.360 1.861) 2.793 1.948 ( 13.865 -0.072 4.320) 14.523 2.125 ( 2.626 -1.121 -0.388) 2.881 2.183 ( -1.541 0.834 -5.760) 6.021 2.276 ( -2.554 -0.930 -1.203) 2.972 2.325 ( -0.710 2.471 -1.980) 3.245 2.356 ( -0.373 -0.957 -1.800) 2.073 2.502 ( -1.279 -0.011 2.036) 2.405 2.535 ( -0.461 0.042 0.647) 0.796 2.592 ( 1.018 0.387 0.876) 1.397 2.612 ( 1.785 0.711 -4.636) 5.018 2.689 ( -0.636 -0.568 -1.169) 1.447 2.798 ( -4.485 0.738 -5.029) 6.778 2.813 ( -5.567 -1.165 -5.000) 7.573 2.957 ( -0.753 1.434 4.112) 4.419 2.987 ( -4.124 1.204 2.994) 5.236 3.018 ( -5.504 0.411 3.068) 6.315 3.187 ( 6.998 1.611 -3.114) 7.827 3.297 ( -12.768 0.119 5.646) 13.961 3.693 ( -3.920 -0.789 -4.805) 6.251 4.158 ( 2.406 -0.585 1.009) 2.674 4.377 ( -1.009 0.002 -4.735) 4.841 4.638 ( 6.244 1.880 2.829) 7.109 4.682 ( 5.817 -3.433 1.930) 7.025 7.936 ( 16.744 -0.069 12.761) 21.053 8.098 ( 1.095 -0.118 0.415) 1.177 8.263 ( 2.516 0.133 -1.743) 3.063 8.364 ( 10.184 -0.122 4.559) 11.158 8.560 ( -0.290 0.091 13.975) 13.978 9.246 ( -9.029 -0.559 11.057) 14.286 9.318 ( 31.676 -0.358 2.382) 31.768 9.525 ( 28.718 0.773 -4.995) 29.159 10.450 ( 6.932 0.047 -7.758) 10.404 10.784 ( 5.513 0.331 -4.828) 7.336 10.858 ( 6.100 -0.270 0.948) 6.179 10.963 ( 14.728 -0.103 -0.531) 14.738 11.014 ( 5.254 -0.294 -5.604) 7.687 11.213 ( -1.944 -0.595 8.117) 8.368 11.293 ( -3.160 0.019 0.834) 3.269 11.527 ( 31.737 -0.555 5.813) 32.269 11.760 ( -5.978 -1.971 1.208) 6.409 11.833 ( 17.351 -0.127 -16.874) 24.204 12.148 ( 5.900 -0.170 -11.251) 12.705 12.306 ( 12.837 -0.198 -7.987) 15.120 13.632 ( -14.325 0.173 4.983) 15.168 13.749 ( 4.390 0.114 15.303) 15.921 13.999 ( -13.915 1.296 -3.829) 14.491 14.124 ( -7.007 1.092 1.419) 7.232 15.014 ( 3.531 7.762 -6.938) 10.993 15.234 ( -2.809 8.523 -10.631) 13.912 15.506 ( -17.323 -0.420 9.890) 19.952 15.563 ( -8.791 -0.588 6.116) 10.725 15.769 ( -13.860 -7.233 -2.090) 15.772 16.150 ( -11.079 0.757 -5.551) 12.415 ======================= Grid point 121 (40/93) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 13.389 -0.929 5.476) 14.495 1.340 ( 11.351 -1.175 14.086) 18.128 1.506 ( 6.896 -0.698 -3.123) 7.602 1.568 ( -1.516 -0.684 0.165) 1.671 1.710 ( -4.476 1.077 1.129) 4.740 1.812 ( -7.610 0.407 6.613) 10.090 1.886 ( 0.279 -0.289 -1.157) 1.225 2.114 ( 2.534 1.831 -2.237) 3.844 2.157 ( 0.213 0.240 -7.831) 7.837 2.209 ( 3.107 -0.881 -0.384) 3.252 2.252 ( -1.228 -1.487 -1.476) 2.428 2.316 ( -1.375 1.583 -3.393) 3.989 2.358 ( 3.347 -0.254 -1.776) 3.797 2.467 ( -1.888 0.342 0.641) 2.023 2.518 ( -1.491 -0.047 -0.058) 1.493 2.592 ( -1.164 0.777 0.166) 1.409 2.636 ( 0.882 1.712 2.387) 3.067 2.679 ( -1.203 0.111 1.039) 1.594 2.719 ( -0.493 -0.929 0.069) 1.054 2.767 ( -0.916 -0.682 -2.802) 3.026 2.889 ( -2.521 1.139 2.356) 3.633 2.914 ( -3.373 0.602 2.193) 4.068 2.990 ( -0.024 0.297 3.460) 3.473 3.082 ( -9.989 0.051 6.090) 11.700 3.316 ( 8.572 3.901 -4.407) 10.397 3.597 ( -7.187 -1.851 -5.901) 9.482 4.213 ( 2.562 -1.264 -0.634) 2.926 4.357 ( -1.024 0.242 -4.655) 4.773 4.710 ( 2.851 0.975 4.691) 5.575 4.819 ( 5.795 -2.685 1.137) 6.487 8.131 ( 3.086 0.285 0.994) 3.255 8.181 ( 6.876 -0.695 4.897) 8.471 8.316 ( 3.902 1.003 11.772) 12.442 8.438 ( -1.276 -0.934 11.718) 11.824 8.637 ( 9.873 -0.097 4.741) 10.953 9.082 ( -10.104 -0.754 3.500) 10.720 9.829 ( 22.288 -0.329 3.296) 22.532 9.987 ( 19.628 0.604 -1.593) 19.701 10.614 ( 12.193 0.889 -6.156) 13.687 10.857 ( 3.286 0.320 -8.277) 8.912 10.969 ( 4.254 -0.693 0.396) 4.328 11.034 ( -2.904 -0.840 -2.591) 3.981 11.116 ( 4.047 -0.044 0.122) 4.049 11.153 ( -3.053 -0.219 -1.247) 3.306 11.262 ( -0.573 0.104 4.060) 4.102 11.435 ( -14.989 -2.775 -1.663) 15.334 12.194 ( 21.356 0.514 -14.946) 26.072 12.304 ( 10.748 -0.461 -12.389) 16.408 12.374 ( 35.579 -0.912 0.782) 35.600 12.509 ( 8.420 -0.425 -4.909) 9.755 13.358 ( -13.618 0.032 0.143) 13.619 13.640 ( -15.686 0.799 -3.303) 16.050 13.889 ( 2.439 0.947 12.884) 13.147 13.970 ( -6.798 1.094 8.560) 10.985 14.921 ( -11.346 2.849 4.001) 12.363 15.053 ( -11.778 2.377 0.474) 12.024 15.306 ( 2.855 6.879 3.756) 8.341 15.453 ( -8.566 -1.523 1.763) 8.878 15.626 ( -2.693 -3.820 -6.846) 8.290 15.922 ( -12.699 1.151 -5.833) 14.022 ======================= Grid point 122 (41/93) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 10.170 -1.113 2.700) 10.581 1.474 ( -6.194 1.195 0.779) 6.356 1.513 ( -1.591 1.039 1.573) 2.467 1.549 ( 1.839 0.982 10.481) 10.686 1.662 ( 1.640 -0.465 -1.001) 1.977 1.704 ( -1.773 -1.384 9.843) 10.097 1.931 ( 2.858 -1.827 -4.428) 5.578 2.017 ( -7.776 0.449 -8.216) 11.321 2.186 ( 0.616 1.034 -4.142) 4.313 2.234 ( -0.904 -0.175 -3.123) 3.255 2.241 ( -0.422 -0.230 -0.385) 0.616 2.272 ( 0.445 0.288 -1.059) 1.184 2.448 ( -0.105 0.032 0.531) 0.542 2.470 ( 5.834 -0.991 -1.639) 6.141 2.499 ( -0.025 -0.070 -0.144) 0.162 2.519 ( -5.604 1.377 -2.449) 6.269 2.618 ( -0.873 -0.134 1.793) 1.999 2.668 ( -0.835 0.003 6.241) 6.297 2.764 ( -0.247 -0.737 -0.889) 1.181 2.781 ( 3.602 0.133 3.184) 4.809 2.841 ( -1.178 0.806 2.495) 2.874 2.876 ( -0.784 0.425 0.217) 0.917 2.942 ( -2.396 -0.277 5.047) 5.594 3.007 ( 0.719 -0.183 3.044) 3.133 3.355 ( -4.787 1.965 -3.923) 6.494 3.541 ( 2.899 -1.074 -6.663) 7.345 4.262 ( 1.434 -1.029 -2.139) 2.773 4.334 ( -1.147 0.210 -4.256) 4.413 4.726 ( -0.666 0.012 6.497) 6.531 4.915 ( 3.225 0.115 0.311) 3.242 8.169 ( 0.574 0.585 0.486) 0.952 8.229 ( 0.173 -1.067 -1.026) 1.490 8.339 ( -3.956 0.131 17.542) 17.983 8.429 ( 3.028 -0.006 17.947) 18.201 8.873 ( -12.116 -0.198 1.281) 12.185 8.882 ( 13.748 0.183 -0.169) 13.750 10.062 ( 1.226 1.172 2.946) 3.399 10.157 ( -0.835 -1.075 1.204) 1.817 10.780 ( -9.255 -0.384 -7.879) 12.161 10.864 ( 4.781 0.421 -10.362) 11.420 10.995 ( 2.042 0.104 -0.814) 2.201 11.006 ( 2.912 0.096 -0.286) 2.928 11.142 ( -0.638 -0.194 -1.667) 1.796 11.152 ( 0.990 0.279 -1.637) 1.933 11.261 ( -3.137 -0.491 1.777) 3.638 11.306 ( 6.965 0.664 0.068) 6.997 12.437 ( 0.237 0.169 -15.649) 15.652 12.462 ( 0.517 -0.216 -16.019) 16.029 12.617 ( 0.699 0.651 3.386) 3.518 12.670 ( 0.522 -0.835 2.410) 2.603 13.323 ( 9.738 -0.478 -10.084) 14.026 13.353 ( -11.194 0.588 -9.131) 14.458 13.892 ( -1.186 0.338 13.952) 14.006 13.911 ( -0.482 -0.002 14.449) 14.457 14.752 ( -2.040 0.923 9.669) 9.925 14.862 ( -4.056 -1.278 8.594) 9.589 15.168 ( -16.587 -6.169 0.340) 17.700 15.497 ( 11.687 3.570 -1.565) 12.320 15.695 ( -9.812 0.357 -5.302) 11.159 15.712 ( 9.250 2.378 -7.338) 12.044 ======================= Grid point 123 (42/93) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -11.555 4.398 2.667) 12.648 1.387 ( -8.050 1.178 9.994) 12.887 1.528 ( -1.369 0.307 -4.618) 4.826 1.601 ( 1.686 1.140 2.878) 3.526 1.685 ( 2.375 -0.076 0.869) 2.530 1.773 ( 4.821 -2.049 7.689) 9.304 1.874 ( -2.659 -1.286 -2.356) 3.778 2.061 ( 3.062 -2.919 -3.806) 5.690 2.103 ( -5.643 -1.192 -0.854) 5.831 2.229 ( -0.343 -0.393 -0.220) 0.566 2.274 ( 2.453 0.637 -7.026) 7.469 2.306 ( 2.711 0.614 -0.897) 2.921 2.375 ( -7.835 1.334 0.091) 7.948 2.447 ( -0.299 -0.652 -1.733) 1.876 2.506 ( -0.185 -0.668 1.329) 1.499 2.560 ( 2.675 -0.901 -0.052) 2.823 2.600 ( -1.678 0.123 1.448) 2.219 2.669 ( 2.235 -0.782 0.600) 2.443 2.750 ( -1.173 0.680 1.388) 1.941 2.798 ( 1.208 -0.180 1.392) 1.852 2.847 ( 0.500 -0.015 -0.174) 0.530 2.890 ( 1.665 -0.583 0.406) 1.810 2.964 ( 1.226 -1.348 3.172) 3.658 3.078 ( 8.006 -0.241 5.267) 9.586 3.204 ( -8.862 -1.770 -2.004) 9.257 3.644 ( 6.396 0.796 -6.666) 9.273 4.258 ( -1.983 1.055 -2.685) 3.501 4.333 ( 0.736 -1.235 -3.221) 3.528 4.685 ( -3.839 -0.342 7.190) 8.158 4.924 ( -0.963 3.030 -0.336) 3.197 8.135 ( -3.328 0.536 1.909) 3.873 8.187 ( -7.893 -0.416 9.810) 12.598 8.276 ( -1.175 -1.291 6.249) 6.488 8.473 ( 0.244 0.912 11.368) 11.407 8.644 ( -10.177 0.276 4.376) 11.081 9.119 ( 11.494 1.245 2.137) 11.757 9.854 ( -20.879 1.229 2.335) 21.045 9.961 ( -21.599 -0.926 -1.042) 21.644 10.574 ( -9.600 -1.298 -7.561) 12.289 10.840 ( -4.200 -0.575 -6.875) 8.077 11.002 ( -4.025 1.036 0.382) 4.174 11.067 ( 1.661 0.914 -2.424) 3.077 11.121 ( -4.190 0.278 0.230) 4.205 11.170 ( 5.188 0.782 -0.458) 5.266 11.258 ( 1.744 -0.039 5.313) 5.591 11.571 ( 20.425 4.624 -4.488) 21.417 12.181 ( -22.245 -0.123 -13.800) 26.178 12.322 ( -11.180 0.507 -12.189) 16.548 12.411 ( -32.996 1.045 0.534) 33.017 12.527 ( -8.053 0.517 -4.458) 9.219 13.360 ( 13.091 0.246 -0.474) 13.101 13.587 ( 14.019 -2.469 -4.374) 14.892 13.844 ( -5.738 -1.257 14.250) 15.413 13.933 ( 4.454 -0.667 5.943) 7.457 14.749 ( -17.030 -12.663 -4.136) 21.622 14.841 ( 3.742 -1.926 1.986) 4.654 15.143 ( 15.186 -3.013 12.877) 20.137 15.508 ( -2.756 1.290 1.607) 3.441 15.769 ( 14.423 2.298 -5.158) 15.489 15.896 ( 12.131 1.683 -6.379) 13.809 ======================= Grid point 124 (43/93) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -10.255 5.937 4.349) 12.623 1.213 ( -8.780 3.980 14.292) 17.239 1.405 ( -7.633 2.232 -5.535) 9.689 1.614 ( 0.015 1.165 -0.482) 1.261 1.713 ( 0.237 -0.829 -0.278) 0.906 1.834 ( -2.660 -2.847 2.495) 4.626 1.870 ( -1.400 -0.743 4.599) 4.865 1.944 ( -12.323 -0.807 1.929) 12.499 2.131 ( 0.604 -2.195 -3.109) 3.853 2.204 ( -2.863 2.712 -0.142) 3.946 2.246 ( -0.404 -1.118 -0.009) 1.189 2.322 ( 0.518 -0.083 -2.100) 2.164 2.349 ( 2.385 0.905 -1.637) 3.031 2.470 ( 1.024 -3.992 -8.001) 9.000 2.505 ( 0.168 -0.627 2.495) 2.578 2.549 ( -1.583 -0.107 -0.277) 1.611 2.626 ( 1.781 0.532 1.071) 2.145 2.709 ( 1.147 -0.551 -2.087) 2.444 2.767 ( 3.069 -0.788 0.021) 3.169 2.848 ( 3.143 -1.274 -0.574) 3.439 2.852 ( 0.356 -1.886 -2.392) 3.066 2.923 ( 0.791 -0.944 1.713) 2.110 3.002 ( 2.851 -1.319 3.016) 4.355 3.100 ( -2.207 -1.884 -0.774) 3.003 3.288 ( 12.651 -0.400 5.986) 14.002 3.735 ( 3.992 1.194 -5.721) 7.078 4.198 ( -2.935 1.489 -0.313) 3.306 4.363 ( 1.255 -1.042 -3.680) 4.025 4.600 ( -5.560 -0.653 6.189) 8.346 4.832 ( -5.554 4.865 -0.490) 7.400 7.942 ( -15.837 0.219 14.106) 21.209 8.103 ( -1.643 0.122 0.814) 1.838 8.250 ( -2.590 -0.668 -3.051) 4.058 8.375 ( -11.054 0.487 3.898) 11.731 8.554 ( -0.128 -0.182 13.093) 13.095 9.291 ( 9.286 1.918 9.748) 13.599 9.346 ( -31.788 1.148 1.868) 31.864 9.478 ( -29.568 -1.419 -3.533) 29.813 10.445 ( -6.101 -0.296 -10.363) 12.030 10.758 ( -6.655 -1.084 -4.541) 8.129 10.880 ( -7.559 0.841 -0.830) 7.651 10.970 ( -13.171 0.246 -0.322) 13.177 11.038 ( -5.140 0.974 -4.453) 6.870 11.269 ( 4.600 2.741 10.984) 12.220 11.293 ( 2.630 0.115 0.881) 2.776 11.563 ( -36.989 1.257 6.556) 37.586 11.804 ( -16.460 -0.375 -16.478) 23.294 11.951 ( 12.212 6.895 -2.232) 14.200 12.166 ( -5.978 1.101 -11.331) 12.858 12.322 ( -13.214 0.654 -7.897) 15.408 13.621 ( 13.056 -0.361 4.795) 13.914 13.734 ( -5.666 -1.204 15.321) 16.379 13.820 ( 2.361 -10.901 3.899) 11.816 14.058 ( 7.435 -1.605 -2.719) 8.078 14.481 ( -20.555 -15.822 -3.867) 26.226 14.974 ( 5.595 -6.536 -12.201) 14.929 15.513 ( 19.481 -0.496 8.252) 21.162 15.562 ( 9.406 -0.559 10.591) 14.176 16.027 ( 15.892 3.351 -5.667) 17.202 16.111 ( 12.382 1.319 -5.539) 13.629 ======================= Grid point 125 (44/93) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -8.284 7.818 6.843) 13.288 1.002 ( -9.690 6.708 16.027) 19.894 1.258 ( -5.805 3.246 -3.796) 7.658 1.525 ( -16.496 1.215 -0.455) 16.547 1.587 ( -15.049 1.552 1.557) 15.209 1.719 ( -2.132 -0.060 0.695) 2.244 1.764 ( -3.465 -0.767 1.716) 3.942 1.861 ( -1.622 -0.982 4.744) 5.109 2.059 ( -8.436 -1.805 5.519) 10.241 2.231 ( 3.055 -0.394 -3.189) 4.434 2.259 ( 1.148 -0.569 -1.073) 1.671 2.337 ( 0.464 -1.294 -1.796) 2.261 2.374 ( 1.443 1.341 -1.743) 2.630 2.506 ( 0.020 -2.362 -8.286) 8.616 2.517 ( -0.961 0.254 -1.825) 2.079 2.556 ( 2.620 -0.850 -2.412) 3.661 2.637 ( 1.161 1.862 0.051) 2.195 2.729 ( 1.131 -0.561 0.344) 1.308 2.839 ( 2.692 -1.998 -1.025) 3.505 2.855 ( -1.117 -2.958 1.169) 3.371 2.941 ( 0.082 -3.902 1.106) 4.056 2.968 ( 6.433 0.138 -4.579) 7.897 3.087 ( 5.624 -0.628 1.908) 5.972 3.148 ( 5.322 -1.097 0.494) 5.456 3.536 ( 13.911 -0.386 3.537) 14.359 3.758 ( -0.365 1.357 -2.535) 2.899 4.145 ( -1.372 1.191 1.377) 2.279 4.389 ( 0.653 -0.344 -4.865) 4.921 4.510 ( -4.546 -0.926 4.056) 6.162 4.658 ( -8.513 4.695 0.649) 9.743 7.639 ( -15.641 0.504 13.244) 20.502 8.071 ( -19.691 0.046 1.158) 19.725 8.100 ( 0.824 -0.214 -0.047) 0.853 8.216 ( -1.491 -0.745 -5.102) 5.367 8.586 ( 0.236 -0.305 15.082) 15.087 8.759 ( -27.097 0.659 3.761) 27.364 8.963 ( -26.818 -1.889 -4.200) 27.210 9.457 ( 9.723 1.664 15.155) 18.082 10.285 ( -43.680 0.093 -2.710) 43.764 10.320 ( -12.134 -0.662 -13.189) 17.934 10.748 ( -5.887 -0.697 -6.275) 8.633 10.750 ( -5.830 0.198 0.920) 5.906 10.866 ( -9.225 0.463 -1.634) 9.380 11.167 ( -5.950 0.050 7.355) 9.460 11.220 ( -8.028 1.144 1.575) 8.261 11.390 ( 6.298 1.372 4.295) 7.746 11.596 ( -4.834 1.179 -2.887) 5.752 12.032 ( -10.745 1.054 -11.659) 15.890 12.091 ( -1.427 0.235 -7.907) 8.038 12.156 ( 5.265 6.423 -3.620) 9.059 13.636 ( -4.781 -0.866 14.577) 15.365 13.786 ( -17.539 -28.604 14.475) 36.543 13.856 ( 5.410 -4.408 7.679) 10.376 14.206 ( 3.787 -1.576 -4.072) 5.780 14.312 ( -4.949 -5.333 -5.245) 8.969 15.172 ( 8.821 -9.713 -20.896) 24.673 15.760 ( 11.154 -1.108 11.253) 15.883 15.851 ( 15.443 -0.199 7.052) 16.978 16.270 ( 10.538 -0.390 -5.552) 11.918 16.332 ( 17.121 8.485 -7.273) 20.446 ======================= Grid point 126 (45/93) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -6.330 9.763 9.987) 15.334 0.731 ( -15.930 6.823 12.660) 21.461 1.053 ( -18.884 7.593 13.757) 24.566 1.159 ( -3.869 3.781 1.976) 5.759 1.351 ( -12.827 1.377 -11.764) 17.459 1.673 ( -1.318 -1.713 2.551) 3.344 1.773 ( 1.784 1.647 2.373) 3.396 1.842 ( -1.869 -1.814 6.529) 7.029 1.918 ( -6.960 -2.204 9.805) 12.224 2.225 ( -2.851 -0.516 0.180) 2.903 2.311 ( 1.905 -1.190 -4.792) 5.292 2.361 ( 1.424 -0.228 -1.612) 2.164 2.389 ( 1.245 -0.023 -2.740) 3.010 2.483 ( -1.900 1.749 -2.985) 3.947 2.519 ( -0.223 -1.045 -12.855) 12.899 2.593 ( 1.052 0.613 -2.572) 2.846 2.647 ( 1.493 1.799 1.128) 2.596 2.772 ( 2.671 -1.235 2.395) 3.794 2.850 ( -1.505 -2.349 3.047) 4.131 2.897 ( 1.557 -2.204 -0.834) 2.825 2.967 ( -0.079 -3.000 1.232) 3.244 3.072 ( 4.407 -0.361 -7.927) 9.077 3.194 ( 5.844 3.532 0.898) 6.887 3.284 ( 7.757 -2.030 -0.941) 8.073 3.709 ( -2.005 0.471 1.187) 2.377 3.800 ( 12.735 -0.550 0.332) 12.752 4.128 ( 0.071 0.673 0.986) 1.196 4.342 ( -6.794 1.289 -4.290) 8.138 4.459 ( -1.862 -0.836 2.385) 3.139 4.517 ( -1.844 1.774 1.658) 3.049 7.400 ( -9.502 0.316 12.372) 15.603 7.724 ( -15.654 -0.258 0.724) 15.673 8.158 ( 3.502 -0.461 -1.161) 3.718 8.177 ( -5.990 -0.472 -3.333) 6.871 8.305 ( -10.381 -0.180 -1.152) 10.446 8.553 ( -19.037 -1.868 -2.998) 19.362 8.696 ( 4.321 0.103 18.961) 19.447 9.485 ( -33.688 0.367 3.034) 33.827 9.589 ( 0.553 1.710 11.370) 11.511 10.053 ( -20.363 -6.012 -19.136) 28.583 10.632 ( -6.190 0.126 2.508) 6.680 10.712 ( 0.489 -2.139 -8.274) 8.560 10.767 ( -2.244 -0.009 -1.858) 2.914 11.047 ( -8.397 -0.151 -9.848) 12.943 11.111 ( -1.713 -0.046 4.545) 4.858 11.477 ( 3.601 1.510 8.545) 9.394 11.553 ( 0.453 3.228 12.547) 12.963 11.855 ( -5.375 -3.018 -10.845) 12.475 12.070 ( -0.350 0.643 -3.765) 3.836 12.151 ( -4.947 -0.371 4.062) 6.412 13.569 ( -3.608 -1.918 14.264) 14.838 13.645 ( -25.025 -42.761 32.452) 59.227 13.990 ( 4.998 -1.023 5.022) 7.159 14.165 ( -3.843 -0.773 -4.181) 5.731 14.390 ( 4.792 -0.766 -4.937) 6.923 15.409 ( 7.499 -9.051 -21.650) 24.635 15.929 ( 6.212 -0.218 8.895) 10.851 16.087 ( 9.174 -2.107 5.589) 10.947 16.410 ( 4.454 -1.563 -4.468) 6.499 16.581 ( 19.126 15.951 -15.464) 29.315 ======================= Grid point 127 (46/93) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -0.000 7.506 13.102) 15.100 0.444 ( -0.000 11.101 13.615) 17.566 0.821 ( -0.000 8.024 29.880) 30.939 1.102 ( -0.000 3.634 -0.102) 3.636 1.199 ( -0.000 0.875 -15.381) 15.406 1.683 ( 0.000 -2.243 3.505) 4.161 1.777 ( -0.000 2.533 1.671) 3.034 1.820 ( 0.000 -2.595 14.259) 14.493 1.899 ( 0.000 -4.261 5.808) 7.204 2.171 ( -0.000 1.494 1.243) 1.943 2.332 ( -0.000 0.113 -1.489) 1.493 2.378 ( -0.000 1.236 -3.421) 3.638 2.419 ( 0.000 -1.938 -4.000) 4.444 2.427 ( -0.000 3.577 -3.704) 5.150 2.520 ( 0.000 -0.364 -14.685) 14.690 2.592 ( -0.000 1.235 -4.168) 4.347 2.652 ( -0.000 1.192 3.408) 3.610 2.831 ( -0.000 0.473 -1.676) 1.741 2.838 ( 0.000 -4.908 7.705) 9.136 2.931 ( 0.000 -2.019 -1.626) 2.592 2.990 ( 0.000 -3.268 2.030) 3.847 3.113 ( -0.000 1.295 -8.457) 8.556 3.226 ( -0.000 3.467 -0.591) 3.517 3.384 ( -0.000 2.703 -5.203) 5.863 3.680 ( 0.000 -0.378 3.169) 3.192 3.960 ( 0.000 -0.428 -3.763) 3.787 4.125 ( -0.000 0.040 0.936) 0.936 4.250 ( 0.000 -1.715 -0.098) 1.718 4.450 ( 0.000 -0.407 1.524) 1.578 4.506 ( -0.000 1.003 -0.471) 1.108 7.308 ( -0.000 0.163 11.787) 11.788 7.571 ( 0.000 -0.120 0.437) 0.453 8.055 ( 0.000 -0.335 0.746) 0.818 8.256 ( 0.000 -0.876 -1.594) 1.819 8.269 ( 0.000 -0.286 -5.363) 5.370 8.334 ( 0.000 -0.206 -0.305) 0.368 8.759 ( -0.000 0.108 19.714) 19.714 9.117 ( -0.000 0.536 2.290) 2.352 9.485 ( -0.000 0.400 -7.472) 7.483 9.907 ( 0.000 -7.033 -1.287) 7.150 10.569 ( -0.000 0.120 2.039) 2.042 10.749 ( 0.000 -0.130 -1.002) 1.011 10.758 ( 0.000 -3.178 -6.369) 7.118 10.961 ( 0.000 -0.176 -10.943) 10.944 11.097 ( 0.000 -0.077 3.922) 3.923 11.488 ( -0.000 0.256 1.265) 1.291 11.534 ( -0.000 3.066 16.603) 16.884 11.906 ( 0.000 -0.019 -5.552) 5.552 12.066 ( -0.000 0.380 -2.563) 2.591 12.078 ( 0.000 -14.634 17.281) 22.645 13.549 ( 0.000 -0.223 12.164) 12.167 13.736 ( 0.000 -60.852 58.424) 84.358 14.044 ( 0.000 -0.877 5.124) 5.198 14.131 ( 0.000 -0.107 -4.659) 4.660 14.442 ( 0.000 -0.818 -4.174) 4.254 15.541 ( 0.000 -3.886 -19.649) 20.030 15.985 ( -0.000 0.117 6.762) 6.763 16.197 ( 0.000 -3.076 4.183) 5.192 16.460 ( 0.000 -0.208 -5.037) 5.042 16.646 ( -0.000 24.799 -26.662) 36.412 ======================= Grid point 130 (47/93) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 13.409 0.000 5.741) 14.586 1.330 ( 12.031 0.000 14.925) 19.170 1.500 ( 7.541 0.000 -2.465) 7.934 1.562 ( -1.489 -0.000 -0.511) 1.574 1.720 ( -4.318 -0.000 0.910) 4.413 1.814 ( -8.384 -0.000 6.191) 10.421 1.883 ( -0.057 -0.000 -1.070) 1.071 2.134 ( 4.860 0.000 0.842) 4.932 2.156 ( -1.919 -0.000 -11.568) 11.726 2.201 ( 3.126 0.000 -0.684) 3.200 2.237 ( -0.394 -0.000 -0.994) 1.069 2.332 ( -3.050 -0.000 -3.799) 4.871 2.354 ( 4.201 0.000 -1.641) 4.510 2.469 ( -1.899 -0.000 1.204) 2.249 2.517 ( -1.571 -0.000 0.140) 1.577 2.599 ( -1.207 -0.000 0.233) 1.229 2.651 ( 0.855 0.000 3.402) 3.508 2.680 ( -0.617 -0.000 1.672) 1.782 2.711 ( -1.524 -0.000 -1.338) 2.028 2.762 ( -0.700 -0.000 -3.726) 3.791 2.898 ( -2.774 -0.000 2.446) 3.698 2.920 ( -4.062 -0.000 3.240) 5.195 2.992 ( 0.362 0.000 3.245) 3.265 3.082 ( -10.323 -0.000 6.165) 12.024 3.353 ( 9.271 0.000 -5.212) 10.635 3.579 ( -8.188 -0.000 -5.516) 9.873 4.202 ( 2.562 0.000 -0.302) 2.580 4.359 ( -0.983 -0.000 -5.113) 5.206 4.720 ( 1.713 0.000 4.464) 4.781 4.794 ( 7.705 0.000 1.314) 7.816 8.134 ( 2.828 0.000 0.424) 2.859 8.173 ( 6.847 0.000 4.462) 8.173 8.325 ( 4.848 0.000 12.739) 13.630 8.430 ( -1.878 -0.000 11.731) 11.881 8.636 ( 9.797 0.000 4.828) 10.922 9.076 ( -9.879 -0.000 3.749) 10.567 9.827 ( 22.731 0.000 3.469) 22.994 9.992 ( 18.965 0.000 -1.726) 19.044 10.621 ( 12.890 0.000 -5.977) 14.208 10.859 ( 3.044 0.000 -8.595) 9.118 10.963 ( 4.317 0.000 0.385) 4.334 11.027 ( -3.185 -0.000 -2.582) 4.100 11.116 ( 4.003 0.000 0.122) 4.005 11.151 ( -2.760 -0.000 -1.325) 3.062 11.262 ( -0.391 -0.000 3.891) 3.911 11.412 ( -13.909 -0.000 -1.163) 13.957 12.199 ( 21.077 0.000 -15.358) 26.079 12.300 ( 10.670 0.000 -12.279) 16.267 12.366 ( 36.108 0.000 0.958) 36.121 12.505 ( 8.407 0.000 -4.968) 9.765 13.358 ( -13.705 -0.000 0.261) 13.708 13.646 ( -15.566 -0.000 -2.961) 15.845 13.896 ( 1.835 0.000 12.427) 12.561 13.980 ( -7.323 -0.000 8.893) 11.520 14.948 ( -11.886 -0.000 4.600) 12.744 15.065 ( -16.209 -0.000 1.921) 16.323 15.367 ( 3.290 0.000 4.736) 5.767 15.445 ( -17.598 -0.000 -0.054) 17.598 15.590 ( 7.435 0.000 -8.411) 11.226 15.932 ( -12.898 -0.000 -6.003) 14.226 ======================= Grid point 131 (48/93) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 11.063 -0.426 2.879) 11.440 1.486 ( -1.545 0.344 2.674) 3.107 1.523 ( -3.623 0.189 1.744) 4.025 1.578 ( 2.982 1.909 7.433) 8.233 1.657 ( 1.238 0.061 0.923) 1.546 1.675 ( -3.573 -1.941 8.186) 9.140 1.907 ( 2.543 -0.817 -2.995) 4.013 2.022 ( -10.841 0.157 -10.764) 15.278 2.196 ( 2.737 0.183 -5.098) 5.789 2.234 ( -1.167 0.173 -1.105) 1.617 2.238 ( -0.835 -0.167 -1.531) 1.752 2.276 ( -0.549 0.161 -0.966) 1.123 2.449 ( -0.098 0.043 0.860) 0.867 2.461 ( 5.985 -0.248 -1.136) 6.097 2.498 ( -0.167 -0.037 0.057) 0.180 2.534 ( -5.369 0.470 -2.282) 5.853 2.616 ( -1.697 -0.052 3.964) 4.312 2.668 ( -1.290 -0.037 5.578) 5.726 2.756 ( -0.411 -0.262 -2.333) 2.383 2.784 ( 5.681 0.116 2.886) 6.373 2.848 ( -3.287 0.129 3.292) 4.654 2.884 ( 0.653 0.397 0.716) 1.047 2.938 ( -4.560 -0.138 5.172) 6.896 3.005 ( 1.197 -0.111 2.821) 3.066 3.389 ( -10.068 1.706 -4.515) 11.165 3.520 ( 7.057 -1.137 -6.479) 9.648 4.248 ( 2.082 -0.552 -1.403) 2.570 4.336 ( -1.566 0.038 -5.378) 5.602 4.726 ( -0.955 0.011 6.881) 6.947 4.917 ( 5.112 0.070 0.096) 5.113 8.183 ( 1.361 1.148 0.005) 1.781 8.208 ( -0.213 -1.453 -0.634) 1.599 8.341 ( -6.480 0.097 17.454) 18.618 8.428 ( 5.047 -0.013 18.052) 18.745 8.871 ( -12.519 -0.082 1.491) 12.608 8.884 ( 15.157 0.073 -0.373) 15.161 10.084 ( 3.338 1.295 2.552) 4.397 10.136 ( -2.715 -1.236 1.641) 3.405 10.775 ( -13.278 -0.206 -8.127) 15.569 10.870 ( 5.769 0.221 -10.009) 11.555 10.997 ( 4.463 0.160 0.076) 4.466 11.006 ( 3.771 -0.031 -1.194) 3.956 11.140 ( -0.506 -0.061 -1.659) 1.735 11.155 ( 1.107 0.115 -1.579) 1.932 11.255 ( -3.218 -0.216 1.976) 3.782 11.314 ( 9.456 0.325 -0.279) 9.465 12.440 ( 0.439 0.163 -15.242) 15.249 12.458 ( 0.765 -0.198 -16.425) 16.444 12.632 ( 1.368 1.175 3.107) 3.592 12.653 ( 0.616 -1.286 2.758) 3.104 13.317 ( 10.527 -0.197 -10.650) 14.975 13.361 ( -12.896 0.267 -8.519) 15.458 13.899 ( -1.358 0.448 13.146) 13.224 13.909 ( -1.278 -0.233 14.737) 14.794 14.767 ( -4.182 0.626 11.397) 12.156 14.842 ( -6.135 -0.820 6.353) 8.870 15.091 ( -19.164 -2.774 2.622) 19.541 15.533 ( 11.905 0.967 -1.168) 12.001 15.699 ( -11.661 0.143 -5.024) 12.698 15.752 ( 10.454 1.714 -9.350) 14.130 ======================= Grid point 132 (49/93) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -9.421 4.403 1.241) 10.473 1.398 ( -7.176 0.133 8.231) 10.921 1.530 ( 1.211 -0.058 -3.668) 3.863 1.618 ( 1.371 0.973 3.738) 4.099 1.687 ( 1.481 0.163 -0.599) 1.606 1.737 ( 3.769 -2.191 6.801) 8.078 1.853 ( -4.168 -1.161 -3.103) 5.324 2.005 ( 5.009 -3.092 -2.060) 6.237 2.103 ( -8.625 0.603 -0.541) 8.663 2.224 ( 0.028 -0.134 -2.590) 2.594 2.275 ( 3.216 -0.350 -5.126) 6.061 2.313 ( 3.098 0.238 -0.868) 3.226 2.399 ( -8.142 1.402 -0.081) 8.262 2.442 ( -1.400 -0.069 -0.619) 1.532 2.499 ( -0.264 -0.154 2.316) 2.336 2.549 ( 2.497 -0.534 0.314) 2.573 2.608 ( -0.626 0.809 1.421) 1.751 2.650 ( 1.354 -1.462 1.715) 2.629 2.753 ( -0.437 -0.264 -1.303) 1.399 2.792 ( -0.851 -0.035 3.857) 3.950 2.849 ( -0.070 -0.189 -1.896) 1.907 2.891 ( 1.370 0.754 2.462) 2.916 2.941 ( 1.605 -1.399 2.371) 3.187 3.074 ( 7.221 -0.199 4.524) 8.524 3.191 ( -9.042 -0.126 -1.769) 9.214 3.652 ( 6.637 0.228 -6.850) 9.541 4.272 ( -0.655 0.805 -3.045) 3.217 4.312 ( -0.300 -1.338 -3.609) 3.860 4.683 ( -3.818 -0.024 8.434) 9.258 4.963 ( 0.414 1.696 -0.941) 1.984 8.145 ( -3.278 0.638 1.481) 3.653 8.178 ( -8.405 -0.524 11.787) 14.486 8.257 ( -0.392 -0.989 4.705) 4.824 8.484 ( 0.151 0.504 11.199) 11.211 8.648 ( -10.212 0.201 4.322) 11.091 9.136 ( 12.161 0.774 1.582) 12.288 9.875 ( -21.211 1.289 1.930) 21.338 9.945 ( -21.241 -0.930 -0.899) 21.280 10.556 ( -8.959 -0.819 -8.329) 12.260 10.832 ( -4.515 -0.357 -6.369) 7.815 11.015 ( -4.108 0.554 0.202) 4.150 11.079 ( 1.122 0.483 -2.458) 2.745 11.126 ( -4.132 0.285 0.347) 4.156 11.182 ( 6.325 0.595 -0.040) 6.353 11.258 ( 2.536 0.040 6.236) 6.732 11.634 ( 22.433 2.934 -5.740) 23.341 12.181 ( -22.453 0.066 -13.625) 26.264 12.328 ( -11.267 0.292 -11.647) 16.207 12.424 ( -31.972 0.598 0.547) 31.982 12.533 ( -7.507 0.229 -4.159) 8.585 13.365 ( 12.925 0.331 -0.641) 12.945 13.547 ( 10.965 -2.124 -4.179) 11.925 13.831 ( -6.873 -0.453 14.709) 16.242 13.928 ( 4.689 0.016 3.404) 5.794 14.571 ( -24.061 -8.508 -2.815) 25.676 14.824 ( 2.929 -0.404 1.631) 3.377 15.102 ( 17.984 -2.065 14.825) 23.398 15.525 ( -4.495 0.792 0.705) 4.619 15.774 ( 13.159 -0.733 -3.370) 13.604 15.944 ( 12.876 3.115 -8.168) 15.563 ======================= Grid point 133 (50/93) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -7.376 7.715 2.491) 10.961 1.267 ( -6.201 2.432 11.482) 13.274 1.441 ( -6.593 2.156 -7.914) 10.524 1.632 ( 0.187 0.959 1.185) 1.536 1.699 ( 0.040 -0.973 -0.830) 1.279 1.783 ( -2.243 -3.247 2.692) 4.777 1.855 ( -0.831 -1.085 5.223) 5.399 1.924 ( -11.877 -1.534 0.885) 12.008 2.095 ( 0.358 -2.087 -2.693) 3.426 2.235 ( -3.137 0.654 4.795) 5.767 2.239 ( -0.971 0.393 -1.490) 1.821 2.321 ( 0.826 0.453 -5.250) 5.334 2.374 ( 3.528 0.942 -2.046) 4.186 2.412 ( -1.251 -2.028 -5.348) 5.855 2.499 ( 0.624 -0.238 2.207) 2.306 2.546 ( -1.549 -0.309 -0.095) 1.582 2.627 ( 2.229 -0.609 0.605) 2.388 2.684 ( -0.740 -1.904 -1.362) 2.456 2.765 ( 2.272 0.247 1.411) 2.686 2.806 ( 0.288 -1.950 1.183) 2.299 2.846 ( 1.056 -0.708 -3.982) 4.180 2.921 ( 1.933 0.469 2.272) 3.020 2.977 ( 2.053 -1.597 2.326) 3.489 3.085 ( -0.431 -0.215 -1.771) 1.835 3.281 ( 12.619 -0.341 6.165) 14.049 3.750 ( 4.110 0.656 -6.172) 7.444 4.220 ( -2.926 1.287 -1.518) 3.538 4.343 ( 1.570 -1.364 -3.232) 3.844 4.593 ( -5.831 -0.286 7.981) 9.888 4.899 ( -5.165 3.371 -1.407) 6.326 7.944 ( -15.428 0.138 15.012) 21.527 8.104 ( -1.756 0.010 0.659) 1.876 8.238 ( -2.509 -0.672 -3.666) 4.493 8.382 ( -11.563 0.435 3.658) 12.136 8.552 ( -0.359 -0.083 12.577) 12.583 9.321 ( 9.553 1.618 9.310) 13.437 9.363 ( -32.108 0.942 1.549) 32.159 9.460 ( -29.770 -0.783 -3.030) 29.934 10.439 ( -5.383 -0.337 -12.342) 13.470 10.742 ( -7.261 -0.887 -4.416) 8.545 10.891 ( -8.251 0.565 -1.536) 8.412 10.973 ( -12.453 0.176 -0.250) 12.457 11.052 ( -4.986 0.786 -3.953) 6.412 11.294 ( 4.179 0.158 -1.346) 4.394 11.316 ( 4.442 2.713 15.202) 16.068 11.580 ( -38.593 0.885 6.401) 39.131 11.797 ( -17.434 -0.385 -15.995) 23.663 12.050 ( 13.254 4.858 -5.471) 15.139 12.193 ( -2.762 2.363 -9.564) 10.232 12.332 ( -13.482 0.535 -7.817) 15.594 13.590 ( -7.083 -8.822 5.511) 12.585 13.636 ( 4.255 -3.605 6.610) 8.649 13.729 ( -4.387 -1.083 17.181) 17.766 14.045 ( 7.855 0.071 -5.357) 9.508 14.283 ( -10.749 -9.262 -5.464) 15.205 14.886 ( 2.020 -4.227 -12.616) 13.458 15.501 ( 21.053 -0.810 9.778) 23.227 15.552 ( 7.590 -0.568 10.153) 12.690 16.021 ( 12.242 -1.917 -4.005) 13.022 16.175 ( 15.944 4.469 -7.449) 18.156 ======================= Grid point 134 (51/93) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -5.069 10.471 4.324) 12.411 1.114 ( -7.171 6.933 11.695) 15.371 1.318 ( -3.936 4.070 -5.051) 7.588 1.542 ( -13.638 0.766 -2.535) 13.893 1.608 ( -14.846 0.813 2.671) 15.106 1.711 ( -4.444 -1.083 -1.002) 4.683 1.742 ( -0.510 -2.081 2.069) 2.979 1.848 ( -1.502 -0.516 6.718) 6.903 2.009 ( -9.782 -3.666 4.933) 11.553 2.232 ( 3.328 0.540 -2.399) 4.138 2.270 ( 0.899 1.190 1.505) 2.119 2.312 ( -0.232 -1.410 -2.578) 2.948 2.400 ( 0.940 1.885 -1.081) 2.367 2.457 ( 1.627 -3.168 -10.598) 11.180 2.522 ( 0.099 0.146 -2.108) 2.115 2.544 ( 2.705 -0.747 -0.520) 2.854 2.663 ( 1.419 1.349 -0.692) 2.077 2.685 ( -0.426 -4.344 1.778) 4.713 2.812 ( 1.874 -0.576 0.653) 2.066 2.832 ( 1.478 -0.666 -1.042) 1.927 2.881 ( 0.543 -3.172 -0.862) 3.331 2.973 ( 4.278 0.067 0.858) 4.364 3.057 ( 5.184 -2.566 0.994) 5.870 3.148 ( 6.401 0.751 -1.536) 6.626 3.530 ( 13.946 -0.323 3.725) 14.438 3.775 ( -0.914 0.766 -3.021) 3.248 4.167 ( -1.373 1.462 0.725) 2.133 4.381 ( 1.497 -0.612 -4.568) 4.846 4.495 ( -4.942 -0.987 5.526) 7.479 4.730 ( -9.455 4.048 -0.615) 10.303 7.647 ( -15.628 0.469 13.324) 20.542 8.072 ( -20.524 -0.025 0.969) 20.547 8.098 ( 1.171 -0.085 -0.176) 1.188 8.204 ( -1.623 -0.783 -5.422) 5.714 8.582 ( 0.198 -0.219 15.151) 15.154 8.769 ( -27.466 0.645 3.451) 27.689 8.937 ( -27.069 -1.350 -3.523) 27.331 9.487 ( 9.664 1.930 14.988) 17.937 10.287 ( -41.172 0.118 -3.639) 41.332 10.311 ( -15.352 -0.498 -13.026) 20.140 10.740 ( -6.917 -0.388 -8.214) 10.745 10.754 ( -6.276 0.288 0.522) 6.305 10.874 ( -9.921 0.517 -1.092) 9.994 11.168 ( -6.297 0.146 7.396) 9.715 11.232 ( -9.948 0.401 -3.311) 10.492 11.411 ( 5.691 1.042 6.096) 8.405 11.628 ( -0.407 2.682 1.697) 3.200 12.043 ( -15.418 0.463 -12.626) 19.933 12.095 ( -1.209 0.226 -8.458) 8.547 12.276 ( 5.975 8.317 -1.430) 10.340 13.313 ( -27.653 -26.113 20.373) 43.147 13.624 ( -4.737 -0.782 15.264) 16.001 13.836 ( 8.776 -0.921 5.166) 10.225 14.181 ( 2.391 -1.473 -5.224) 5.931 14.270 ( 3.470 -1.376 -6.036) 7.098 15.012 ( 6.082 -9.456 -24.013) 26.515 15.733 ( 10.133 -1.899 13.105) 16.674 15.850 ( 15.624 0.025 7.500) 17.331 16.233 ( 8.742 -2.649 -4.136) 10.027 16.458 ( 19.578 6.251 -9.129) 22.488 ======================= Grid point 135 (52/93) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -5.100 12.232 6.312) 14.679 0.854 ( -14.762 8.026 9.173) 19.143 1.187 ( -12.804 8.372 10.051) 18.304 1.232 ( -1.593 5.182 -2.850) 6.124 1.375 ( -12.075 1.528 -8.840) 15.043 1.648 ( -1.987 -1.340 1.269) 2.712 1.778 ( 0.457 -1.560 3.160) 3.553 1.821 ( -2.666 -1.169 6.922) 7.509 1.873 ( -5.508 -2.222 9.117) 10.881 2.236 ( -1.931 1.354 0.051) 2.359 2.296 ( 2.653 -0.581 -4.094) 4.913 2.344 ( 1.473 -1.523 -1.216) 2.444 2.390 ( -1.012 -0.091 -0.644) 1.203 2.487 ( -0.200 -1.025 -8.797) 8.859 2.523 ( 0.804 1.458 -6.681) 6.886 2.600 ( 2.025 0.210 -1.084) 2.306 2.676 ( 1.561 1.619 -0.125) 2.252 2.727 ( 0.793 -3.952 3.214) 5.155 2.832 ( 0.341 -0.808 1.110) 1.415 2.859 ( -0.000 -1.950 -0.306) 1.973 2.920 ( 0.941 -2.484 -1.268) 2.943 3.056 ( 3.624 -1.450 -2.091) 4.428 3.221 ( 9.459 -2.843 -2.079) 10.094 3.255 ( 5.329 1.261 -1.115) 5.589 3.714 ( -3.051 0.074 1.047) 3.226 3.790 ( 12.233 -0.623 0.145) 12.250 4.147 ( 0.172 1.588 0.490) 1.671 4.365 ( -5.305 1.457 -6.287) 8.354 4.440 ( -2.122 -1.386 3.225) 4.102 4.552 ( -3.968 2.411 1.708) 4.948 7.406 ( -9.656 0.388 12.250) 15.603 7.720 ( -15.720 -0.238 0.675) 15.736 8.151 ( 1.765 -0.340 -1.775) 2.526 8.168 ( -3.872 -0.645 -3.215) 5.074 8.302 ( -11.137 -0.247 -1.436) 11.231 8.526 ( -18.329 -1.498 -2.054) 18.504 8.698 ( 4.492 0.177 19.332) 19.848 9.495 ( -33.017 0.830 3.000) 33.163 9.620 ( 0.228 1.915 11.557) 11.716 9.969 ( -23.490 -4.104 -12.474) 26.912 10.634 ( -6.047 0.190 2.161) 6.424 10.689 ( -0.073 -0.783 -11.578) 11.605 10.766 ( -2.343 -0.050 -1.941) 3.043 11.043 ( -8.660 -0.340 -10.678) 13.752 11.110 ( -1.794 -0.088 4.517) 4.861 11.489 ( 2.690 0.207 6.180) 6.743 11.629 ( 1.042 5.395 16.875) 17.747 11.814 ( -6.348 -1.772 -9.059) 11.203 12.080 ( -0.218 0.563 -4.156) 4.200 12.160 ( -12.535 1.663 13.063) 18.181 13.146 ( -11.511 -20.906 19.839) 31.035 13.564 ( -2.452 -0.562 12.966) 13.208 13.970 ( 4.767 -1.399 4.615) 6.781 14.157 ( -2.871 -0.491 -4.535) 5.390 14.378 ( 4.838 -0.632 -5.047) 7.020 15.223 ( 5.853 -12.821 -27.299) 30.723 15.905 ( 6.039 -2.570 12.222) 13.873 16.068 ( 8.309 -0.138 6.351) 10.459 16.375 ( 4.484 -2.490 -3.888) 6.436 16.755 ( 17.280 7.176 -14.799) 23.856 ======================= Grid point 136 (53/93) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -0.000 9.506 8.729) 12.905 0.648 ( -0.000 13.419 9.937) 16.698 0.990 ( -0.000 12.317 19.535) 23.094 1.188 ( -0.000 6.768 -1.378) 6.907 1.215 ( -0.000 0.960 -14.574) 14.606 1.648 ( 0.000 -2.025 1.849) 2.742 1.768 ( 0.000 -3.624 13.653) 14.126 1.812 ( -0.000 1.033 1.812) 2.085 1.849 ( 0.000 -1.652 6.540) 6.745 2.198 ( -0.000 1.799 0.635) 1.908 2.331 ( 0.000 -0.076 -1.268) 1.270 2.370 ( 0.000 -1.193 -2.102) 2.417 2.383 ( 0.000 -2.256 -3.140) 3.866 2.478 ( -0.000 1.613 -6.555) 6.751 2.521 ( -0.000 0.938 -11.269) 11.308 2.611 ( -0.000 1.008 -1.503) 1.809 2.680 ( -0.000 2.140 0.939) 2.337 2.766 ( 0.000 -4.248 6.197) 7.513 2.841 ( -0.000 0.730 -1.616) 1.773 2.879 ( 0.000 -4.250 2.151) 4.763 2.946 ( 0.000 -2.143 -1.697) 2.734 3.107 ( 0.000 -1.678 -5.781) 6.020 3.278 ( -0.000 3.348 0.020) 3.348 3.379 ( 0.000 -3.517 -7.290) 8.094 3.672 ( 0.000 -0.620 3.157) 3.217 3.950 ( 0.000 -0.687 -3.748) 3.811 4.136 ( -0.000 1.329 0.213) 1.346 4.247 ( -0.000 1.384 -1.190) 1.825 4.434 ( 0.000 -1.429 2.455) 2.840 4.528 ( -0.000 1.532 -0.786) 1.722 7.312 ( -0.000 0.267 11.717) 11.720 7.568 ( 0.000 -0.197 0.454) 0.495 8.048 ( 0.000 -0.539 0.819) 0.981 8.242 ( 0.000 -0.775 -2.187) 2.320 8.261 ( 0.000 -0.572 -5.981) 6.008 8.329 ( 0.000 -0.335 -0.240) 0.412 8.762 ( -0.000 0.275 20.342) 20.343 9.128 ( -0.000 0.869 2.189) 2.356 9.494 ( -0.000 0.643 -7.484) 7.512 9.816 ( 0.000 -3.519 11.892) 12.401 10.571 ( -0.000 0.199 2.002) 2.012 10.712 ( 0.000 -1.967 -8.940) 9.154 10.751 ( -0.000 0.001 -2.227) 2.227 10.957 ( 0.000 -0.289 -10.792) 10.796 11.096 ( 0.000 -0.121 3.948) 3.949 11.494 ( -0.000 0.418 1.208) 1.278 11.588 ( -0.000 2.776 17.046) 17.270 11.906 ( 0.000 -0.027 -5.578) 5.578 11.909 ( 0.000 -4.250 34.026) 34.291 12.074 ( -0.000 0.607 -2.651) 2.719 13.185 ( 0.000 -17.928 23.773) 29.775 13.544 ( 0.000 -0.363 12.242) 12.247 14.026 ( 0.000 -1.370 4.717) 4.912 14.129 ( 0.000 -0.174 -4.675) 4.678 14.429 ( 0.000 -0.788 -4.611) 4.678 15.388 ( 0.000 -12.940 -25.490) 28.587 15.979 ( 0.000 -1.603 10.542) 10.663 16.153 ( 0.000 -1.717 5.513) 5.774 16.435 ( 0.000 -2.169 -3.752) 4.334 16.881 ( -0.000 8.020 -21.659) 23.096 ======================= Grid point 141 (54/93) ======================= q-point: (-0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -7.552 -0.000 -0.079) 7.553 1.394 ( -7.731 -0.000 8.370) 11.394 1.529 ( 2.085 0.000 -3.146) 3.774 1.628 ( 0.433 0.000 4.093) 4.116 1.686 ( 2.617 0.000 0.127) 2.620 1.717 ( 2.830 0.000 4.491) 5.309 1.843 ( -5.206 -0.000 -3.357) 6.195 1.978 ( 5.555 0.000 -1.387) 5.726 2.110 ( -9.582 -0.000 -0.321) 9.588 2.224 ( 0.391 0.000 -3.532) 3.553 2.271 ( 3.169 0.000 -4.205) 5.265 2.315 ( 3.009 0.000 -0.755) 3.102 2.412 ( -8.033 -0.000 -0.169) 8.035 2.442 ( -1.169 -0.000 -0.070) 1.172 2.498 ( -0.224 -0.000 2.536) 2.546 2.544 ( 2.393 0.000 0.522) 2.450 2.624 ( 2.533 0.000 0.781) 2.651 2.628 ( -2.117 -0.000 3.032) 3.698 2.749 ( 0.079 0.000 -2.575) 2.576 2.794 ( -2.009 -0.000 4.817) 5.219 2.846 ( 0.187 0.000 -2.000) 2.009 2.901 ( 0.340 0.000 3.534) 3.551 2.927 ( 2.396 0.000 1.522) 2.839 3.072 ( 7.010 0.000 4.208) 8.176 3.191 ( -9.201 -0.000 -1.883) 9.392 3.653 ( 6.801 0.000 -6.915) 9.699 4.283 ( 1.990 0.000 -1.980) 2.807 4.296 ( -2.790 -0.000 -4.989) 5.716 4.683 ( -3.797 -0.000 8.888) 9.665 4.977 ( 0.881 0.000 -1.165) 1.460 8.151 ( -2.966 -0.000 0.445) 2.999 8.173 ( -8.947 -0.000 13.056) 15.827 8.249 ( -0.052 -0.000 4.445) 4.446 8.488 ( 0.131 0.000 11.135) 11.136 8.649 ( -10.207 -0.000 4.323) 11.085 9.142 ( 12.423 0.000 1.378) 12.499 9.888 ( -21.883 -0.000 1.893) 21.964 9.936 ( -20.527 -0.000 -0.974) 20.550 10.549 ( -8.774 -0.000 -8.637) 12.312 10.829 ( -4.630 -0.000 -6.184) 7.725 11.020 ( -4.153 -0.000 0.106) 4.155 11.082 ( 0.851 0.000 -2.497) 2.638 11.129 ( -4.079 -0.000 0.378) 4.097 11.187 ( 6.750 0.000 0.081) 6.750 11.259 ( 2.949 0.000 6.711) 7.330 11.659 ( 23.136 0.000 -6.235) 23.961 12.182 ( -22.515 -0.000 -13.602) 26.305 12.331 ( -11.243 -0.000 -11.339) 15.968 12.429 ( -31.618 -0.000 0.542) 31.622 12.535 ( -7.203 -0.000 -4.017) 8.247 13.368 ( 12.943 0.000 -0.653) 12.959 13.529 ( 9.253 0.000 -4.038) 10.095 13.828 ( -7.314 -0.000 15.129) 16.804 13.930 ( 5.295 0.000 1.815) 5.598 14.499 ( -25.847 -0.000 -1.890) 25.916 14.822 ( 1.851 0.000 1.171) 2.190 15.084 ( 19.000 0.000 15.727) 24.665 15.531 ( -5.128 -0.000 0.263) 5.135 15.766 ( 12.829 0.000 -2.779) 13.126 15.972 ( 12.844 0.000 -8.705) 15.516 ======================= Grid point 143 (55/93) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -5.151 5.772 3.806) 8.622 1.281 ( -4.434 -1.036 7.295) 8.600 1.468 ( -5.399 0.975 -9.463) 10.938 1.643 ( 1.201 0.463 2.678) 2.972 1.681 ( -1.886 -1.022 -1.589) 2.670 1.742 ( -1.700 -1.438 2.017) 3.004 1.838 ( -1.207 -0.762 3.718) 3.983 1.906 ( -11.791 -0.546 2.930) 12.162 2.071 ( 1.079 -0.847 -2.642) 2.977 2.233 ( -1.024 -0.135 2.437) 2.647 2.250 ( -3.458 0.379 1.456) 3.771 2.333 ( 0.607 0.917 -5.397) 5.508 2.353 ( 0.572 -1.729 -4.624) 4.969 2.427 ( 1.896 1.500 -1.400) 2.794 2.498 ( 0.511 0.102 2.114) 2.178 2.539 ( -2.332 -0.402 0.054) 2.367 2.608 ( -0.380 -1.219 1.321) 1.837 2.665 ( 0.662 -0.429 -1.094) 1.349 2.768 ( 1.472 0.045 3.382) 3.689 2.788 ( 1.725 -0.420 -0.367) 1.813 2.836 ( -0.276 -0.399 -3.811) 3.842 2.929 ( 2.285 0.307 3.021) 3.800 2.958 ( 1.504 -0.690 1.991) 2.589 3.086 ( 0.223 0.129 -3.084) 3.095 3.278 ( 12.589 -0.133 6.268) 14.064 3.757 ( 4.194 0.192 -6.459) 7.703 4.237 ( -3.085 0.640 -2.504) 4.024 4.324 ( 2.134 -0.754 -2.797) 3.598 4.590 ( -6.131 -0.069 9.022) 10.909 4.936 ( -4.958 1.184 -1.914) 5.445 7.946 ( -15.191 0.038 15.563) 21.748 8.104 ( -1.837 -0.006 0.454) 1.893 8.230 ( -2.375 -0.293 -3.989) 4.652 8.388 ( -11.858 0.174 3.569) 12.384 8.551 ( -0.498 -0.015 12.285) 12.295 9.339 ( 9.878 0.634 9.280) 13.568 9.374 ( -32.596 0.369 1.291) 32.623 9.453 ( -29.717 -0.234 -2.883) 29.858 10.435 ( -4.878 -0.155 -13.706) 14.549 10.732 ( -7.622 -0.342 -4.338) 8.777 10.897 ( -8.628 0.187 -1.822) 8.821 10.975 ( -12.069 0.063 -0.227) 12.072 11.061 ( -4.883 0.295 -3.679) 6.121 11.296 ( 3.784 0.056 -1.141) 3.953 11.349 ( 5.795 1.182 16.224) 17.269 11.590 ( -39.681 0.304 6.189) 40.162 11.793 ( -17.203 -0.137 -15.415) 23.100 12.097 ( 8.400 1.250 -9.215) 12.531 12.233 ( 4.933 1.853 -6.919) 8.697 12.338 ( -13.750 0.201 -7.795) 15.807 13.447 ( -24.349 -5.405 9.513) 26.694 13.627 ( 12.732 0.028 4.565) 13.525 13.717 ( -5.803 -0.414 18.106) 19.017 14.057 ( 7.553 1.028 -7.277) 10.539 14.176 ( -4.207 -3.926 -6.199) 8.458 14.841 ( -0.226 -1.435 -12.523) 12.607 15.491 ( 22.220 -0.376 10.798) 24.708 15.546 ( 6.304 -0.216 9.670) 11.546 15.996 ( 11.708 -0.897 -3.392) 12.222 16.226 ( 16.082 1.703 -8.094) 18.084 ======================= Grid point 144 (56/93) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -3.798 8.384 6.056) 11.018 1.215 ( -2.914 5.360 4.904) 7.827 1.382 ( -1.992 3.630 -6.131) 7.398 1.544 ( -17.627 -0.733 -1.507) 17.706 1.606 ( -10.335 -0.956 -0.158) 10.380 1.687 ( -5.262 -1.662 -1.946) 5.851 1.702 ( 1.161 -2.481 2.032) 3.411 1.848 ( -1.388 0.563 9.759) 9.874 1.958 ( -10.241 -2.424 4.634) 11.499 2.244 ( 3.140 0.640 -0.093) 3.205 2.279 ( 2.255 0.016 2.389) 3.285 2.298 ( -2.104 -0.343 -3.500) 4.098 2.413 ( 2.994 -2.162 -11.559) 12.135 2.435 ( -1.068 2.425 -0.696) 2.740 2.521 ( 1.765 -0.358 -2.649) 3.203 2.531 ( 2.223 -0.848 0.040) 2.380 2.621 ( -0.181 -3.087 2.074) 3.723 2.679 ( 1.773 0.674 -0.902) 2.100 2.807 ( 1.379 -0.155 2.212) 2.611 2.829 ( 1.721 -0.055 -1.331) 2.176 2.840 ( 0.717 -1.818 -0.932) 2.165 2.973 ( 2.982 0.083 2.815) 4.102 3.019 ( 4.091 -2.006 0.878) 4.640 3.161 ( 7.253 0.720 -3.542) 8.104 3.526 ( 14.042 -0.188 3.947) 14.588 3.783 ( -1.448 0.275 -3.374) 3.682 4.188 ( -1.178 1.052 0.012) 1.579 4.372 ( 2.387 -0.476 -4.311) 4.951 4.481 ( -5.487 -0.659 6.658) 8.653 4.782 ( -9.991 2.235 -1.507) 10.348 7.653 ( -15.589 0.268 13.385) 20.549 8.070 ( -19.453 -0.123 0.494) 19.460 8.098 ( -0.209 0.064 0.084) 0.234 8.193 ( -1.684 -0.503 -5.646) 5.913 8.579 ( 0.147 -0.098 15.219) 15.220 8.778 ( -27.723 0.395 3.248) 27.916 8.921 ( -27.268 -0.622 -3.098) 27.451 9.514 ( 9.696 1.296 14.918) 17.840 10.288 ( -41.270 0.091 -3.372) 41.408 10.304 ( -15.376 -0.307 -14.044) 20.827 10.735 ( -7.126 -0.161 -9.865) 12.171 10.758 ( -6.834 0.208 0.232) 6.841 10.882 ( -10.557 0.355 -0.742) 10.588 11.171 ( -6.678 0.143 7.809) 10.276 11.235 ( -11.004 0.012 -6.316) 12.688 11.422 ( 4.292 0.370 5.723) 7.164 11.672 ( 3.443 2.384 5.941) 7.268 12.049 ( -16.944 0.235 -12.422) 21.011 12.098 ( -1.114 0.138 -8.952) 9.022 12.419 ( 6.869 9.189 -1.838) 11.619 12.962 ( -28.276 -17.657 22.565) 40.255 13.613 ( -4.629 -0.454 15.547) 16.227 13.823 ( 8.300 -0.660 4.701) 9.562 14.161 ( 1.860 -0.995 -6.578) 6.908 14.255 ( 6.709 -0.584 -6.093) 9.082 14.888 ( 3.320 -5.534 -25.319) 26.129 15.707 ( 9.171 -1.252 13.501) 16.369 15.850 ( 16.262 -0.012 8.422) 18.313 16.197 ( 8.845 -1.750 -3.695) 9.744 16.532 ( 19.189 3.062 -9.515) 21.636 ======================= Grid point 145 (57/93) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -10.054 10.761 4.029) 15.268 0.976 ( -10.524 7.055 7.586) 14.767 1.281 ( -5.604 2.871 2.490) 6.771 1.331 ( -1.929 6.568 -7.043) 9.822 1.400 ( -10.025 1.707 -3.867) 10.880 1.631 ( -1.902 -0.741 0.526) 2.108 1.739 ( -0.599 -2.650 4.593) 5.336 1.783 ( -5.553 -2.719 8.046) 10.147 1.863 ( -0.848 -0.069 8.634) 8.676 2.254 ( -2.111 0.605 -3.289) 3.955 2.295 ( 2.744 0.436 -1.619) 3.216 2.321 ( 1.342 -1.177 0.147) 1.791 2.387 ( -2.550 -0.155 0.943) 2.723 2.469 ( 1.493 -1.006 -10.612) 10.764 2.550 ( 1.579 1.782 -4.958) 5.500 2.596 ( 3.045 -0.959 -0.349) 3.211 2.651 ( 0.418 -3.533 1.845) 4.008 2.710 ( 1.830 1.224 -1.615) 2.730 2.800 ( -1.554 -2.364 0.613) 2.895 2.853 ( 0.660 0.432 -1.869) 2.029 2.890 ( 2.019 -1.354 1.913) 3.094 3.033 ( 2.703 -1.215 2.664) 3.985 3.149 ( 7.079 -4.781 -2.498) 8.900 3.287 ( 6.337 1.832 -2.920) 7.214 3.712 ( -4.396 -0.192 1.266) 4.578 3.781 ( 12.491 -0.453 0.037) 12.499 4.175 ( 0.521 1.742 -0.053) 1.819 4.384 ( -3.054 0.917 -6.536) 7.272 4.418 ( -2.318 -1.214 3.161) 4.104 4.588 ( -6.223 1.914 1.130) 6.608 7.412 ( -9.794 0.309 12.132) 15.595 7.717 ( -15.784 -0.164 0.625) 15.797 8.147 ( -1.398 -0.229 -2.574) 2.938 8.158 ( -0.341 -0.517 -2.799) 2.867 8.298 ( -11.877 -0.208 -1.568) 11.982 8.507 ( -17.821 -0.864 -1.586) 17.912 8.701 ( 4.714 0.197 19.753) 20.309 9.510 ( -33.865 0.914 2.464) 33.967 9.647 ( 1.045 1.362 11.981) 12.103 9.922 ( -23.748 -1.883 -9.001) 25.466 10.638 ( -6.009 0.225 1.998) 6.337 10.684 ( 0.032 0.018 -15.645) 15.645 10.765 ( -2.587 -0.108 -1.917) 3.221 11.037 ( -8.767 -0.338 -11.042) 14.103 11.109 ( -1.827 -0.080 4.534) 4.889 11.490 ( 2.645 -0.011 5.592) 6.185 11.700 ( -5.344 2.830 15.578) 16.711 11.805 ( -0.911 0.839 -6.068) 6.193 12.087 ( -0.022 0.395 -4.485) 4.502 12.205 ( -16.111 3.749 22.850) 28.209 12.895 ( 0.126 -11.763 4.498) 12.594 13.555 ( -2.220 -0.435 13.144) 13.338 13.947 ( 4.403 -1.402 4.123) 6.193 14.149 ( -2.222 -0.448 -4.746) 5.259 14.371 ( 4.752 -0.251 -5.159) 7.018 15.032 ( 4.253 -10.235 -30.798) 32.731 15.861 ( 5.508 -2.545 13.533) 14.831 16.074 ( 8.367 0.511 7.571) 11.295 16.337 ( 4.686 -2.116 -3.715) 6.344 16.838 ( 15.466 3.509 -13.563) 20.868 ======================= Grid point 146 (58/93) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -0.000 8.554 5.794) 10.332 0.855 ( -0.000 12.023 9.193) 15.135 1.190 ( -0.000 11.839 9.273) 15.039 1.224 ( -0.000 0.014 -13.011) 13.011 1.303 ( -0.000 7.069 -3.448) 7.865 1.623 ( 0.000 -0.975 1.467) 1.761 1.713 ( 0.000 -3.087 12.899) 13.263 1.786 ( 0.000 -3.016 2.530) 3.936 1.857 ( -0.000 1.097 6.962) 7.048 2.223 ( -0.000 1.196 -1.802) 2.163 2.331 ( -0.000 0.035 -2.246) 2.246 2.350 ( 0.000 -1.083 0.449) 1.172 2.352 ( 0.000 -1.601 -0.698) 1.746 2.485 ( 0.000 -0.122 -10.349) 10.350 2.548 ( -0.000 2.074 -6.075) 6.419 2.624 ( -0.000 0.659 0.369) 0.755 2.693 ( 0.000 -4.941 2.393) 5.490 2.715 ( -0.000 2.081 -0.807) 2.232 2.809 ( 0.000 -4.012 1.139) 4.171 2.853 ( -0.000 0.690 -1.541) 1.689 2.919 ( 0.000 -1.339 -0.069) 1.341 3.074 ( 0.000 -2.002 0.956) 2.218 3.288 ( 0.000 -6.966 -5.776) 9.049 3.330 ( -0.000 2.822 -1.854) 3.376 3.661 ( 0.000 -0.632 3.148) 3.211 3.939 ( 0.000 -0.681 -3.732) 3.794 4.165 ( -0.000 2.100 -0.298) 2.121 4.282 ( -0.000 2.508 -3.730) 4.495 4.409 ( 0.000 -1.606 2.985) 3.390 4.550 ( -0.000 1.145 -0.863) 1.434 7.316 ( -0.000 0.271 11.629) 11.632 7.565 ( 0.000 -0.202 0.472) 0.514 8.039 ( 0.000 -0.535 0.911) 1.057 8.232 ( 0.000 -0.521 -2.831) 2.879 8.251 ( 0.000 -0.634 -6.318) 6.350 8.324 ( 0.000 -0.337 -0.156) 0.371 8.767 ( -0.000 0.388 21.183) 21.187 9.143 ( -0.000 0.870 2.065) 2.241 9.504 ( -0.000 0.638 -7.498) 7.525 9.789 ( 0.000 -0.342 15.889) 15.892 10.575 ( -0.000 0.205 1.954) 1.965 10.694 ( 0.000 -0.339 -14.214) 14.218 10.749 ( 0.000 -0.211 -2.811) 2.819 10.952 ( 0.000 -0.293 -10.600) 10.604 11.094 ( 0.000 -0.118 3.979) 3.981 11.501 ( -0.000 0.424 1.131) 1.207 11.607 ( 0.000 -0.051 16.922) 16.922 11.905 ( 0.000 -0.024 -5.612) 5.612 11.934 ( -0.000 5.672 36.245) 36.686 12.084 ( -0.000 0.598 -2.754) 2.818 12.984 ( 0.000 -9.380 4.217) 10.285 13.538 ( 0.000 -0.366 12.338) 12.343 14.001 ( 0.000 -1.687 4.324) 4.641 14.126 ( 0.000 -0.175 -4.695) 4.698 14.418 ( 0.000 -0.512 -4.806) 4.833 15.171 ( 0.000 -13.095 -30.730) 33.404 15.936 ( 0.000 -3.180 12.858) 13.245 16.146 ( -0.000 0.410 6.950) 6.962 16.398 ( 0.000 -2.308 -3.640) 4.310 16.967 ( -0.000 3.570 -17.235) 17.601 ======================= Grid point 153 (59/93) ======================= q-point: (-0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -4.665 -0.000 10.769) 11.736 1.267 ( 2.104 0.000 -2.393) 3.186 1.416 ( -0.820 -0.000 -6.329) 6.382 1.530 ( -23.451 -0.000 -0.076) 23.451 1.593 ( -7.378 -0.000 -1.899) 7.618 1.672 ( -4.274 -0.000 -3.219) 5.351 1.678 ( 1.231 0.000 3.199) 3.428 1.857 ( -0.654 -0.000 11.268) 11.287 1.936 ( -11.277 -0.000 4.148) 12.016 2.248 ( 3.315 0.000 1.267) 3.549 2.280 ( 2.270 0.000 1.811) 2.904 2.295 ( -2.306 -0.000 -3.310) 4.034 2.395 ( 3.234 0.000 -11.736) 12.173 2.464 ( -4.599 -0.000 -0.789) 4.666 2.510 ( 4.315 0.000 -3.150) 5.342 2.525 ( 2.788 0.000 0.806) 2.902 2.596 ( 0.027 0.000 1.856) 1.856 2.685 ( 1.895 0.000 -0.866) 2.084 2.809 ( 3.313 0.000 5.499) 6.420 2.815 ( -2.118 -0.000 -2.765) 3.483 2.834 ( 2.440 0.000 -2.157) 3.257 2.976 ( 2.532 0.000 3.147) 4.039 3.000 ( 3.632 0.000 1.049) 3.780 3.167 ( 7.479 0.000 -4.268) 8.612 3.524 ( 14.090 0.000 4.039) 14.658 3.785 ( -1.662 -0.000 -3.511) 3.884 4.197 ( -1.087 -0.000 -0.304) 1.129 4.368 ( 2.802 0.000 -4.213) 5.059 4.475 ( -5.746 -0.000 7.099) 9.133 4.800 ( -10.164 -0.000 -1.828) 10.327 7.656 ( -15.567 -0.000 13.407) 20.545 8.069 ( -18.595 -0.000 0.249) 18.597 8.099 ( -1.173 -0.000 0.264) 1.203 8.189 ( -1.695 -0.000 -5.728) 5.974 8.579 ( 0.119 0.000 15.248) 15.248 8.781 ( -27.811 -0.000 3.180) 27.993 8.916 ( -27.353 -0.000 -2.959) 27.512 9.525 ( 9.731 0.000 14.911) 17.805 10.289 ( -43.030 -0.000 -2.410) 43.098 10.301 ( -13.581 -0.000 -15.314) 20.468 10.734 ( -7.100 -0.000 -10.537) 12.706 10.760 ( -7.079 -0.000 0.140) 7.081 10.885 ( -10.816 -0.000 -0.624) 10.834 11.172 ( -6.848 -0.000 8.091) 10.600 11.235 ( -11.321 -0.000 -7.302) 13.471 11.424 ( 3.785 0.000 5.412) 6.604 11.693 ( 4.751 0.000 7.423) 8.813 12.051 ( -17.378 -0.000 -12.209) 21.238 12.099 ( -1.081 -0.000 -9.160) 9.224 12.524 ( 15.453 0.000 -7.977) 17.391 12.789 ( -36.319 -0.000 29.097) 46.537 13.610 ( -4.611 -0.000 15.680) 16.344 13.817 ( 8.074 0.000 4.486) 9.237 14.152 ( 1.716 0.000 -7.249) 7.449 14.250 ( 7.805 0.000 -6.092) 9.901 14.843 ( 2.176 0.000 -25.528) 25.621 15.696 ( 8.808 0.000 13.550) 16.161 15.850 ( 16.554 0.000 8.780) 18.738 16.182 ( 8.914 0.000 -3.524) 9.585 16.557 ( 18.947 0.000 -9.626) 21.252 ======================= Grid point 155 (60/93) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -18.875 3.042 2.863) 19.332 1.088 ( -5.255 5.263 8.869) 11.574 1.293 ( -3.896 -0.644 -4.743) 6.172 1.409 ( -0.285 2.844 -6.518) 7.118 1.425 ( -5.939 0.793 -4.142) 7.284 1.624 ( -1.041 -0.207 0.289) 1.101 1.704 ( 0.714 -1.429 4.668) 4.934 1.757 ( -7.516 -0.443 8.753) 11.545 1.856 ( 0.096 -0.629 10.415) 10.434 2.257 ( -1.888 -0.001 -5.978) 6.269 2.299 ( 1.926 -0.112 -1.243) 2.294 2.312 ( 1.427 0.111 3.055) 3.374 2.386 ( -3.046 0.005 1.396) 3.350 2.457 ( 2.448 -0.430 -11.100) 11.375 2.565 ( 2.340 -0.834 -3.974) 4.686 2.587 ( 2.429 1.423 -0.236) 2.825 2.614 ( 1.374 -1.580 -0.322) 2.118 2.724 ( 2.044 0.489 -1.931) 2.854 2.770 ( -2.648 -1.101 -0.617) 2.934 2.859 ( 0.927 0.127 -1.367) 1.657 2.876 ( 2.539 -0.338 5.021) 5.636 3.021 ( 2.196 -0.316 3.893) 4.481 3.089 ( 4.834 -2.265 -1.991) 5.698 3.308 ( 6.813 0.664 -4.054) 7.956 3.709 ( -5.234 -0.110 1.438) 5.429 3.776 ( 12.821 -0.164 0.005) 12.822 4.196 ( 0.808 0.751 -0.421) 1.181 4.395 ( -1.992 0.471 -3.227) 3.821 4.403 ( -2.063 -0.664 0.012) 2.167 4.610 ( -7.527 0.713 0.576) 7.583 7.415 ( -9.870 0.117 12.059) 15.583 7.715 ( -15.826 -0.060 0.596) 15.837 8.144 ( -5.505 -0.094 -3.495) 6.521 8.152 ( 3.972 -0.188 -2.049) 4.473 8.296 ( -12.321 -0.080 -1.605) 12.426 8.498 ( -17.611 -0.276 -1.398) 17.669 8.703 ( 4.853 0.087 20.008) 20.589 9.521 ( -34.960 0.401 1.931) 35.016 9.661 ( 1.933 0.468 12.317) 12.477 9.904 ( -23.298 -0.510 -7.487) 24.477 10.640 ( -6.139 0.108 2.301) 6.557 10.686 ( 0.477 0.110 -18.879) 18.885 10.763 ( -2.885 -0.071 -1.648) 3.324 11.033 ( -8.795 -0.135 -11.073) 14.142 11.108 ( -1.835 -0.032 4.552) 4.908 11.490 ( 2.727 -0.014 5.359) 6.013 11.721 ( -11.609 0.370 9.647) 15.099 11.826 ( 4.197 1.004 -0.633) 4.362 12.092 ( 0.106 0.150 -4.656) 4.659 12.264 ( -18.243 2.733 34.452) 39.079 12.758 ( 6.651 -4.903 -8.528) 11.874 13.550 ( -2.086 -0.164 13.247) 13.412 13.930 ( 4.120 -0.626 3.672) 5.554 14.143 ( -1.760 -0.191 -4.925) 5.233 14.369 ( 4.681 -0.025 -5.134) 6.948 14.916 ( 3.261 -3.831 -32.131) 32.522 15.832 ( 5.154 -0.971 13.943) 14.897 16.080 ( 8.588 0.233 8.277) 11.930 16.312 ( 4.834 -0.829 -3.611) 6.090 16.874 ( 14.596 1.115 -13.006) 19.582 ======================= Grid point 156 (61/93) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.000 5.503 3.877) 6.732 1.018 ( -0.000 7.710 9.967) 12.601 1.215 ( 0.000 -0.910 -10.863) 10.901 1.346 ( -0.000 7.044 0.109) 7.044 1.399 ( -0.000 4.386 -4.938) 6.605 1.622 ( -0.000 0.960 1.398) 1.696 1.675 ( 0.000 -1.605 11.824) 11.932 1.736 ( 0.000 -2.933 3.729) 4.744 1.863 ( 0.000 -0.338 8.743) 8.750 2.236 ( -0.000 0.366 -5.639) 5.650 2.320 ( 0.000 -1.025 -2.052) 2.293 2.334 ( 0.000 -0.617 3.013) 3.076 2.350 ( -0.000 0.714 1.368) 1.544 2.482 ( 0.000 -0.208 -10.280) 10.282 2.583 ( -0.000 1.996 -5.953) 6.279 2.620 ( 0.000 -3.470 -0.751) 3.550 2.632 ( -0.000 0.342 1.205) 1.252 2.742 ( -0.000 1.239 -1.581) 2.009 2.754 ( 0.000 -2.915 -0.179) 2.921 2.862 ( -0.000 0.407 -1.483) 1.538 2.904 ( 0.000 -0.468 4.025) 4.052 3.050 ( 0.000 -1.032 4.184) 4.309 3.179 ( 0.000 -5.787 -4.267) 7.190 3.366 ( -0.000 1.582 -3.251) 3.616 3.653 ( 0.000 -0.398 3.148) 3.173 3.930 ( 0.000 -0.417 -3.720) 3.744 4.196 ( -0.000 1.579 -0.679) 1.719 4.317 ( -0.000 1.739 -5.137) 5.423 4.386 ( 0.000 -1.127 3.193) 3.386 4.563 ( -0.000 0.536 -0.853) 1.007 7.320 ( -0.000 0.170 11.557) 11.558 7.562 ( 0.000 -0.127 0.484) 0.500 8.032 ( 0.000 -0.329 0.987) 1.040 8.226 ( 0.000 -0.244 -3.139) 3.148 8.242 ( 0.000 -0.440 -6.533) 6.548 8.319 ( 0.000 -0.209 -0.086) 0.226 8.773 ( -0.000 0.286 21.879) 21.881 9.154 ( -0.000 0.539 1.964) 2.037 9.513 ( -0.000 0.392 -7.508) 7.519 9.792 ( -0.000 0.391 17.067) 17.071 10.577 ( -0.000 0.130 1.915) 1.919 10.696 ( -0.000 0.384 -19.011) 19.015 10.744 ( 0.000 -0.368 -2.464) 2.491 10.948 ( 0.000 -0.183 -10.440) 10.442 11.092 ( 0.000 -0.071 4.004) 4.005 11.506 ( -0.000 0.265 1.064) 1.096 11.602 ( 0.000 -0.342 16.219) 16.223 11.905 ( 0.000 -0.014 -5.642) 5.642 12.038 ( -0.000 6.094 40.859) 41.311 12.092 ( -0.000 0.366 -2.833) 2.857 12.860 ( 0.000 -6.005 -7.086) 9.288 13.533 ( 0.000 -0.227 12.417) 12.419 13.976 ( 0.000 -1.280 3.848) 4.055 14.123 ( 0.000 -0.109 -4.711) 4.712 14.413 ( 0.000 -0.159 -4.871) 4.874 14.997 ( 0.000 -7.911 -33.213) 34.142 15.892 ( 0.000 -2.064 13.727) 13.882 16.155 ( -0.000 0.553 8.032) 8.051 16.366 ( 0.000 -1.469 -3.605) 3.893 17.008 ( -0.000 1.636 -15.338) 15.425 ======================= Grid point 166 (62/93) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.000 0.000 3.106) 3.106 1.083 ( -0.000 0.000 10.720) 10.720 1.205 ( -0.000 0.000 -9.703) 9.703 1.405 ( -0.000 0.000 -6.622) 6.622 1.432 ( -0.000 0.000 -2.632) 2.632 1.638 ( -0.000 0.000 -0.506) 0.506 1.662 ( -0.000 0.000 11.225) 11.225 1.707 ( -0.000 0.000 5.449) 5.449 1.857 ( -0.000 0.000 10.359) 10.359 2.238 ( -0.000 0.000 -7.500) 7.500 2.311 ( -0.000 0.000 -1.409) 1.409 2.330 ( -0.000 0.000 4.807) 4.807 2.357 ( -0.000 0.000 1.107) 1.107 2.480 ( -0.000 0.000 -9.859) 9.859 2.584 ( -0.000 0.000 -4.705) 4.705 2.611 ( 0.000 -0.000 -3.919) 3.919 2.635 ( -0.000 0.000 1.441) 1.441 2.725 ( -0.000 0.000 -0.481) 0.481 2.753 ( -0.000 0.000 -1.800) 1.800 2.865 ( -0.000 0.000 -1.461) 1.461 2.901 ( -0.000 0.000 6.351) 6.351 3.042 ( -0.000 0.000 4.762) 4.762 3.128 ( -0.000 0.000 -3.763) 3.763 3.379 ( -0.000 0.000 -3.764) 3.764 3.650 ( -0.000 0.000 3.150) 3.150 3.927 ( -0.000 0.000 -3.716) 3.716 4.210 ( -0.000 0.000 -0.823) 0.823 4.333 ( -0.000 0.000 -5.727) 5.727 4.376 ( -0.000 0.000 3.443) 3.443 4.568 ( -0.000 0.000 -0.849) 0.849 7.322 ( -0.000 0.000 11.529) 11.529 7.561 ( -0.000 0.000 0.487) 0.487 8.029 ( -0.000 0.000 1.016) 1.016 8.224 ( -0.000 0.000 -3.170) 3.170 8.239 ( -0.000 0.000 -6.658) 6.658 8.318 ( -0.000 0.000 -0.059) 0.059 8.775 ( -0.000 0.000 22.146) 22.146 9.159 ( -0.000 0.000 1.926) 1.926 9.516 ( -0.000 0.000 -7.512) 7.512 9.796 ( -0.000 0.000 17.367) 17.367 10.578 ( -0.000 0.000 1.900) 1.900 10.700 ( -0.000 0.000 -21.831) 21.831 10.740 ( -0.000 0.000 -1.279) 1.279 10.947 ( -0.000 0.000 -10.378) 10.378 11.091 ( -0.000 0.000 4.014) 4.014 11.509 ( -0.000 0.000 1.037) 1.037 11.599 ( -0.000 0.000 15.854) 15.854 11.905 ( -0.000 0.000 -5.654) 5.654 12.093 ( -0.000 0.000 44.687) 44.687 12.095 ( -0.000 0.000 -2.863) 2.863 12.807 ( -0.000 0.000 -12.552) 12.552 13.531 ( -0.000 0.000 12.447) 12.447 13.965 ( -0.000 0.000 3.605) 3.605 14.122 ( -0.000 0.000 -4.717) 4.717 14.412 ( -0.000 0.000 -4.841) 4.841 14.932 ( -0.000 0.000 -33.835) 33.835 15.875 ( -0.000 0.000 13.952) 13.952 16.160 ( -0.000 0.000 8.388) 8.388 16.354 ( -0.000 0.000 -3.589) 3.589 17.021 ( -0.000 0.000 -14.817) 14.817 ======================= Grid point 214 (63/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 16.288) 16.288 0.641 ( 0.000 0.000 14.561) 14.561 0.863 ( 0.000 0.000 -9.278) 9.278 0.898 ( 0.000 0.000 -16.184) 16.184 1.458 ( 0.000 0.000 25.664) 25.664 1.705 ( 0.000 0.000 -4.659) 4.659 1.859 ( 0.000 0.000 10.953) 10.953 2.068 ( 0.000 0.000 9.129) 9.129 2.086 ( 0.000 0.000 10.497) 10.497 2.175 ( 0.000 0.000 -0.129) 0.129 2.181 ( 0.000 0.000 -20.328) 20.328 2.246 ( 0.000 0.000 -8.962) 8.962 2.345 ( 0.000 0.000 -0.005) 0.005 2.351 ( 0.000 0.000 -1.129) 1.129 2.382 ( 0.000 0.000 -0.702) 0.702 2.453 ( 0.000 0.000 -7.468) 7.468 2.720 ( 0.000 0.000 3.939) 3.939 2.784 ( 0.000 0.000 -2.966) 2.966 2.905 ( 0.000 0.000 -1.111) 1.111 2.914 ( 0.000 0.000 -1.702) 1.702 3.039 ( 0.000 0.000 2.398) 2.398 3.070 ( 0.000 0.000 -0.820) 0.820 3.232 ( 0.000 0.000 2.950) 2.950 3.291 ( 0.000 0.000 -3.451) 3.451 3.765 ( 0.000 0.000 5.485) 5.485 3.872 ( 0.000 0.000 -5.845) 5.845 4.165 ( 0.000 0.000 2.858) 2.858 4.224 ( 0.000 0.000 -3.282) 3.282 4.472 ( 0.000 0.000 1.103) 1.103 4.488 ( 0.000 0.000 -0.706) 0.706 7.513 ( 0.000 0.000 7.855) 7.855 7.577 ( 0.000 0.000 -0.463) 0.463 8.129 ( 0.000 0.000 7.812) 7.812 8.222 ( 0.000 0.000 -0.547) 0.547 8.235 ( 0.000 0.000 -1.558) 1.558 8.283 ( 0.000 0.000 -6.340) 6.340 9.168 ( 0.000 0.000 24.485) 24.485 9.177 ( 0.000 0.000 5.084) 5.084 9.312 ( 0.000 0.000 -9.528) 9.528 9.618 ( 0.000 0.000 -23.590) 23.590 10.633 ( 0.000 0.000 5.323) 5.323 10.723 ( 0.000 0.000 -1.149) 1.149 10.727 ( 0.000 0.000 -1.078) 1.078 10.768 ( 0.000 0.000 -9.368) 9.368 11.209 ( 0.000 0.000 8.276) 8.276 11.387 ( 0.000 0.000 -10.064) 10.064 11.804 ( 0.000 0.000 15.447) 15.447 11.904 ( 0.000 0.000 4.296) 4.296 11.995 ( 0.000 0.000 -4.739) 4.739 12.056 ( 0.000 0.000 -11.804) 11.804 13.794 ( 0.000 0.000 13.138) 13.138 14.003 ( 0.000 0.000 -9.362) 9.362 14.169 ( 0.000 0.000 7.809) 7.809 14.317 ( 0.000 0.000 -7.890) 7.890 15.127 ( 0.000 0.000 2.795) 2.795 15.176 ( 0.000 0.000 -2.427) 2.427 16.065 ( 0.000 0.000 1.728) 1.728 16.096 ( 0.000 0.000 -1.591) 1.591 16.307 ( 0.000 0.000 5.203) 5.203 16.405 ( 0.000 0.000 -5.084) 5.084 ======================= Grid point 215 (64/93) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 6.663 -1.952 13.213) 14.926 0.858 ( 16.265 -1.652 7.402) 17.947 0.946 ( 11.277 -1.839 -5.377) 12.628 1.097 ( 17.443 -1.191 -12.425) 21.449 1.533 ( 8.419 0.120 22.186) 23.730 1.712 ( 1.627 1.385 -2.547) 3.324 1.837 ( -2.347 -1.093 11.013) 11.313 2.031 ( -1.710 1.216 10.079) 10.295 2.118 ( 3.110 -0.042 8.733) 9.270 2.170 ( -1.559 0.445 -16.732) 16.810 2.222 ( 2.712 1.746 -5.576) 6.442 2.240 ( 1.080 -0.547 -9.982) 10.056 2.323 ( -1.765 -0.471 -1.136) 2.152 2.332 ( -1.237 -0.964 -1.891) 2.457 2.440 ( 4.087 -0.655 0.910) 4.238 2.497 ( 3.165 -0.621 -4.903) 5.869 2.694 ( -2.643 -0.319 3.752) 4.601 2.753 ( -3.053 -0.319 -2.521) 3.972 2.881 ( -2.392 0.217 -0.603) 2.477 2.904 ( -2.104 -1.528 -2.670) 3.727 3.024 ( -0.256 2.668 2.656) 3.773 3.053 ( -0.003 3.336 -0.483) 3.371 3.192 ( -4.070 -1.073 2.904) 5.114 3.249 ( -4.571 -0.390 -3.295) 5.648 3.744 ( -2.357 0.026 2.623) 3.527 3.789 ( -8.033 0.159 -2.036) 8.288 4.171 ( 0.794 0.145 3.842) 3.926 4.255 ( 2.801 0.138 -4.837) 5.591 4.494 ( 2.517 -0.331 1.287) 2.846 4.508 ( 2.453 -0.676 -0.154) 2.550 7.629 ( 11.683 -0.030 10.052) 15.412 7.726 ( 15.053 0.080 -1.558) 15.134 8.138 ( 0.375 0.243 -0.654) 0.792 8.148 ( -3.708 0.216 -1.160) 3.891 8.355 ( 15.748 0.254 5.842) 16.799 8.484 ( 17.071 0.457 -6.680) 18.337 9.105 ( -3.368 -0.078 25.469) 25.691 9.549 ( 33.237 -0.051 4.528) 33.544 9.579 ( -3.061 -0.521 -18.161) 18.425 9.666 ( 30.559 0.479 -13.782) 33.527 10.682 ( -1.222 0.709 0.141) 1.420 10.701 ( 6.230 -0.262 2.671) 6.783 10.728 ( 0.727 0.168 0.361) 0.828 10.854 ( 7.268 0.158 -9.554) 12.005 11.245 ( 4.188 0.054 10.016) 10.856 11.460 ( 7.651 0.047 -11.458) 13.778 11.747 ( -8.053 -2.003 13.663) 15.986 11.838 ( -4.342 0.932 7.010) 8.298 11.952 ( -4.287 -1.050 -7.915) 9.062 12.022 ( -4.481 -2.056 -10.041) 11.186 13.830 ( 3.753 0.146 13.317) 13.836 14.034 ( 2.959 0.168 -8.519) 9.020 14.127 ( -4.302 0.539 7.617) 8.765 14.277 ( -4.318 0.640 -8.081) 9.185 14.911 ( -1.105 30.175 13.578) 33.107 15.150 ( -6.075 2.707 -13.290) 14.861 16.012 ( -6.372 -3.246 4.236) 8.312 16.092 ( -7.121 -10.742 -4.687) 13.714 16.230 ( -7.726 0.731 6.609) 10.193 16.348 ( -5.756 0.319 -6.004) 8.324 ======================= Grid point 216 (65/93) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 9.711 -1.988 11.174) 14.937 1.053 ( 9.153 -1.441 -5.677) 10.867 1.261 ( 13.872 -2.452 8.457) 16.430 1.407 ( 12.671 -1.505 -7.696) 14.901 1.739 ( 10.986 2.011 4.734) 12.130 1.751 ( 2.893 1.542 1.177) 3.483 1.837 ( 5.256 -1.837 14.707) 15.726 2.004 ( -0.443 0.489 9.653) 9.675 2.109 ( -3.763 0.642 -10.049) 10.750 2.178 ( 2.053 -0.674 6.005) 6.382 2.246 ( 2.456 2.021 -11.352) 11.789 2.281 ( 0.290 -0.616 -7.687) 7.718 2.304 ( 0.620 0.171 -1.393) 1.534 2.328 ( 0.304 -0.251 -2.767) 2.795 2.511 ( 3.239 0.051 1.691) 3.654 2.551 ( 2.611 0.564 -2.189) 3.453 2.646 ( -2.687 -0.937 3.124) 4.225 2.697 ( -3.121 -0.787 -2.250) 3.927 2.817 ( -4.494 -0.182 -0.355) 4.512 2.851 ( -5.174 -1.684 -3.791) 6.631 2.994 ( 0.424 4.988 2.747) 5.710 3.024 ( 0.006 4.685 -0.426) 4.704 3.124 ( -3.785 -0.600 1.981) 4.313 3.155 ( -4.761 0.074 -1.533) 5.002 3.613 ( -10.125 0.098 3.982) 10.880 3.683 ( -4.780 -0.656 -3.499) 5.960 4.188 ( 0.863 -0.369 4.571) 4.667 4.287 ( 0.484 -0.191 -5.894) 5.917 4.574 ( 5.642 -0.746 2.467) 6.203 4.604 ( 6.362 -2.192 -0.542) 6.751 7.893 ( 15.711 -0.362 12.752) 20.239 8.049 ( 15.934 -0.208 -4.339) 16.516 8.118 ( 3.232 0.430 1.492) 3.586 8.158 ( 2.746 0.591 -2.848) 4.000 8.762 ( 25.908 0.111 5.902) 26.572 8.883 ( 26.704 0.776 -6.877) 27.586 9.045 ( -1.183 0.146 25.309) 25.337 9.479 ( -6.890 -0.428 -15.717) 17.166 10.175 ( 20.436 0.608 0.949) 20.467 10.241 ( 36.085 0.173 -3.474) 36.252 10.710 ( 6.430 0.715 -0.493) 6.488 10.740 ( 2.895 0.012 -2.525) 3.841 10.868 ( 9.607 -0.438 4.400) 10.576 11.020 ( 10.935 0.038 -12.267) 16.434 11.380 ( 11.425 0.225 13.901) 17.995 11.572 ( -8.757 -2.224 7.947) 12.032 11.612 ( 3.242 0.508 4.390) 5.481 11.815 ( 4.315 0.097 -7.779) 8.896 11.897 ( -1.075 -2.113 -10.659) 10.920 11.928 ( -7.761 -4.231 -8.152) 12.024 13.917 ( 5.611 0.639 13.034) 14.204 13.982 ( -9.590 0.708 7.821) 12.395 14.103 ( 2.762 1.207 -6.246) 6.935 14.135 ( -10.986 0.805 -7.100) 13.106 14.723 ( 6.297 25.447 10.859) 28.375 14.979 ( -4.255 11.128 -16.247) 20.147 15.878 ( -11.808 -4.190 5.953) 13.872 15.983 ( -13.598 -8.733 -3.805) 16.603 16.041 ( -11.567 0.297 7.427) 13.749 16.201 ( -9.631 0.987 -7.970) 12.540 ======================= Grid point 217 (66/93) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 10.855 -1.309 9.390) 14.413 1.239 ( 9.871 -1.116 -6.430) 11.833 1.465 ( 7.607 -0.615 9.744) 12.377 1.563 ( 4.620 -1.515 -2.593) 5.510 1.743 ( -1.440 -0.037 5.191) 5.387 1.866 ( 5.472 0.390 -4.125) 6.863 1.965 ( 0.534 0.046 3.296) 3.339 2.034 ( -3.876 -0.254 -5.864) 7.034 2.062 ( 7.189 2.492 9.949) 12.525 2.192 ( -0.238 0.375 1.718) 1.774 2.253 ( -2.231 0.340 -4.129) 4.706 2.265 ( 0.324 -0.445 -2.618) 2.675 2.315 ( 0.171 0.377 -1.279) 1.344 2.360 ( 3.287 1.239 -7.227) 8.036 2.561 ( 1.290 0.789 2.269) 2.726 2.578 ( 1.950 1.105 1.035) 2.469 2.633 ( -0.149 -0.703 0.815) 1.087 2.665 ( -0.318 -0.443 -2.341) 2.403 2.742 ( -3.130 -0.929 -0.666) 3.332 2.764 ( -4.052 -1.445 -2.824) 5.146 2.954 ( -1.024 4.421 1.852) 4.902 2.973 ( -1.563 3.383 -0.022) 3.726 3.072 ( -1.642 0.613 2.682) 3.204 3.112 ( 0.889 1.512 -1.832) 2.536 3.428 ( -9.954 -0.126 8.449) 13.057 3.585 ( -6.472 -0.817 -8.263) 10.528 4.208 ( 0.899 -0.681 3.202) 3.395 4.286 ( -0.512 -0.171 -4.940) 4.969 4.695 ( 6.201 -1.098 3.966) 7.442 4.746 ( 6.180 -3.237 -1.476) 7.130 8.109 ( 3.408 -0.294 2.636) 4.318 8.130 ( 4.515 -0.950 1.152) 4.755 8.288 ( 14.184 0.642 6.845) 15.762 8.390 ( 15.058 -0.102 -2.458) 15.258 8.905 ( -3.454 0.810 22.954) 23.226 9.265 ( -1.492 0.338 -12.832) 12.923 9.399 ( 31.195 -0.396 5.151) 31.619 9.485 ( 23.645 0.253 -0.842) 23.662 10.380 ( 6.103 0.918 5.481) 8.254 10.602 ( 4.824 0.557 -13.783) 14.613 10.875 ( 8.860 -0.408 0.957) 8.921 10.908 ( 10.864 -0.624 -2.968) 11.280 11.039 ( 8.286 -0.665 5.059) 9.731 11.185 ( 2.797 -0.248 -9.652) 10.052 11.456 ( -5.941 -3.224 11.048) 12.952 11.583 ( -0.783 -2.704 -3.051) 4.151 11.668 ( 9.904 0.485 3.944) 10.671 11.875 ( 5.883 0.058 -11.824) 13.207 11.926 ( 15.342 -2.837 4.756) 16.311 12.123 ( 18.279 -0.878 -11.821) 21.786 13.739 ( -16.265 0.688 6.891) 17.678 13.863 ( -17.064 1.221 -5.903) 18.097 14.015 ( 5.385 2.080 10.353) 11.853 14.111 ( 0.024 2.957 -0.273) 2.969 14.740 ( 12.929 16.014 2.251) 20.704 14.876 ( 3.056 10.604 -11.265) 15.769 15.651 ( -15.739 -2.727 7.537) 17.662 15.758 ( -14.481 -2.936 3.543) 15.194 15.819 ( -14.330 -3.122 1.257) 14.720 15.991 ( -12.057 1.201 -9.523) 15.412 ======================= Grid point 218 (67/93) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 10.832 -1.206 7.064) 12.987 1.418 ( 8.000 -0.900 -5.701) 9.865 1.548 ( 2.269 0.933 6.014) 6.495 1.645 ( 2.807 -0.085 -3.486) 4.477 1.722 ( -0.636 -1.141 10.393) 10.474 1.899 ( -1.945 1.314 -1.880) 3.007 1.931 ( -2.969 0.415 5.546) 6.305 1.972 ( -4.069 -1.858 -3.045) 5.411 2.087 ( 0.703 1.916 -2.624) 3.324 2.133 ( -3.201 3.533 -7.956) 9.275 2.245 ( 0.016 -0.743 1.045) 1.282 2.267 ( -1.196 -1.106 -1.298) 2.083 2.363 ( 5.168 -0.709 1.314) 5.380 2.408 ( 2.769 0.591 -3.275) 4.329 2.535 ( -2.591 0.227 1.357) 2.933 2.559 ( -3.625 0.663 -1.295) 3.906 2.642 ( 0.758 0.602 2.020) 2.240 2.684 ( 2.054 -0.163 -1.597) 2.606 2.749 ( 2.832 -0.788 1.759) 3.425 2.777 ( 2.351 -1.414 -0.600) 2.808 2.898 ( -1.789 2.077 1.697) 3.224 2.914 ( -2.541 1.738 0.104) 3.080 3.057 ( 0.731 1.323 4.514) 4.760 3.136 ( 1.476 2.015 -3.211) 4.068 3.276 ( -4.961 0.272 9.012) 10.291 3.467 ( -6.895 -0.909 -10.391) 12.503 4.230 ( 0.821 -0.555 1.105) 1.484 4.276 ( -0.546 0.007 -3.699) 3.739 4.798 ( 3.815 -0.849 4.922) 6.285 4.861 ( 3.548 -2.360 -1.843) 4.643 8.157 ( 2.246 -0.308 1.790) 2.889 8.192 ( 1.898 -0.466 -1.892) 2.720 8.574 ( 14.208 -0.067 9.222) 16.939 8.612 ( 10.011 -0.974 3.473) 10.641 8.829 ( -3.386 1.215 18.341) 18.690 9.103 ( -11.201 0.305 -6.427) 12.918 9.923 ( 23.415 -0.117 5.894) 24.146 9.978 ( 23.751 0.545 0.959) 23.776 10.472 ( 5.967 1.252 -2.388) 6.548 10.627 ( -0.161 0.064 -15.122) 15.123 10.988 ( 2.435 -1.127 0.311) 2.701 11.007 ( 0.668 -1.116 -1.816) 2.234 11.125 ( 0.713 -0.320 0.711) 1.056 11.143 ( -4.100 -0.570 -1.024) 4.264 11.349 ( -6.550 -1.147 4.851) 8.231 11.430 ( -12.299 -2.703 -4.040) 13.225 11.985 ( 19.759 -0.270 -3.755) 20.114 12.068 ( 12.509 -0.534 -11.312) 16.874 12.419 ( 27.437 -1.151 1.941) 27.530 12.459 ( 16.888 -0.896 -2.436) 17.086 13.395 ( -19.470 0.652 4.437) 19.980 13.507 ( -19.796 1.508 -7.085) 21.079 14.073 ( 2.472 2.682 7.045) 7.934 14.096 ( 1.621 1.755 5.259) 5.776 14.894 ( 13.655 9.761 -1.480) 16.850 14.897 ( 5.020 5.277 -0.485) 7.300 15.384 ( -13.353 -0.701 9.760) 16.555 15.554 ( -10.934 -3.301 -7.633) 13.738 15.584 ( -10.939 -1.833 7.147) 13.195 15.758 ( -11.940 0.858 -9.498) 15.281 ======================= Grid point 219 (68/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.000 -0.000 2.335) 2.335 1.478 ( 0.000 -0.000 0.320) 0.320 1.567 ( 0.000 -0.000 5.146) 5.146 1.639 ( 0.000 -0.000 -2.024) 2.024 1.751 ( 0.000 -0.000 9.051) 9.051 1.835 ( 0.000 -0.000 -4.038) 4.038 1.912 ( 0.000 -0.000 8.164) 8.164 1.918 ( -0.000 -0.000 -1.849) 1.849 2.060 ( 0.000 -0.000 -6.864) 6.864 2.119 ( 0.000 -0.000 -8.128) 8.128 2.247 ( 0.000 -0.000 0.429) 0.429 2.256 ( 0.000 -0.000 -0.530) 0.530 2.444 ( 0.000 -0.000 -0.149) 0.149 2.456 ( -0.000 0.000 -1.498) 1.498 2.484 ( 0.000 -0.000 0.533) 0.533 2.493 ( 0.000 -0.000 -0.411) 0.411 2.649 ( 0.000 -0.000 2.967) 2.967 2.712 ( 0.000 -0.000 -2.753) 2.753 2.789 ( 0.000 -0.000 2.373) 2.373 2.813 ( 0.000 -0.000 0.077) 0.077 2.869 ( 0.000 -0.000 1.521) 1.521 2.876 ( 0.000 -0.000 0.471) 0.471 3.085 ( -0.000 -0.000 7.627) 7.627 3.087 ( 0.000 0.000 4.585) 4.585 3.271 ( 0.000 -0.000 -1.502) 1.502 3.385 ( 0.000 -0.000 -10.403) 10.403 4.242 ( 0.000 -0.000 -0.091) 0.091 4.270 ( 0.000 -0.000 -2.903) 2.903 4.838 ( 0.000 -0.000 5.244) 5.244 4.904 ( 0.000 -0.000 -1.929) 1.929 8.183 ( 0.000 -0.000 1.333) 1.333 8.211 ( 0.000 -0.000 -1.651) 1.651 8.687 ( 0.000 -0.000 16.367) 16.367 8.768 ( 0.000 -0.000 14.565) 14.565 8.857 ( -0.000 -0.000 -3.285) 3.285 8.891 ( 0.000 -0.000 -0.587) 0.587 10.159 ( 0.000 -0.000 8.538) 8.538 10.212 ( 0.000 -0.000 3.708) 3.708 10.572 ( 0.000 -0.000 -12.138) 12.138 10.597 ( -0.000 -0.000 -15.083) 15.083 10.987 ( 0.000 -0.000 0.536) 0.536 11.001 ( -0.000 -0.000 -0.614) 0.614 11.118 ( 0.000 -0.000 -1.000) 1.000 11.119 ( 0.000 -0.000 -1.027) 1.027 11.292 ( 0.000 0.000 1.018) 1.018 11.302 ( -0.000 -0.000 -0.088) 0.088 12.200 ( 0.000 -0.000 -7.139) 7.139 12.213 ( -0.000 -0.000 -8.456) 8.456 12.690 ( 0.000 -0.000 3.938) 3.938 12.718 ( -0.000 -0.000 1.163) 1.163 13.195 ( -0.000 0.000 -4.426) 4.426 13.200 ( 0.000 -0.000 -5.058) 5.058 14.092 ( 0.000 -0.000 6.654) 6.654 14.104 ( 0.000 -0.000 5.489) 5.489 14.921 ( 0.000 -0.000 8.798) 8.798 15.011 ( 0.000 -0.000 1.088) 1.088 15.257 ( 0.000 -0.000 6.808) 6.808 15.411 ( 0.000 -0.000 -5.138) 5.138 15.554 ( -0.000 -0.000 -4.261) 4.261 15.592 ( 0.000 -0.000 -5.707) 5.707 ======================= Grid point 226 (69/93) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 10.499 0.000 11.663) 15.692 1.042 ( 9.579 0.000 -5.362) 10.978 1.240 ( 14.593 0.000 8.459) 16.868 1.395 ( 13.024 0.000 -8.397) 15.496 1.754 ( 7.287 0.000 2.623) 7.745 1.774 ( 4.729 0.000 -0.476) 4.753 1.813 ( 7.305 0.000 20.547) 21.807 2.009 ( -1.034 -0.000 9.404) 9.461 2.115 ( -3.971 -0.000 -9.683) 10.465 2.168 ( 1.835 0.000 5.601) 5.894 2.266 ( -0.640 -0.000 -4.549) 4.594 2.271 ( 3.230 0.000 -16.950) 17.255 2.310 ( 0.841 0.000 -0.249) 0.878 2.326 ( 1.139 0.000 -2.809) 3.031 2.511 ( 3.842 0.000 2.113) 4.385 2.556 ( 3.284 0.000 -2.408) 4.072 2.637 ( -3.074 -0.000 3.448) 4.620 2.690 ( -3.226 -0.000 -2.185) 3.896 2.818 ( -4.588 -0.000 -1.357) 4.785 2.833 ( -4.779 -0.000 -2.916) 5.598 3.040 ( 0.365 0.000 3.182) 3.203 3.072 ( 0.276 0.000 -0.588) 0.650 3.114 ( -3.099 -0.000 1.886) 3.628 3.149 ( -5.743 -0.000 -1.835) 6.029 3.615 ( -10.373 -0.000 3.673) 11.004 3.677 ( -4.838 -0.000 -3.091) 5.741 4.185 ( 0.641 0.000 4.654) 4.698 4.285 ( 0.387 0.000 -5.912) 5.925 4.569 ( 5.676 0.000 1.665) 5.916 4.584 ( 5.899 0.000 0.130) 5.900 7.890 ( 15.467 0.000 12.764) 20.054 8.048 ( 15.304 0.000 -4.470) 15.944 8.122 ( 3.614 0.000 1.612) 3.957 8.163 ( 2.845 0.000 -2.857) 4.031 8.763 ( 25.868 0.000 6.103) 26.578 8.890 ( 26.640 0.000 -7.246) 27.608 9.046 ( -1.127 -0.000 25.330) 25.355 9.475 ( -6.807 -0.000 -15.247) 16.697 10.181 ( 20.186 0.000 0.635) 20.196 10.243 ( 36.311 0.000 -3.342) 36.464 10.716 ( 6.106 0.000 -0.949) 6.179 10.740 ( 2.709 0.000 -2.434) 3.642 10.864 ( 9.451 0.000 4.593) 10.508 11.020 ( 10.846 0.000 -12.515) 16.561 11.382 ( 11.445 0.000 13.991) 18.076 11.552 ( -9.150 -0.000 9.257) 13.015 11.616 ( 3.725 0.000 4.471) 5.820 11.836 ( 7.460 0.000 -7.192) 10.362 11.843 ( -6.000 -0.000 -10.755) 12.316 11.909 ( -5.693 -0.000 -10.088) 11.584 13.921 ( 5.764 0.000 13.122) 14.332 13.988 ( -9.794 -0.000 7.882) 12.572 14.112 ( 3.193 0.000 -6.550) 7.287 14.142 ( -10.790 -0.000 -7.217) 12.981 15.004 ( -5.402 -0.000 -2.075) 5.787 15.034 ( -0.811 -0.000 -5.839) 5.895 15.840 ( -10.868 -0.000 3.387) 11.383 15.885 ( -11.024 -0.000 -1.302) 11.101 16.047 ( -12.138 -0.000 8.874) 15.036 16.209 ( -9.594 -0.000 -8.084) 12.546 ======================= Grid point 227 (70/93) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 11.426 -0.353 9.806) 15.061 1.227 ( 10.143 -0.412 -5.778) 11.680 1.458 ( 9.782 -0.246 9.958) 13.961 1.545 ( 4.237 -0.618 -2.195) 4.811 1.744 ( -1.565 0.094 4.501) 4.766 1.870 ( 4.957 0.115 -5.159) 7.156 1.966 ( -0.739 0.040 3.462) 3.540 2.031 ( -4.913 -0.051 -5.238) 7.182 2.086 ( 10.251 0.674 11.907) 15.727 2.186 ( -0.064 -0.384 2.689) 2.717 2.237 ( -2.500 -0.742 -2.773) 3.807 2.294 ( -0.334 1.641 -4.645) 4.937 2.317 ( -0.159 -0.213 -0.760) 0.805 2.377 ( 3.690 0.655 -9.706) 10.404 2.570 ( 0.522 0.299 2.663) 2.730 2.598 ( 2.062 1.296 1.066) 2.658 2.618 ( 1.177 -1.125 0.664) 1.758 2.657 ( 0.668 -0.335 -2.382) 2.497 2.734 ( -3.711 -0.019 -1.441) 3.981 2.743 ( -4.354 -1.040 -2.266) 5.017 3.012 ( -3.037 2.287 1.700) 4.165 3.022 ( -3.479 1.976 0.667) 4.056 3.075 ( -1.123 -0.170 3.036) 3.242 3.128 ( 2.829 0.424 -3.001) 4.146 3.426 ( -10.001 -0.093 8.009) 12.813 3.574 ( -6.519 -0.443 -7.745) 10.134 4.199 ( 0.775 -0.396 3.523) 3.629 4.281 ( -0.590 -0.240 -5.225) 5.264 4.686 ( 6.619 0.059 2.082) 6.939 4.705 ( 6.193 -1.770 0.184) 6.444 8.108 ( 4.298 0.173 2.498) 4.974 8.116 ( 3.913 -0.721 1.601) 4.289 8.295 ( 13.382 0.252 6.110) 14.713 8.390 ( 14.687 -0.011 -2.307) 14.867 8.914 ( -3.169 0.319 23.053) 23.272 9.270 ( -2.646 0.212 -12.453) 12.732 9.394 ( 31.402 -0.171 5.941) 31.959 9.489 ( 24.709 0.134 -1.022) 24.730 10.390 ( 6.249 0.314 5.228) 8.154 10.608 ( 4.593 0.189 -13.891) 14.631 10.871 ( 8.181 -0.111 0.831) 8.224 10.901 ( 10.610 -0.235 -2.869) 10.994 11.031 ( 8.622 -0.267 5.202) 10.073 11.182 ( 2.495 -0.086 -9.955) 10.263 11.420 ( -4.990 -1.131 10.300) 11.501 11.550 ( -3.386 -1.170 -3.601) 5.079 11.674 ( 9.237 0.271 3.678) 9.946 11.872 ( 10.098 -0.306 -2.782) 10.479 11.898 ( 14.628 -0.664 -1.718) 14.744 12.113 ( 18.672 -0.329 -12.379) 22.405 13.747 ( -16.336 0.268 7.146) 17.833 13.875 ( -16.582 0.372 -5.890) 17.601 14.036 ( 5.108 0.614 10.404) 11.607 14.142 ( 0.131 0.961 -0.991) 1.387 14.935 ( 3.088 6.736 -0.361) 7.419 15.028 ( 2.656 6.686 -9.868) 12.212 15.617 ( -13.763 -0.854 4.140) 14.398 15.676 ( -13.891 -4.917 -0.915) 14.764 15.804 ( -14.159 -0.084 10.174) 17.435 16.005 ( -12.260 0.472 -10.046) 15.857 ======================= Grid point 228 (71/93) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 10.786 -0.596 7.467) 13.132 1.405 ( 8.326 -0.633 -5.361) 9.923 1.567 ( 2.106 1.333 4.854) 5.457 1.635 ( 5.630 -1.074 1.582) 5.946 1.712 ( -2.079 -0.160 6.915) 7.223 1.914 ( -1.181 0.544 -2.136) 2.501 1.927 ( -2.890 -0.525 4.404) 5.294 1.945 ( -4.999 -1.294 -5.459) 7.514 2.117 ( -1.850 1.652 -0.673) 2.570 2.167 ( -3.276 0.684 -4.983) 6.003 2.237 ( 0.872 -0.358 0.656) 1.148 2.260 ( -1.112 0.200 -1.939) 2.244 2.359 ( 5.065 0.005 2.003) 5.447 2.422 ( 2.138 0.873 -4.195) 4.789 2.539 ( -2.550 0.204 1.647) 3.042 2.570 ( -3.489 0.540 -1.717) 3.926 2.650 ( 0.246 0.336 0.541) 0.683 2.677 ( 0.760 -0.573 -2.029) 2.241 2.742 ( 4.639 -0.066 2.181) 5.127 2.758 ( 3.317 -0.835 0.439) 3.448 2.929 ( -3.308 1.622 1.870) 4.132 2.944 ( -3.561 1.627 0.501) 3.947 3.072 ( 0.623 0.551 5.289) 5.354 3.163 ( -1.127 1.169 -2.437) 2.928 3.284 ( -2.658 0.713 6.082) 6.676 3.451 ( -7.342 -1.000 -9.538) 12.078 4.219 ( 0.871 -0.696 1.556) 1.914 4.272 ( -0.668 -0.391 -4.120) 4.192 4.789 ( 4.311 -0.233 3.466) 5.536 4.827 ( 5.166 -1.743 -0.620) 5.487 8.153 ( 2.365 -0.194 1.541) 2.829 8.183 ( 1.990 -0.594 -1.568) 2.602 8.575 ( 14.650 0.127 7.362) 16.396 8.598 ( 8.993 -0.666 3.820) 9.793 8.845 ( -3.521 0.742 19.208) 19.542 9.108 ( -10.968 0.196 -4.985) 12.049 9.923 ( 23.988 0.046 6.403) 24.828 9.986 ( 23.500 0.406 0.798) 23.517 10.489 ( 6.076 0.773 -3.374) 6.992 10.627 ( -0.753 -0.007 -14.874) 14.893 10.973 ( 2.247 -0.741 0.287) 2.384 10.991 ( 0.441 -0.779 -1.785) 1.997 11.121 ( 0.904 -0.163 0.528) 1.059 11.136 ( -3.590 -0.264 -0.904) 3.711 11.335 ( -4.915 -0.568 3.767) 6.219 11.395 ( -10.132 -1.584 -2.738) 10.615 11.982 ( 19.534 -0.076 -4.143) 19.968 12.061 ( 12.599 -0.277 -11.171) 16.840 12.403 ( 27.823 -0.763 2.076) 27.911 12.447 ( 16.776 -0.584 -2.659) 16.996 13.404 ( -19.668 0.442 5.066) 20.315 13.527 ( -19.995 0.873 -7.498) 21.372 14.103 ( 2.098 1.028 7.620) 7.970 14.121 ( -0.487 1.281 5.447) 5.617 14.978 ( 3.620 4.634 2.535) 6.403 15.032 ( 3.480 6.262 -2.812) 7.696 15.378 ( -11.328 0.396 4.225) 12.097 15.484 ( -10.587 -4.375 -7.202) 13.532 15.570 ( -9.142 -0.683 10.255) 13.755 15.771 ( -12.332 0.599 -10.351) 16.112 ======================= Grid point 229 (72/93) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 5.100 -0.713 2.798) 5.861 1.483 ( -2.369 0.549 -0.486) 2.480 1.574 ( -0.336 0.776 4.916) 4.989 1.639 ( -1.650 0.090 -1.414) 2.175 1.745 ( 3.181 -0.597 7.167) 7.864 1.839 ( -4.210 0.394 -4.541) 6.205 1.873 ( -2.580 -3.124 4.029) 5.714 1.920 ( 1.742 -0.675 3.031) 3.560 2.070 ( -1.667 0.968 -6.056) 6.355 2.127 ( -1.028 0.771 -7.570) 7.678 2.247 ( 0.457 0.026 0.590) 0.747 2.258 ( 0.949 0.200 -0.627) 1.155 2.448 ( 1.843 0.501 0.177) 1.918 2.459 ( 3.110 0.266 -0.749) 3.210 2.491 ( -3.294 0.730 -0.243) 3.382 2.494 ( -0.903 0.136 -0.310) 0.965 2.651 ( -0.224 0.212 2.346) 2.366 2.702 ( 0.443 -1.143 -2.531) 2.812 2.788 ( -0.447 0.053 2.950) 2.984 2.816 ( 1.442 0.378 0.188) 1.503 2.880 ( -1.494 1.030 1.268) 2.214 2.885 ( -0.200 0.829 0.512) 0.994 3.070 ( -5.425 -1.132 6.678) 8.678 3.093 ( 2.113 0.118 5.316) 5.722 3.280 ( -2.735 0.976 -2.095) 3.581 3.381 ( 2.348 -0.541 -9.925) 10.214 4.237 ( 0.432 -0.478 -0.079) 0.649 4.265 ( -0.471 -0.556 -2.943) 3.032 4.839 ( 0.856 0.118 5.173) 5.245 4.904 ( 2.147 -0.016 -1.908) 2.873 8.183 ( 0.314 0.045 1.051) 1.097 8.206 ( 0.143 -0.587 -1.380) 1.507 8.686 ( 1.783 -0.087 16.239) 16.337 8.770 ( -2.605 0.159 14.664) 14.895 8.856 ( 8.501 -0.084 -3.438) 9.170 8.891 ( -7.992 0.083 -0.440) 8.004 10.165 ( 0.070 0.650 8.199) 8.225 10.208 ( -0.798 -0.448 4.136) 4.236 10.567 ( -5.522 -0.482 -11.962) 13.184 10.603 ( 3.819 0.529 -15.314) 15.792 10.989 ( 2.142 0.245 0.441) 2.201 11.000 ( 2.216 -0.032 -0.507) 2.274 11.117 ( -0.360 -0.037 -0.764) 0.845 11.122 ( 1.129 0.217 -1.234) 1.686 11.290 ( -0.508 -0.168 1.226) 1.338 11.304 ( 2.850 0.205 -0.326) 2.876 12.202 ( 0.658 0.173 -7.244) 7.276 12.212 ( 0.570 -0.114 -8.312) 8.332 12.691 ( 2.600 0.098 3.623) 4.461 12.714 ( 0.471 -0.421 1.364) 1.503 13.188 ( 4.799 -0.468 -3.745) 6.105 13.210 ( -8.017 0.669 -5.657) 9.835 14.089 ( -3.194 -0.289 6.572) 7.313 14.104 ( -1.383 -0.069 5.263) 5.442 14.927 ( -5.068 0.703 7.768) 9.302 14.992 ( -9.736 -2.060 1.977) 10.146 15.242 ( -1.104 -1.352 9.672) 9.828 15.444 ( 7.752 3.414 -7.423) 11.263 15.551 ( 2.068 -0.473 -4.315) 4.808 15.594 ( -2.177 0.209 -5.786) 6.186 ======================= Grid point 230 (73/93) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -10.319 1.960 5.693) 11.948 1.431 ( -7.394 0.701 -5.781) 9.412 1.539 ( -2.103 -0.129 6.214) 6.562 1.641 ( -0.974 -0.380 -4.733) 4.848 1.745 ( -0.273 1.437 10.997) 11.094 1.871 ( 3.314 -2.297 0.435) 4.056 1.904 ( 2.483 -2.910 4.960) 6.264 1.992 ( 4.252 -0.083 -1.949) 4.678 2.055 ( -0.954 -1.845 -5.106) 5.513 2.084 ( -2.364 -1.307 -8.340) 8.767 2.260 ( 1.266 0.951 1.331) 2.068 2.285 ( 2.252 0.889 -1.338) 2.767 2.383 ( -5.227 1.704 0.883) 5.568 2.410 ( -3.070 0.890 -1.922) 3.730 2.532 ( 2.617 -0.160 1.144) 2.860 2.550 ( 3.662 -0.457 -0.902) 3.799 2.634 ( -1.300 -0.283 2.665) 2.979 2.683 ( -2.756 -0.286 -1.302) 3.062 2.758 ( -1.597 0.063 1.561) 2.234 2.797 ( -1.922 0.898 -1.723) 2.733 2.872 ( 0.397 -0.747 2.451) 2.593 2.899 ( 1.675 0.041 -0.228) 1.691 3.029 ( -0.955 -2.160 3.942) 4.596 3.103 ( -3.005 -2.117 -3.520) 5.090 3.275 ( 5.612 0.091 10.251) 11.687 3.479 ( 6.679 0.478 -10.877) 12.773 4.235 ( -0.704 0.102 0.432) 0.832 4.270 ( 0.420 -0.716 -3.124) 3.232 4.814 ( -3.043 1.046 6.164) 6.953 4.898 ( -1.989 2.082 -2.885) 4.076 8.161 ( -2.146 0.198 1.671) 2.728 8.196 ( -1.695 -0.071 -1.952) 2.587 8.577 ( -14.538 0.284 11.517) 18.550 8.628 ( -10.247 0.989 3.469) 10.863 8.809 ( 3.185 -1.217 16.944) 17.284 9.098 ( 11.614 -0.303 -8.306) 14.282 9.927 ( -23.034 0.396 5.102) 23.595 9.969 ( -23.752 -0.488 1.334) 23.794 10.451 ( -6.041 -1.277 -1.207) 6.291 10.625 ( -0.537 -0.122 -15.379) 15.389 11.006 ( -2.779 0.945 0.288) 2.949 11.023 ( -0.937 0.900 -1.808) 2.227 11.132 ( -0.582 0.444 0.923) 1.178 11.153 ( 4.497 0.724 -1.284) 4.733 11.371 ( 9.082 1.521 6.242) 11.125 11.476 ( 14.822 2.897 -5.476) 16.065 11.990 ( -19.970 0.433 -3.334) 20.251 12.078 ( -12.103 0.683 -11.390) 16.634 12.438 ( -27.010 1.084 1.826) 27.093 12.473 ( -16.776 0.838 -2.154) 16.934 13.385 ( 19.206 -0.524 3.515) 19.532 13.480 ( 19.213 -1.724 -6.295) 20.292 14.025 ( -4.321 -3.022 6.229) 8.162 14.063 ( -3.648 -2.440 3.703) 5.742 14.737 ( -18.861 -8.965 3.453) 21.166 14.827 ( -8.599 -3.562 -4.050) 10.151 15.393 ( 14.772 0.364 13.491) 20.009 15.567 ( 6.505 -0.278 1.790) 6.753 15.644 ( 14.661 4.052 -5.303) 16.109 15.747 ( 11.698 -0.370 -9.002) 14.765 ======================= Grid point 231 (74/93) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -9.425 2.893 7.866) 12.613 1.261 ( -9.050 1.591 -7.064) 11.590 1.477 ( -5.054 0.903 9.314) 10.635 1.589 ( -4.129 1.572 -3.623) 5.713 1.747 ( 0.818 0.494 6.708) 6.776 1.855 ( -5.911 -1.187 -1.650) 6.251 1.965 ( -3.559 -0.048 2.516) 4.359 2.003 ( -2.275 -4.575 7.049) 8.706 2.041 ( 2.516 0.713 -6.304) 6.825 2.140 ( 0.760 -5.298 -6.620) 8.513 2.267 ( 0.951 2.492 1.763) 3.197 2.296 ( -1.598 1.297 -0.027) 2.058 2.315 ( 1.049 1.311 -1.928) 2.556 2.343 ( -3.131 -0.803 -4.323) 5.398 2.547 ( -2.070 -0.904 2.004) 3.019 2.563 ( -1.915 -0.775 0.639) 2.163 2.639 ( 1.582 0.062 0.750) 1.752 2.667 ( 0.995 -0.348 -2.186) 2.427 2.758 ( 2.393 0.789 -0.204) 2.528 2.782 ( 2.438 0.522 -2.843) 3.781 2.892 ( -0.134 -2.787 2.671) 3.862 2.930 ( 0.811 -1.598 -1.074) 2.089 3.053 ( 1.726 -1.851 2.324) 3.436 3.084 ( 0.169 -1.951 -1.152) 2.272 3.429 ( 9.936 -0.025 8.961) 13.381 3.597 ( 6.458 0.563 -8.877) 10.992 4.217 ( -0.916 0.400 2.540) 2.730 4.284 ( 0.493 -0.397 -4.407) 4.452 4.717 ( -6.059 1.529 5.910) 8.601 4.801 ( -5.912 3.383 -3.090) 7.480 8.115 ( -2.747 0.364 2.382) 3.654 8.143 ( -4.303 0.665 0.481) 4.380 8.277 ( -15.714 -0.664 8.442) 17.851 8.394 ( -15.664 0.304 -2.650) 15.890 8.890 ( 3.989 -0.951 22.822) 23.188 9.261 ( 0.451 -0.051 -13.747) 13.754 9.405 ( -31.338 0.430 4.211) 31.623 9.482 ( -22.196 -0.168 -0.859) 22.213 10.361 ( -5.904 -1.300 5.985) 8.507 10.591 ( -5.233 -0.778 -13.649) 14.638 10.883 ( -9.637 0.622 1.111) 9.721 10.919 ( -11.083 0.747 -2.989) 11.503 11.051 ( -7.829 0.810 4.861) 9.251 11.190 ( -3.110 0.366 -9.150) 9.671 11.519 ( 7.053 4.533 11.962) 14.608 11.626 ( -4.434 2.227 -1.352) 5.143 11.662 ( -10.184 0.025 3.758) 10.855 11.873 ( -6.682 -0.128 -13.755) 15.293 11.985 ( -8.752 4.421 2.659) 10.160 12.140 ( -17.481 1.179 -10.813) 20.589 13.726 ( 15.893 -0.953 6.396) 17.158 13.831 ( 16.327 -2.996 -3.741) 17.016 13.966 ( -5.064 -3.878 8.096) 10.307 14.052 ( -0.713 -4.106 0.039) 4.168 14.481 ( -18.910 -14.838 7.265) 25.111 14.716 ( -7.428 -8.784 -15.162) 19.032 15.690 ( 17.023 1.923 10.241) 19.959 15.764 ( 13.196 -0.889 9.845) 16.488 15.892 ( 15.420 4.118 -7.777) 17.755 15.973 ( 12.195 -0.542 -9.137) 15.248 ======================= Grid point 232 (75/93) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -7.489 4.486 9.490) 12.895 1.089 ( -7.766 2.989 -6.168) 10.358 1.313 ( -11.949 3.849 8.230) 15.011 1.439 ( -12.004 2.311 -5.991) 13.613 1.702 ( -11.427 -2.285 3.980) 12.314 1.725 ( -4.699 -1.843 -0.095) 5.049 1.858 ( -2.660 0.654 12.274) 12.576 1.996 ( -0.129 -0.410 9.449) 9.458 2.101 ( 3.476 -0.218 -9.961) 10.552 2.155 ( -2.848 -3.701 1.611) 4.941 2.234 ( -3.338 0.588 -6.858) 7.650 2.273 ( -1.604 -1.207 -6.066) 6.390 2.312 ( 1.402 1.047 0.130) 1.755 2.346 ( 1.811 1.998 -2.348) 3.576 2.508 ( -2.253 -0.342 0.850) 2.433 2.540 ( -1.467 -0.824 -2.036) 2.641 2.662 ( 2.273 0.972 2.572) 3.568 2.709 ( 2.941 0.374 -2.205) 3.695 2.821 ( 4.243 0.015 0.552) 4.279 2.865 ( 4.591 -1.644 -3.943) 6.271 2.910 ( -0.537 -3.448 3.112) 4.676 2.957 ( 0.351 -2.641 -1.329) 2.977 3.120 ( 4.375 -1.206 1.556) 4.797 3.142 ( 4.467 -1.262 -0.821) 4.714 3.613 ( 9.821 -0.018 4.548) 10.823 3.695 ( 4.587 0.677 -4.212) 6.264 4.196 ( -1.108 0.525 4.171) 4.348 4.289 ( -0.484 -0.034 -5.674) 5.695 4.590 ( -6.061 1.062 4.115) 7.403 4.647 ( -7.285 3.037 -1.949) 8.130 7.900 ( -16.357 0.577 12.729) 20.735 8.054 ( -17.835 0.328 -4.022) 18.286 8.109 ( -1.889 -0.647 1.180) 2.319 8.146 ( -2.460 -0.923 -2.815) 3.851 8.760 ( -26.023 -0.038 5.476) 26.593 8.869 ( -26.872 -0.913 -6.026) 27.555 9.042 ( 1.391 -0.193 25.252) 25.291 9.489 ( 7.184 0.825 -17.082) 18.549 10.163 ( -20.625 -0.875 1.713) 20.715 10.238 ( -35.490 -0.242 -3.763) 35.690 10.697 ( -7.397 -0.801 0.415) 7.452 10.739 ( -3.424 -0.029 -2.676) 4.346 10.877 ( -9.949 0.712 4.032) 10.759 11.020 ( -11.186 0.070 -11.635) 16.141 11.376 ( -11.595 -0.173 13.741) 17.980 11.600 ( 2.697 -0.499 11.795) 12.109 11.614 ( 0.659 2.119 -4.573) 5.083 11.831 ( -2.009 1.772 -7.537) 7.999 11.918 ( 1.632 1.728 -4.813) 5.368 12.033 ( 8.015 7.750 -9.071) 14.373 13.894 ( -5.154 -3.055 12.262) 13.648 13.962 ( 8.756 -1.851 8.256) 12.176 14.065 ( -2.067 -4.168 -2.880) 5.471 14.117 ( 11.809 -1.529 -5.474) 13.106 14.309 ( -15.376 -22.619 17.410) 32.422 14.747 ( 0.274 -15.904 -25.002) 29.633 15.942 ( 12.276 2.854 9.483) 15.772 16.017 ( 12.800 -0.607 9.820) 16.144 16.120 ( 13.013 4.847 -9.616) 16.891 16.189 ( 11.349 0.888 -8.439) 14.171 ======================= Grid point 233 (76/93) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -5.544 5.689 11.277) 13.794 0.906 ( -13.098 4.134 4.878) 14.576 1.003 ( -11.435 5.106 -3.990) 13.144 1.131 ( -16.839 2.852 -10.719) 20.164 1.530 ( -6.937 -0.187 18.222) 19.498 1.678 ( -1.856 -2.462 -1.956) 3.652 1.861 ( 2.029 1.553 10.209) 10.524 2.008 ( 0.684 -1.359 10.690) 10.798 2.100 ( -4.724 -2.464 8.595) 10.113 2.160 ( 1.974 -0.667 -14.568) 14.717 2.191 ( -2.054 -1.656 -7.536) 7.985 2.246 ( -1.049 0.076 -9.687) 9.744 2.336 ( 2.061 1.303 0.286) 2.455 2.361 ( 1.783 2.371 -1.308) 3.242 2.456 ( -3.356 1.066 0.521) 3.560 2.513 ( -1.636 1.173 -5.066) 5.451 2.704 ( 2.556 0.753 3.617) 4.493 2.762 ( 2.939 0.582 -2.489) 3.896 2.886 ( 2.648 0.561 1.196) 2.959 2.922 ( -0.134 -1.340 1.238) 1.829 2.952 ( 1.504 -5.688 -1.764) 6.142 2.985 ( 0.591 -2.457 -1.310) 2.847 3.213 ( 4.659 1.038 1.267) 4.939 3.246 ( 5.106 -1.064 -2.368) 5.728 3.744 ( 2.113 0.019 2.349) 3.160 3.784 ( 7.454 -0.363 -1.825) 7.683 4.170 ( -1.221 0.099 3.611) 3.813 4.253 ( -3.377 -0.012 -5.073) 6.094 4.502 ( -2.748 0.407 2.040) 3.446 4.527 ( -3.207 1.478 -0.559) 3.575 7.630 ( -11.767 0.089 9.846) 15.344 7.723 ( -15.050 -0.178 -1.444) 15.120 8.131 ( -0.008 -0.584 -0.544) 0.798 8.142 ( 3.344 -0.522 -1.211) 3.594 8.348 ( -16.101 -0.562 5.598) 17.056 8.472 ( -16.881 -0.965 -6.270) 18.034 9.108 ( 3.666 0.294 25.499) 25.763 9.552 ( -31.415 0.347 3.876) 31.655 9.592 ( 2.499 0.928 -21.681) 21.845 9.657 ( -30.368 -0.374 -8.709) 31.594 10.663 ( 0.947 -1.458 1.830) 2.524 10.707 ( -6.715 0.364 3.213) 7.453 10.723 ( -0.432 -0.452 -0.790) 1.008 10.850 ( -7.413 -0.323 -9.501) 12.055 11.244 ( -4.077 -0.113 9.964) 10.767 11.459 ( -7.410 -0.092 -11.669) 13.823 11.785 ( 10.445 0.819 9.024) 13.828 11.842 ( 3.155 3.242 11.519) 12.376 11.968 ( 3.221 0.866 -5.897) 6.775 12.087 ( 3.252 5.734 -9.271) 11.376 13.825 ( -3.486 -0.567 13.238) 13.701 14.028 ( -2.470 -0.686 -8.260) 8.649 14.104 ( 3.603 -3.281 8.265) 9.595 14.233 ( -1.677 -10.416 0.016) 10.550 14.373 ( -0.678 -25.612 26.660) 36.975 14.942 ( 3.902 -19.192 -29.028) 35.017 16.086 ( 6.433 4.100 8.853) 11.686 16.210 ( 7.260 -0.667 6.629) 9.854 16.270 ( 7.749 5.856 -9.571) 13.636 16.357 ( 8.420 3.854 -8.375) 12.486 ======================= Grid point 234 (77/93) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -0.000 3.728 15.108) 15.561 0.696 ( -0.000 6.527 12.991) 14.538 0.900 ( -0.000 4.476 -8.766) 9.843 0.914 ( -0.000 1.879 -15.565) 15.678 1.464 ( -0.000 0.680 23.441) 23.451 1.683 ( 0.000 -2.314 -3.659) 4.329 1.874 ( -0.000 1.424 9.830) 9.933 2.049 ( 0.000 -1.780 10.538) 10.688 2.055 ( 0.000 -3.265 10.459) 10.957 2.175 ( 0.000 -0.499 -2.301) 2.355 2.179 ( 0.000 -0.284 -19.270) 19.272 2.245 ( 0.000 -0.180 -10.156) 10.158 2.358 ( -0.000 1.363 0.533) 1.463 2.379 ( -0.000 3.002 -1.789) 3.495 2.380 ( -0.000 0.191 1.379) 1.392 2.475 ( -0.000 2.243 -7.346) 7.681 2.725 ( -0.000 0.577 3.895) 3.938 2.788 ( -0.000 0.522 -2.948) 2.993 2.904 ( -0.000 0.505 0.632) 0.809 2.927 ( -0.000 0.083 -0.264) 0.277 3.010 ( 0.000 -3.051 -0.959) 3.198 3.016 ( 0.000 -5.364 0.144) 5.366 3.248 ( -0.000 1.665 2.088) 2.670 3.302 ( -0.000 0.557 -3.900) 3.940 3.761 ( 0.000 -0.393 5.477) 5.491 3.868 ( 0.000 -0.412 -5.836) 5.851 4.159 ( 0.000 -0.482 2.672) 2.715 4.214 ( 0.000 -0.884 -2.960) 3.089 4.476 ( -0.000 0.372 1.300) 1.353 4.495 ( -0.000 0.761 -0.765) 1.079 7.514 ( -0.000 0.044 7.780) 7.780 7.576 ( 0.000 -0.081 -0.431) 0.438 8.128 ( 0.000 -0.228 7.872) 7.875 8.216 ( 0.000 -0.719 -0.703) 1.006 8.227 ( 0.000 -0.965 -1.457) 1.748 8.281 ( 0.000 -0.161 -6.336) 6.338 9.173 ( -0.000 0.637 24.721) 24.729 9.181 ( -0.000 0.445 5.047) 5.067 9.316 ( -0.000 0.396 -9.522) 9.530 9.624 ( -0.000 0.744 -23.042) 23.054 10.634 ( -0.000 0.064 5.285) 5.286 10.709 ( 0.000 -1.550 -0.102) 1.553 10.725 ( 0.000 -0.256 -1.381) 1.405 10.767 ( 0.000 -0.047 -9.309) 9.309 11.209 ( 0.000 -0.029 8.313) 8.313 11.388 ( -0.000 0.102 -10.147) 10.148 11.838 ( -0.000 3.961 15.641) 16.135 11.904 ( -0.000 0.109 4.383) 4.385 11.997 ( -0.000 0.274 -4.800) 4.808 12.076 ( -0.000 2.563 -9.408) 9.751 13.793 ( 0.000 -0.165 13.160) 13.161 14.002 ( 0.000 -0.128 -9.375) 9.376 14.159 ( 0.000 -1.493 7.616) 7.761 14.292 ( 0.000 -4.848 -5.274) 7.164 14.621 ( 0.000 -38.055 32.101) 49.786 15.132 ( 0.000 -15.687 -24.583) 29.162 16.107 ( -0.000 5.042 7.105) 8.713 16.259 ( -0.000 8.702 -7.829) 11.706 16.304 ( -0.000 2.109 2.825) 3.525 16.410 ( -0.000 1.872 -6.307) 6.579 ======================= Grid point 237 (78/93) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 10.698 0.000 7.504) 13.068 1.399 ( 8.448 0.000 -5.215) 9.928 1.582 ( 0.842 0.000 2.779) 2.904 1.621 ( 7.778 0.000 5.766) 9.682 1.712 ( -2.449 -0.000 4.918) 5.494 1.918 ( -1.505 -0.000 0.294) 1.533 1.922 ( -3.066 -0.000 3.958) 5.007 1.934 ( -4.736 -0.000 -8.792) 9.986 2.132 ( -3.546 -0.000 -0.331) 3.561 2.169 ( -1.771 -0.000 -3.167) 3.629 2.234 ( 1.325 0.000 0.825) 1.561 2.264 ( -1.913 -0.000 -2.742) 3.343 2.359 ( 5.117 0.000 2.331) 5.623 2.429 ( 1.806 0.000 -4.438) 4.791 2.541 ( -2.528 -0.000 1.778) 3.091 2.574 ( -3.415 -0.000 -1.924) 3.920 2.653 ( 0.211 0.000 -0.271) 0.343 2.671 ( 0.017 0.000 -2.005) 2.005 2.743 ( 5.547 0.000 2.072) 5.921 2.751 ( 3.765 0.000 0.980) 3.891 2.943 ( -4.048 -0.000 2.042) 4.534 2.958 ( -4.026 -0.000 0.674) 4.082 3.076 ( 0.599 0.000 5.717) 5.748 3.172 ( -2.663 -0.000 -1.644) 3.129 3.292 ( -0.970 -0.000 3.988) 4.104 3.442 ( -7.763 -0.000 -8.959) 11.855 4.212 ( 0.899 0.000 1.714) 1.936 4.268 ( -0.697 -0.000 -4.288) 4.344 4.789 ( 4.108 0.000 2.638) 4.882 4.811 ( 6.216 0.000 0.109) 6.217 8.151 ( 2.426 0.000 1.321) 2.762 8.177 ( 1.997 0.000 -1.338) 2.403 8.576 ( 15.721 0.000 6.534) 17.025 8.592 ( 7.682 0.000 4.135) 8.724 8.851 ( -3.570 -0.000 19.495) 19.820 9.109 ( -10.904 -0.000 -4.452) 11.778 9.923 ( 24.267 0.000 6.582) 25.144 9.989 ( 23.344 0.000 0.753) 23.356 10.495 ( 6.174 0.000 -3.769) 7.233 10.627 ( -0.991 -0.000 -14.761) 14.795 10.967 ( 2.208 0.000 0.263) 2.224 10.984 ( 0.360 0.000 -1.753) 1.790 11.120 ( 0.986 0.000 0.460) 1.088 11.134 ( -3.371 -0.000 -0.890) 3.487 11.330 ( -4.380 -0.000 3.369) 5.526 11.382 ( -9.289 -0.000 -2.209) 9.548 11.981 ( 19.437 0.000 -4.310) 19.909 12.059 ( 12.586 0.000 -11.092) 16.777 12.397 ( 27.979 0.000 2.141) 28.061 12.442 ( 16.703 0.000 -2.749) 16.927 13.408 ( -19.739 -0.000 5.286) 20.435 13.534 ( -20.035 -0.000 -7.622) 21.436 14.111 ( 1.933 0.000 7.839) 8.074 14.132 ( -1.141 -0.000 5.300) 5.421 15.022 ( 3.411 0.000 3.774) 5.087 15.080 ( -3.051 -0.000 -1.356) 3.339 15.395 ( -14.213 -0.000 -0.590) 14.226 15.434 ( -3.319 -0.000 -6.200) 7.032 15.563 ( -9.855 -0.000 11.474) 15.126 15.776 ( -12.476 -0.000 -10.719) 16.448 ======================= Grid point 238 (79/93) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 5.819 -0.331 3.327) 6.711 1.491 ( -0.976 0.299 -1.643) 1.934 1.585 ( -0.468 0.422 4.649) 4.691 1.640 ( -2.906 0.019 -0.043) 2.906 1.739 ( 4.645 -0.070 3.311) 5.705 1.824 ( -5.309 -1.748 -1.691) 5.840 1.852 ( -4.889 0.396 2.071) 5.324 1.906 ( 1.567 -0.698 3.625) 4.011 2.083 ( -1.578 0.434 -4.978) 5.241 2.137 ( -1.691 0.349 -7.094) 7.301 2.248 ( 0.793 0.041 0.735) 1.082 2.261 ( 1.198 0.085 -0.708) 1.395 2.456 ( 3.944 0.405 0.415) 3.986 2.461 ( 2.503 -0.029 0.106) 2.505 2.496 ( -1.365 0.106 -0.055) 1.370 2.502 ( -3.955 0.437 -0.954) 4.092 2.656 ( -0.104 0.381 1.127) 1.194 2.683 ( 0.377 -0.987 -1.832) 2.115 2.791 ( -0.378 0.182 3.618) 3.643 2.824 ( 1.653 0.454 0.419) 1.765 2.893 ( -1.958 0.522 1.108) 2.309 2.896 ( -0.003 0.395 0.501) 0.638 3.055 ( -6.779 -0.567 6.806) 9.622 3.093 ( 1.040 -0.074 4.837) 4.948 3.297 ( -5.946 0.818 -3.432) 6.914 3.370 ( 5.263 -0.565 -8.853) 10.314 4.230 ( 0.831 -0.294 -0.064) 0.884 4.256 ( -0.780 -0.351 -3.009) 3.128 4.840 ( 1.360 0.071 5.062) 5.242 4.904 ( 3.462 -0.010 -1.877) 3.938 8.186 ( 0.665 0.323 0.318) 0.805 8.195 ( 0.068 -0.657 -0.669) 0.940 8.685 ( 2.705 -0.050 16.046) 16.273 8.772 ( -3.997 0.093 14.811) 15.342 8.855 ( 12.831 -0.047 -3.664) 13.344 8.893 ( -12.036 0.047 -0.221) 12.039 10.177 ( 0.686 0.747 7.437) 7.506 10.199 ( -1.871 -0.622 5.043) 5.415 10.561 ( -6.866 -0.218 -11.668) 13.540 10.610 ( 4.087 0.248 -15.698) 16.223 10.994 ( 3.364 0.242 0.184) 3.377 10.999 ( 3.563 -0.116 -0.234) 3.573 11.117 ( -0.097 0.009 -0.594) 0.602 11.125 ( 1.441 0.106 -1.353) 1.979 11.288 ( -0.171 -0.074 1.468) 1.480 11.307 ( 4.018 0.099 -0.616) 4.067 12.205 ( 1.135 0.260 -7.552) 7.641 12.209 ( 0.851 -0.223 -7.940) 7.989 12.694 ( 5.458 0.194 2.891) 6.180 12.706 ( -0.514 -0.394 1.915) 2.022 13.182 ( 3.751 -0.158 -3.136) 4.891 13.218 ( -8.925 0.281 -6.143) 10.838 14.085 ( -4.610 -0.113 6.336) 7.836 14.102 ( -2.849 -0.114 5.009) 5.764 14.940 ( -9.324 0.884 5.539) 10.882 14.960 ( -13.666 -1.578 3.860) 14.288 15.225 ( 0.571 -0.622 13.156) 13.183 15.497 ( 7.790 2.703 -11.227) 13.930 15.537 ( 4.735 -1.250 -2.973) 5.729 15.597 ( -3.461 0.140 -5.973) 6.905 ======================= Grid point 239 (80/93) ======================= q-point: (-0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -9.079 2.112 3.525) 9.966 1.440 ( -6.451 0.413 -5.085) 8.225 1.541 ( -2.390 0.179 6.028) 6.487 1.635 ( -0.156 -0.314 -4.373) 4.387 1.764 ( -0.897 0.836 10.923) 10.991 1.833 ( 3.774 -1.965 0.875) 4.344 1.847 ( 1.757 -3.709 3.197) 5.203 1.965 ( 3.341 -1.924 -3.701) 5.344 2.055 ( -1.774 1.074 -5.121) 5.525 2.078 ( -3.931 -0.116 -5.661) 6.892 2.270 ( 1.825 0.331 1.279) 2.253 2.294 ( 2.431 0.277 -1.225) 2.736 2.411 ( -4.672 1.555 1.072) 5.040 2.430 ( -2.703 1.236 -0.836) 3.088 2.530 ( 2.676 -0.071 1.048) 2.875 2.545 ( 3.643 -0.192 -0.625) 3.701 2.635 ( -1.574 0.486 2.117) 2.682 2.673 ( -2.860 -0.974 -0.978) 3.176 2.753 ( -1.511 -0.360 2.364) 2.829 2.805 ( -2.176 0.146 -2.487) 3.308 2.876 ( -0.304 0.852 3.630) 3.741 2.913 ( 1.590 1.432 -0.383) 2.174 2.991 ( -1.276 -2.389 3.611) 4.514 3.072 ( -3.942 -1.581 -4.449) 6.151 3.277 ( 5.350 0.140 10.478) 11.766 3.483 ( 6.598 0.122 -11.014) 12.840 4.236 ( -0.542 0.098 -0.423) 0.695 4.256 ( 0.456 -0.947 -2.370) 2.592 4.829 ( -2.479 0.687 6.884) 7.349 4.924 ( -0.921 1.173 -3.539) 3.840 8.163 ( -2.166 0.092 1.261) 2.508 8.192 ( -1.417 -0.344 -1.741) 2.271 8.582 ( -15.062 0.282 13.582) 20.284 8.641 ( -9.997 0.622 3.731) 10.689 8.792 ( 2.946 -0.742 15.406) 15.702 9.094 ( 12.039 -0.195 -9.914) 15.597 9.935 ( -23.103 0.492 4.101) 23.469 9.962 ( -23.409 -0.400 2.008) 23.498 10.434 ( -6.217 -0.806 -0.241) 6.274 10.624 ( -1.089 -0.094 -15.573) 15.611 11.017 ( -3.025 0.469 0.252) 3.071 11.034 ( -1.112 0.435 -1.801) 2.161 11.138 ( -0.591 0.347 1.059) 1.261 11.164 ( 4.521 0.498 -1.521) 4.796 11.393 ( 11.541 1.177 7.347) 13.732 11.516 ( 16.632 1.891 -6.484) 17.951 11.997 ( -20.075 0.346 -3.009) 20.302 12.088 ( -11.447 0.531 -11.415) 16.175 12.452 ( -26.722 0.654 1.760) 26.788 12.484 ( -16.370 0.489 -1.891) 16.486 13.379 ( 19.058 -0.192 2.566) 19.231 13.455 ( 18.159 -1.284 -5.244) 18.944 13.987 ( -5.929 -1.539 4.427) 7.557 14.021 ( -5.991 -2.477 2.267) 6.868 14.623 ( -21.624 -4.924 8.405) 23.716 14.785 ( -10.386 -1.725 -6.591) 12.421 15.395 ( 15.472 0.021 15.921) 22.201 15.560 ( 5.735 -0.415 1.610) 5.971 15.690 ( 12.665 1.536 -4.954) 13.686 15.751 ( 12.857 0.839 -10.942) 16.903 ======================= Grid point 240 (81/93) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -7.159 4.403 4.912) 9.735 1.288 ( -7.614 1.701 -6.762) 10.324 1.493 ( -3.118 0.943 9.063) 9.630 1.610 ( -2.648 1.009 -4.416) 5.247 1.756 ( -0.090 0.514 8.449) 8.465 1.825 ( -6.315 -2.448 1.269) 6.891 1.907 ( -6.015 -5.753 1.606) 8.477 1.979 ( 0.324 0.601 4.370) 4.423 2.045 ( 2.064 -2.550 -3.521) 4.813 2.065 ( 1.200 -1.223 -13.218) 13.328 2.298 ( -0.818 -0.097 1.468) 1.683 2.312 ( -0.823 2.608 3.041) 4.090 2.333 ( -1.142 -0.255 -1.799) 2.146 2.360 ( -1.142 2.962 -2.086) 3.799 2.535 ( -2.458 -0.519 1.746) 3.060 2.552 ( -2.604 -0.653 0.223) 2.694 2.635 ( 2.181 -0.487 0.504) 2.291 2.654 ( 0.571 -0.979 -1.594) 1.956 2.762 ( 1.801 -0.236 -0.192) 1.827 2.782 ( 0.372 -0.342 -2.476) 2.527 2.870 ( 0.416 -0.036 4.079) 4.101 2.929 ( 1.465 1.311 -1.724) 2.615 3.017 ( 1.572 -2.416 2.056) 3.541 3.051 ( 0.617 -2.165 -1.796) 2.880 3.428 ( 9.906 -0.132 9.297) 13.586 3.603 ( 6.445 0.195 -9.344) 11.353 4.222 ( -0.765 0.174 1.705) 1.877 4.275 ( 0.703 -0.689 -3.730) 3.858 4.740 ( -6.162 1.188 7.385) 9.691 4.848 ( -5.714 2.373 -4.322) 7.547 8.119 ( -2.348 0.128 1.810) 2.967 8.150 ( -3.517 0.138 -0.408) 3.543 8.269 ( -17.390 -0.304 10.542) 20.338 8.400 ( -16.231 0.408 -2.738) 16.466 8.876 ( 4.586 -0.727 22.682) 23.152 9.263 ( 0.125 0.202 -14.989) 14.991 9.412 ( -31.711 0.318 3.566) 31.912 9.480 ( -21.169 -0.060 -1.141) 21.200 10.341 ( -5.748 -1.162 6.641) 8.859 10.579 ( -5.672 -0.675 -13.558) 14.712 10.893 ( -10.127 0.531 1.244) 10.217 10.930 ( -11.093 0.552 -2.878) 11.473 11.063 ( -7.449 0.675 4.677) 8.821 11.196 ( -3.224 0.354 -8.643) 9.231 11.592 ( 7.179 4.133 12.749) 15.204 11.644 ( -9.252 0.216 1.443) 9.366 11.674 ( -9.909 1.117 2.025) 10.175 11.871 ( -8.709 -0.050 -13.607) 16.156 12.060 ( -1.319 4.575 -1.151) 4.899 12.158 ( -16.372 1.087 -9.490) 18.955 13.703 ( 11.002 -2.547 6.499) 13.030 13.763 ( 11.498 -4.545 3.939) 12.976 13.912 ( -0.370 -2.219 0.087) 2.251 13.985 ( -1.065 -4.229 -2.667) 5.112 14.293 ( -19.420 -8.281 12.701) 24.637 14.606 ( -10.970 -4.888 -17.479) 21.207 15.711 ( 17.120 0.781 11.442) 20.606 15.746 ( 13.190 -1.158 9.992) 16.588 15.919 ( 12.303 -0.229 -6.315) 13.831 15.994 ( 15.155 2.623 -11.383) 19.134 ======================= Grid point 241 (82/93) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -4.590 6.870 6.439) 10.475 1.147 ( -5.565 4.118 -5.979) 9.147 1.378 ( -9.269 4.111 7.613) 12.680 1.477 ( -12.033 2.399 -4.093) 12.935 1.663 ( -11.686 -2.767 2.257) 12.219 1.691 ( -6.150 -2.487 -1.109) 6.726 1.851 ( -0.218 -1.652 11.476) 11.596 1.995 ( 0.125 0.297 7.971) 7.978 2.081 ( -1.235 -3.906 0.897) 4.194 2.107 ( 2.161 -0.249 -12.614) 12.800 2.242 ( -4.684 0.202 -4.932) 6.804 2.256 ( -2.007 -0.648 -3.342) 3.952 2.336 ( 2.375 1.666 2.700) 3.963 2.381 ( 2.553 2.227 -1.750) 3.813 2.500 ( -1.755 -0.668 0.141) 1.883 2.526 ( -0.386 -0.808 -2.111) 2.293 2.673 ( 2.089 0.247 1.521) 2.596 2.696 ( 2.060 -2.284 -0.654) 3.145 2.805 ( 1.752 -1.437 -0.499) 2.320 2.813 ( 0.996 -2.641 -1.332) 3.121 2.894 ( 2.002 0.388 3.109) 3.718 2.958 ( 3.082 1.789 -2.864) 4.572 3.087 ( 4.027 -2.700 2.022) 5.253 3.120 ( 4.907 -1.622 -1.554) 5.397 3.612 ( 9.772 -0.031 4.952) 10.955 3.703 ( 4.369 0.314 -4.698) 6.423 4.204 ( -0.938 0.541 3.450) 3.616 4.287 ( -0.095 -0.201 -5.239) 5.243 4.605 ( -6.942 0.783 5.896) 9.141 4.694 ( -8.273 2.561 -3.517) 9.347 7.910 ( -17.146 0.528 12.680) 21.332 8.058 ( -20.035 0.062 -3.500) 20.339 8.101 ( -0.228 -0.345 0.635) 0.757 8.131 ( -2.056 -0.854 -2.713) 3.510 8.761 ( -26.195 0.106 5.116) 26.690 8.857 ( -27.118 -0.574 -5.165) 27.611 9.039 ( 1.741 -0.165 25.153) 25.214 9.504 ( 7.678 0.930 -19.031) 20.542 10.149 ( -20.196 -0.805 2.636) 20.384 10.234 ( -34.661 -0.234 -4.034) 34.896 10.686 ( -8.697 -0.572 1.285) 8.810 10.739 ( -4.265 0.022 -2.806) 5.105 10.889 ( -10.297 0.743 3.744) 10.982 11.023 ( -11.523 0.236 -10.906) 15.867 11.374 ( -11.922 -0.077 13.615) 18.097 11.589 ( 0.765 -0.663 9.041) 9.097 11.642 ( -1.828 1.288 -7.580) 7.903 11.854 ( 2.758 0.835 -12.647) 12.972 11.967 ( 1.481 4.302 6.702) 8.101 12.162 ( 8.870 8.049 -9.982) 15.592 13.735 ( -9.346 -16.808 20.891) 28.396 13.933 ( 2.552 -1.404 11.168) 11.541 13.975 ( -4.957 -4.610 8.737) 11.053 14.065 ( 4.942 -4.499 0.476) 6.700 14.129 ( 1.590 -2.215 -7.638) 8.110 14.517 ( -4.617 -11.820 -29.077) 31.725 15.951 ( 10.355 -1.190 10.676) 14.921 16.028 ( 14.925 1.570 11.079) 18.654 16.124 ( 9.149 -1.626 -7.442) 11.906 16.253 ( 15.844 4.645 -12.341) 20.613 ======================= Grid point 242 (83/93) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -5.275 8.150 8.160) 12.682 0.984 ( -9.982 5.470 2.952) 11.759 1.099 ( -10.263 6.580 -3.776) 12.762 1.180 ( -15.268 3.041 -7.992) 17.500 1.527 ( -4.689 -0.246 12.693) 13.534 1.641 ( -1.754 -2.012 -2.075) 3.380 1.876 ( 1.665 0.152 10.757) 10.886 1.989 ( -1.040 -1.282 9.925) 10.061 2.054 ( -3.422 -2.525 9.009) 9.963 2.149 ( 1.143 -0.753 -10.824) 10.910 2.173 ( -2.075 -0.562 -10.864) 11.075 2.242 ( -0.452 -0.393 -9.861) 9.879 2.363 ( 2.040 1.743 3.032) 4.049 2.400 ( 1.365 2.281 0.261) 2.671 2.470 ( -1.835 0.631 -0.465) 1.995 2.531 ( 0.216 1.066 -5.408) 5.516 2.715 ( 2.604 0.526 3.093) 4.077 2.759 ( 2.856 -2.023 -1.022) 3.647 2.838 ( -0.814 -4.605 0.774) 4.740 2.854 ( 0.021 -5.112 -0.789) 5.172 2.920 ( 1.516 1.434 2.744) 3.447 3.000 ( 2.828 2.174 -4.322) 5.604 3.205 ( 5.720 -2.668 0.563) 6.336 3.229 ( 5.104 -0.390 -1.636) 5.374 3.744 ( 1.497 0.003 2.038) 2.529 3.778 ( 6.827 -0.401 -1.440) 6.989 4.177 ( -1.277 0.808 3.054) 3.407 4.256 ( -3.331 0.473 -5.365) 6.332 4.504 ( -3.420 -0.119 3.336) 4.779 4.551 ( -4.391 1.443 -1.575) 4.883 7.631 ( -11.903 0.119 9.529) 15.248 7.720 ( -15.058 -0.185 -1.291) 15.114 8.120 ( 0.250 -0.639 -0.427) 0.808 8.133 ( 3.109 -0.554 -1.274) 3.405 8.339 ( -16.654 -0.540 5.310) 17.488 8.457 ( -16.648 -0.871 -5.808) 17.654 9.114 ( 4.189 0.489 25.603) 25.948 9.560 ( -30.561 0.680 3.735) 30.795 9.601 ( -4.483 0.128 -24.751) 25.154 9.663 ( -21.884 1.214 -4.779) 22.433 10.638 ( 0.559 -1.668 3.695) 4.092 10.711 ( -6.006 -0.174 5.276) 7.996 10.716 ( -1.748 -0.042 -3.508) 3.919 10.845 ( -7.593 -0.239 -9.307) 12.014 11.242 ( -3.958 -0.108 9.925) 10.686 11.458 ( -7.080 -0.067 -11.887) 13.836 11.777 ( 9.803 -0.884 8.692) 13.131 11.919 ( 4.730 4.350 5.037) 8.165 11.989 ( 2.162 2.428 2.705) 4.229 12.195 ( 1.627 7.557 -8.228) 11.289 13.740 ( -6.504 -22.629 32.044) 39.765 13.844 ( -7.126 -5.783 21.915) 23.759 14.011 ( -0.695 -1.975 -7.875) 8.149 14.096 ( 0.821 -2.401 4.218) 4.923 14.267 ( 5.940 -1.536 -5.087) 7.970 14.625 ( 1.409 -18.507 -36.796) 41.212 16.108 ( 5.590 -1.147 10.123) 11.621 16.224 ( 7.852 2.328 9.493) 12.538 16.274 ( 5.619 -1.859 -6.126) 8.518 16.465 ( 11.254 6.524 -15.133) 19.955 ======================= Grid point 243 (84/93) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.000 5.637 12.437) 13.655 0.833 ( -0.000 9.977 9.926) 14.074 0.953 ( -0.000 2.819 -13.911) 14.193 0.999 ( -0.000 7.605 -7.986) 11.028 1.479 ( -0.000 1.172 17.918) 17.956 1.644 ( 0.000 -2.263 -2.720) 3.538 1.893 ( -0.000 0.776 9.423) 9.455 1.995 ( 0.000 -4.005 10.749) 11.471 2.029 ( 0.000 -0.433 11.813) 11.820 2.153 ( 0.000 -2.097 -6.192) 6.537 2.175 ( 0.000 -0.036 -17.214) 17.214 2.242 ( 0.000 -0.172 -11.026) 11.028 2.380 ( -0.000 1.289 2.028) 2.403 2.394 ( -0.000 1.404 4.775) 4.977 2.429 ( -0.000 2.918 -3.217) 4.343 2.514 ( -0.000 2.452 -7.151) 7.560 2.738 ( -0.000 0.935 3.742) 3.857 2.799 ( -0.000 0.813 -2.893) 3.005 2.871 ( 0.000 -6.746 3.347) 7.531 2.900 ( 0.000 -6.883 -0.055) 6.883 2.923 ( -0.000 1.452 1.909) 2.398 3.012 ( -0.000 1.854 -5.062) 5.391 3.273 ( -0.000 1.111 -0.116) 1.117 3.291 ( 0.000 -1.967 -2.528) 3.203 3.753 ( 0.000 -0.639 5.458) 5.495 3.859 ( 0.000 -0.664 -5.816) 5.854 4.157 ( -0.000 0.409 2.105) 2.145 4.206 ( -0.000 0.036 -2.861) 2.861 4.478 ( 0.000 -0.262 2.146) 2.162 4.509 ( -0.000 0.897 -1.307) 1.585 7.515 ( -0.000 0.070 7.582) 7.582 7.574 ( 0.000 -0.136 -0.345) 0.371 8.123 ( 0.000 -0.365 8.030) 8.038 8.201 ( 0.000 -1.034 -1.007) 1.443 8.209 ( 0.000 -1.184 -1.398) 1.831 8.278 ( 0.000 -0.259 -6.323) 6.328 9.188 ( -0.000 1.196 25.394) 25.423 9.190 ( -0.000 0.720 4.949) 5.001 9.324 ( -0.000 0.639 -9.504) 9.526 9.644 ( -0.000 1.814 -22.315) 22.389 10.635 ( -0.000 0.107 5.184) 5.185 10.677 ( 0.000 -2.328 2.096) 3.133 10.719 ( 0.000 -0.515 -2.053) 2.116 10.766 ( 0.000 -0.075 -9.154) 9.154 11.208 ( 0.000 -0.045 8.410) 8.410 11.391 ( -0.000 0.165 -10.365) 10.366 11.907 ( -0.000 0.179 4.610) 4.614 11.914 ( -0.000 4.876 16.848) 17.540 12.003 ( -0.000 0.440 -4.959) 4.978 12.140 ( -0.000 5.528 -5.177) 7.574 13.790 ( 0.000 -0.269 13.217) 13.219 13.911 ( 0.000 -32.533 42.608) 53.609 14.000 ( 0.000 -0.208 -9.409) 9.411 14.136 ( 0.000 -3.272 6.302) 7.101 14.339 ( 0.000 -3.099 -1.622) 3.497 14.809 ( 0.000 -21.704 -37.134) 43.012 16.163 ( -0.000 0.783 9.849) 9.880 16.281 ( -0.000 1.035 6.290) 6.375 16.340 ( 0.000 -0.862 -4.590) 4.671 16.517 ( -0.000 8.240 -16.147) 18.128 ======================= Grid point 248 (85/93) ======================= q-point: (-0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -8.205 -0.000 2.280) 8.516 1.443 ( -5.970 -0.000 -4.551) 7.507 1.542 ( -2.713 -0.000 6.030) 6.612 1.632 ( 0.133 0.000 -4.070) 4.072 1.771 ( -1.818 -0.000 10.930) 11.080 1.810 ( 2.182 0.000 2.335) 3.196 1.818 ( 3.363 0.000 0.427) 3.390 1.949 ( 2.670 0.000 -3.696) 4.559 2.068 ( -0.380 -0.000 -6.814) 6.825 2.074 ( -5.443 -0.000 -3.015) 6.223 2.273 ( 1.808 0.000 1.297) 2.225 2.296 ( 2.407 0.000 -1.199) 2.689 2.425 ( -4.388 -0.000 1.141) 4.534 2.440 ( -2.329 -0.000 -0.340) 2.354 2.530 ( 2.746 0.000 0.990) 2.919 2.544 ( 3.634 0.000 -0.522) 3.672 2.645 ( -1.148 -0.000 1.181) 1.647 2.659 ( -3.166 -0.000 -0.142) 3.169 2.751 ( -1.934 -0.000 2.813) 3.413 2.805 ( -2.465 -0.000 -2.585) 3.572 2.886 ( -0.194 -0.000 4.278) 4.282 2.931 ( 2.236 0.000 -0.965) 2.435 2.965 ( -1.943 -0.000 3.993) 4.441 3.058 ( -4.506 -0.000 -5.258) 6.925 3.278 ( 5.141 0.000 10.452) 11.648 3.484 ( 6.594 0.000 -11.011) 12.835 4.239 ( -0.893 -0.000 -1.210) 1.504 4.246 ( 0.947 0.000 -1.624) 1.881 4.834 ( -2.285 -0.000 7.105) 7.463 4.934 ( -0.551 -0.000 -3.758) 3.798 8.164 ( -2.250 -0.000 1.002) 2.463 8.188 ( -1.233 -0.000 -1.566) 1.994 8.584 ( -15.319 -0.000 14.458) 21.064 8.646 ( -9.780 -0.000 3.897) 10.527 8.786 ( 2.815 0.000 14.677) 14.944 9.093 ( 12.221 0.000 -10.553) 16.146 9.940 ( -23.380 -0.000 3.398) 23.626 9.958 ( -23.038 -0.000 2.590) 23.183 10.427 ( -6.305 -0.000 0.136) 6.306 10.623 ( -1.299 -0.000 -15.646) 15.700 11.021 ( -3.090 -0.000 0.236) 3.099 11.037 ( -1.164 -0.000 -1.800) 2.144 11.141 ( -0.622 -0.000 1.098) 1.262 11.168 ( 4.452 0.000 -1.605) 4.732 11.404 ( 12.563 0.000 7.750) 14.761 11.532 ( 17.240 0.000 -6.830) 18.543 12.000 ( -20.096 -0.000 -2.883) 20.302 12.093 ( -11.093 -0.000 -11.425) 15.925 12.457 ( -26.631 -0.000 1.739) 26.688 12.488 ( -16.110 -0.000 -1.774) 16.207 13.378 ( 19.095 0.000 2.111) 19.212 13.444 ( 17.468 0.000 -4.675) 18.083 13.977 ( -5.689 -0.000 2.818) 6.349 13.997 ( -7.962 -0.000 2.351) 8.302 14.584 ( -22.240 -0.000 10.420) 24.560 14.771 ( -10.979 -0.000 -7.493) 13.293 15.395 ( 15.687 0.000 16.781) 22.971 15.556 ( 5.426 0.000 1.269) 5.572 15.700 ( 11.378 0.000 -3.688) 11.961 15.761 ( 13.720 0.000 -12.480) 18.547 ======================= Grid point 250 (86/93) ======================= q-point: (-0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -4.807 2.985 1.538) 5.864 1.308 ( -6.610 0.544 -5.372) 8.535 1.504 ( -1.806 0.374 9.436) 9.615 1.621 ( -1.380 0.338 -4.237) 4.469 1.760 ( 0.064 -0.021 9.953) 9.953 1.786 ( -6.418 -1.874 2.640) 7.188 1.834 ( -7.315 -2.570 -1.346) 7.869 1.989 ( -0.276 0.405 3.955) 3.985 1.999 ( 1.896 -1.595 -8.868) 9.207 2.071 ( 0.915 0.377 -8.800) 8.856 2.297 ( -0.500 -0.015 1.736) 1.807 2.326 ( -1.016 -0.121 -1.246) 1.612 2.347 ( -2.165 1.100 3.888) 4.584 2.397 ( -0.479 1.390 -1.878) 2.385 2.532 ( -2.658 0.145 1.296) 2.961 2.542 ( -3.690 -0.606 0.217) 3.746 2.626 ( 1.171 -0.436 0.747) 1.455 2.643 ( 1.071 -0.346 -1.157) 1.614 2.757 ( 1.884 -0.178 -0.273) 1.912 2.776 ( -0.188 -0.234 -2.358) 2.377 2.879 ( 0.616 0.629 5.884) 5.949 2.959 ( 2.051 1.963 -1.052) 3.028 2.983 ( 1.715 -1.549 1.204) 2.606 3.017 ( 0.400 -1.838 -3.504) 3.977 3.426 ( 9.864 -0.072 9.432) 13.648 3.604 ( 6.433 0.021 -9.581) 11.540 4.224 ( -0.659 0.079 1.036) 1.231 4.265 ( 1.011 -0.361 -3.158) 3.335 4.753 ( -6.306 0.431 8.136) 10.303 4.874 ( -5.635 0.831 -4.977) 7.564 8.120 ( -2.266 -0.002 1.381) 2.654 8.150 ( -2.951 -0.055 -1.006) 3.118 8.266 ( -18.279 -0.037 11.944) 21.835 8.405 ( -16.544 0.194 -2.726) 16.768 8.868 ( 4.973 -0.267 22.566) 23.109 9.266 ( 0.225 0.127 -15.935) 15.937 9.415 ( -31.971 0.116 3.293) 32.141 9.479 ( -20.786 -0.012 -1.397) 20.833 10.327 ( -5.667 -0.466 7.137) 9.125 10.571 ( -5.953 -0.265 -13.517) 14.772 10.899 ( -10.320 0.202 1.322) 10.407 10.936 ( -11.010 0.195 -2.759) 11.352 11.071 ( -7.243 0.265 4.567) 8.567 11.200 ( -3.205 0.149 -8.331) 8.927 11.638 ( -5.940 1.048 13.079) 14.402 11.647 ( 3.097 0.655 1.798) 3.641 11.687 ( -11.391 0.396 1.920) 11.558 11.871 ( -10.461 -0.027 -13.154) 16.806 12.118 ( 3.789 2.147 -3.635) 5.672 12.171 ( -15.977 0.391 -8.348) 18.031 13.643 ( -2.890 -3.042 10.546) 11.350 13.727 ( 16.731 -0.646 4.518) 17.343 13.897 ( 0.284 0.104 -5.711) 5.719 13.926 ( 1.630 -2.690 -4.748) 5.695 14.212 ( -18.108 -2.278 16.563) 24.646 14.557 ( -12.325 -1.466 -18.084) 21.934 15.720 ( 15.056 0.423 10.590) 18.412 15.730 ( 15.192 -0.797 10.697) 18.597 15.912 ( 11.333 -0.268 -4.502) 12.198 16.028 ( 15.837 1.166 -12.698) 20.332 ======================= Grid point 251 (87/93) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -2.206 6.923 2.486) 7.679 1.210 ( -3.239 3.142 -4.566) 6.420 1.442 ( -5.982 3.894 7.142) 10.097 1.512 ( -14.260 1.908 -1.993) 14.525 1.609 ( -11.987 -4.059 1.197) 12.712 1.645 ( -5.773 -3.042 -2.219) 6.893 1.814 ( 1.720 -2.389 11.132) 11.515 2.002 ( -0.783 0.168 5.390) 5.450 2.027 ( -0.233 -2.098 0.567) 2.186 2.105 ( 2.788 -0.239 -13.729) 14.011 2.244 ( -5.085 0.190 -2.038) 5.481 2.254 ( -2.356 0.220 -1.602) 2.857 2.356 ( 1.862 0.678 3.752) 4.243 2.416 ( 2.426 2.115 -2.223) 3.912 2.486 ( -1.776 -1.082 0.057) 2.080 2.516 ( 0.457 -0.455 -2.119) 2.215 2.653 ( 0.437 -2.273 1.390) 2.700 2.672 ( 1.643 -0.259 -0.366) 1.703 2.784 ( -0.065 -1.047 -1.020) 1.463 2.796 ( 1.649 -0.085 -1.678) 2.354 2.911 ( 3.340 1.388 5.391) 6.492 2.991 ( 3.264 2.040 -2.177) 4.422 3.043 ( 3.398 -2.501 2.137) 4.729 3.091 ( 5.554 -1.858 -3.431) 6.788 3.611 ( 9.861 -0.056 5.113) 11.108 3.705 ( 4.209 0.040 -4.923) 6.477 4.212 ( -0.554 0.380 2.737) 2.819 4.283 ( 0.457 -0.168 -4.788) 4.813 4.614 ( -7.764 0.362 7.196) 10.592 4.726 ( -8.992 1.378 -4.691) 10.235 7.916 ( -17.731 0.277 12.565) 21.733 8.056 ( -19.345 -0.244 -2.779) 19.545 8.099 ( -1.244 0.087 -0.119) 1.253 8.120 ( -1.743 -0.482 -2.508) 3.092 8.763 ( -26.361 0.124 4.933) 26.819 8.850 ( -27.367 -0.221 -4.588) 27.750 9.037 ( 2.081 -0.097 25.027) 25.113 9.516 ( 8.155 0.602 -20.826) 22.374 10.139 ( -19.453 -0.475 3.427) 19.758 10.231 ( -33.900 -0.156 -4.182) 34.157 10.679 ( -9.829 -0.285 1.923) 10.019 10.740 ( -5.059 0.045 -2.890) 5.826 10.900 ( -10.548 0.480 3.601) 11.156 11.027 ( -11.812 0.230 -10.370) 15.720 11.373 ( -12.198 -0.025 13.545) 18.228 11.580 ( 0.925 -0.403 8.919) 8.976 11.656 ( -5.013 0.513 -10.454) 11.605 11.861 ( 4.097 0.151 -15.116) 15.663 12.036 ( 3.198 3.635 12.704) 13.595 12.278 ( 10.010 5.893 -11.617) 16.428 13.483 ( -15.407 -12.344 30.011) 35.922 13.893 ( 0.979 -3.627 -5.713) 6.838 13.937 ( -7.223 -0.398 16.884) 18.368 14.009 ( 7.154 -2.377 -0.405) 7.550 14.114 ( 8.217 -0.403 -8.599) 11.901 14.383 ( -8.098 -5.044 -27.702) 29.299 15.929 ( 9.637 -1.185 10.543) 14.333 16.046 ( 15.567 0.412 9.669) 18.330 16.104 ( 8.962 -0.660 -3.778) 9.748 16.310 ( 16.210 2.448 -13.760) 21.404 ======================= Grid point 252 (88/93) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -10.439 7.496 4.971) 13.779 1.075 ( -5.535 5.682 1.727) 8.118 1.200 ( -12.067 5.063 -4.557) 13.857 1.223 ( -8.819 2.575 -5.088) 10.502 1.520 ( -2.132 -0.669 8.958) 9.232 1.616 ( -0.844 -1.089 -2.404) 2.770 1.864 ( 1.762 -1.500 11.732) 11.958 1.956 ( -4.072 -2.481 9.047) 10.227 2.037 ( 0.400 0.081 7.734) 7.745 2.138 ( -1.898 -0.459 -8.306) 8.532 2.168 ( -0.497 -0.380 -13.026) 13.041 2.239 ( 0.011 0.088 -8.117) 8.118 2.383 ( 1.571 0.709 4.283) 4.617 2.431 ( 0.629 1.568 2.765) 3.241 2.477 ( -0.044 0.278 -2.553) 2.568 2.545 ( 1.762 0.573 -5.287) 5.602 2.687 ( 0.378 -4.946 1.969) 5.337 2.712 ( 2.339 -1.242 0.376) 2.675 2.787 ( -1.109 -2.447 -0.375) 2.713 2.814 ( 0.476 0.159 -2.302) 2.356 2.951 ( 2.247 2.174 4.668) 5.618 3.032 ( 2.574 1.709 -3.222) 4.465 3.151 ( 5.124 -3.624 2.909) 6.917 3.219 ( 6.139 -0.796 -4.106) 7.429 3.743 ( 0.615 -0.091 1.886) 1.986 3.772 ( 6.664 -0.322 -1.108) 6.763 4.193 ( -0.829 1.069 2.389) 2.745 4.266 ( -2.597 0.663 -5.475) 6.095 4.499 ( -4.180 -0.391 4.612) 6.237 4.570 ( -5.568 0.903 -2.779) 6.288 7.633 ( -12.026 0.094 9.220) 15.154 7.718 ( -15.068 -0.140 -1.166) 15.114 8.111 ( 0.341 -0.471 -0.301) 0.655 8.125 ( 3.022 -0.373 -1.341) 3.327 8.332 ( -17.200 -0.350 5.115) 17.948 8.445 ( -16.530 -0.534 -5.493) 17.427 9.122 ( 4.744 0.455 25.730) 26.167 9.572 ( -30.482 0.702 4.007) 30.752 9.600 ( -11.455 -0.157 -22.625) 25.360 9.688 ( -12.663 1.580 -7.024) 14.566 10.613 ( -0.030 -1.345 5.137) 5.311 10.703 ( -2.130 -0.526 0.630) 2.283 10.720 ( -6.230 0.321 0.527) 6.260 10.842 ( -7.778 -0.080 -9.034) 11.921 11.240 ( -3.879 -0.072 9.920) 10.651 11.457 ( -6.797 -0.027 -12.037) 13.823 11.765 ( 9.858 -0.619 9.851) 13.950 11.954 ( 5.309 0.796 -7.913) 9.563 12.050 ( -0.105 4.113 16.339) 16.849 12.325 ( 1.640 8.319 -10.089) 13.178 13.375 ( -9.355 -19.191 42.964) 47.976 13.822 ( -4.398 -0.423 15.084) 15.717 13.957 ( 1.959 -4.702 -11.269) 12.367 14.067 ( -1.957 -1.264 -1.932) 3.027 14.250 ( 5.533 -0.623 -7.324) 9.200 14.390 ( 0.754 -10.320 -32.908) 34.496 16.078 ( 5.185 -1.956 10.260) 11.661 16.236 ( 4.713 -1.684 -6.624) 8.302 16.268 ( 9.006 1.883 12.800) 15.764 16.546 ( 11.210 3.655 -16.632) 20.387 ======================= Grid point 253 (89/93) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.000 5.454 9.516) 10.969 0.997 ( -0.000 2.479 -11.660) 11.921 0.998 ( -0.000 10.162 6.968) 12.322 1.128 ( -0.000 7.952 -7.357) 10.833 1.498 ( -0.000 1.063 12.104) 12.150 1.617 ( 0.000 -0.980 -2.393) 2.586 1.893 ( 0.000 -0.771 11.093) 11.120 1.934 ( 0.000 -3.481 11.101) 11.634 2.036 ( -0.000 1.100 11.370) 11.423 2.116 ( 0.000 -2.356 -8.629) 8.944 2.178 ( -0.000 0.205 -16.327) 16.329 2.240 ( 0.000 -0.010 -10.413) 10.413 2.396 ( -0.000 0.670 3.394) 3.460 2.419 ( -0.000 1.539 6.576) 6.754 2.468 ( -0.000 1.908 -4.207) 4.619 2.550 ( -0.000 1.908 -6.876) 7.136 2.747 ( 0.000 -7.676 2.873) 8.196 2.753 ( -0.000 0.942 3.471) 3.597 2.796 ( 0.000 -5.966 -2.242) 6.373 2.812 ( -0.000 0.777 -2.814) 2.920 2.954 ( -0.000 2.215 4.251) 4.793 3.045 ( -0.000 1.855 -4.380) 4.757 3.240 ( 0.000 -3.888 0.974) 4.008 3.284 ( -0.000 0.110 -2.915) 2.917 3.742 ( 0.000 -0.641 5.441) 5.479 3.849 ( 0.000 -0.660 -5.794) 5.832 4.173 ( -0.000 1.385 1.376) 1.952 4.216 ( -0.000 1.076 -3.183) 3.359 4.469 ( 0.000 -0.754 3.288) 3.373 4.521 ( -0.000 0.507 -2.278) 2.333 7.516 ( -0.000 0.070 7.331) 7.331 7.572 ( 0.000 -0.144 -0.238) 0.278 8.117 ( 0.000 -0.359 8.225) 8.233 8.185 ( 0.000 -0.920 -1.202) 1.514 8.191 ( 0.000 -0.906 -1.546) 1.792 8.273 ( 0.000 -0.257 -6.303) 6.308 9.202 ( -0.000 0.720 4.827) 4.880 9.209 ( -0.000 1.347 26.301) 26.336 9.335 ( -0.000 0.636 -9.480) 9.502 9.678 ( -0.000 2.282 -22.265) 22.381 10.637 ( -0.000 0.111 5.058) 5.059 10.640 ( 0.000 -2.232 4.211) 4.766 10.710 ( 0.000 -0.606 -2.849) 2.913 10.765 ( 0.000 -0.074 -8.960) 8.960 11.208 ( 0.000 -0.043 8.527) 8.527 11.393 ( -0.000 0.164 -10.633) 10.634 11.910 ( -0.000 0.182 4.886) 4.890 11.977 ( -0.000 2.820 20.591) 20.783 12.010 ( -0.000 0.437 -5.150) 5.169 12.255 ( -0.000 8.651 -5.434) 10.216 13.458 ( 0.000 -23.371 46.569) 52.105 13.785 ( 0.000 -0.270 13.287) 13.290 13.996 ( 0.000 -0.209 -9.450) 9.453 14.069 ( 0.000 -5.547 -2.300) 6.005 14.310 ( 0.000 -1.225 -5.807) 5.934 14.504 ( 0.000 -14.941 -36.886) 39.798 16.143 ( 0.000 -2.212 9.879) 10.124 16.292 ( 0.000 -1.066 -3.986) 4.126 16.337 ( -0.000 1.617 10.036) 10.165 16.621 ( -0.000 4.886 -18.413) 19.051 ======================= Grid point 260 (90/93) ======================= q-point: (-0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -3.054 -0.000 -1.556) 3.428 1.223 ( -0.131 -0.000 -1.738) 1.743 1.487 ( -1.780 -0.000 8.594) 8.776 1.538 ( -18.756 -0.000 1.698) 18.833 1.552 ( -13.956 -0.000 -2.179) 14.125 1.613 ( -2.925 -0.000 -3.679) 4.700 1.792 ( 2.147 0.000 10.905) 11.114 1.995 ( -2.315 -0.000 -0.550) 2.379 2.019 ( 1.592 0.000 5.119) 5.360 2.102 ( 2.529 0.000 -13.633) 13.866 2.246 ( -5.818 -0.000 -1.097) 5.920 2.257 ( -1.778 -0.000 -0.938) 2.011 2.360 ( 1.516 0.000 4.083) 4.356 2.439 ( 2.715 0.000 -4.290) 5.077 2.472 ( -2.361 -0.000 1.646) 2.879 2.512 ( 0.730 0.000 -2.107) 2.230 2.634 ( -0.151 -0.000 2.072) 2.078 2.669 ( 1.386 0.000 -1.328) 1.919 2.776 ( -0.204 -0.000 -0.539) 0.576 2.796 ( 1.839 0.000 -1.926) 2.663 2.925 ( 3.930 0.000 6.862) 7.908 3.011 ( 2.235 0.000 -0.616) 2.318 3.020 ( 3.133 0.000 1.621) 3.527 3.071 ( 6.451 0.000 -5.535) 8.500 3.611 ( 9.914 0.000 5.141) 11.168 3.705 ( 4.150 0.000 -4.982) 6.484 4.215 ( -0.371 -0.000 2.436) 2.464 4.282 ( 0.718 0.000 -4.588) 4.644 4.617 ( -8.089 -0.000 7.662) 11.142 4.737 ( -9.248 -0.000 -5.120) 10.571 7.918 ( -17.925 -0.000 12.487) 21.846 8.053 ( -18.376 -0.000 -2.510) 18.547 8.100 ( -2.301 -0.000 -0.408) 2.337 8.116 ( -1.656 -0.000 -2.377) 2.897 8.764 ( -26.431 -0.000 4.884) 26.878 8.849 ( -27.476 -0.000 -4.390) 27.824 9.036 ( 2.220 0.000 24.963) 25.062 9.521 ( 8.350 0.000 -21.565) 23.125 10.135 ( -19.090 -0.000 3.746) 19.454 10.229 ( -33.592 -0.000 -4.220) 33.856 10.677 ( -10.280 -0.000 2.164) 10.505 10.740 ( -5.379 -0.000 -2.919) 6.121 10.904 ( -10.641 -0.000 3.563) 11.222 11.029 ( -11.926 -0.000 -10.180) 15.680 11.373 ( -12.302 -0.000 13.524) 18.282 11.577 ( 1.005 0.000 8.911) 8.968 11.660 ( -6.030 -0.000 -11.268) 12.780 11.862 ( 4.298 0.000 -15.602) 16.183 12.068 ( 3.863 0.000 14.293) 14.806 12.330 ( 10.883 0.000 -12.937) 16.906 13.379 ( -17.180 -0.000 32.833) 37.057 13.858 ( -0.313 -0.000 -11.851) 11.855 13.936 ( -8.771 -0.000 19.327) 21.224 13.990 ( 9.929 0.000 -0.633) 9.949 14.111 ( 9.374 0.000 -8.387) 12.579 14.345 ( -9.198 -0.000 -26.322) 27.883 15.918 ( 9.453 0.000 10.474) 14.109 16.047 ( 15.014 0.000 6.545) 16.378 16.100 ( 9.674 0.000 0.099) 9.674 16.330 ( 16.225 0.000 -14.181) 21.549 ======================= Grid point 262 (91/93) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -17.474 2.517 3.396) 17.978 1.163 ( -4.797 4.681 -1.644) 6.901 1.222 ( -8.890 -0.939 -0.806) 8.975 1.281 ( -5.103 2.648 -6.096) 8.379 1.508 ( 0.475 -0.537 8.399) 8.429 1.605 ( 0.293 -0.377 -2.572) 2.616 1.839 ( 2.126 -1.161 12.044) 12.285 1.926 ( -4.568 -1.009 8.661) 9.844 2.040 ( 1.072 0.127 5.485) 5.590 2.139 ( -3.593 0.502 -5.765) 6.812 2.156 ( 0.698 -0.928 -14.622) 14.668 2.243 ( -0.046 0.274 -6.406) 6.413 2.388 ( 1.473 0.114 4.503) 4.739 2.448 ( -0.244 0.504 4.906) 4.938 2.478 ( 1.292 -0.081 -4.756) 4.929 2.550 ( 2.602 0.225 -4.934) 5.583 2.632 ( -0.581 -1.812 2.386) 3.052 2.688 ( 0.398 -1.043 -3.015) 3.215 2.771 ( -0.288 -0.187 1.902) 1.932 2.818 ( 0.785 0.190 -2.627) 2.748 2.985 ( 2.552 1.661 5.570) 6.348 3.050 ( 2.057 0.399 -1.811) 2.769 3.101 ( 4.586 -2.037 4.534) 6.763 3.208 ( 6.885 -0.481 -6.401) 9.413 3.742 ( -0.039 -0.062 1.843) 1.845 3.769 ( 6.780 -0.125 -0.957) 6.848 4.207 ( -0.382 0.490 1.952) 2.049 4.275 ( -1.903 0.308 -5.438) 5.770 4.494 ( -4.676 -0.204 5.379) 7.130 4.580 ( -6.300 0.291 -3.562) 7.243 7.634 ( -12.090 0.034 9.028) 15.089 7.716 ( -15.068 -0.054 -1.098) 15.108 8.106 ( 0.364 -0.171 -0.197) 0.447 8.121 ( 2.976 -0.126 -1.386) 3.285 8.328 ( -17.540 -0.119 5.028) 18.246 8.440 ( -16.512 -0.175 -5.344) 17.356 9.127 ( 5.096 0.182 25.802) 26.301 9.580 ( -30.958 0.308 4.730) 31.319 9.598 ( -13.141 -0.075 -21.777) 25.435 9.707 ( -9.070 0.666 -8.682) 12.573 10.597 ( -0.448 -0.521 5.910) 5.950 10.696 ( -1.856 -0.212 -0.345) 1.899 10.724 ( -6.900 0.130 1.146) 6.996 10.842 ( -7.918 -0.006 -8.851) 11.876 11.240 ( -3.841 -0.025 9.928) 10.645 11.457 ( -6.638 -0.005 -12.112) 13.812 11.758 ( 9.964 -0.218 10.441) 14.434 11.961 ( 5.406 0.149 -9.589) 11.008 12.098 ( -2.054 1.563 19.020) 19.194 12.439 ( 3.003 4.725 -16.536) 17.458 13.150 ( -9.718 -7.995 48.454) 50.061 13.818 ( -4.197 -0.122 14.847) 15.430 13.887 ( 2.311 -2.850 -19.497) 19.840 14.055 ( -3.001 -0.335 -4.319) 5.270 14.249 ( 5.052 0.476 -8.550) 9.943 14.286 ( 1.506 -3.354 -24.191) 24.469 16.055 ( 5.015 -0.792 10.432) 11.602 16.215 ( 4.902 -0.770 -7.047) 8.618 16.291 ( 8.986 0.757 14.328) 16.929 16.585 ( 11.081 1.187 -17.072) 20.387 ======================= Grid point 263 (92/93) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.000 3.474 7.063) 7.871 1.027 ( -0.000 1.250 -9.427) 9.509 1.140 ( -0.000 6.957 4.348) 8.203 1.237 ( -0.000 5.070 -6.666) 8.375 1.512 ( -0.000 0.652 8.896) 8.919 1.611 ( -0.000 0.038 -2.519) 2.519 1.873 ( 0.000 -1.509 12.648) 12.737 1.888 ( 0.000 -2.036 11.325) 11.507 2.056 ( -0.000 1.193 11.087) 11.151 2.084 ( 0.000 -1.479 -9.874) 9.985 2.178 ( 0.000 -0.264 -17.538) 17.540 2.242 ( -0.000 0.221 -8.594) 8.597 2.403 ( -0.000 0.265 4.045) 4.054 2.439 ( -0.000 0.922 7.302) 7.360 2.489 ( -0.000 0.665 -5.061) 5.105 2.574 ( -0.000 1.026 -6.608) 6.687 2.648 ( 0.000 -4.163 2.925) 5.088 2.715 ( 0.000 -3.966 -3.709) 5.431 2.766 ( -0.000 0.589 3.180) 3.234 2.823 ( -0.000 0.463 -2.741) 2.780 2.991 ( -0.000 2.286 4.975) 5.476 3.067 ( -0.000 0.848 -3.012) 3.129 3.177 ( 0.000 -3.618 4.798) 6.009 3.281 ( 0.000 -0.309 -5.714) 5.723 3.734 ( 0.000 -0.398 5.433) 5.448 3.840 ( 0.000 -0.406 -5.780) 5.794 4.195 ( -0.000 1.210 0.869) 1.489 4.234 ( -0.000 1.039 -3.451) 3.604 4.457 ( 0.000 -0.641 4.144) 4.194 4.526 ( -0.000 0.128 -3.119) 3.122 7.517 ( -0.000 0.043 7.122) 7.122 7.570 ( 0.000 -0.093 -0.150) 0.176 8.112 ( 0.000 -0.219 8.382) 8.385 8.173 ( 0.000 -0.518 -1.292) 1.392 8.180 ( 0.000 -0.486 -1.704) 1.772 8.270 ( 0.000 -0.158 -6.283) 6.285 9.212 ( -0.000 0.445 4.726) 4.747 9.228 ( -0.000 0.890 27.073) 27.087 9.343 ( -0.000 0.392 -9.459) 9.467 9.711 ( -0.000 1.570 -22.617) 22.671 10.610 ( 0.000 -1.360 5.597) 5.759 10.638 ( -0.000 0.070 4.953) 4.954 10.701 ( 0.000 -0.417 -3.466) 3.491 10.764 ( 0.000 -0.045 -8.800) 8.800 11.207 ( 0.000 -0.025 8.620) 8.620 11.395 ( -0.000 0.101 -10.849) 10.849 11.912 ( -0.000 0.114 5.107) 5.108 12.007 ( -0.000 1.047 25.040) 25.062 12.016 ( -0.000 0.269 -5.302) 5.308 12.400 ( -0.000 8.511 -13.265) 15.760 13.157 ( 0.000 -14.245 49.012) 51.040 13.781 ( 0.000 -0.168 13.345) 13.346 13.969 ( 0.000 -5.879 -18.447) 19.361 13.993 ( 0.000 -0.130 -9.484) 9.485 14.296 ( 0.000 -0.497 -8.558) 8.573 14.345 ( 0.000 -5.481 -22.449) 23.108 16.111 ( 0.000 -1.581 10.230) 10.352 16.268 ( 0.000 -1.338 -6.834) 6.964 16.367 ( -0.000 1.472 14.498) 14.573 16.678 ( -0.000 2.282 -18.795) 18.933 ======================= Grid point 273 (93/93) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.000 0.000 5.992) 5.992 1.037 ( -0.000 0.000 -8.374) 8.374 1.200 ( -0.000 0.000 2.948) 2.948 1.278 ( -0.000 0.000 -6.117) 6.117 1.518 ( -0.000 0.000 8.143) 8.143 1.613 ( -0.000 0.000 -2.648) 2.648 1.858 ( -0.000 0.000 13.145) 13.145 1.872 ( -0.000 0.000 11.392) 11.392 2.067 ( -0.000 0.000 11.418) 11.418 2.071 ( -0.000 0.000 -10.275) 10.275 2.174 ( -0.000 0.000 -18.641) 18.641 2.244 ( -0.000 0.000 -7.627) 7.627 2.405 ( -0.000 0.000 4.046) 4.046 2.447 ( -0.000 0.000 7.499) 7.499 2.492 ( -0.000 0.000 -5.105) 5.105 2.582 ( -0.000 0.000 -6.493) 6.493 2.617 ( -0.000 0.000 2.386) 2.386 2.680 ( -0.000 0.000 -3.856) 3.856 2.771 ( -0.000 0.000 3.051) 3.051 2.826 ( -0.000 0.000 -2.711) 2.711 3.015 ( -0.000 0.000 4.791) 4.791 3.072 ( -0.000 0.000 -2.358) 2.358 3.143 ( -0.000 0.000 6.830) 6.830 3.278 ( -0.000 0.000 -7.003) 7.003 3.730 ( -0.000 0.000 5.432) 5.432 3.836 ( -0.000 0.000 -5.775) 5.775 4.206 ( -0.000 0.000 0.703) 0.703 4.243 ( -0.000 0.000 -3.539) 3.539 4.451 ( -0.000 0.000 4.460) 4.460 4.527 ( -0.000 0.000 -3.446) 3.446 7.517 ( -0.000 0.000 7.041) 7.041 7.569 ( -0.000 0.000 -0.115) 0.115 8.110 ( -0.000 0.000 8.442) 8.442 8.169 ( -0.000 0.000 -1.322) 1.322 8.176 ( -0.000 0.000 -1.758) 1.758 8.269 ( -0.000 0.000 -6.274) 6.274 9.215 ( -0.000 0.000 4.688) 4.688 9.235 ( -0.000 0.000 27.374) 27.374 9.347 ( -0.000 0.000 -9.451) 9.451 9.724 ( -0.000 0.000 -22.815) 22.815 10.599 ( -0.000 0.000 6.067) 6.067 10.639 ( -0.000 0.000 4.913) 4.913 10.698 ( -0.000 0.000 -3.695) 3.695 10.764 ( -0.000 0.000 -8.739) 8.739 11.207 ( -0.000 0.000 8.655) 8.655 11.396 ( -0.000 0.000 -10.931) 10.931 11.913 ( -0.000 0.000 5.190) 5.190 12.014 ( -0.000 0.000 26.886) 26.886 12.018 ( -0.000 0.000 -5.359) 5.359 12.482 ( -0.000 0.000 -22.552) 22.552 13.031 ( -0.000 0.000 55.683) 55.683 13.780 ( -0.000 0.000 13.367) 13.367 13.917 ( -0.000 0.000 -25.302) 25.302 13.992 ( -0.000 0.000 -9.497) 9.497 14.295 ( -0.000 0.000 -18.947) 18.947 14.302 ( -0.000 0.000 -6.404) 6.404 16.098 ( -0.000 0.000 10.379) 10.379 16.256 ( -0.000 0.000 -6.970) 6.970 16.379 ( -0.000 0.000 15.077) 15.077 16.696 ( -0.000 0.000 -18.849) 18.849 =================== 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 3/30000 10.0 358.733 260.029 383.356 0.000 0.000 -0.000 3/30000 20.0 71.945 28.264 61.159 0.000 0.000 -0.000 3/30000 30.0 35.049 10.816 30.060 0.000 0.000 -0.000 3/30000 40.0 23.703 6.489 20.840 0.000 0.000 -0.000 3/30000 50.0 18.301 4.678 16.275 0.000 0.000 -0.000 3/30000 60.0 15.073 3.687 13.438 0.000 0.000 -0.000 3/30000 70.0 12.870 3.054 11.453 0.000 0.000 -0.000 3/30000 80.0 11.241 2.609 9.963 0.000 0.000 -0.000 3/30000 90.0 9.977 2.278 8.799 0.000 0.000 -0.000 3/30000 100.0 8.966 2.022 7.863 0.000 0.000 -0.000 3/30000 110.0 8.140 1.818 7.098 0.000 0.000 -0.000 3/30000 120.0 7.452 1.652 6.463 0.000 0.000 -0.000 3/30000 130.0 6.874 1.514 5.930 0.000 0.000 -0.000 3/30000 140.0 6.380 1.399 5.477 0.000 0.000 -0.000 3/30000 150.0 5.954 1.300 5.087 0.000 0.000 -0.000 3/30000 160.0 5.582 1.216 4.750 0.000 0.000 -0.000 3/30000 170.0 5.256 1.142 4.456 0.000 0.000 -0.000 3/30000 180.0 4.967 1.077 4.196 0.000 0.000 -0.000 3/30000 190.0 4.710 1.020 3.966 0.000 0.000 -0.000 3/30000 200.0 4.478 0.969 3.761 0.000 0.000 0.000 3/30000 210.0 4.269 0.923 3.576 0.000 0.000 0.000 3/30000 220.0 4.079 0.881 3.409 0.000 0.000 0.000 3/30000 230.0 3.905 0.843 3.257 0.000 0.000 0.000 3/30000 240.0 3.746 0.809 3.119 0.000 0.000 0.000 3/30000 250.0 3.600 0.777 2.992 0.000 0.000 0.000 3/30000 260.0 3.465 0.748 2.876 0.000 0.000 0.000 3/30000 270.0 3.340 0.721 2.768 0.000 0.000 0.000 3/30000 280.0 3.224 0.696 2.668 0.000 0.000 0.000 3/30000 290.0 3.115 0.672 2.576 0.000 0.000 0.000 3/30000 300.0 3.014 0.650 2.489 0.000 0.000 0.000 3/30000 310.0 2.919 0.630 2.409 0.000 0.000 0.000 3/30000 320.0 2.830 0.611 2.333 0.000 0.000 0.000 3/30000 330.0 2.747 0.593 2.262 0.000 0.000 0.000 3/30000 340.0 2.668 0.576 2.196 0.000 0.000 0.000 3/30000 350.0 2.593 0.560 2.133 0.000 0.000 0.000 3/30000 360.0 2.523 0.545 2.074 0.000 0.000 0.000 3/30000 370.0 2.456 0.530 2.018 0.000 0.000 0.000 3/30000 380.0 2.393 0.517 1.965 0.000 0.000 0.000 3/30000 390.0 2.333 0.504 1.915 0.000 0.000 0.000 3/30000 400.0 2.276 0.492 1.867 0.000 0.000 0.000 3/30000 410.0 2.222 0.480 1.822 0.000 0.000 0.000 3/30000 420.0 2.170 0.469 1.778 0.000 0.000 0.000 3/30000 430.0 2.121 0.458 1.737 0.000 0.000 0.000 3/30000 440.0 2.073 0.448 1.698 0.000 0.000 0.000 3/30000 450.0 2.028 0.438 1.660 0.000 0.000 0.000 3/30000 460.0 1.985 0.429 1.625 0.000 0.000 0.000 3/30000 470.0 1.943 0.420 1.590 0.000 0.000 0.000 3/30000 480.0 1.904 0.412 1.557 0.000 0.000 0.000 3/30000 490.0 1.865 0.403 1.526 0.000 0.000 0.000 3/30000 500.0 1.829 0.395 1.495 0.000 0.000 0.000 3/30000 510.0 1.794 0.388 1.466 0.000 0.000 0.000 3/30000 520.0 1.760 0.381 1.438 0.000 0.000 0.000 3/30000 530.0 1.727 0.374 1.411 0.000 0.000 0.000 3/30000 540.0 1.695 0.367 1.385 0.000 0.000 0.000 3/30000 550.0 1.665 0.360 1.360 0.000 0.000 0.000 3/30000 560.0 1.636 0.354 1.336 0.000 0.000 0.000 3/30000 570.0 1.608 0.348 1.313 0.000 0.000 0.000 3/30000 580.0 1.580 0.342 1.290 0.000 0.000 0.000 3/30000 590.0 1.554 0.336 1.268 0.000 0.000 0.000 3/30000 600.0 1.528 0.331 1.247 0.000 0.000 0.000 3/30000 610.0 1.504 0.325 1.227 0.000 0.000 0.000 3/30000 620.0 1.480 0.320 1.207 0.000 0.000 0.000 3/30000 630.0 1.456 0.315 1.188 0.000 0.000 0.000 3/30000 640.0 1.434 0.310 1.170 0.000 0.000 0.000 3/30000 650.0 1.412 0.306 1.152 0.000 0.000 0.000 3/30000 660.0 1.391 0.301 1.134 0.000 0.000 0.000 3/30000 670.0 1.371 0.297 1.118 0.000 0.000 0.000 3/30000 680.0 1.351 0.292 1.101 0.000 0.000 0.000 3/30000 690.0 1.331 0.288 1.085 0.000 0.000 0.000 3/30000 700.0 1.312 0.284 1.070 0.000 0.000 0.000 3/30000 710.0 1.294 0.280 1.055 0.000 0.000 0.000 3/30000 720.0 1.276 0.276 1.040 0.000 0.000 0.000 3/30000 730.0 1.259 0.273 1.026 0.000 0.000 0.000 3/30000 740.0 1.242 0.269 1.012 0.000 0.000 0.000 3/30000 750.0 1.226 0.265 0.999 0.000 0.000 0.000 3/30000 760.0 1.210 0.262 0.986 0.000 0.000 0.000 3/30000 770.0 1.194 0.259 0.973 0.000 0.000 0.000 3/30000 780.0 1.179 0.255 0.961 0.000 0.000 0.000 3/30000 790.0 1.164 0.252 0.949 0.000 0.000 0.000 3/30000 800.0 1.150 0.249 0.937 0.000 0.000 0.000 3/30000 810.0 1.136 0.246 0.925 0.000 0.000 0.000 3/30000 820.0 1.122 0.243 0.914 0.000 0.000 0.000 3/30000 830.0 1.109 0.240 0.903 0.000 0.000 0.000 3/30000 840.0 1.096 0.237 0.892 0.000 0.000 0.000 3/30000 850.0 1.083 0.234 0.882 0.000 0.000 0.000 3/30000 860.0 1.070 0.232 0.872 0.000 0.000 0.000 3/30000 870.0 1.058 0.229 0.862 0.000 0.000 0.000 3/30000 880.0 1.046 0.227 0.852 0.000 0.000 0.000 3/30000 890.0 1.035 0.224 0.843 0.000 0.000 0.000 3/30000 900.0 1.023 0.222 0.833 0.000 0.000 0.000 3/30000 910.0 1.012 0.219 0.824 0.000 0.000 0.000 3/30000 920.0 1.001 0.217 0.815 0.000 0.000 0.000 3/30000 930.0 0.991 0.214 0.806 0.000 0.000 0.000 3/30000 940.0 0.980 0.212 0.798 0.000 0.000 0.000 3/30000 950.0 0.970 0.210 0.790 0.000 0.000 0.000 3/30000 960.0 0.960 0.208 0.781 0.000 0.000 0.000 3/30000 970.0 0.950 0.206 0.773 0.000 0.000 0.000 3/30000 980.0 0.940 0.204 0.766 0.000 0.000 0.000 3/30000 990.0 0.931 0.202 0.758 0.000 0.000 0.000 3/30000 1000.0 0.922 0.200 0.750 0.000 0.000 0.000 3/30000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:49:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|