----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.689358889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.871271540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.388571560000000 Atomic positions (fractional): *1 O 0.30596920262418 0.56869321853958 0.69110489808954 15.999 2 O 0.19403079737582 0.43130678146042 0.19110489808954 15.999 3 O 0.80596920262418 0.93130678146042 0.80889510191046 15.999 4 O 0.69403079737582 0.06869321853958 0.30889510191046 15.999 5 O 0.69403079737582 0.43130678146042 0.30889510191046 15.999 6 O 0.80596920262418 0.56869321853958 0.80889510191046 15.999 7 O 0.19403079737582 0.06869321853958 0.19110489808954 15.999 8 O 0.30596920262418 0.93130678146042 0.69110489808954 15.999 *9 O 0.55678390776803 0.25000000000000 0.86880673540225 15.999 10 O 0.94321609223197 0.75000000000000 0.36880673540225 15.999 11 O 0.05678390776803 0.25000000000000 0.63119326459775 15.999 12 O 0.44321609223197 0.75000000000000 0.13119326459775 15.999 *13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 *17 Dy 0.06409941186657 0.75000000000000 0.97893163282364 162.500 18 Dy 0.43590058813343 0.25000000000000 0.47893163282364 162.500 19 Dy 0.56409941186657 0.75000000000000 0.52106836717636 162.500 20 Dy 0.93590058813343 0.25000000000000 0.02106836717636 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.689358889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.871271540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.388571560000000 Atomic positions (fractional): *1 O 0.30596920262418 0.56869321853958 0.69110489808954 15.999 > 1 2 O 0.19403079737582 0.43130678146042 0.19110489808954 15.999 > 2 3 O 0.80596920262418 0.93130678146042 0.80889510191046 15.999 > 3 4 O 0.69403079737582 0.06869321853958 0.30889510191046 15.999 > 4 5 O 0.69403079737582 0.43130678146042 0.30889510191046 15.999 > 5 6 O 0.80596920262418 0.56869321853958 0.80889510191046 15.999 > 6 7 O 0.19403079737582 0.06869321853958 0.19110489808954 15.999 > 7 8 O 0.30596920262418 0.93130678146042 0.69110489808954 15.999 > 8 *9 O 0.55678390776803 0.25000000000000 0.86880673540225 15.999 > 9 10 O 0.94321609223197 0.75000000000000 0.36880673540225 15.999 > 10 11 O 0.05678390776803 0.25000000000000 0.63119326459775 15.999 > 11 12 O 0.44321609223197 0.75000000000000 0.13119326459775 15.999 > 12 *13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 13 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 14 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 15 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 16 *17 Dy 0.06409941186657 0.75000000000000 0.97893163282364 162.500 > 17 18 Dy 0.43590058813343 0.25000000000000 0.47893163282364 162.500 > 18 19 Dy 0.56409941186657 0.75000000000000 0.52106836717636 162.500 > 19 20 Dy 0.93590058813343 0.25000000000000 0.02106836717636 162.500 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.378717779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.871271540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.777143120000000 Atomic positions (fractional): *1 O 0.15298460131209 0.56869321853958 0.34555244904477 15.999 > 1 2 O 0.65298460131209 0.56869321853958 0.34555244904477 15.999 > 1 3 O 0.15298460131209 0.56869321853958 0.84555244904477 15.999 > 1 4 O 0.65298460131209 0.56869321853958 0.84555244904477 15.999 > 1 5 O 0.09701539868791 0.43130678146042 0.09555244904477 15.999 > 2 6 O 0.59701539868791 0.43130678146042 0.09555244904477 15.999 > 2 7 O 0.09701539868791 0.43130678146042 0.59555244904477 15.999 > 2 8 O 0.59701539868791 0.43130678146042 0.59555244904477 15.999 > 2 9 O 0.40298460131209 0.93130678146042 0.40444755095523 15.999 > 3 10 O 0.90298460131209 0.93130678146042 0.40444755095523 15.999 > 3 11 O 0.40298460131209 0.93130678146042 0.90444755095523 15.999 > 3 12 O 0.90298460131209 0.93130678146042 0.90444755095523 15.999 > 3 13 O 0.34701539868791 0.06869321853958 0.15444755095523 15.999 > 4 14 O 0.84701539868791 0.06869321853958 0.15444755095523 15.999 > 4 15 O 0.34701539868791 0.06869321853958 0.65444755095523 15.999 > 4 16 O 0.84701539868791 0.06869321853958 0.65444755095523 15.999 > 4 17 O 0.34701539868791 0.43130678146042 0.15444755095523 15.999 > 5 18 O 0.84701539868791 0.43130678146042 0.15444755095523 15.999 > 5 19 O 0.34701539868791 0.43130678146042 0.65444755095523 15.999 > 5 20 O 0.84701539868791 0.43130678146042 0.65444755095523 15.999 > 5 21 O 0.40298460131209 0.56869321853958 0.40444755095523 15.999 > 6 22 O 0.90298460131209 0.56869321853958 0.40444755095523 15.999 > 6 23 O 0.40298460131209 0.56869321853958 0.90444755095523 15.999 > 6 24 O 0.90298460131209 0.56869321853958 0.90444755095523 15.999 > 6 25 O 0.09701539868791 0.06869321853958 0.09555244904477 15.999 > 7 26 O 0.59701539868791 0.06869321853958 0.09555244904477 15.999 > 7 27 O 0.09701539868791 0.06869321853958 0.59555244904477 15.999 > 7 28 O 0.59701539868791 0.06869321853958 0.59555244904477 15.999 > 7 29 O 0.15298460131209 0.93130678146042 0.34555244904477 15.999 > 8 30 O 0.65298460131209 0.93130678146042 0.34555244904477 15.999 > 8 31 O 0.15298460131209 0.93130678146042 0.84555244904477 15.999 > 8 32 O 0.65298460131209 0.93130678146042 0.84555244904477 15.999 > 8 *33 O 0.27839195388401 0.25000000000000 0.43440336770112 15.999 > 9 34 O 0.77839195388401 0.25000000000000 0.43440336770112 15.999 > 9 35 O 0.27839195388401 0.25000000000000 0.93440336770112 15.999 > 9 36 O 0.77839195388401 0.25000000000000 0.93440336770112 15.999 > 9 37 O 0.47160804611599 0.75000000000000 0.18440336770113 15.999 > 10 38 O 0.97160804611599 0.75000000000000 0.18440336770113 15.999 > 10 39 O 0.47160804611599 0.75000000000000 0.68440336770112 15.999 > 10 40 O 0.97160804611599 0.75000000000000 0.68440336770112 15.999 > 10 41 O 0.02839195388401 0.25000000000000 0.31559663229888 15.999 > 11 42 O 0.52839195388401 0.25000000000000 0.31559663229888 15.999 > 11 43 O 0.02839195388401 0.25000000000000 0.81559663229888 15.999 > 11 44 O 0.52839195388401 0.25000000000000 0.81559663229888 15.999 > 11 45 O 0.22160804611599 0.75000000000000 0.06559663229887 15.999 > 12 46 O 0.72160804611599 0.75000000000000 0.06559663229887 15.999 > 12 47 O 0.22160804611599 0.75000000000000 0.56559663229888 15.999 > 12 48 O 0.72160804611599 0.75000000000000 0.56559663229888 15.999 > 12 *49 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 13 50 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 13 51 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 13 52 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 13 53 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 14 54 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 14 55 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 14 56 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 14 57 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 15 58 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 15 59 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 15 60 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 15 61 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 16 62 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 16 63 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 16 64 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 16 *65 Dy 0.03204970593328 0.75000000000000 0.48946581641182 162.500 > 17 66 Dy 0.53204970593328 0.75000000000000 0.48946581641182 162.500 > 17 67 Dy 0.03204970593328 0.75000000000000 0.98946581641182 162.500 > 17 68 Dy 0.53204970593328 0.75000000000000 0.98946581641182 162.500 > 17 69 Dy 0.21795029406672 0.25000000000000 0.23946581641182 162.500 > 18 70 Dy 0.71795029406672 0.25000000000000 0.23946581641182 162.500 > 18 71 Dy 0.21795029406672 0.25000000000000 0.73946581641182 162.500 > 18 72 Dy 0.71795029406672 0.25000000000000 0.73946581641182 162.500 > 18 73 Dy 0.28204970593328 0.75000000000000 0.26053418358818 162.500 > 19 74 Dy 0.78204970593328 0.75000000000000 0.26053418358818 162.500 > 19 75 Dy 0.28204970593328 0.75000000000000 0.76053418358818 162.500 > 19 76 Dy 0.78204970593328 0.75000000000000 0.76053418358818 162.500 > 19 77 Dy 0.46795029406672 0.25000000000000 0.01053418358818 162.500 > 20 78 Dy 0.96795029406672 0.25000000000000 0.01053418358818 162.500 > 20 79 Dy 0.46795029406672 0.25000000000000 0.51053418358818 162.500 > 20 80 Dy 0.96795029406672 0.25000000000000 0.51053418358818 162.500 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8697558 0.0000000 0.0000000 0.0000000 4.6029185 0.0000000 0.0000000 0.0000000 4.8754985 -------------------------- Born effective charges -------------------------- 1 O -2.9712810 -0.2222581 -0.4314227 -0.2389789 -2.1670424 0.0372405 -0.4046406 -0.0078297 -2.7010353 2 O -2.9712810 -0.2222581 0.4314227 -0.2389789 -2.1670424 -0.0372405 0.4046406 0.0078297 -2.7010353 3 O -2.9712810 0.2222581 0.4314227 0.2389789 -2.1670424 0.0372405 0.4046406 -0.0078297 -2.7010353 4 O -2.9712810 0.2222581 -0.4314227 0.2389789 -2.1670424 -0.0372405 -0.4046406 0.0078297 -2.7010353 5 O -2.9712810 -0.2222581 -0.4314227 -0.2389789 -2.1670424 0.0372405 -0.4046406 -0.0078297 -2.7010353 6 O -2.9712810 -0.2222581 0.4314227 -0.2389789 -2.1670424 -0.0372405 0.4046406 0.0078297 -2.7010353 7 O -2.9712810 0.2222581 0.4314227 0.2389789 -2.1670424 0.0372405 0.4046406 -0.0078297 -2.7010353 8 O -2.9712810 0.2222581 -0.4314227 0.2389789 -2.1670424 -0.0372405 -0.4046406 0.0078297 -2.7010353 9 O -2.2002936 0.0000000 -0.4765693 0.0000000 -3.0068276 0.0000000 -0.4242697 0.0000000 -2.6759173 10 O -2.2002936 0.0000000 0.4765693 0.0000000 -3.0068276 0.0000000 0.4242697 0.0000000 -2.6759173 11 O -2.2002936 0.0000000 0.4765693 0.0000000 -3.0068276 0.0000000 0.4242697 0.0000000 -2.6759173 12 O -2.2002936 0.0000000 -0.4765693 0.0000000 -3.0068276 0.0000000 -0.4242697 0.0000000 -2.6759173 13 Sc 4.1377959 -0.1116939 -0.0877236 -0.1541013 3.9214861 -0.0558567 -0.1956796 -0.2591818 4.0588190 14 Sc 4.1377959 -0.1116939 0.0877236 -0.1541013 3.9214861 0.0558567 0.1956796 0.2591818 4.0588190 15 Sc 4.1377959 0.1116939 0.0877236 0.1541013 3.9214861 -0.0558567 0.1956796 -0.2591818 4.0588190 16 Sc 4.1377959 0.1116939 -0.0877236 0.1541013 3.9214861 0.0558567 -0.1956796 0.2591818 4.0588190 17 Dy 4.0050597 0.0000000 0.1261170 0.0000000 3.4194262 0.0000000 0.2357556 0.0000000 4.0191689 18 Dy 4.0050597 0.0000000 -0.1261170 0.0000000 3.4194262 0.0000000 -0.2357556 0.0000000 4.0191689 19 Dy 4.0050597 0.0000000 -0.1261170 0.0000000 3.4194262 0.0000000 -0.2357556 0.0000000 4.0191689 20 Dy 4.0050597 0.0000000 0.1261170 0.0000000 3.4194262 0.0000000 0.2357556 0.0000000 4.0191689 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.718 Solver_block: 200 / 320 - Time: 0.726 Solver_block: 300 / 320 - Time: 0.726 Solver_block: 320 / 320 - Time: 0.184 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.371 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:01:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:01:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.689358889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.871271540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.388571560000000 Atomic positions (fractional): 1 O 0.30596920262418 0.56869321853958 0.69110489808954 15.999 2 O 0.19403079737582 0.43130678146042 0.19110489808954 15.999 3 O 0.80596920262418 0.93130678146042 0.80889510191046 15.999 4 O 0.69403079737582 0.06869321853958 0.30889510191046 15.999 5 O 0.69403079737582 0.43130678146042 0.30889510191046 15.999 6 O 0.80596920262418 0.56869321853958 0.80889510191046 15.999 7 O 0.19403079737582 0.06869321853958 0.19110489808954 15.999 8 O 0.30596920262418 0.93130678146042 0.69110489808954 15.999 9 O 0.55678390776803 0.25000000000000 0.86880673540225 15.999 10 O 0.94321609223197 0.75000000000000 0.36880673540225 15.999 11 O 0.05678390776803 0.25000000000000 0.63119326459775 15.999 12 O 0.44321609223197 0.75000000000000 0.13119326459775 15.999 13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 17 Dy 0.06409941186657 0.75000000000000 0.97893163282364 162.500 18 Dy 0.43590058813343 0.25000000000000 0.47893163282364 162.500 19 Dy 0.56409941186657 0.75000000000000 0.52106836717636 162.500 20 Dy 0.93590058813343 0.25000000000000 0.02106836717636 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.378717779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.871271540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.777143120000000 Atomic positions (fractional): 1 O 0.15298460131209 0.56869321853958 0.34555244904477 15.999 > 1 2 O 0.65298460131209 0.56869321853958 0.34555244904477 15.999 > 1 3 O 0.15298460131209 0.56869321853958 0.84555244904477 15.999 > 1 4 O 0.65298460131209 0.56869321853958 0.84555244904477 15.999 > 1 5 O 0.09701539868791 0.43130678146042 0.09555244904477 15.999 > 5 6 O 0.59701539868791 0.43130678146042 0.09555244904477 15.999 > 5 7 O 0.09701539868791 0.43130678146042 0.59555244904477 15.999 > 5 8 O 0.59701539868791 0.43130678146042 0.59555244904477 15.999 > 5 9 O 0.40298460131209 0.93130678146042 0.40444755095523 15.999 > 9 10 O 0.90298460131209 0.93130678146042 0.40444755095523 15.999 > 9 11 O 0.40298460131209 0.93130678146042 0.90444755095523 15.999 > 9 12 O 0.90298460131209 0.93130678146042 0.90444755095523 15.999 > 9 13 O 0.34701539868791 0.06869321853958 0.15444755095523 15.999 > 13 14 O 0.84701539868791 0.06869321853958 0.15444755095523 15.999 > 13 15 O 0.34701539868791 0.06869321853958 0.65444755095523 15.999 > 13 16 O 0.84701539868791 0.06869321853958 0.65444755095523 15.999 > 13 17 O 0.34701539868791 0.43130678146042 0.15444755095523 15.999 > 17 18 O 0.84701539868791 0.43130678146042 0.15444755095523 15.999 > 17 19 O 0.34701539868791 0.43130678146042 0.65444755095523 15.999 > 17 20 O 0.84701539868791 0.43130678146042 0.65444755095523 15.999 > 17 21 O 0.40298460131209 0.56869321853958 0.40444755095523 15.999 > 21 22 O 0.90298460131209 0.56869321853958 0.40444755095523 15.999 > 21 23 O 0.40298460131209 0.56869321853958 0.90444755095523 15.999 > 21 24 O 0.90298460131209 0.56869321853958 0.90444755095523 15.999 > 21 25 O 0.09701539868791 0.06869321853958 0.09555244904477 15.999 > 25 26 O 0.59701539868791 0.06869321853958 0.09555244904477 15.999 > 25 27 O 0.09701539868791 0.06869321853958 0.59555244904477 15.999 > 25 28 O 0.59701539868791 0.06869321853958 0.59555244904477 15.999 > 25 29 O 0.15298460131209 0.93130678146042 0.34555244904477 15.999 > 29 30 O 0.65298460131209 0.93130678146042 0.34555244904477 15.999 > 29 31 O 0.15298460131209 0.93130678146042 0.84555244904477 15.999 > 29 32 O 0.65298460131209 0.93130678146042 0.84555244904477 15.999 > 29 33 O 0.27839195388401 0.25000000000000 0.43440336770112 15.999 > 33 34 O 0.77839195388401 0.25000000000000 0.43440336770112 15.999 > 33 35 O 0.27839195388401 0.25000000000000 0.93440336770112 15.999 > 33 36 O 0.77839195388401 0.25000000000000 0.93440336770112 15.999 > 33 37 O 0.47160804611599 0.75000000000000 0.18440336770113 15.999 > 37 38 O 0.97160804611599 0.75000000000000 0.18440336770113 15.999 > 37 39 O 0.47160804611599 0.75000000000000 0.68440336770112 15.999 > 37 40 O 0.97160804611599 0.75000000000000 0.68440336770112 15.999 > 37 41 O 0.02839195388401 0.25000000000000 0.31559663229888 15.999 > 41 42 O 0.52839195388401 0.25000000000000 0.31559663229888 15.999 > 41 43 O 0.02839195388401 0.25000000000000 0.81559663229888 15.999 > 41 44 O 0.52839195388401 0.25000000000000 0.81559663229888 15.999 > 41 45 O 0.22160804611599 0.75000000000000 0.06559663229887 15.999 > 45 46 O 0.72160804611599 0.75000000000000 0.06559663229887 15.999 > 45 47 O 0.22160804611599 0.75000000000000 0.56559663229888 15.999 > 45 48 O 0.72160804611599 0.75000000000000 0.56559663229888 15.999 > 45 49 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 49 50 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 49 51 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 49 52 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 49 53 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 53 54 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 53 55 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 53 56 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 53 57 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 57 58 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 57 59 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 57 60 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 57 61 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 61 62 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 61 63 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 61 64 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 61 65 Dy 0.03204970593328 0.75000000000000 0.48946581641182 162.500 > 65 66 Dy 0.53204970593328 0.75000000000000 0.48946581641182 162.500 > 65 67 Dy 0.03204970593328 0.75000000000000 0.98946581641182 162.500 > 65 68 Dy 0.53204970593328 0.75000000000000 0.98946581641182 162.500 > 65 69 Dy 0.21795029406672 0.25000000000000 0.23946581641182 162.500 > 69 70 Dy 0.71795029406672 0.25000000000000 0.23946581641182 162.500 > 69 71 Dy 0.21795029406672 0.25000000000000 0.73946581641182 162.500 > 69 72 Dy 0.71795029406672 0.25000000000000 0.73946581641182 162.500 > 69 73 Dy 0.28204970593328 0.75000000000000 0.26053418358818 162.500 > 73 74 Dy 0.78204970593328 0.75000000000000 0.26053418358818 162.500 > 73 75 Dy 0.28204970593328 0.75000000000000 0.76053418358818 162.500 > 73 76 Dy 0.78204970593328 0.75000000000000 0.76053418358818 162.500 > 73 77 Dy 0.46795029406672 0.25000000000000 0.01053418358818 162.500 > 77 78 Dy 0.96795029406672 0.25000000000000 0.01053418358818 162.500 > 77 79 Dy 0.46795029406672 0.25000000000000 0.51053418358818 162.500 > 77 80 Dy 0.96795029406672 0.25000000000000 0.51053418358818 162.500 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8697558 0.0000000 0.0000000 0.0000000 4.6029185 0.0000000 0.0000000 0.0000000 4.8754985 -------------------------- Born effective charges -------------------------- 1 O -2.9712810 -0.2222581 -0.4314227 -0.2389789 -2.1670424 0.0372405 -0.4046406 -0.0078297 -2.7010353 2 O -2.9712810 -0.2222581 0.4314227 -0.2389789 -2.1670424 -0.0372405 0.4046406 0.0078297 -2.7010353 3 O -2.9712810 0.2222581 0.4314227 0.2389789 -2.1670424 0.0372405 0.4046406 -0.0078297 -2.7010353 4 O -2.9712810 0.2222581 -0.4314227 0.2389789 -2.1670424 -0.0372405 -0.4046406 0.0078297 -2.7010353 5 O -2.9712810 -0.2222581 -0.4314227 -0.2389789 -2.1670424 0.0372405 -0.4046406 -0.0078297 -2.7010353 6 O -2.9712810 -0.2222581 0.4314227 -0.2389789 -2.1670424 -0.0372405 0.4046406 0.0078297 -2.7010353 7 O -2.9712810 0.2222581 0.4314227 0.2389789 -2.1670424 0.0372405 0.4046406 -0.0078297 -2.7010353 8 O -2.9712810 0.2222581 -0.4314227 0.2389789 -2.1670424 -0.0372405 -0.4046406 0.0078297 -2.7010353 9 O -2.2002936 0.0000000 -0.4765693 0.0000000 -3.0068276 0.0000000 -0.4242697 0.0000000 -2.6759173 10 O -2.2002936 0.0000000 0.4765693 0.0000000 -3.0068276 0.0000000 0.4242697 0.0000000 -2.6759173 11 O -2.2002936 0.0000000 0.4765693 0.0000000 -3.0068276 0.0000000 0.4242697 0.0000000 -2.6759173 12 O -2.2002936 0.0000000 -0.4765693 0.0000000 -3.0068276 0.0000000 -0.4242697 0.0000000 -2.6759173 13 Sc 4.1377959 -0.1116939 -0.0877236 -0.1541013 3.9214861 -0.0558567 -0.1956796 -0.2591818 4.0588190 14 Sc 4.1377959 -0.1116939 0.0877236 -0.1541013 3.9214861 0.0558567 0.1956796 0.2591818 4.0588190 15 Sc 4.1377959 0.1116939 0.0877236 0.1541013 3.9214861 -0.0558567 0.1956796 -0.2591818 4.0588190 16 Sc 4.1377959 0.1116939 -0.0877236 0.1541013 3.9214861 0.0558567 -0.1956796 0.2591818 4.0588190 17 Dy 4.0050597 0.0000000 0.1261170 0.0000000 3.4194262 0.0000000 0.2357556 0.0000000 4.0191689 18 Dy 4.0050597 0.0000000 -0.1261170 0.0000000 3.4194262 0.0000000 -0.2357556 0.0000000 4.0191689 19 Dy 4.0050597 0.0000000 -0.1261170 0.0000000 3.4194262 0.0000000 -0.2357556 0.0000000 4.0191689 20 Dy 4.0050597 0.0000000 0.1261170 0.0000000 3.4194262 0.0000000 0.2357556 0.0000000 4.0191689 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yzy) -0.00000005 (yzy) -0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zx) -0.00000005 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:01:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:01:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.689358889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.871271540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.388571560000000 Atomic positions (fractional): 1 O 0.30596920262418 0.56869321853958 0.69110489808954 15.999 2 O 0.19403079737582 0.43130678146042 0.19110489808954 15.999 3 O 0.80596920262418 0.93130678146042 0.80889510191046 15.999 4 O 0.69403079737582 0.06869321853958 0.30889510191046 15.999 5 O 0.69403079737582 0.43130678146042 0.30889510191046 15.999 6 O 0.80596920262418 0.56869321853958 0.80889510191046 15.999 7 O 0.19403079737582 0.06869321853958 0.19110489808954 15.999 8 O 0.30596920262418 0.93130678146042 0.69110489808954 15.999 9 O 0.55678390776803 0.25000000000000 0.86880673540225 15.999 10 O 0.94321609223197 0.75000000000000 0.36880673540225 15.999 11 O 0.05678390776803 0.25000000000000 0.63119326459775 15.999 12 O 0.44321609223197 0.75000000000000 0.13119326459775 15.999 13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 17 Dy 0.06409941186657 0.75000000000000 0.97893163282364 162.500 18 Dy 0.43590058813343 0.25000000000000 0.47893163282364 162.500 19 Dy 0.56409941186657 0.75000000000000 0.52106836717636 162.500 20 Dy 0.93590058813343 0.25000000000000 0.02106836717636 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.378717779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.871271540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.777143120000000 Atomic positions (fractional): 1 O 0.15298460131209 0.56869321853958 0.34555244904477 15.999 > 1 2 O 0.65298460131209 0.56869321853958 0.34555244904477 15.999 > 1 3 O 0.15298460131209 0.56869321853958 0.84555244904477 15.999 > 1 4 O 0.65298460131209 0.56869321853958 0.84555244904477 15.999 > 1 5 O 0.09701539868791 0.43130678146042 0.09555244904477 15.999 > 5 6 O 0.59701539868791 0.43130678146042 0.09555244904477 15.999 > 5 7 O 0.09701539868791 0.43130678146042 0.59555244904477 15.999 > 5 8 O 0.59701539868791 0.43130678146042 0.59555244904477 15.999 > 5 9 O 0.40298460131209 0.93130678146042 0.40444755095523 15.999 > 9 10 O 0.90298460131209 0.93130678146042 0.40444755095523 15.999 > 9 11 O 0.40298460131209 0.93130678146042 0.90444755095523 15.999 > 9 12 O 0.90298460131209 0.93130678146042 0.90444755095523 15.999 > 9 13 O 0.34701539868791 0.06869321853958 0.15444755095523 15.999 > 13 14 O 0.84701539868791 0.06869321853958 0.15444755095523 15.999 > 13 15 O 0.34701539868791 0.06869321853958 0.65444755095523 15.999 > 13 16 O 0.84701539868791 0.06869321853958 0.65444755095523 15.999 > 13 17 O 0.34701539868791 0.43130678146042 0.15444755095523 15.999 > 17 18 O 0.84701539868791 0.43130678146042 0.15444755095523 15.999 > 17 19 O 0.34701539868791 0.43130678146042 0.65444755095523 15.999 > 17 20 O 0.84701539868791 0.43130678146042 0.65444755095523 15.999 > 17 21 O 0.40298460131209 0.56869321853958 0.40444755095523 15.999 > 21 22 O 0.90298460131209 0.56869321853958 0.40444755095523 15.999 > 21 23 O 0.40298460131209 0.56869321853958 0.90444755095523 15.999 > 21 24 O 0.90298460131209 0.56869321853958 0.90444755095523 15.999 > 21 25 O 0.09701539868791 0.06869321853958 0.09555244904477 15.999 > 25 26 O 0.59701539868791 0.06869321853958 0.09555244904477 15.999 > 25 27 O 0.09701539868791 0.06869321853958 0.59555244904477 15.999 > 25 28 O 0.59701539868791 0.06869321853958 0.59555244904477 15.999 > 25 29 O 0.15298460131209 0.93130678146042 0.34555244904477 15.999 > 29 30 O 0.65298460131209 0.93130678146042 0.34555244904477 15.999 > 29 31 O 0.15298460131209 0.93130678146042 0.84555244904477 15.999 > 29 32 O 0.65298460131209 0.93130678146042 0.84555244904477 15.999 > 29 33 O 0.27839195388401 0.25000000000000 0.43440336770112 15.999 > 33 34 O 0.77839195388401 0.25000000000000 0.43440336770112 15.999 > 33 35 O 0.27839195388401 0.25000000000000 0.93440336770112 15.999 > 33 36 O 0.77839195388401 0.25000000000000 0.93440336770112 15.999 > 33 37 O 0.47160804611599 0.75000000000000 0.18440336770113 15.999 > 37 38 O 0.97160804611599 0.75000000000000 0.18440336770113 15.999 > 37 39 O 0.47160804611599 0.75000000000000 0.68440336770112 15.999 > 37 40 O 0.97160804611599 0.75000000000000 0.68440336770112 15.999 > 37 41 O 0.02839195388401 0.25000000000000 0.31559663229888 15.999 > 41 42 O 0.52839195388401 0.25000000000000 0.31559663229888 15.999 > 41 43 O 0.02839195388401 0.25000000000000 0.81559663229888 15.999 > 41 44 O 0.52839195388401 0.25000000000000 0.81559663229888 15.999 > 41 45 O 0.22160804611599 0.75000000000000 0.06559663229887 15.999 > 45 46 O 0.72160804611599 0.75000000000000 0.06559663229887 15.999 > 45 47 O 0.22160804611599 0.75000000000000 0.56559663229888 15.999 > 45 48 O 0.72160804611599 0.75000000000000 0.56559663229888 15.999 > 45 49 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 49 50 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 49 51 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 49 52 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 49 53 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 53 54 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 53 55 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 53 56 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 53 57 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 57 58 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 57 59 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 57 60 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 57 61 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 61 62 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 61 63 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 61 64 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 61 65 Dy 0.03204970593328 0.75000000000000 0.48946581641182 162.500 > 65 66 Dy 0.53204970593328 0.75000000000000 0.48946581641182 162.500 > 65 67 Dy 0.03204970593328 0.75000000000000 0.98946581641182 162.500 > 65 68 Dy 0.53204970593328 0.75000000000000 0.98946581641182 162.500 > 65 69 Dy 0.21795029406672 0.25000000000000 0.23946581641182 162.500 > 69 70 Dy 0.71795029406672 0.25000000000000 0.23946581641182 162.500 > 69 71 Dy 0.21795029406672 0.25000000000000 0.73946581641182 162.500 > 69 72 Dy 0.71795029406672 0.25000000000000 0.73946581641182 162.500 > 69 73 Dy 0.28204970593328 0.75000000000000 0.26053418358818 162.500 > 73 74 Dy 0.78204970593328 0.75000000000000 0.26053418358818 162.500 > 73 75 Dy 0.28204970593328 0.75000000000000 0.76053418358818 162.500 > 73 76 Dy 0.78204970593328 0.75000000000000 0.76053418358818 162.500 > 73 77 Dy 0.46795029406672 0.25000000000000 0.01053418358818 162.500 > 77 78 Dy 0.96795029406672 0.25000000000000 0.01053418358818 162.500 > 77 79 Dy 0.46795029406672 0.25000000000000 0.51053418358818 162.500 > 77 80 Dy 0.96795029406672 0.25000000000000 0.51053418358818 162.500 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8697558 0.0000000 0.0000000 0.0000000 4.6029185 0.0000000 0.0000000 0.0000000 4.8754985 -------------------------- Born effective charges -------------------------- 1 O -2.9712810 -0.2222581 -0.4314227 -0.2389789 -2.1670424 0.0372405 -0.4046406 -0.0078297 -2.7010353 2 O -2.9712810 -0.2222581 0.4314227 -0.2389789 -2.1670424 -0.0372405 0.4046406 0.0078297 -2.7010353 3 O -2.9712810 0.2222581 0.4314227 0.2389789 -2.1670424 0.0372405 0.4046406 -0.0078297 -2.7010353 4 O -2.9712810 0.2222581 -0.4314227 0.2389789 -2.1670424 -0.0372405 -0.4046406 0.0078297 -2.7010353 5 O -2.9712810 -0.2222581 -0.4314227 -0.2389789 -2.1670424 0.0372405 -0.4046406 -0.0078297 -2.7010353 6 O -2.9712810 -0.2222581 0.4314227 -0.2389789 -2.1670424 -0.0372405 0.4046406 0.0078297 -2.7010353 7 O -2.9712810 0.2222581 0.4314227 0.2389789 -2.1670424 0.0372405 0.4046406 -0.0078297 -2.7010353 8 O -2.9712810 0.2222581 -0.4314227 0.2389789 -2.1670424 -0.0372405 -0.4046406 0.0078297 -2.7010353 9 O -2.2002936 0.0000000 -0.4765693 0.0000000 -3.0068276 0.0000000 -0.4242697 0.0000000 -2.6759173 10 O -2.2002936 0.0000000 0.4765693 0.0000000 -3.0068276 0.0000000 0.4242697 0.0000000 -2.6759173 11 O -2.2002936 0.0000000 0.4765693 0.0000000 -3.0068276 0.0000000 0.4242697 0.0000000 -2.6759173 12 O -2.2002936 0.0000000 -0.4765693 0.0000000 -3.0068276 0.0000000 -0.4242697 0.0000000 -2.6759173 13 Sc 4.1377959 -0.1116939 -0.0877236 -0.1541013 3.9214861 -0.0558567 -0.1956796 -0.2591818 4.0588190 14 Sc 4.1377959 -0.1116939 0.0877236 -0.1541013 3.9214861 0.0558567 0.1956796 0.2591818 4.0588190 15 Sc 4.1377959 0.1116939 0.0877236 0.1541013 3.9214861 -0.0558567 0.1956796 -0.2591818 4.0588190 16 Sc 4.1377959 0.1116939 -0.0877236 0.1541013 3.9214861 0.0558567 -0.1956796 0.2591818 4.0588190 17 Dy 4.0050597 0.0000000 0.1261170 0.0000000 3.4194262 0.0000000 0.2357556 0.0000000 4.0191689 18 Dy 4.0050597 0.0000000 -0.1261170 0.0000000 3.4194262 0.0000000 -0.2357556 0.0000000 4.0191689 19 Dy 4.0050597 0.0000000 -0.1261170 0.0000000 3.4194262 0.0000000 -0.2357556 0.0000000 4.0191689 20 Dy 4.0050597 0.0000000 0.1261170 0.0000000 3.4194262 0.0000000 0.2357556 0.0000000 4.0191689 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yzy) -0.00000005 (yzy) -0.00000005 (yyz) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.883 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.582 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 10.226 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.131 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.752 ( 0.000 0.000 0.000) 0.000 13.808 ( 0.000 0.000 0.000) 0.000 13.960 ( 0.000 0.000 0.000) 0.000 14.008 ( 0.000 0.000 0.000) 0.000 14.217 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 14.870 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.136 ( 0.000 0.000 0.000) 0.000 16.549 ( 0.000 0.000 0.000) 0.000 17.855 ( 0.000 0.000 0.000) 0.000 19.735 ( 0.000 0.000 0.000) 0.000 19.813 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 33.107 0.000 0.000) 33.107 0.747 ( 37.388 0.000 0.000) 37.388 1.339 ( 65.476 0.000 0.000) 65.476 2.275 ( 1.482 0.000 0.000) 1.482 2.888 ( -2.562 0.000 0.000) 2.562 2.972 ( -3.961 0.000 0.000) 3.961 3.111 ( -13.498 0.000 0.000) 13.498 3.249 ( -3.816 0.000 0.000) 3.816 3.263 ( -2.577 0.000 0.000) 2.577 3.440 ( 4.810 0.000 0.000) 4.810 3.574 ( 14.392 0.000 0.000) 14.392 3.686 ( -0.175 0.000 0.000) 0.175 4.588 ( 2.016 0.000 0.000) 2.016 4.613 ( -10.140 0.000 0.000) 10.140 5.174 ( 12.901 0.000 0.000) 12.901 5.551 ( 0.314 0.000 0.000) 0.314 6.369 ( -0.222 0.000 0.000) 0.222 6.439 ( 0.835 0.000 0.000) 0.835 6.538 ( 10.144 0.000 0.000) 10.144 7.236 ( -9.299 0.000 0.000) 9.299 7.353 ( 6.174 0.000 0.000) 6.174 7.656 ( 11.740 0.000 0.000) 11.740 8.349 ( 6.531 0.000 0.000) 6.531 8.426 ( -11.718 0.000 0.000) 11.718 8.505 ( 0.798 0.000 0.000) 0.798 8.723 ( 2.671 0.000 0.000) 2.671 8.859 ( -2.789 0.000 0.000) 2.789 9.143 ( -7.840 0.000 0.000) 7.840 9.541 ( -3.772 0.000 0.000) 3.772 9.993 ( 6.567 0.000 0.000) 6.567 10.038 ( 5.837 0.000 0.000) 5.837 10.329 ( 4.843 0.000 0.000) 4.843 10.424 ( -2.590 0.000 0.000) 2.590 10.920 ( 2.035 0.000 0.000) 2.035 11.316 ( -0.386 0.000 0.000) 0.386 11.332 ( -7.853 0.000 0.000) 7.853 11.643 ( -4.416 0.000 0.000) 4.416 11.661 ( 3.876 0.000 0.000) 3.876 11.999 ( -12.420 0.000 0.000) 12.420 12.784 ( -6.622 0.000 0.000) 6.622 12.955 ( -7.092 0.000 0.000) 7.092 13.149 ( 0.426 0.000 0.000) 0.426 13.436 ( 7.065 0.000 0.000) 7.065 13.694 ( -5.278 0.000 0.000) 5.278 13.818 ( 1.033 0.000 0.000) 1.033 13.901 ( -6.594 0.000 0.000) 6.594 14.005 ( -0.179 0.000 0.000) 0.179 14.208 ( -0.895 0.000 0.000) 0.895 14.526 ( 13.142 0.000 0.000) 13.142 14.864 ( 0.926 0.000 0.000) 0.926 15.031 ( 5.028 0.000 0.000) 5.028 15.117 ( -2.086 0.000 0.000) 2.086 15.321 ( 1.743 0.000 0.000) 1.743 16.015 ( -5.502 0.000 0.000) 5.502 16.230 ( 4.812 0.000 0.000) 4.812 16.405 ( -2.634 0.000 0.000) 2.634 17.948 ( 9.465 0.000 0.000) 9.465 19.758 ( 2.307 0.000 0.000) 2.307 19.806 ( -0.936 0.000 0.000) 0.936 20.579 ( -3.312 0.000 0.000) 3.312 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 28.928 0.000 0.000) 28.928 1.439 ( 32.746 0.000 0.000) 32.746 2.266 ( -3.597 0.000 0.000) 3.597 2.464 ( 45.143 0.000 0.000) 45.143 2.778 ( -18.787 0.000 0.000) 18.787 2.822 ( -2.854 0.000 0.000) 2.854 2.903 ( -2.073 0.000 0.000) 2.073 3.172 ( -2.758 0.000 0.000) 2.758 3.202 ( -3.218 0.000 0.000) 3.218 3.568 ( 7.701 0.000 0.000) 7.701 3.703 ( 2.839 0.000 0.000) 2.839 3.890 ( 15.932 0.000 0.000) 15.932 4.348 ( -16.156 0.000 0.000) 16.156 4.622 ( 0.754 0.000 0.000) 0.754 5.511 ( 20.577 0.000 0.000) 20.577 5.637 ( 9.028 0.000 0.000) 9.028 6.401 ( 4.988 0.000 0.000) 4.988 6.461 ( 1.261 0.000 0.000) 1.261 6.735 ( 8.844 0.000 0.000) 8.844 7.069 ( -7.957 0.000 0.000) 7.957 7.475 ( 3.056 0.000 0.000) 3.056 7.881 ( 10.972 0.000 0.000) 10.972 8.204 ( -6.823 0.000 0.000) 6.823 8.497 ( -2.286 0.000 0.000) 2.286 8.535 ( 12.170 0.000 0.000) 12.170 8.734 ( -11.265 0.000 0.000) 11.265 8.786 ( 3.539 0.000 0.000) 3.539 9.007 ( -4.426 0.000 0.000) 4.426 9.460 ( -3.829 0.000 0.000) 3.829 10.122 ( 5.489 0.000 0.000) 5.489 10.138 ( 1.118 0.000 0.000) 1.118 10.366 ( -0.780 0.000 0.000) 0.780 10.387 ( -1.469 0.000 0.000) 1.469 10.963 ( 1.880 0.000 0.000) 1.880 11.189 ( -4.856 0.000 0.000) 4.856 11.298 ( -1.284 0.000 0.000) 1.284 11.525 ( -7.180 0.000 0.000) 7.180 11.728 ( -13.795 0.000 0.000) 13.795 11.756 ( 5.970 0.000 0.000) 5.970 12.632 ( -8.466 0.000 0.000) 8.466 12.835 ( -3.719 0.000 0.000) 3.719 13.115 ( -3.711 0.000 0.000) 3.711 13.563 ( -8.091 0.000 0.000) 8.091 13.590 ( 8.067 0.000 0.000) 8.067 13.700 ( -13.416 0.000 0.000) 13.416 13.846 ( 1.707 0.000 0.000) 1.707 14.008 ( 0.593 0.000 0.000) 0.593 14.183 ( -1.627 0.000 0.000) 1.627 14.848 ( 18.053 0.000 0.000) 18.053 14.880 ( 0.599 0.000 0.000) 0.599 15.062 ( -3.463 0.000 0.000) 3.463 15.162 ( 7.568 0.000 0.000) 7.568 15.381 ( 4.900 0.000 0.000) 4.900 15.915 ( -4.347 0.000 0.000) 4.347 16.298 ( 1.626 0.000 0.000) 1.626 16.329 ( -5.140 0.000 0.000) 5.140 18.215 ( 17.490 0.000 0.000) 17.490 19.763 ( -3.908 0.000 0.000) 3.908 19.823 ( 4.318 0.000 0.000) 4.318 20.487 ( -5.921 0.000 0.000) 5.921 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 23.274 0.000 0.000) 23.274 1.956 ( 15.905 0.000 0.000) 15.905 2.136 ( -8.455 0.000 0.000) 8.455 2.488 ( -5.758 0.000 0.000) 5.758 2.662 ( -7.423 0.000 0.000) 7.423 2.890 ( -0.315 0.000 0.000) 0.315 3.009 ( 4.987 0.000 0.000) 4.987 3.148 ( -2.282 0.000 0.000) 2.282 3.257 ( 10.756 0.000 0.000) 10.756 3.704 ( 4.144 0.000 0.000) 4.144 3.845 ( 11.087 0.000 0.000) 11.087 4.033 ( -13.522 0.000 0.000) 13.522 4.155 ( 11.119 0.000 0.000) 11.119 4.599 ( -3.357 0.000 0.000) 3.357 5.888 ( 15.642 0.000 0.000) 15.642 5.940 ( 22.391 0.000 0.000) 22.391 6.477 ( -0.143 0.000 0.000) 0.143 6.624 ( 18.053 0.000 0.000) 18.053 6.867 ( 4.788 0.000 0.000) 4.788 6.920 ( -6.618 0.000 0.000) 6.618 7.359 ( -13.262 0.000 0.000) 13.262 8.071 ( 8.282 0.000 0.000) 8.282 8.300 ( 15.296 0.000 0.000) 15.296 8.377 ( -16.382 0.000 0.000) 16.382 8.448 ( -10.966 0.000 0.000) 10.966 8.789 ( 12.148 0.000 0.000) 12.148 8.854 ( 3.311 0.000 0.000) 3.311 8.966 ( -0.777 0.000 0.000) 0.777 9.419 ( 0.225 0.000 0.000) 0.225 9.985 ( -13.918 0.000 0.000) 13.918 10.170 ( -1.167 0.000 0.000) 1.167 10.232 ( -12.469 0.000 0.000) 12.469 10.481 ( 10.183 0.000 0.000) 10.183 10.970 ( -1.700 0.000 0.000) 1.700 11.178 ( 2.650 0.000 0.000) 2.650 11.282 ( -0.034 0.000 0.000) 0.034 11.388 ( -6.233 0.000 0.000) 6.233 11.497 ( -9.403 0.000 0.000) 9.403 11.899 ( 8.548 0.000 0.000) 8.548 12.459 ( -9.223 0.000 0.000) 9.223 12.837 ( 3.771 0.000 0.000) 3.771 13.037 ( -3.223 0.000 0.000) 3.223 13.382 ( -10.250 0.000 0.000) 10.250 13.416 ( -14.575 0.000 0.000) 14.575 13.735 ( 6.585 0.000 0.000) 6.585 13.879 ( 1.458 0.000 0.000) 1.458 14.030 ( 1.614 0.000 0.000) 1.614 14.146 ( -2.190 0.000 0.000) 2.190 14.886 ( 0.111 0.000 0.000) 0.111 14.990 ( -3.684 0.000 0.000) 3.684 15.146 ( 10.649 0.000 0.000) 10.649 15.289 ( 4.558 0.000 0.000) 4.558 15.552 ( 13.356 0.000 0.000) 13.356 15.866 ( -0.035 0.000 0.000) 0.035 16.208 ( -7.055 0.000 0.000) 7.055 16.277 ( -4.161 0.000 0.000) 4.161 18.606 ( 21.704 0.000 0.000) 21.704 19.637 ( -9.342 0.000 0.000) 9.342 19.924 ( 5.996 0.000 0.000) 5.996 20.355 ( -7.448 0.000 0.000) 7.448 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -3.588 0.000 0.000) 3.588 1.997 ( -4.320 0.000 0.000) 4.320 2.184 ( 17.401 0.000 0.000) 17.401 2.471 ( -12.125 0.000 0.000) 12.125 2.642 ( 13.577 0.000 0.000) 13.577 2.839 ( -5.930 0.000 0.000) 5.930 3.064 ( 2.658 0.000 0.000) 2.658 3.109 ( -1.907 0.000 0.000) 1.907 3.412 ( 7.171 0.000 0.000) 7.171 3.599 ( -11.493 0.000 0.000) 11.493 3.967 ( 3.532 0.000 0.000) 3.532 3.997 ( 2.467 0.000 0.000) 2.467 4.342 ( 8.490 0.000 0.000) 8.490 4.494 ( -6.966 0.000 0.000) 6.966 6.200 ( 14.977 0.000 0.000) 14.977 6.352 ( 19.113 0.000 0.000) 19.113 6.421 ( -6.763 0.000 0.000) 6.763 6.665 ( -12.461 0.000 0.000) 12.461 6.947 ( 4.538 0.000 0.000) 4.538 7.094 ( -11.336 0.000 0.000) 11.336 7.214 ( 32.673 0.000 0.000) 32.673 7.869 ( -31.646 0.000 0.000) 31.646 8.207 ( 5.894 0.000 0.000) 5.894 8.317 ( -5.715 0.000 0.000) 5.715 8.664 ( 18.790 0.000 0.000) 18.790 8.906 ( -3.092 0.000 0.000) 3.092 8.912 ( 2.544 0.000 0.000) 2.544 8.949 ( -1.243 0.000 0.000) 1.243 9.488 ( 7.155 0.000 0.000) 7.155 9.697 ( -13.830 0.000 0.000) 13.830 10.037 ( -4.036 0.000 0.000) 4.036 10.086 ( -6.105 0.000 0.000) 6.105 10.696 ( 10.952 0.000 0.000) 10.952 10.881 ( -7.412 0.000 0.000) 7.412 11.239 ( 2.969 0.000 0.000) 2.969 11.296 ( -3.336 0.000 0.000) 3.336 11.302 ( 2.050 0.000 0.000) 2.050 11.364 ( -4.560 0.000 0.000) 4.560 12.081 ( 9.821 0.000 0.000) 9.821 12.273 ( -9.765 0.000 0.000) 9.765 12.962 ( 8.221 0.000 0.000) 8.221 13.022 ( 1.954 0.000 0.000) 1.954 13.170 ( -9.599 0.000 0.000) 9.599 13.177 ( -9.956 0.000 0.000) 9.956 13.841 ( 4.119 0.000 0.000) 4.119 13.889 ( -0.757 0.000 0.000) 0.757 14.065 ( 1.822 0.000 0.000) 1.822 14.102 ( -2.117 0.000 0.000) 2.117 14.893 ( 0.876 0.000 0.000) 0.876 14.927 ( -2.577 0.000 0.000) 2.577 15.277 ( 4.024 0.000 0.000) 4.024 15.324 ( -0.709 0.000 0.000) 0.709 15.857 ( 15.770 0.000 0.000) 15.770 15.923 ( 5.439 0.000 0.000) 5.439 16.062 ( -7.450 0.000 0.000) 7.450 16.129 ( -10.818 0.000 0.000) 10.818 19.029 ( 20.783 0.000 0.000) 20.783 19.391 ( -15.815 0.000 0.000) 15.815 20.055 ( 7.268 0.000 0.000) 7.268 20.204 ( -7.847 0.000 0.000) 7.847 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 32.088 0.000) 32.088 0.798 ( 0.000 36.915 0.000) 36.915 1.211 ( 0.000 51.033 0.000) 51.033 2.333 ( 0.000 5.146 0.000) 5.146 2.561 ( 0.000 -16.548 0.000) 16.548 3.046 ( 0.000 2.858 0.000) 2.858 3.171 ( 0.000 -11.012 0.000) 11.012 3.309 ( 0.000 -6.579 0.000) 6.579 3.392 ( 0.000 9.236 0.000) 9.236 3.536 ( 0.000 16.168 0.000) 16.168 3.552 ( 0.000 -9.825 0.000) 9.825 4.539 ( 0.000 -3.287 0.000) 3.287 4.617 ( 0.000 -7.747 0.000) 7.747 4.988 ( 0.000 -5.037 0.000) 5.037 5.042 ( 0.000 12.274 0.000) 12.274 5.666 ( 0.000 9.280 0.000) 9.280 5.838 ( 0.000 -4.504 0.000) 4.504 6.468 ( 0.000 4.624 0.000) 4.624 6.690 ( 0.000 22.995 0.000) 22.995 6.977 ( 0.000 -7.159 0.000) 7.159 7.334 ( 0.000 4.197 0.000) 4.197 7.346 ( 0.000 -7.346 0.000) 7.346 8.213 ( 0.000 -15.242 0.000) 15.242 8.472 ( 0.000 6.286 0.000) 6.286 8.697 ( 0.000 -0.297 0.000) 0.297 8.898 ( 0.000 3.786 0.000) 3.786 9.194 ( 0.000 -3.005 0.000) 3.005 9.269 ( 0.000 -4.477 0.000) 4.477 9.571 ( 0.000 -0.519 0.000) 0.519 9.946 ( 0.000 -2.122 0.000) 2.122 9.966 ( 0.000 2.769 0.000) 2.769 10.119 ( 0.000 -9.229 0.000) 9.229 10.472 ( 0.000 3.081 0.000) 3.081 10.711 ( 0.000 3.088 0.000) 3.088 11.035 ( 0.000 -2.366 0.000) 2.366 11.241 ( 0.000 -6.960 0.000) 6.960 11.535 ( 0.000 9.177 0.000) 9.177 11.766 ( 0.000 7.386 0.000) 7.386 12.859 ( 0.000 -19.302 0.000) 19.302 12.910 ( 0.000 -10.309 0.000) 10.309 12.949 ( 0.000 8.070 0.000) 8.070 13.128 ( 0.000 0.061 0.000) 0.061 13.399 ( 0.000 -5.437 0.000) 5.437 13.431 ( 0.000 4.933 0.000) 4.933 13.948 ( 0.000 -1.166 0.000) 1.166 13.960 ( 0.000 -3.977 0.000) 3.977 14.114 ( 0.000 23.805 0.000) 23.805 14.164 ( 0.000 5.474 0.000) 5.474 14.747 ( 0.000 -5.917 0.000) 5.917 14.951 ( 0.000 3.604 0.000) 3.604 15.036 ( 0.000 4.726 0.000) 4.726 15.161 ( 0.000 2.015 0.000) 2.015 15.301 ( 0.000 -0.253 0.000) 0.253 16.073 ( 0.000 -3.596 0.000) 3.596 16.088 ( 0.000 -4.230 0.000) 4.230 16.351 ( 0.000 -16.699 0.000) 16.699 18.002 ( 0.000 12.004 0.000) 12.004 18.888 ( 0.000 -3.997 0.000) 3.997 19.731 ( 0.000 -0.312 0.000) 0.312 19.798 ( 0.000 -1.302 0.000) 1.302 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 18.346 19.490 0.000) 26.766 0.997 ( 21.857 21.980 0.000) 30.997 1.816 ( 46.713 33.349 0.000) 57.396 2.340 ( 0.630 4.055 0.000) 4.104 2.528 ( -3.646 -17.998 0.000) 18.364 3.001 ( -4.225 2.267 0.000) 4.795 3.097 ( -7.136 -8.521 0.000) 11.114 3.250 ( -4.127 -2.880 0.000) 5.033 3.432 ( -6.003 7.518 0.000) 9.621 3.467 ( 5.813 5.481 0.000) 7.990 3.612 ( 1.276 0.674 0.000) 1.443 4.404 ( -21.530 43.306 0.000) 48.362 4.487 ( -8.226 -8.439 0.000) 11.785 4.614 ( 2.819 -0.221 0.000) 2.828 5.118 ( 12.639 -5.223 0.000) 13.676 5.600 ( -2.813 4.015 0.000) 4.902 6.190 ( 13.402 -10.496 0.000) 17.023 6.569 ( 8.589 3.123 0.000) 9.139 6.698 ( 0.688 22.961 0.000) 22.971 7.040 ( -1.022 -11.662 0.000) 11.707 7.399 ( 6.230 4.182 0.000) 7.503 7.508 ( 14.321 -9.822 0.000) 17.365 8.194 ( -2.420 -13.156 0.000) 13.377 8.471 ( 1.512 6.905 0.000) 7.068 8.636 ( -5.687 2.006 0.000) 6.030 8.853 ( -3.888 0.810 0.000) 3.972 9.014 ( -10.339 11.589 0.000) 15.531 9.114 ( -7.491 -2.426 0.000) 7.874 9.549 ( -1.453 2.046 0.000) 2.509 9.979 ( 4.609 -1.701 0.000) 4.913 10.039 ( 4.643 -0.345 0.000) 4.656 10.297 ( 9.087 -4.972 0.000) 10.358 10.464 ( -0.809 4.363 0.000) 4.437 10.768 ( 3.094 -8.627 0.000) 9.165 11.117 ( 1.954 -11.141 0.000) 11.311 11.234 ( -0.844 -7.283 0.000) 7.331 11.556 ( 2.363 7.970 0.000) 8.313 11.724 ( -4.174 7.514 0.000) 8.596 12.511 ( -23.804 11.815 0.000) 26.574 12.834 ( -5.959 -5.524 0.000) 8.126 12.889 ( -6.361 4.473 0.000) 7.776 13.030 ( -1.736 -6.670 0.000) 6.892 13.471 ( -0.030 -10.398 0.000) 10.398 13.487 ( 5.288 3.397 0.000) 6.286 13.860 ( -7.426 -3.250 0.000) 8.106 13.989 ( 1.225 -1.451 0.000) 1.899 14.110 ( -3.960 13.749 0.000) 14.308 14.216 ( 2.885 6.776 0.000) 7.364 14.688 ( 3.338 5.704 0.000) 6.609 14.900 ( -0.095 4.769 0.000) 4.770 15.082 ( 4.528 4.384 0.000) 6.302 15.143 ( -1.750 2.413 0.000) 2.981 15.317 ( 1.565 -0.437 0.000) 1.624 15.975 ( -5.344 -3.394 0.000) 6.331 16.178 ( 4.365 -4.777 0.000) 6.471 16.267 ( -3.375 -12.693 0.000) 13.134 18.078 ( 8.392 11.153 0.000) 13.958 19.701 ( 38.256 -44.324 0.000) 58.550 19.752 ( 2.083 -0.488 0.000) 2.139 19.794 ( -0.688 -1.089 0.000) 1.288 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 19.288 3.293 0.000) 19.567 1.505 ( 27.136 6.443 0.000) 27.891 2.348 ( -0.048 4.786 0.000) 4.786 2.380 ( -8.801 -19.072 0.000) 21.004 2.705 ( 34.608 16.977 0.000) 38.548 2.906 ( -4.658 -0.210 0.000) 4.663 2.940 ( -6.864 -2.943 0.000) 7.468 3.174 ( -3.328 -2.055 0.000) 3.911 3.330 ( -3.284 10.078 0.000) 10.599 3.588 ( 6.020 2.912 0.000) 6.688 3.616 ( 1.031 -2.211 0.000) 2.440 4.247 ( -15.263 -7.462 0.000) 16.989 4.317 ( 5.991 32.914 0.000) 33.455 4.702 ( 5.142 5.662 0.000) 7.648 5.445 ( 19.771 -5.954 0.000) 20.648 5.653 ( 8.908 1.216 0.000) 8.991 6.364 ( 7.865 -1.471 0.000) 8.001 6.710 ( 0.262 22.247 0.000) 22.249 6.790 ( 12.232 3.173 0.000) 12.637 6.964 ( -4.821 -8.721 0.000) 9.965 7.526 ( 4.068 4.565 0.000) 6.114 7.767 ( 11.518 -10.392 0.000) 15.514 8.134 ( -1.150 -5.714 0.000) 5.828 8.518 ( -5.816 0.598 0.000) 5.847 8.567 ( 7.944 3.471 0.000) 8.669 8.728 ( -10.517 -0.414 0.000) 10.525 8.913 ( -2.326 7.040 0.000) 7.414 8.965 ( -5.678 -3.694 0.000) 6.774 9.526 ( -0.437 7.569 0.000) 7.582 10.073 ( -0.105 -3.252 0.000) 3.254 10.118 ( 6.400 -2.447 0.000) 6.852 10.401 ( -0.343 1.222 0.000) 1.269 10.441 ( -1.422 6.066 0.000) 6.230 10.826 ( 3.174 -10.325 0.000) 10.802 11.083 ( -2.182 -11.611 0.000) 11.814 11.205 ( -1.907 -8.131 0.000) 8.352 11.582 ( -1.323 5.179 0.000) 5.345 11.616 ( -6.309 8.308 0.000) 10.433 12.169 ( -10.372 17.579 0.000) 20.411 12.712 ( -7.791 5.258 0.000) 9.399 12.754 ( -4.293 -5.407 0.000) 6.904 12.991 ( -2.726 -9.963 0.000) 10.329 13.408 ( -5.837 -9.575 0.000) 11.214 13.574 ( -2.590 -4.554 0.000) 5.239 13.695 ( -3.426 2.678 0.000) 4.349 14.013 ( 1.343 0.016 0.000) 1.343 14.031 ( -3.212 10.975 0.000) 11.435 14.209 ( -1.965 2.969 0.000) 3.560 14.863 ( 5.994 1.122 0.000) 6.098 14.955 ( 9.336 6.616 0.000) 11.443 15.087 ( -3.432 2.355 0.000) 4.163 15.201 ( 6.337 3.302 0.000) 7.146 15.375 ( 5.157 -0.325 0.000) 5.167 15.881 ( -3.904 -2.791 0.000) 4.799 16.212 ( -3.074 -10.289 0.000) 10.739 16.239 ( 1.560 -5.347 0.000) 5.570 18.322 ( 16.142 9.489 0.000) 18.724 19.757 ( -3.386 -0.459 0.000) 3.416 19.809 ( 3.652 -1.185 0.000) 3.840 20.097 ( 7.809 -30.202 0.000) 31.195 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 11.611 -8.876 0.000) 14.615 1.936 ( 9.484 -1.866 0.000) 9.666 2.224 ( 1.433 -15.344 0.000) 15.410 2.354 ( 1.822 11.094 0.000) 11.242 2.802 ( -5.606 4.309 0.000) 7.070 2.835 ( -2.956 -4.931 0.000) 5.749 3.048 ( 1.725 3.833 0.000) 4.204 3.125 ( -1.752 -1.515 0.000) 2.317 3.368 ( 4.398 7.731 0.000) 8.895 3.681 ( 2.763 -1.372 0.000) 3.085 3.713 ( 7.349 -7.812 0.000) 10.725 3.931 ( -15.716 -6.119 0.000) 16.865 4.508 ( 12.319 28.850 0.000) 31.370 4.790 ( 3.415 13.946 0.000) 14.358 5.849 ( 20.564 -7.745 0.000) 21.974 5.907 ( 15.012 1.543 0.000) 15.091 6.602 ( 15.718 1.006 0.000) 15.750 6.685 ( -3.592 18.582 0.000) 18.926 6.847 ( -1.448 -2.987 0.000) 3.319 7.038 ( 9.852 7.672 0.000) 12.487 7.473 ( -7.920 9.883 0.000) 12.664 7.966 ( 9.109 -9.638 0.000) 13.261 8.242 ( 7.681 -5.223 0.000) 9.288 8.395 ( -12.711 1.732 0.000) 12.829 8.455 ( -7.657 0.162 0.000) 7.659 8.742 ( 8.649 -1.954 0.000) 8.867 8.880 ( -1.189 0.593 0.000) 1.329 8.905 ( -1.393 -5.730 0.000) 5.897 9.546 ( 2.592 11.611 0.000) 11.897 9.958 ( -10.239 -1.221 0.000) 10.311 10.226 ( 1.166 3.185 0.000) 3.391 10.260 ( -11.825 2.634 0.000) 12.114 10.442 ( 3.654 -2.588 0.000) 4.478 10.855 ( -1.562 -8.309 0.000) 8.454 11.117 ( 5.017 -11.392 0.000) 12.448 11.177 ( -0.613 -9.296 0.000) 9.316 11.501 ( -5.284 7.767 0.000) 9.394 11.506 ( -4.292 10.600 0.000) 11.436 12.099 ( 1.822 13.887 0.000) 14.006 12.534 ( -9.639 6.710 0.000) 11.744 12.755 ( 3.700 -7.507 0.000) 8.369 12.938 ( -1.848 -9.171 0.000) 9.356 13.258 ( -9.161 -8.965 0.000) 12.818 13.344 ( -14.244 -6.310 0.000) 15.579 13.784 ( 6.436 4.179 0.000) 7.674 13.991 ( -1.160 7.860 0.000) 7.945 14.044 ( 1.762 0.849 0.000) 1.956 14.163 ( -2.635 1.610 0.000) 3.088 14.899 ( 0.523 1.357 0.000) 1.454 15.014 ( -3.812 2.273 0.000) 4.438 15.160 ( 7.574 0.796 0.000) 7.616 15.298 ( 2.880 0.535 0.000) 2.929 15.557 ( 13.620 0.919 0.000) 13.650 15.844 ( 0.647 -1.584 0.000) 1.711 16.135 ( -4.894 -6.523 0.000) 8.155 16.223 ( -3.520 -4.827 0.000) 5.974 18.685 ( 20.266 7.286 0.000) 21.536 19.644 ( -8.520 0.740 0.000) 8.552 19.891 ( 4.635 -2.925 0.000) 5.481 20.142 ( -1.451 -18.232 0.000) 18.289 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 4.868 -11.681 0.000) 12.655 1.857 ( -7.291 -9.127 0.000) 11.682 2.444 ( 6.489 10.981 0.000) 12.755 2.458 ( 10.498 -7.381 0.000) 12.833 2.696 ( -3.598 7.846 0.000) 8.632 2.759 ( -5.559 -6.021 0.000) 8.195 3.062 ( 1.468 -0.295 0.000) 1.497 3.096 ( -1.557 -1.198 0.000) 1.964 3.441 ( 4.719 2.863 0.000) 5.519 3.595 ( -10.678 0.332 0.000) 10.683 3.777 ( 0.324 -10.990 0.000) 10.995 3.788 ( 0.460 -12.149 0.000) 12.158 4.727 ( 8.381 27.629 0.000) 28.873 4.817 ( -1.161 22.578 0.000) 22.608 6.181 ( 11.812 -2.903 0.000) 12.164 6.198 ( 12.825 -11.119 0.000) 16.974 6.566 ( -6.715 13.095 0.000) 14.716 6.606 ( -8.498 1.135 0.000) 8.574 7.186 ( 11.107 13.815 0.000) 17.726 7.251 ( 28.647 4.432 0.000) 28.988 7.320 ( -6.772 17.183 0.000) 18.469 7.889 ( -30.698 1.596 0.000) 30.739 8.122 ( 6.856 -7.446 0.000) 10.121 8.242 ( -5.660 -6.180 0.000) 8.380 8.649 ( 14.736 -1.547 0.000) 14.817 8.822 ( -2.115 -6.491 0.000) 6.827 8.883 ( 0.978 -2.514 0.000) 2.697 8.889 ( -0.443 -5.697 0.000) 5.714 9.615 ( 4.133 10.790 0.000) 11.554 9.743 ( -9.786 4.552 0.000) 10.793 10.078 ( -3.322 3.808 0.000) 5.053 10.143 ( -6.958 5.067 0.000) 8.607 10.591 ( 9.528 -8.624 0.000) 12.852 10.763 ( -7.347 -9.026 0.000) 11.639 11.184 ( 1.063 -10.407 0.000) 10.461 11.192 ( 1.291 -11.141 0.000) 11.216 11.439 ( -0.596 12.634 0.000) 12.649 11.453 ( -1.514 13.165 0.000) 13.252 12.189 ( 6.733 9.039 0.000) 11.271 12.348 ( -9.158 6.616 0.000) 11.298 12.879 ( 8.423 -8.136 0.000) 11.710 12.950 ( 3.682 -8.068 0.000) 8.869 13.066 ( -10.062 -7.865 0.000) 12.771 13.094 ( -10.560 -6.111 0.000) 12.201 13.897 ( 4.862 4.479 0.000) 6.610 13.965 ( -2.078 5.791 0.000) 6.153 14.077 ( 1.661 0.985 0.000) 1.931 14.113 ( -2.221 0.972 0.000) 2.424 14.911 ( 1.075 1.796 0.000) 2.093 14.948 ( -2.706 2.062 0.000) 3.402 15.259 ( 3.467 -1.815 0.000) 3.914 15.308 ( -1.451 -1.676 0.000) 2.217 15.847 ( 14.312 -0.668 0.000) 14.328 15.905 ( 4.974 -1.350 0.000) 5.154 16.026 ( -5.806 -3.139 0.000) 6.600 16.095 ( -9.513 -3.035 0.000) 9.985 19.080 ( 19.410 4.823 0.000) 20.000 19.418 ( -14.669 2.532 0.000) 14.886 19.987 ( 4.992 -6.075 0.000) 7.863 20.080 ( -4.343 -10.935 0.000) 11.766 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 29.722 0.000) 29.722 1.544 ( 0.000 32.899 0.000) 32.899 1.998 ( 0.000 19.955 0.000) 19.955 2.305 ( 0.000 -6.379 0.000) 6.379 2.314 ( 0.000 -9.940 0.000) 9.940 2.830 ( 0.000 -20.821 0.000) 20.821 3.130 ( 0.000 4.539 0.000) 4.539 3.212 ( 0.000 -1.171 0.000) 1.171 3.465 ( 0.000 5.274 0.000) 5.274 3.652 ( 0.000 14.720 0.000) 14.720 3.771 ( 0.000 4.397 0.000) 4.397 4.324 ( 0.000 -14.581 0.000) 14.581 4.554 ( 0.000 1.017 0.000) 1.017 4.836 ( 0.000 -8.899 0.000) 8.899 5.311 ( 0.000 11.888 0.000) 11.888 5.709 ( 0.000 -7.387 0.000) 7.387 5.955 ( 0.000 17.560 0.000) 17.560 6.615 ( 0.000 9.230 0.000) 9.230 6.744 ( 0.000 -14.747 0.000) 14.747 7.132 ( 0.000 -12.313 0.000) 12.313 7.301 ( 0.000 30.466 0.000) 30.466 7.471 ( 0.000 10.349 0.000) 10.349 7.900 ( 0.000 -13.904 0.000) 13.904 8.506 ( 0.000 -16.523 0.000) 16.523 8.655 ( 0.000 10.531 0.000) 10.531 9.011 ( 0.000 4.783 0.000) 4.783 9.121 ( 0.000 -9.250 0.000) 9.250 9.133 ( 0.000 -2.502 0.000) 2.502 9.586 ( 0.000 2.426 0.000) 2.426 9.889 ( 0.000 -11.151 0.000) 11.151 9.905 ( 0.000 -1.047 0.000) 1.047 9.974 ( 0.000 -2.002 0.000) 2.002 10.604 ( 0.000 8.975 0.000) 8.975 10.796 ( 0.000 4.658 0.000) 4.658 10.976 ( 0.000 -3.239 0.000) 3.239 11.049 ( 0.000 -10.506 0.000) 10.506 11.775 ( 0.000 13.080 0.000) 13.080 11.992 ( 0.000 13.611 0.000) 13.611 12.448 ( 0.000 -18.659 0.000) 18.659 12.644 ( 0.000 -14.442 0.000) 14.442 13.140 ( 0.000 1.269 0.000) 1.269 13.166 ( 0.000 11.449 0.000) 11.449 13.284 ( 0.000 -5.248 0.000) 5.248 13.494 ( 0.000 -0.311 0.000) 0.311 13.877 ( 0.000 -2.704 0.000) 2.704 13.913 ( 0.000 -2.039 0.000) 2.039 14.299 ( 0.000 7.240 0.000) 7.240 14.611 ( 0.000 -6.923 0.000) 6.923 14.632 ( 0.000 23.023 0.000) 23.023 15.010 ( 0.000 1.605 0.000) 1.605 15.153 ( 0.000 5.442 0.000) 5.442 15.212 ( 0.000 2.345 0.000) 2.345 15.310 ( 0.000 2.072 0.000) 2.072 15.924 ( 0.000 -22.130 0.000) 22.130 15.981 ( 0.000 -4.447 0.000) 4.447 15.983 ( 0.000 -4.868 0.000) 4.868 18.287 ( 0.000 13.736 0.000) 13.736 18.762 ( 0.000 -7.894 0.000) 7.894 19.726 ( 0.000 0.024 0.000) 0.024 19.765 ( 0.000 -1.648 0.000) 1.648 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 4.059 25.136 0.000) 25.462 1.523 ( 3.054 24.905 0.000) 25.092 2.174 ( -1.498 -7.653 0.000) 7.799 2.300 ( -1.125 -10.688 0.000) 10.747 2.418 ( 22.869 10.550 0.000) 25.185 2.841 ( -0.000 -14.520 0.000) 14.520 3.058 ( -5.844 3.997 0.000) 7.080 3.202 ( -1.858 -0.763 0.000) 2.009 3.476 ( 1.253 8.370 0.000) 8.463 3.675 ( 1.936 12.673 0.000) 12.820 3.782 ( 0.273 5.602 0.000) 5.609 4.256 ( -6.696 -12.824 0.000) 14.467 4.634 ( 7.912 2.979 0.000) 8.455 4.962 ( 12.191 -9.160 0.000) 15.249 5.102 ( -10.820 24.141 0.000) 26.455 5.645 ( -6.415 -2.602 0.000) 6.923 6.104 ( 14.134 5.311 0.000) 15.099 6.667 ( 2.143 2.604 0.000) 3.372 6.787 ( 3.812 -9.285 0.000) 10.037 7.249 ( 10.643 -14.240 0.000) 17.778 7.312 ( 0.894 31.832 0.000) 31.845 7.527 ( 5.373 8.378 0.000) 9.952 7.922 ( 2.277 -12.041 0.000) 12.254 8.489 ( -1.927 -15.272 0.000) 15.393 8.647 ( 0.045 9.681 0.000) 9.681 8.922 ( -7.858 4.194 0.000) 8.907 9.046 ( -5.314 -5.771 0.000) 7.845 9.057 ( -7.572 -2.679 0.000) 8.032 9.658 ( 6.606 7.556 0.000) 10.037 9.939 ( 3.614 -1.349 0.000) 3.858 10.000 ( 1.882 -2.964 0.000) 3.511 10.093 ( 16.427 -12.189 0.000) 20.455 10.610 ( 0.276 8.796 0.000) 8.800 10.724 ( -5.850 3.025 0.000) 6.586 10.951 ( -3.694 -6.265 0.000) 7.273 11.037 ( -1.318 -10.505 0.000) 10.587 11.789 ( 1.157 12.960 0.000) 13.011 11.953 ( -3.812 13.685 0.000) 14.206 12.413 ( -3.332 -14.068 0.000) 14.458 12.596 ( -4.220 -13.847 0.000) 14.476 13.026 ( -9.089 4.069 0.000) 9.958 13.098 ( -6.603 11.734 0.000) 13.464 13.280 ( -1.734 -7.900 0.000) 8.088 13.501 ( -0.319 -3.678 0.000) 3.692 13.819 ( -3.928 0.623 0.000) 3.977 13.944 ( 2.100 -2.784 0.000) 3.487 14.274 ( -2.524 6.395 0.000) 6.876 14.441 ( -8.986 4.587 0.000) 10.089 14.799 ( 8.750 9.525 0.000) 12.934 15.016 ( 1.279 3.975 0.000) 4.175 15.181 ( 1.643 4.229 0.000) 4.537 15.213 ( 0.756 3.507 0.000) 3.588 15.323 ( 1.755 2.569 0.000) 3.112 15.902 ( -4.123 -2.422 0.000) 4.782 15.914 ( 0.027 -19.231 0.000) 19.231 16.045 ( 2.769 -7.076 0.000) 7.599 18.362 ( 7.999 14.700 0.000) 16.735 19.055 ( 23.148 -20.985 0.000) 31.244 19.742 ( 1.500 -0.276 0.000) 1.525 19.766 ( -0.056 -1.310 0.000) 1.312 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 5.053 15.428 0.000) 16.235 1.691 ( 12.663 9.934 0.000) 16.095 2.057 ( -7.785 -10.928 0.000) 13.418 2.288 ( 0.215 -12.775 0.000) 12.777 2.822 ( -0.921 -5.914 0.000) 5.985 2.852 ( 15.110 -5.378 0.000) 16.038 2.936 ( -6.037 4.895 0.000) 7.772 3.145 ( -3.382 -1.478 0.000) 3.690 3.528 ( 3.483 14.112 0.000) 14.535 3.704 ( 0.487 7.580 0.000) 7.595 3.747 ( -3.472 7.504 0.000) 8.268 4.075 ( -11.392 -8.524 0.000) 14.228 4.841 ( 12.557 7.907 0.000) 14.839 5.037 ( 3.536 31.469 0.000) 31.667 5.272 ( 18.491 -9.988 0.000) 21.016 5.665 ( 9.800 -1.007 0.000) 9.852 6.374 ( 13.213 2.364 0.000) 13.423 6.720 ( 3.213 -11.650 0.000) 12.085 6.888 ( 8.413 5.643 0.000) 10.130 7.308 ( -2.414 31.219 0.000) 31.312 7.469 ( 10.902 -16.853 0.000) 20.071 7.648 ( 5.751 6.437 0.000) 8.632 7.999 ( 6.032 -6.193 0.000) 8.645 8.429 ( -3.758 -11.199 0.000) 11.812 8.679 ( 3.136 6.761 0.000) 7.453 8.739 ( -11.191 1.884 0.000) 11.349 8.873 ( -9.651 -4.242 0.000) 10.542 8.951 ( -4.489 -3.091 0.000) 5.450 9.794 ( 6.135 16.124 0.000) 17.252 10.012 ( 0.160 -2.092 0.000) 2.098 10.050 ( 6.151 -3.424 0.000) 7.039 10.398 ( 11.056 -4.871 0.000) 12.081 10.589 ( -3.220 7.658 0.000) 8.308 10.614 ( -3.381 -5.814 0.000) 6.726 10.832 ( -7.286 -10.541 0.000) 12.814 10.991 ( -3.351 -11.109 0.000) 11.603 11.800 ( -0.493 13.300 0.000) 13.309 11.865 ( -4.404 14.668 0.000) 15.315 12.345 ( -2.614 -3.916 0.000) 4.708 12.521 ( -2.454 -13.227 0.000) 13.453 12.851 ( -8.103 1.104 0.000) 8.178 12.930 ( -9.993 11.549 0.000) 15.272 13.202 ( -6.119 -9.923 0.000) 11.658 13.410 ( -9.629 -9.744 0.000) 13.699 13.799 ( 2.722 5.810 0.000) 6.416 13.991 ( 2.666 -2.268 0.000) 3.500 14.206 ( -3.994 5.887 0.000) 7.114 14.296 ( -5.700 3.276 0.000) 6.575 14.920 ( 3.147 4.577 0.000) 5.554 15.079 ( 4.427 2.573 0.000) 5.121 15.157 ( -2.991 4.093 0.000) 5.069 15.266 ( 2.731 1.686 0.000) 3.209 15.408 ( 7.726 5.354 0.000) 9.400 15.837 ( -1.994 -0.004 0.000) 1.994 15.935 ( 1.650 -14.822 0.000) 14.914 16.088 ( 1.359 -8.446 0.000) 8.554 18.588 ( 14.546 15.181 0.000) 21.024 19.458 ( 16.245 -27.426 0.000) 31.876 19.749 ( -1.991 -0.180 0.000) 1.999 19.779 ( 1.974 -1.469 0.000) 2.461 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 3.773 7.414 0.000) 8.319 1.875 ( -5.317 -3.088 0.000) 6.148 1.986 ( 11.166 -6.754 0.000) 13.050 2.309 ( 1.463 -16.208 0.000) 16.274 2.819 ( 1.008 -0.553 0.000) 1.149 2.843 ( -3.072 7.070 0.000) 7.708 3.005 ( 2.467 -8.753 0.000) 9.094 3.089 ( -2.176 -2.538 0.000) 3.343 3.535 ( -2.425 9.107 0.000) 9.424 3.682 ( -2.588 1.996 0.000) 3.268 3.689 ( -2.825 2.959 0.000) 4.090 3.834 ( -12.547 -3.469 0.000) 13.018 5.091 ( 12.139 13.886 0.000) 18.443 5.190 ( 9.912 31.750 0.000) 33.261 5.641 ( 18.225 -11.461 0.000) 21.529 5.918 ( 11.915 -2.134 0.000) 12.104 6.690 ( 16.334 5.690 0.000) 17.297 6.775 ( 8.214 -2.764 0.000) 8.667 7.145 ( 16.083 3.659 0.000) 16.494 7.185 ( -10.187 25.863 0.000) 27.797 7.683 ( 11.671 -16.437 0.000) 20.160 7.713 ( 0.280 10.093 0.000) 10.097 8.106 ( 1.079 -5.591 0.000) 5.694 8.416 ( 3.413 -4.710 0.000) 5.817 8.457 ( -15.528 3.717 0.000) 15.966 8.734 ( -4.383 -9.566 0.000) 10.522 8.743 ( 2.184 2.004 0.000) 2.965 8.865 ( -4.037 -1.899 0.000) 4.462 9.879 ( 2.730 18.988 0.000) 19.183 9.968 ( -4.036 2.492 0.000) 4.743 10.201 ( 8.790 -5.661 0.000) 10.456 10.342 ( -10.431 4.962 0.000) 11.552 10.469 ( -8.733 5.918 0.000) 10.549 10.667 ( -2.652 -8.899 0.000) 9.285 10.769 ( 5.964 -19.348 0.000) 20.247 10.924 ( -2.898 -13.446 0.000) 13.754 11.777 ( -0.984 16.135 0.000) 16.165 11.808 ( -1.176 17.009 0.000) 17.050 12.337 ( 1.679 3.594 0.000) 3.967 12.524 ( 2.671 -13.645 0.000) 13.904 12.724 ( -4.497 -5.830 0.000) 7.363 12.726 ( -10.416 10.375 0.000) 14.701 13.056 ( -8.304 -10.106 0.000) 13.080 13.173 ( -13.191 -9.423 0.000) 16.211 13.890 ( 5.604 5.315 0.000) 7.723 14.045 ( 2.704 -1.100 0.000) 2.919 14.137 ( -2.916 5.270 0.000) 6.023 14.204 ( -4.017 1.748 0.000) 4.381 14.953 ( 0.956 3.891 0.000) 4.007 15.086 ( -3.925 4.514 0.000) 5.982 15.147 ( 2.584 -2.587 0.000) 3.657 15.284 ( -0.961 -2.484 0.000) 2.663 15.615 ( 12.212 4.931 0.000) 13.170 15.837 ( 1.839 1.809 0.000) 2.579 15.959 ( 0.393 -9.405 0.000) 9.414 16.088 ( -1.671 -7.509 0.000) 7.693 18.905 ( 17.155 13.272 0.000) 21.690 19.672 ( -6.200 1.964 0.000) 6.504 19.687 ( 7.833 -22.567 0.000) 23.888 19.813 ( 1.248 -4.147 0.000) 4.331 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 3.975 3.458 0.000) 5.269 1.742 ( -6.203 0.246 0.000) 6.208 2.208 ( 9.010 -14.799 0.000) 17.326 2.314 ( -1.897 -18.815 0.000) 18.911 2.824 ( 0.831 8.380 0.000) 8.421 2.841 ( 0.217 4.714 0.000) 4.719 3.021 ( 0.758 -4.155 0.000) 4.224 3.053 ( -1.894 -3.081 0.000) 3.617 3.517 ( 1.825 4.001 0.000) 4.397 3.615 ( -6.699 0.539 0.000) 6.721 3.627 ( -2.463 -2.575 0.000) 3.563 3.630 ( -4.160 -2.010 0.000) 4.620 5.283 ( 6.759 19.965 0.000) 21.078 5.328 ( 2.642 26.398 0.000) 26.530 5.943 ( 11.626 -12.742 0.000) 17.249 6.052 ( 1.069 -9.162 0.000) 9.224 6.778 ( 4.778 13.944 0.000) 14.740 6.952 ( -12.041 22.003 0.000) 25.082 7.292 ( 30.138 -0.686 0.000) 30.146 7.454 ( 16.083 9.088 0.000) 18.473 7.633 ( -8.664 5.191 0.000) 10.100 7.916 ( -23.432 3.351 0.000) 23.671 7.926 ( 12.450 -10.502 0.000) 16.288 8.138 ( -10.247 -1.499 0.000) 10.356 8.594 ( 7.573 -3.314 0.000) 8.266 8.708 ( -5.010 -2.534 0.000) 5.614 8.725 ( 4.374 -8.877 0.000) 9.896 8.816 ( -2.526 -3.756 0.000) 4.526 9.892 ( -2.290 9.238 0.000) 9.518 9.898 ( -1.163 15.001 0.000) 15.046 10.193 ( -1.609 6.610 0.000) 6.803 10.284 ( -8.833 6.390 0.000) 10.902 10.382 ( 9.350 -8.460 0.000) 12.610 10.552 ( -7.660 -9.905 0.000) 12.522 10.871 ( 2.587 -17.512 0.000) 17.702 10.892 ( -0.583 -16.037 0.000) 16.047 11.786 ( 1.541 18.916 0.000) 18.979 11.804 ( -0.013 19.029 0.000) 19.029 12.396 ( 4.331 7.369 0.000) 8.547 12.515 ( -7.406 5.287 0.000) 9.100 12.633 ( 4.352 -11.192 0.000) 12.009 12.685 ( -0.249 -13.080 0.000) 13.082 12.908 ( -5.288 -7.943 0.000) 9.542 12.944 ( -8.770 -7.884 0.000) 11.793 13.997 ( 5.127 4.423 0.000) 6.772 14.082 ( -3.333 4.425 0.000) 5.540 14.092 ( 2.149 0.080 0.000) 2.151 14.136 ( -2.759 0.937 0.000) 2.914 14.974 ( 1.461 4.141 0.000) 4.391 15.017 ( -2.976 4.427 0.000) 5.334 15.193 ( 2.425 -4.401 0.000) 5.025 15.244 ( -2.645 -4.471 0.000) 5.194 15.841 ( 10.085 0.446 0.000) 10.094 15.889 ( 2.861 0.362 0.000) 2.884 15.947 ( -1.368 -3.940 0.000) 4.171 16.013 ( -5.951 -4.333 0.000) 7.361 19.232 ( 15.724 9.429 0.000) 18.335 19.500 ( -11.424 5.280 0.000) 12.586 19.789 ( 3.121 -15.268 0.000) 15.584 19.822 ( -0.443 -8.786 0.000) 8.797 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 -24.330 0.000) 24.330 1.929 ( 0.000 24.330 0.000) 24.330 2.084 ( 0.000 -11.190 0.000) 11.190 2.084 ( 0.000 11.190 0.000) 11.190 2.368 ( 0.000 -16.842 0.000) 16.842 2.368 ( 0.000 16.842 0.000) 16.842 3.203 ( 0.000 -1.613 0.000) 1.613 3.203 ( 0.000 1.613 0.000) 1.613 3.695 ( 0.000 -10.732 0.000) 10.732 3.695 ( 0.000 10.732 0.000) 10.732 3.989 ( 0.000 -16.447 0.000) 16.447 3.989 ( 0.000 16.447 0.000) 16.447 4.648 ( 0.000 -7.642 0.000) 7.642 4.648 ( 0.000 7.642 0.000) 7.642 5.533 ( 0.000 -9.263 0.000) 9.263 5.533 ( 0.000 9.263 0.000) 9.263 6.366 ( 0.000 -19.877 0.000) 19.877 6.366 ( 0.000 19.877 0.000) 19.877 6.856 ( 0.000 -12.886 0.000) 12.886 6.856 ( 0.000 12.886 0.000) 12.886 7.635 ( 0.000 -11.072 0.000) 11.072 7.635 ( 0.000 11.072 0.000) 11.072 8.015 ( 0.000 -29.019 0.000) 29.019 8.015 ( 0.000 29.019 0.000) 29.019 8.895 ( 0.000 -11.572 0.000) 11.572 8.895 ( 0.000 11.572 0.000) 11.572 9.084 ( 0.000 -2.472 0.000) 2.472 9.084 ( 0.000 2.472 0.000) 2.472 9.688 ( 0.000 -7.326 0.000) 7.326 9.688 ( 0.000 7.326 0.000) 7.326 9.919 ( 0.000 -2.234 0.000) 2.234 9.919 ( 0.000 2.234 0.000) 2.234 10.819 ( 0.000 -10.817 0.000) 10.817 10.819 ( 0.000 10.817 0.000) 10.817 10.895 ( 0.000 -4.404 0.000) 4.404 10.895 ( 0.000 4.404 0.000) 4.404 12.082 ( 0.000 -15.890 0.000) 15.890 12.082 ( 0.000 15.890 0.000) 15.890 12.315 ( 0.000 -16.095 0.000) 16.095 12.315 ( 0.000 16.095 0.000) 16.095 13.189 ( 0.000 -3.465 0.000) 3.465 13.189 ( 0.000 3.465 0.000) 3.465 13.391 ( 0.000 -8.780 0.000) 8.780 13.391 ( 0.000 8.780 0.000) 8.780 13.870 ( 0.000 -1.547 0.000) 1.547 13.870 ( 0.000 1.547 0.000) 1.547 14.457 ( 0.000 -7.506 0.000) 7.506 14.457 ( 0.000 7.506 0.000) 7.506 14.977 ( 0.000 -7.141 0.000) 7.141 14.977 ( 0.000 7.141 0.000) 7.141 15.231 ( 0.000 -1.320 0.000) 1.320 15.231 ( 0.000 1.320 0.000) 1.320 15.485 ( 0.000 -16.561 0.000) 16.561 15.485 ( 0.000 16.561 0.000) 16.561 15.924 ( 0.000 -0.048 0.000) 0.048 15.924 ( 0.000 0.048 0.000) 0.048 18.556 ( 0.000 -11.420 0.000) 11.420 18.556 ( 0.000 11.420 0.000) 11.420 19.736 ( 0.000 -0.952 0.000) 0.952 19.736 ( 0.000 0.952 0.000) 0.952 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -1.129 -23.241 0.000) 23.269 1.916 ( -1.129 23.241 0.000) 23.269 1.959 ( -6.747 -14.510 0.000) 16.002 1.959 ( -6.747 14.510 0.000) 16.002 2.566 ( 12.548 -8.814 0.000) 15.334 2.566 ( 12.548 8.814 0.000) 15.334 3.160 ( -4.030 -4.083 0.000) 5.737 3.160 ( -4.030 4.083 0.000) 5.737 3.734 ( 3.478 -10.032 0.000) 10.618 3.734 ( 3.478 10.032 0.000) 10.618 3.965 ( -2.499 -14.213 0.000) 14.432 3.965 ( -2.499 14.213 0.000) 14.432 4.761 ( 11.058 -8.705 0.000) 14.073 4.761 ( 11.058 8.705 0.000) 14.073 5.476 ( -2.726 -12.368 0.000) 12.665 5.476 ( -2.726 12.368 0.000) 12.665 6.386 ( 2.273 -17.727 0.000) 17.872 6.386 ( 2.273 17.727 0.000) 17.872 6.943 ( 7.641 -13.514 0.000) 15.524 6.943 ( 7.641 13.514 0.000) 15.524 7.683 ( 4.464 -9.711 0.000) 10.688 7.683 ( 4.464 9.711 0.000) 10.688 8.017 ( 0.236 -28.164 0.000) 28.164 8.017 ( 0.236 28.164 0.000) 28.164 8.864 ( -2.179 -10.197 0.000) 10.427 8.864 ( -2.179 10.197 0.000) 10.427 8.999 ( -8.141 -3.027 0.000) 8.685 8.999 ( -8.141 3.027 0.000) 8.685 9.848 ( 14.129 -10.385 0.000) 17.535 9.848 ( 14.129 10.385 0.000) 17.535 9.943 ( 2.243 -1.804 0.000) 2.878 9.943 ( 2.243 1.804 0.000) 2.878 10.814 ( -0.821 -10.258 0.000) 10.290 10.814 ( -0.821 10.258 0.000) 10.290 10.825 ( -6.821 -5.685 0.000) 8.880 10.825 ( -6.821 5.685 0.000) 8.880 12.090 ( 0.681 -15.227 0.000) 15.243 12.090 ( 0.681 15.227 0.000) 15.243 12.275 ( -3.671 -15.939 0.000) 16.356 12.275 ( -3.671 15.939 0.000) 16.356 13.134 ( -5.459 -5.978 0.000) 8.096 13.134 ( -5.459 5.978 0.000) 8.096 13.340 ( -5.403 -10.360 0.000) 11.684 13.340 ( -5.403 10.360 0.000) 11.684 13.874 ( 0.832 -3.577 0.000) 3.673 13.874 ( 0.832 3.577 0.000) 3.673 14.403 ( -4.836 -5.248 0.000) 7.137 14.403 ( -4.836 5.248 0.000) 7.137 15.002 ( 2.013 -5.908 0.000) 6.241 15.002 ( 2.013 5.908 0.000) 6.241 15.244 ( 0.916 -1.112 0.000) 1.441 15.244 ( 0.916 1.112 0.000) 1.441 15.519 ( 3.594 -16.079 0.000) 16.476 15.519 ( 3.594 16.079 0.000) 16.476 15.916 ( -0.555 -4.050 0.000) 4.088 15.916 ( -0.555 4.050 0.000) 4.088 18.683 ( 11.818 -15.672 0.000) 19.629 18.683 ( 11.818 15.672 0.000) 19.629 19.745 ( 0.735 -0.595 0.000) 0.946 19.745 ( 0.735 0.595 0.000) 0.946 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -1.556 -7.576 0.000) 7.734 1.880 ( -1.556 7.576 0.000) 7.734 1.894 ( -0.894 -21.309 0.000) 21.328 1.894 ( -0.894 21.309 0.000) 21.328 2.748 ( 6.287 -0.794 0.000) 6.337 2.748 ( 6.287 0.794 0.000) 6.337 3.069 ( -4.638 -5.811 0.000) 7.435 3.069 ( -4.638 5.811 0.000) 7.435 3.773 ( -1.060 -5.902 0.000) 5.996 3.773 ( -1.060 5.902 0.000) 5.996 3.887 ( -5.546 -9.151 0.000) 10.700 3.887 ( -5.546 9.151 0.000) 10.700 5.044 ( 16.818 -10.871 0.000) 20.025 5.044 ( 16.818 10.871 0.000) 20.025 5.534 ( 8.933 -13.867 0.000) 16.496 5.534 ( 8.933 13.867 0.000) 16.496 6.484 ( 8.782 -8.833 0.000) 12.455 6.484 ( 8.782 8.833 0.000) 12.455 7.112 ( 9.330 -15.101 0.000) 17.750 7.112 ( 9.330 15.101 0.000) 17.750 7.756 ( 0.388 -1.720 0.000) 1.763 7.756 ( 0.388 1.720 0.000) 1.763 8.051 ( 4.905 -19.859 0.000) 20.455 8.051 ( 4.905 19.859 0.000) 20.455 8.796 ( -11.897 -3.200 0.000) 12.320 8.796 ( -11.897 3.200 0.000) 12.320 8.833 ( -1.087 -7.137 0.000) 7.220 8.833 ( -1.087 7.137 0.000) 7.220 9.998 ( 3.252 -1.014 0.000) 3.407 9.998 ( 3.252 1.014 0.000) 3.407 10.143 ( 14.025 -15.851 0.000) 21.166 10.143 ( 14.025 15.851 0.000) 21.166 10.651 ( -10.140 -6.319 0.000) 11.948 10.651 ( -10.140 6.319 0.000) 11.948 10.768 ( -4.252 -9.498 0.000) 10.406 10.768 ( -4.252 9.498 0.000) 10.406 12.105 ( 0.940 -14.696 0.000) 14.727 12.105 ( 0.940 14.696 0.000) 14.727 12.202 ( -2.876 -16.270 0.000) 16.523 12.202 ( -2.876 16.270 0.000) 16.523 12.994 ( -8.306 -9.419 0.000) 12.558 12.994 ( -8.306 9.419 0.000) 12.558 13.181 ( -10.469 -11.644 0.000) 15.658 13.181 ( -10.469 11.644 0.000) 15.658 13.915 ( 3.263 -4.788 0.000) 5.794 13.915 ( 3.263 4.788 0.000) 5.794 14.299 ( -5.185 -2.647 0.000) 5.822 14.299 ( -5.185 2.647 0.000) 5.822 15.036 ( 1.288 -5.182 0.000) 5.339 15.036 ( 1.288 5.182 0.000) 5.339 15.244 ( -1.310 -3.402 0.000) 3.646 15.244 ( -1.310 3.402 0.000) 3.646 15.624 ( 6.806 -13.663 0.000) 15.265 15.624 ( 6.806 13.663 0.000) 15.265 15.914 ( 0.537 -6.905 0.000) 6.926 15.914 ( 0.537 6.905 0.000) 6.926 18.959 ( 15.181 -20.113 0.000) 25.199 18.959 ( 15.181 20.113 0.000) 25.199 19.754 ( -0.078 -0.752 0.000) 0.757 19.754 ( -0.078 0.753 0.000) 0.757 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.820 -3.519 0.000) 3.613 1.878 ( 0.820 3.519 0.000) 3.613 1.885 ( -0.034 -20.076 0.000) 20.076 1.885 ( -0.034 20.076 0.000) 20.076 2.846 ( 4.378 -4.235 0.000) 6.091 2.846 ( 4.378 4.235 0.000) 6.091 2.997 ( -2.475 -6.169 0.000) 6.647 2.997 ( -2.475 6.169 0.000) 6.647 3.690 ( -6.211 -3.950 0.000) 7.360 3.690 ( -6.211 3.950 0.000) 7.360 3.755 ( -7.488 -4.111 0.000) 8.542 3.755 ( -7.488 4.111 0.000) 8.542 5.377 ( 16.372 -13.169 0.000) 21.011 5.377 ( 16.372 13.169 0.000) 21.011 5.728 ( 7.875 -17.332 0.000) 19.037 5.728 ( 7.875 17.332 0.000) 19.037 6.753 ( 18.050 -0.830 0.000) 18.069 6.753 ( 18.050 0.830 0.000) 18.069 7.328 ( 13.849 -14.784 0.000) 20.258 7.328 ( 13.849 14.784 0.000) 20.258 7.654 ( -9.809 -15.881 0.000) 18.666 7.654 ( -9.809 15.881 0.000) 18.666 8.206 ( 7.495 -13.035 0.000) 15.036 8.206 ( 7.495 13.035 0.000) 15.036 8.562 ( -10.345 -6.171 0.000) 12.045 8.562 ( -10.345 6.171 0.000) 12.045 8.807 ( -2.072 -3.356 0.000) 3.944 8.807 ( -2.072 3.356 0.000) 3.944 10.063 ( 3.134 -6.172 0.000) 6.922 10.063 ( 3.134 6.172 0.000) 6.922 10.307 ( -0.727 -19.459 0.000) 19.473 10.307 ( -0.727 19.459 0.000) 19.473 10.499 ( -1.850 -5.621 0.000) 5.918 10.499 ( -1.850 5.621 0.000) 5.918 10.654 ( -6.549 -11.179 0.000) 12.956 10.654 ( -6.549 11.179 0.000) 12.956 12.136 ( 2.533 -16.591 0.000) 16.783 12.136 ( 2.533 16.591 0.000) 16.783 12.185 ( 1.134 -17.697 0.000) 17.733 12.185 ( 1.134 17.697 0.000) 17.733 12.831 ( -7.779 -10.604 0.000) 13.151 12.831 ( -7.779 10.604 0.000) 13.151 12.956 ( -11.817 -10.842 0.000) 16.037 12.956 ( -11.817 10.842 0.000) 16.037 13.991 ( 4.203 -3.902 0.000) 5.735 13.991 ( 4.203 3.902 0.000) 5.735 14.210 ( -3.997 -1.583 0.000) 4.299 14.210 ( -3.997 1.583 0.000) 4.299 15.056 ( 0.977 -5.314 0.000) 5.403 15.056 ( 0.977 5.314 0.000) 5.403 15.195 ( -3.343 -5.312 0.000) 6.277 15.195 ( -3.343 5.312 0.000) 6.277 15.762 ( 6.832 -8.594 0.000) 10.979 15.762 ( 6.832 8.594 0.000) 10.979 15.931 ( 0.771 -6.596 0.000) 6.641 15.931 ( 0.771 6.596 0.000) 6.641 19.244 ( 13.481 -18.699 0.000) 23.052 19.244 ( 13.481 18.699 0.000) 23.052 19.730 ( -2.740 -3.461 0.000) 4.414 19.730 ( -2.740 3.461 0.000) 4.414 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.388 -18.222 0.000) 18.226 1.890 ( 0.388 18.222 0.000) 18.226 1.892 ( 0.323 -12.970 0.000) 12.974 1.892 ( 0.323 12.970 0.000) 12.974 2.924 ( 3.327 -4.077 0.000) 5.262 2.924 ( 3.327 4.077 0.000) 5.262 2.966 ( -1.245 -5.133 0.000) 5.281 2.966 ( -1.245 5.133 0.000) 5.281 3.592 ( -2.367 -2.399 0.000) 3.370 3.592 ( -2.367 2.399 0.000) 3.370 3.623 ( -5.116 -0.755 0.000) 5.172 3.623 ( -5.116 0.755 0.000) 5.172 5.651 ( 10.984 -15.190 0.000) 18.745 5.651 ( 10.984 15.190 0.000) 18.745 5.785 ( -2.244 -16.639 0.000) 16.790 5.785 ( -2.244 16.639 0.000) 16.790 7.111 ( 17.079 -14.844 0.000) 22.628 7.111 ( 17.079 14.844 0.000) 22.628 7.414 ( -14.119 -19.458 0.000) 24.041 7.414 ( -14.119 19.458 0.000) 24.041 7.680 ( 21.526 -12.216 0.000) 24.751 7.680 ( 21.526 12.216 0.000) 24.751 8.090 ( -17.970 -6.711 0.000) 19.182 8.090 ( -17.970 6.711 0.000) 19.182 8.574 ( 8.932 -3.506 0.000) 9.596 8.574 ( 8.932 3.506 0.000) 9.596 8.732 ( -6.014 -3.655 0.000) 7.038 8.732 ( -6.014 3.655 0.000) 7.038 10.116 ( 2.603 -11.435 0.000) 11.728 10.116 ( 2.603 11.435 0.000) 11.728 10.196 ( -6.092 -10.749 0.000) 12.356 10.196 ( -6.092 10.749 0.000) 12.356 10.527 ( 1.445 -11.980 0.000) 12.067 10.527 ( 1.445 11.980 0.000) 12.067 10.557 ( -2.773 -14.432 0.000) 14.696 10.557 ( -2.773 14.432 0.000) 14.696 12.201 ( 3.304 -19.137 0.000) 19.420 12.201 ( 3.304 19.137 0.000) 19.420 12.222 ( 1.403 -19.536 0.000) 19.586 12.222 ( 1.403 19.536 0.000) 19.586 12.716 ( -2.944 -9.635 0.000) 10.075 12.716 ( -2.944 9.635 0.000) 10.075 12.758 ( -7.234 -9.638 0.000) 12.050 12.758 ( -7.234 9.638 0.000) 12.050 14.070 ( 3.779 -2.287 0.000) 4.418 14.070 ( 3.779 2.287 0.000) 4.418 14.139 ( -3.401 -1.042 0.000) 3.557 14.139 ( -3.401 1.042 0.000) 3.557 15.082 ( 1.788 -5.685 0.000) 5.959 15.082 ( 1.788 5.685 0.000) 5.959 15.129 ( -3.069 -5.866 0.000) 6.620 15.129 ( -3.069 5.866 0.000) 6.620 15.874 ( 4.369 -2.643 0.000) 5.106 15.874 ( 4.369 2.643 0.000) 5.106 15.929 ( -1.275 -3.247 0.000) 3.488 15.929 ( -1.275 3.247 0.000) 3.488 19.477 ( 10.257 -13.556 0.000) 16.999 19.477 ( 10.257 13.556 0.000) 16.999 19.641 ( -6.464 -7.882 0.000) 10.194 19.641 ( -6.464 7.882 0.000) 10.194 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.000 0.000 31.929) 31.929 0.695 ( 0.000 0.000 32.636) 32.636 1.333 ( 0.000 0.000 62.467) 62.467 2.322 ( 0.000 0.000 4.467) 4.467 2.872 ( 0.000 0.000 -10.867) 10.867 2.872 ( 0.000 0.000 2.480) 2.480 3.124 ( 0.000 0.000 -10.784) 10.784 3.242 ( 0.000 0.000 -13.715) 13.715 3.261 ( 0.000 0.000 -3.051) 3.051 3.322 ( 0.000 0.000 -2.153) 2.153 3.544 ( 0.000 0.000 9.517) 9.517 3.636 ( 0.000 0.000 -4.583) 4.583 4.664 ( 0.000 0.000 9.613) 9.613 4.680 ( 0.000 0.000 -3.404) 3.404 5.665 ( 0.000 0.000 9.448) 9.448 5.911 ( 0.000 0.000 1.374) 1.374 6.051 ( 0.000 0.000 -20.723) 20.723 6.177 ( 0.000 0.000 1.976) 1.976 6.599 ( 0.000 0.000 5.326) 5.326 7.117 ( 0.000 0.000 6.358) 6.358 7.273 ( 0.000 0.000 -14.623) 14.623 7.583 ( 0.000 0.000 24.117) 24.117 8.180 ( 0.000 0.000 -10.285) 10.285 8.401 ( 0.000 0.000 -0.251) 0.251 8.554 ( 0.000 0.000 0.317) 0.317 8.856 ( 0.000 0.000 -3.412) 3.412 9.113 ( 0.000 0.000 -16.443) 16.443 9.236 ( 0.000 0.000 0.166) 0.166 9.868 ( 0.000 0.000 9.217) 9.217 9.971 ( 0.000 0.000 4.041) 4.041 10.253 ( 0.000 0.000 16.713) 16.713 10.273 ( 0.000 0.000 4.350) 4.350 10.294 ( 0.000 0.000 1.636) 1.636 10.495 ( 0.000 0.000 4.122) 4.122 10.938 ( 0.000 0.000 -12.048) 12.048 11.417 ( 0.000 0.000 -0.847) 0.847 11.555 ( 0.000 0.000 -5.417) 5.417 11.667 ( 0.000 0.000 -1.223) 1.223 12.319 ( 0.000 0.000 -8.344) 8.344 12.898 ( 0.000 0.000 3.723) 3.723 12.963 ( 0.000 0.000 -14.885) 14.885 13.042 ( 0.000 0.000 -6.891) 6.891 13.292 ( 0.000 0.000 -5.848) 5.848 13.722 ( 0.000 0.000 -1.692) 1.692 13.812 ( 0.000 0.000 0.156) 0.156 13.862 ( 0.000 0.000 -10.121) 10.121 13.993 ( 0.000 0.000 -1.398) 1.398 14.257 ( 0.000 0.000 3.797) 3.797 14.839 ( 0.000 0.000 -1.726) 1.726 14.849 ( 0.000 0.000 -1.248) 1.248 14.885 ( 0.000 0.000 -10.050) 10.050 15.030 ( 0.000 0.000 -9.304) 9.304 15.366 ( 0.000 0.000 13.429) 13.429 15.645 ( 0.000 0.000 13.374) 13.374 16.073 ( 0.000 0.000 -2.177) 2.177 16.703 ( 0.000 0.000 11.996) 11.996 18.015 ( 0.000 0.000 14.543) 14.543 19.722 ( 0.000 0.000 -1.122) 1.122 19.811 ( 0.000 0.000 -0.316) 0.316 20.311 ( 0.000 0.000 -3.187) 3.187 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 24.840 0.000 19.132) 31.354 1.056 ( 23.823 0.000 24.754) 34.356 1.790 ( 42.335 0.000 39.735) 58.061 2.318 ( -1.076 0.000 1.921) 2.202 2.868 ( -0.708 0.000 -8.426) 8.456 2.872 ( -0.869 0.000 0.450) 0.978 3.014 ( -10.762 0.000 -8.062) 13.447 3.125 ( -9.818 0.000 -6.455) 11.750 3.252 ( -0.803 0.000 -6.813) 6.861 3.375 ( 6.382 0.000 -4.031) 7.548 3.646 ( 1.045 0.000 -3.605) 3.753 3.661 ( 11.515 0.000 7.353) 13.662 4.588 ( -9.115 0.000 -2.637) 9.489 4.688 ( 2.213 0.000 9.557) 9.810 5.509 ( -8.585 0.000 16.049) 18.201 5.604 ( -2.852 0.000 4.183) 5.063 6.188 ( 10.627 0.000 -15.435) 18.739 6.523 ( 9.356 0.000 7.711) 12.124 6.618 ( 1.960 0.000 3.731) 4.214 7.054 ( -5.195 0.000 -9.782) 11.076 7.439 ( 13.029 0.000 -12.358) 17.958 7.592 ( 0.788 0.000 18.513) 18.530 8.175 ( -2.568 0.000 -12.159) 12.428 8.498 ( 7.390 0.000 -1.877) 7.624 8.558 ( 2.693 0.000 8.400) 8.821 8.824 ( -5.146 0.000 -1.495) 5.359 8.941 ( -11.558 0.000 5.491) 12.796 9.067 ( -11.348 0.000 -6.403) 13.030 9.598 ( -1.722 0.000 9.567) 9.721 9.947 ( -1.632 0.000 -4.613) 4.893 10.215 ( -2.628 0.000 11.293) 11.595 10.389 ( 7.737 0.000 4.956) 9.188 10.450 ( -3.127 0.000 3.101) 4.404 10.778 ( 14.439 0.000 -7.031) 16.060 11.027 ( 9.808 0.000 -15.013) 17.933 11.292 ( -8.892 0.000 -3.405) 9.521 11.551 ( -0.729 0.000 -3.089) 3.174 11.745 ( 5.257 0.000 2.725) 5.921 12.006 ( -21.668 0.000 -3.510) 21.951 12.814 ( -7.083 0.000 2.772) 7.606 12.885 ( -3.713 0.000 -10.707) 11.333 13.115 ( 0.609 0.000 -4.623) 4.662 13.382 ( 7.689 0.000 -4.755) 9.041 13.689 ( -3.971 0.000 -0.637) 4.022 13.816 ( -5.279 0.000 -8.367) 9.893 13.820 ( 0.738 0.000 -0.123) 0.748 13.991 ( -0.077 0.000 -1.259) 1.261 14.247 ( -1.035 0.000 3.583) 3.730 14.639 ( -0.623 0.000 0.511) 0.806 14.849 ( 0.830 0.000 -1.732) 1.921 14.938 ( 1.552 0.000 -2.810) 3.210 15.015 ( -1.489 0.000 -8.828) 8.952 15.484 ( 4.365 0.000 12.469) 13.211 15.881 ( 10.203 0.000 -3.549) 10.803 16.135 ( 4.594 0.000 -3.694) 5.895 16.602 ( -5.739 0.000 14.421) 15.521 18.095 ( 8.123 0.000 13.361) 15.636 19.726 ( 0.730 0.000 -2.516) 2.620 19.797 ( -1.582 0.000 -0.936) 1.838 20.424 ( 4.263 0.000 -9.041) 9.996 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 25.353 0.000 5.162) 25.873 1.507 ( 22.491 0.000 18.517) 29.133 2.245 ( -6.913 0.000 -3.627) 7.807 2.647 ( 34.459 0.000 15.328) 37.714 2.733 ( -14.878 0.000 -4.624) 15.580 2.845 ( 2.242 0.000 3.135) 3.854 2.872 ( 0.367 0.000 -1.256) 1.308 2.955 ( -6.680 0.000 -9.884) 11.929 3.218 ( -2.662 0.000 -5.850) 6.428 3.541 ( 9.862 0.000 -2.198) 10.104 3.693 ( 4.795 0.000 -1.157) 4.933 3.940 ( 15.270 0.000 4.787) 16.003 4.347 ( -14.701 0.000 -0.410) 14.707 4.729 ( 1.247 0.000 9.963) 10.041 5.578 ( 12.381 0.000 4.852) 13.298 5.634 ( 6.643 0.000 -0.485) 6.661 6.381 ( 8.102 0.000 -8.106) 11.461 6.628 ( 4.662 0.000 18.178) 18.766 6.676 ( 3.876 0.000 -2.010) 4.366 6.952 ( -4.828 0.000 -9.691) 10.827 7.581 ( -4.153 0.000 7.564) 8.629 7.686 ( 11.598 0.000 -15.196) 19.116 8.070 ( -4.595 0.000 -10.148) 11.140 8.578 ( -1.846 0.000 -2.050) 2.759 8.646 ( -9.466 0.000 3.078) 9.954 8.701 ( 10.291 0.000 11.963) 15.780 8.852 ( -4.191 0.000 0.146) 4.193 8.905 ( -1.218 0.000 -6.086) 6.207 9.581 ( -2.752 0.000 9.381) 9.777 9.910 ( -2.346 0.000 -15.110) 15.291 10.209 ( 2.244 0.000 2.268) 3.191 10.328 ( -8.622 0.000 -0.260) 8.626 10.514 ( 3.309 0.000 7.851) 8.520 10.907 ( 2.710 0.000 -5.186) 5.851 11.171 ( -1.813 0.000 -0.465) 1.871 11.207 ( 6.583 0.000 -6.839) 9.493 11.522 ( -2.278 0.000 0.465) 2.325 11.652 ( -13.537 0.000 -3.637) 14.017 11.837 ( 4.449 0.000 5.876) 7.370 12.658 ( -8.661 0.000 2.205) 8.937 12.809 ( -3.379 0.000 -6.316) 7.163 13.087 ( -2.589 0.000 -2.155) 3.368 13.546 ( 8.478 0.000 -3.887) 9.327 13.556 ( -9.771 0.000 -0.081) 9.771 13.657 ( -10.027 0.000 -4.777) 11.107 13.840 ( 1.230 0.000 -0.857) 1.499 13.997 ( 0.846 0.000 -0.827) 1.183 14.218 ( -1.880 0.000 3.046) 3.580 14.789 ( 12.374 0.000 -10.687) 16.350 14.862 ( 0.369 0.000 -1.825) 1.862 14.974 ( -2.564 0.000 -7.609) 8.030 14.984 ( 3.114 0.000 -5.481) 6.304 15.579 ( 5.909 0.000 12.779) 14.079 15.959 ( 0.103 0.000 3.141) 3.142 16.174 ( 0.037 0.000 -3.258) 3.258 16.543 ( -1.870 0.000 13.362) 13.492 18.325 ( 15.129 0.000 10.036) 18.155 19.740 ( -4.589 0.000 -2.216) 5.096 19.757 ( 2.599 0.000 -5.721) 6.284 20.414 ( -4.340 0.000 -6.790) 8.059 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 8.142 0.000 -8.375) 11.680 1.922 ( 19.656 0.000 11.789) 22.920 2.068 ( -10.005 0.000 -6.946) 12.180 2.536 ( -0.826 0.000 3.668) 3.760 2.698 ( -7.047 0.000 3.354) 7.804 2.877 ( -0.663 0.000 -10.751) 10.771 2.890 ( 0.335 0.000 0.402) 0.524 3.134 ( -3.236 0.000 -4.875) 5.852 3.247 ( 13.622 0.000 3.610) 14.092 3.703 ( 4.397 0.000 -0.967) 4.502 3.881 ( 12.416 0.000 2.703) 12.707 4.072 ( -10.449 0.000 3.881) 11.146 4.212 ( 12.307 0.000 5.432) 13.453 4.712 ( -3.357 0.000 10.299) 10.832 5.857 ( 15.364 0.000 -2.794) 15.616 5.921 ( 21.495 0.000 -1.774) 21.568 6.485 ( 2.243 0.000 0.086) 2.245 6.759 ( 4.399 0.000 -8.431) 9.510 6.759 ( 5.206 0.000 8.402) 9.884 6.888 ( 2.643 0.000 0.779) 2.755 7.368 ( -16.008 0.000 0.319) 16.012 7.879 ( 7.380 0.000 -15.241) 16.934 8.126 ( 10.157 0.000 -12.438) 16.058 8.367 ( -17.714 0.000 -5.712) 18.613 8.481 ( -7.834 0.000 3.944) 8.770 8.808 ( 1.036 0.000 -4.959) 5.066 8.850 ( 1.825 0.000 -1.838) 2.591 8.957 ( 2.945 0.000 2.205) 3.679 9.502 ( -3.551 0.000 5.897) 6.884 9.890 ( 2.539 0.000 -8.381) 8.757 10.027 ( -16.395 0.000 3.369) 16.738 10.395 ( 10.998 0.000 -7.527) 13.327 10.492 ( -5.313 0.000 10.358) 11.641 10.916 ( -1.996 0.000 -5.575) 5.921 11.219 ( 5.066 0.000 4.261) 6.620 11.293 ( 3.042 0.000 1.104) 3.236 11.463 ( -3.549 0.000 6.096) 7.053 11.476 ( -5.393 0.000 0.538) 5.420 11.940 ( 6.505 0.000 3.974) 7.623 12.479 ( -9.572 0.000 1.764) 9.733 12.781 ( 0.858 0.000 -6.149) 6.209 13.040 ( -1.878 0.000 -1.568) 2.446 13.325 ( -12.245 0.000 -0.959) 12.282 13.462 ( -9.698 0.000 0.913) 9.741 13.700 ( 7.041 0.000 -3.264) 7.761 13.864 ( 1.083 0.000 -1.622) 1.950 14.026 ( 1.964 0.000 -0.241) 1.978 14.173 ( -2.662 0.000 2.236) 3.476 14.861 ( -0.333 0.000 -2.201) 2.226 14.921 ( -2.741 0.000 -6.036) 6.629 14.999 ( 6.802 0.000 -19.136) 20.309 15.061 ( 4.818 0.000 -7.158) 8.628 15.731 ( 10.063 0.000 9.980) 14.173 15.958 ( 1.107 0.000 6.385) 6.480 16.161 ( -1.384 0.000 0.946) 1.676 16.469 ( -6.385 0.000 13.631) 15.052 18.666 ( 19.050 0.000 5.449) 19.814 19.606 ( -9.339 0.000 -2.898) 9.778 19.832 ( 5.195 0.000 -8.319) 9.808 20.288 ( -7.919 0.000 -6.560) 10.283 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -1.799 0.000 -11.561) 11.700 1.900 ( -6.022 0.000 -9.342) 11.115 2.266 ( 15.357 0.000 7.450) 17.068 2.522 ( -10.977 0.000 4.777) 11.971 2.685 ( 10.952 0.000 3.563) 11.517 2.850 ( -5.122 0.000 1.136) 5.246 2.920 ( 4.603 0.000 -10.040) 11.045 3.031 ( -6.119 0.000 -8.104) 10.155 3.441 ( 8.440 0.000 2.313) 8.751 3.623 ( -9.824 0.000 0.255) 9.827 4.011 ( 4.707 0.000 4.653) 6.618 4.062 ( 1.378 0.000 5.830) 5.990 4.427 ( 9.900 0.000 7.679) 12.529 4.601 ( -7.683 0.000 9.510) 12.225 6.185 ( 16.686 0.000 -1.216) 16.730 6.348 ( 19.971 0.000 -0.917) 19.992 6.439 ( -7.835 0.000 1.740) 8.026 6.654 ( -11.310 0.000 -0.815) 11.339 6.860 ( 6.705 0.000 -8.101) 10.516 7.056 ( -13.888 0.000 -3.881) 14.420 7.227 ( 26.027 0.000 1.483) 26.070 7.763 ( -24.168 0.000 -8.476) 25.611 8.173 ( 4.238 0.000 -5.845) 7.220 8.319 ( -8.518 0.000 -1.456) 8.641 8.405 ( 16.808 0.000 -19.109) 25.449 8.721 ( -13.652 0.000 -18.749) 23.193 8.872 ( 4.804 0.000 -2.002) 5.204 8.960 ( -3.019 0.000 2.393) 3.853 9.513 ( 5.594 0.000 1.716) 5.851 9.714 ( -14.218 0.000 1.404) 14.288 10.055 ( 13.031 0.000 8.034) 15.308 10.317 ( -12.152 0.000 11.831) 16.960 10.627 ( 11.737 0.000 -6.141) 13.246 10.822 ( -7.645 0.000 -5.575) 9.461 11.317 ( 4.471 0.000 7.512) 8.742 11.347 ( 2.703 0.000 4.262) 5.047 11.393 ( -3.564 0.000 8.871) 9.560 11.402 ( -2.953 0.000 4.111) 5.062 12.095 ( 9.188 0.000 1.478) 9.306 12.286 ( -10.081 0.000 1.164) 10.148 12.842 ( 5.340 0.000 -7.915) 9.548 12.974 ( -6.598 0.000 -7.692) 10.134 13.183 ( 0.371 0.000 5.713) 5.725 13.285 ( -8.039 0.000 4.466) 9.197 13.815 ( 4.523 0.000 -2.602) 5.218 13.869 ( -1.002 0.000 -2.103) 2.329 14.068 ( 2.346 0.000 0.350) 2.372 14.119 ( -2.796 0.000 1.209) 3.046 14.857 ( 0.182 0.000 -3.061) 3.067 14.875 ( -1.704 0.000 -4.416) 4.733 15.081 ( 2.855 0.000 -16.250) 16.499 15.114 ( -0.052 0.000 -13.973) 13.973 15.952 ( 9.903 0.000 2.262) 10.158 16.009 ( 3.112 0.000 4.061) 5.116 16.133 ( 0.649 0.000 10.957) 10.977 16.292 ( -11.107 0.000 14.560) 18.313 19.041 ( 18.654 0.000 1.041) 18.683 19.371 ( -14.721 0.000 -1.922) 14.846 19.959 ( 7.629 0.000 -8.921) 11.739 20.122 ( -8.760 0.000 -7.862) 11.770 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.000 20.723 22.006) 30.228 1.032 ( 0.000 26.110 19.508) 32.593 1.715 ( 0.000 30.029 40.600) 50.499 2.310 ( 0.000 -4.941 -2.202) 5.410 2.658 ( 0.000 -6.613 7.807) 10.231 2.937 ( 0.000 -0.309 -13.418) 13.422 3.113 ( 0.000 -6.103 0.853) 6.163 3.156 ( 0.000 -5.832 -13.317) 14.538 3.381 ( 0.000 8.319 -1.924) 8.539 3.432 ( 0.000 16.182 -9.462) 18.746 3.507 ( 0.000 -9.350 -3.268) 9.904 4.181 ( 0.000 35.058 -17.375) 39.128 4.543 ( 0.000 -9.540 -2.576) 9.881 4.687 ( 0.000 -0.353 10.143) 10.150 5.664 ( 0.000 -8.592 7.561) 11.445 5.823 ( 0.000 -6.283 -2.980) 6.954 5.851 ( 0.000 -5.689 19.321) 20.141 6.201 ( 0.000 11.005 -16.456) 19.797 6.806 ( 0.000 18.682 5.552) 19.490 7.049 ( 0.000 -6.089 7.316) 9.519 7.195 ( 0.000 -6.896 -14.009) 15.614 7.584 ( 0.000 0.310 20.343) 20.346 8.264 ( 0.000 -13.261 -8.995) 16.024 8.464 ( 0.000 5.767 -0.565) 5.794 8.588 ( 0.000 15.309 0.204) 15.310 8.826 ( 0.000 -4.215 -2.403) 4.852 9.110 ( 0.000 -0.995 -14.214) 14.249 9.217 ( 0.000 -1.426 1.940) 2.408 9.642 ( 0.000 -7.836 8.077) 11.253 9.996 ( 0.000 1.128 2.166) 2.442 10.170 ( 0.000 -8.746 4.979) 10.064 10.194 ( 0.000 -4.895 16.656) 17.360 10.532 ( 0.000 4.060 4.964) 6.413 10.563 ( 0.000 10.921 -5.552) 12.251 10.913 ( 0.000 -1.951 -11.442) 11.607 11.399 ( 0.000 -10.610 4.970) 11.716 11.519 ( 0.000 8.700 -1.443) 8.818 11.747 ( 0.000 7.489 -1.088) 7.568 12.541 ( 0.000 7.645 -20.531) 21.908 12.776 ( 0.000 -14.719 -11.235) 18.517 12.942 ( 0.000 3.037 -2.058) 3.669 13.085 ( 0.000 4.819 -1.579) 5.071 13.212 ( 0.000 -5.499 -7.956) 9.671 13.590 ( 0.000 -1.510 5.738) 5.933 13.849 ( 0.000 -1.264 -10.091) 10.170 13.900 ( 0.000 -6.616 -2.127) 6.949 14.075 ( 0.000 12.676 -6.309) 14.159 14.324 ( 0.000 7.996 7.758) 11.141 14.748 ( 0.000 -5.530 0.103) 5.531 14.896 ( 0.000 1.807 -5.231) 5.534 14.924 ( 0.000 2.960 -9.579) 10.025 15.057 ( 0.000 2.019 -8.189) 8.434 15.447 ( 0.000 4.037 11.473) 12.162 15.809 ( 0.000 9.783 -1.418) 9.885 16.009 ( 0.000 -5.931 -2.467) 6.424 16.564 ( 0.000 -11.559 15.124) 19.035 18.140 ( 0.000 10.535 12.650) 16.462 19.612 ( 0.000 -36.041 28.306) 45.828 19.718 ( 0.000 -0.302 -1.153) 1.192 19.803 ( 0.000 -2.576 0.962) 2.749 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 18.581 14.229 16.827) 28.825 1.263 ( 14.893 17.133 22.948) 32.279 2.049 ( 30.047 21.241 21.708) 42.723 2.298 ( -1.073 -6.181 -2.944) 6.930 2.641 ( -1.453 -6.613 8.405) 10.793 2.915 ( -2.313 -1.879 -11.227) 11.616 3.025 ( -6.259 -0.930 -0.046) 6.328 3.193 ( 0.715 -4.925 -9.177) 10.440 3.319 ( -7.091 10.290 -7.194) 14.419 3.439 ( 4.779 7.103 -2.656) 8.964 3.556 ( 2.315 -2.420 -4.432) 5.555 4.157 ( 1.182 33.030 -7.952) 33.995 4.470 ( -7.727 -8.595 -2.729) 11.875 4.722 ( 3.716 1.674 10.630) 11.384 5.438 ( -5.365 -5.845 15.026) 16.992 5.646 ( -4.128 3.174 3.538) 6.295 6.280 ( 17.744 -2.665 -4.129) 18.412 6.331 ( 9.277 -0.933 -4.328) 10.279 6.798 ( -1.126 14.942 3.666) 15.426 6.982 ( -3.721 -3.128 -2.008) 5.259 7.352 ( 11.965 -7.889 -11.096) 18.125 7.612 ( 2.690 1.062 16.784) 17.032 8.174 ( -7.070 -7.253 -8.623) 13.302 8.500 ( 4.146 2.416 2.921) 5.617 8.642 ( 2.058 7.285 2.885) 8.101 8.834 ( 0.870 -0.746 -1.734) 2.078 8.988 ( -9.843 0.779 -6.689) 11.926 9.099 ( -10.518 4.578 2.190) 11.679 9.572 ( -0.262 -1.106 5.300) 5.421 9.968 ( -2.746 1.040 -4.034) 4.990 10.172 ( -1.334 -3.797 10.366) 11.120 10.306 ( 7.775 -6.580 1.152) 10.250 10.530 ( 0.497 4.293 6.242) 7.592 10.679 ( 7.592 -3.573 -3.307) 9.019 10.952 ( 2.277 -4.459 -11.209) 12.277 11.315 ( -5.228 -4.318 1.345) 6.913 11.567 ( 1.834 4.799 0.234) 5.142 11.758 ( 0.538 6.005 3.083) 6.772 12.271 ( -18.887 13.421 -15.600) 27.932 12.746 ( -2.437 -11.578 -9.517) 15.184 12.887 ( -6.438 6.025 0.281) 8.822 13.037 ( -0.741 -5.362 -2.832) 6.109 13.369 ( 7.811 -3.380 -4.942) 9.842 13.576 ( -1.002 -1.657 3.104) 3.659 13.754 ( -7.742 -3.989 -7.148) 11.267 13.945 ( 2.033 -3.182 -3.848) 5.391 14.058 ( -1.788 11.778 -4.833) 12.857 14.315 ( -1.784 6.732 5.291) 8.746 14.679 ( 0.340 1.654 -2.586) 3.089 14.877 ( 0.682 3.057 -2.996) 4.334 14.948 ( 0.560 0.720 -8.114) 8.165 15.059 ( -0.136 3.442 -6.236) 7.124 15.501 ( 3.677 1.672 13.198) 13.803 15.900 ( 4.560 0.985 -1.905) 5.039 16.065 ( 3.723 -6.299 -3.632) 8.169 16.497 ( -3.730 -8.931 15.895) 18.610 18.209 ( 7.232 9.891 11.859) 17.052 19.711 ( 1.321 -3.132 -1.765) 3.829 19.777 ( -0.287 -2.911 -0.864) 3.050 19.903 ( 15.363 -31.708 8.904) 36.342 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 12.303 6.533 15.958) 21.183 1.613 ( 23.640 4.525 12.329) 27.043 2.215 ( -5.875 -5.869 -6.567) 10.587 2.476 ( 0.325 -4.522 2.798) 5.327 2.734 ( 10.286 0.409 0.682) 10.317 2.860 ( -1.180 -3.017 -5.983) 6.803 2.970 ( 4.254 7.182 7.232) 11.045 3.137 ( -5.154 3.172 -4.192) 7.362 3.232 ( -0.052 8.027 -7.218) 10.796 3.567 ( 7.313 3.331 -1.474) 8.170 3.599 ( 3.856 -4.279 -1.647) 5.990 4.221 ( -7.849 -0.926 -1.028) 7.970 4.319 ( 5.003 21.896 0.417) 22.464 4.820 ( 5.640 6.379 10.902) 13.833 5.528 ( 12.328 -4.469 5.557) 14.242 5.660 ( 6.269 2.143 0.420) 6.638 6.457 ( 5.830 1.347 -3.343) 6.854 6.592 ( 12.386 2.857 2.972) 13.054 6.774 ( 0.389 3.620 -4.481) 5.774 6.932 ( -1.900 5.202 0.122) 5.540 7.566 ( 7.104 -7.302 -11.608) 15.444 7.678 ( 4.383 3.495 7.498) 9.362 8.059 ( -3.023 -2.028 -7.461) 8.301 8.569 ( -1.903 -2.377 2.000) 3.643 8.597 ( -5.194 -0.470 1.256) 5.365 8.783 ( -4.796 1.149 1.101) 5.053 8.842 ( -5.087 -0.009 -0.534) 5.115 8.991 ( 1.400 8.444 1.016) 8.619 9.583 ( -0.667 1.314 5.251) 5.454 9.911 ( -2.597 -0.243 -12.273) 12.547 10.178 ( 2.094 -2.575 2.884) 4.397 10.328 ( -5.000 0.534 -2.545) 5.636 10.580 ( 2.488 4.846 8.509) 10.103 10.806 ( 5.030 -8.066 -1.240) 9.587 10.968 ( 1.522 -10.391 -7.186) 12.725 11.252 ( -1.445 -4.703 2.796) 5.660 11.553 ( -3.027 5.917 -0.762) 6.690 11.723 ( -4.691 6.828 5.908) 10.176 12.029 ( -4.076 13.334 -8.292) 16.223 12.679 ( -4.951 -4.590 -4.508) 8.118 12.753 ( -5.658 1.525 -1.071) 5.957 13.009 ( -2.112 -6.305 -0.319) 6.657 13.410 ( -4.343 -9.464 0.808) 10.445 13.544 ( -11.050 -7.367 -5.334) 14.312 13.627 ( 4.839 5.125 -3.160) 7.725 13.966 ( 0.180 2.325 -3.699) 4.372 14.029 ( -0.439 6.710 -1.069) 6.809 14.259 ( -3.247 3.582 3.505) 5.972 14.794 ( 7.230 0.607 -7.908) 10.732 14.912 ( 3.349 3.714 -4.488) 6.719 14.961 ( 0.835 1.008 -11.137) 11.213 15.052 ( -0.132 4.083 -4.229) 5.880 15.586 ( 5.315 0.619 12.608) 13.697 15.942 ( 0.224 -1.217 4.404) 4.575 16.096 ( 0.446 -6.948 -2.047) 7.257 16.464 ( -0.996 -6.909 13.816) 15.480 18.420 ( 14.018 8.516 8.943) 18.681 19.732 ( -4.070 -0.755 -2.468) 4.819 19.741 ( 2.167 -1.653 -5.632) 6.256 20.101 ( 4.137 -24.883 -1.067) 25.247 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.711 -4.762 6.287) 9.187 1.956 ( 0.210 -2.861 0.555) 2.922 2.143 ( 9.707 -1.437 -1.369) 9.908 2.459 ( 2.326 2.288 5.817) 6.669 2.750 ( -2.097 -1.266 -3.274) 4.089 2.851 ( -1.147 -3.587 -0.493) 3.799 2.951 ( -4.914 7.359 -5.766) 10.562 3.099 ( -2.737 -3.061 -5.659) 6.992 3.335 ( 6.474 6.886 0.141) 9.452 3.662 ( 2.979 -3.683 -1.056) 4.854 3.758 ( 7.643 -6.835 2.685) 10.599 3.967 ( -12.196 -6.798 3.039) 14.290 4.549 ( 13.795 26.998 3.984) 30.579 4.912 ( 3.001 14.726 11.132) 18.703 5.853 ( 19.267 -6.087 -0.321) 20.208 5.874 ( 14.449 1.340 -2.976) 14.813 6.546 ( 0.548 1.948 -6.911) 7.201 6.736 ( 6.710 7.058 6.219) 11.555 6.891 ( 0.184 3.900 2.798) 4.803 6.914 ( 10.345 6.127 -8.665) 14.820 7.523 ( -8.909 10.770 3.166) 14.332 7.806 ( 6.505 -5.885 -12.649) 15.393 8.124 ( 8.975 -0.379 -10.282) 13.654 8.374 ( -16.996 -0.150 -3.780) 17.412 8.446 ( -7.532 -2.468 0.933) 7.980 8.716 ( -1.021 -7.454 -7.339) 10.510 8.848 ( 0.974 0.613 2.404) 2.666 9.011 ( -1.186 2.436 2.973) 4.022 9.543 ( -1.926 4.498 -0.328) 4.904 9.901 ( 2.400 1.459 -3.212) 4.267 10.078 ( -12.208 4.197 0.571) 12.922 10.352 ( 8.719 -3.107 -4.956) 10.499 10.548 ( -5.749 4.421 10.086) 12.423 10.822 ( -2.708 -7.456 -4.108) 8.933 11.092 ( 8.905 -11.062 0.814) 14.225 11.239 ( 0.097 -7.930 5.226) 9.497 11.490 ( -2.234 8.607 0.790) 8.927 11.622 ( -4.775 9.373 7.835) 13.116 12.050 ( 4.283 9.089 -2.569) 10.371 12.527 ( -9.532 3.647 -0.818) 10.239 12.721 ( 1.587 -5.207 -3.936) 6.717 12.973 ( -0.951 -5.955 0.367) 6.042 13.240 ( -12.183 -7.357 -0.434) 14.239 13.324 ( -9.436 -9.868 -1.679) 13.756 13.760 ( 6.996 4.687 -2.175) 8.697 13.963 ( -0.208 6.135 -2.837) 6.762 14.043 ( 1.524 1.930 0.023) 2.459 14.194 ( -3.406 1.821 2.361) 4.527 14.859 ( 0.857 0.123 -4.068) 4.160 14.929 ( -1.696 0.945 -6.980) 7.245 15.030 ( 3.423 2.106 -16.112) 16.605 15.081 ( 3.251 1.830 -7.407) 8.293 15.727 ( 9.638 -0.262 9.432) 13.488 15.950 ( 1.495 -0.376 7.449) 7.607 16.101 ( -0.226 -5.358 1.561) 5.585 16.406 ( -5.564 -5.625 13.243) 15.426 18.737 ( 17.773 6.574 4.693) 19.522 19.610 ( -8.556 0.430 -3.208) 9.148 19.801 ( 4.010 -2.907 -8.039) 9.443 20.101 ( -3.122 -16.081 -4.484) 16.984 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 1.768 -6.172 -1.531) 6.600 1.822 ( -6.824 -5.168 -3.593) 9.284 2.416 ( 12.152 4.797 1.574) 13.159 2.554 ( 2.000 -0.526 5.608) 5.977 2.694 ( -0.405 3.429 0.508) 3.490 2.790 ( -5.263 -3.889 2.665) 7.066 2.931 ( 2.914 1.497 -9.480) 10.030 3.018 ( -5.012 -1.195 -8.018) 9.531 3.445 ( 6.137 1.089 0.491) 6.253 3.597 ( -8.701 -1.971 -0.785) 8.956 3.823 ( 2.256 -11.125 4.530) 12.222 3.864 ( -1.360 -11.535 6.275) 13.202 4.790 ( 9.759 25.815 5.848) 28.211 4.915 ( -3.002 22.425 8.842) 24.291 6.150 ( 12.390 -4.566 -2.285) 13.401 6.206 ( 12.310 -10.394 -0.052) 16.111 6.493 ( -1.577 5.559 -4.436) 7.284 6.656 ( -11.949 7.746 1.920) 14.369 7.116 ( 9.535 15.827 -7.056) 19.779 7.177 ( 19.805 4.669 -4.855) 20.919 7.349 ( -2.984 13.745 1.075) 14.106 7.743 ( -20.398 -2.224 -10.894) 23.231 8.122 ( 1.380 -4.081 -4.552) 6.267 8.244 ( -6.134 -6.230 -1.047) 8.805 8.424 ( 12.094 1.422 -16.271) 20.323 8.672 ( -8.792 -4.365 -13.051) 16.330 8.835 ( 2.626 -3.095 -2.957) 5.022 8.938 ( -5.691 -2.564 3.005) 6.928 9.577 ( 6.244 6.305 -0.980) 8.927 9.773 ( -12.806 5.700 1.137) 14.063 10.099 ( 12.298 3.713 7.167) 14.710 10.359 ( -12.463 3.547 11.583) 17.380 10.554 ( 10.117 -6.053 -3.449) 12.283 10.726 ( -7.053 -7.608 -3.598) 10.981 11.223 ( 3.638 -10.330 4.226) 11.739 11.250 ( 0.369 -9.858 5.510) 11.300 11.486 ( 1.878 11.613 4.821) 12.713 11.543 ( -3.457 11.332 7.981) 14.285 12.166 ( 7.460 6.141 -1.471) 9.774 12.335 ( -9.615 4.312 -0.892) 10.576 12.797 ( 6.133 -4.466 -6.085) 9.725 12.943 ( -6.262 -2.933 -7.155) 9.950 13.061 ( -0.605 -10.384 5.664) 11.844 13.158 ( -7.579 -10.053 3.239) 13.000 13.881 ( 5.121 5.136 -1.712) 7.452 13.949 ( -1.764 5.993 -1.921) 6.536 14.079 ( 2.093 0.848 0.233) 2.271 14.129 ( -3.096 0.911 1.170) 3.433 14.869 ( 0.636 1.157 -3.685) 3.914 14.892 ( -1.735 1.581 -4.764) 5.311 15.078 ( 2.125 -0.419 -14.624) 14.784 15.110 ( -0.645 -0.481 -13.541) 13.565 15.940 ( 9.678 -0.967 2.836) 10.131 15.999 ( 2.515 -0.842 4.363) 5.106 16.094 ( 1.281 -3.440 10.556) 11.176 16.247 ( -10.256 -4.059 13.564) 17.482 19.086 ( 17.374 4.299 0.501) 17.905 19.393 ( -13.635 2.135 -2.325) 13.996 19.896 ( 5.579 -5.644 -8.383) 11.544 20.009 ( -5.681 -9.928 -6.881) 13.349 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.000 21.331 9.071) 23.180 1.627 ( 0.000 27.301 7.342) 28.271 2.137 ( 0.000 -7.086 -4.541) 8.416 2.234 ( 0.000 13.400 18.328) 22.704 2.550 ( 0.000 -8.495 9.836) 12.997 2.742 ( 0.000 -15.971 -6.150) 17.114 3.074 ( 0.000 -0.435 -4.928) 4.947 3.089 ( 0.000 0.683 -9.894) 9.918 3.440 ( 0.000 7.318 -0.396) 7.329 3.633 ( 0.000 14.224 -2.460) 14.435 3.682 ( 0.000 6.041 -8.705) 10.596 4.285 ( 0.000 -14.308 -3.688) 14.776 4.693 ( 0.000 1.679 13.568) 13.671 4.723 ( 0.000 13.781 -6.173) 15.100 5.427 ( 0.000 -5.211 6.387) 8.243 5.670 ( 0.000 -7.944 -4.056) 8.920 6.029 ( 0.000 15.164 10.259) 18.308 6.452 ( 0.000 12.278 -13.083) 17.942 6.802 ( 0.000 -14.690 7.090) 16.311 6.996 ( 0.000 -11.461 -12.384) 16.874 7.383 ( 0.000 30.561 5.657) 31.080 7.617 ( 0.000 3.712 11.715) 12.289 7.952 ( 0.000 -13.641 -0.253) 13.643 8.545 ( 0.000 -16.738 3.354) 17.071 8.628 ( 0.000 9.150 -1.843) 9.334 8.904 ( 0.000 4.917 -4.936) 6.967 9.071 ( 0.000 -0.512 -6.214) 6.235 9.186 ( 0.000 -1.562 4.282) 4.558 9.586 ( 0.000 1.626 2.113) 2.666 9.904 ( 0.000 -10.673 1.568) 10.787 10.034 ( 0.000 -1.778 5.286) 5.577 10.080 ( 0.000 -4.840 12.796) 13.681 10.675 ( 0.000 9.095 5.756) 10.763 10.718 ( 0.000 5.019 -5.302) 7.300 10.865 ( 0.000 -2.495 -10.210) 10.511 11.153 ( 0.000 -12.264 6.615) 13.934 11.749 ( 0.000 12.613 -2.343) 12.829 11.973 ( 0.000 13.236 -1.361) 13.306 12.386 ( 0.000 -16.580 -5.839) 17.578 12.541 ( 0.000 -9.679 -9.764) 13.748 12.997 ( 0.000 2.503 -8.200) 8.573 13.128 ( 0.000 -3.058 -11.034) 11.450 13.253 ( 0.000 10.098 3.631) 10.731 13.592 ( 0.000 -1.077 6.281) 6.372 13.764 ( 0.000 -4.573 -7.957) 9.177 13.810 ( 0.000 -2.310 -9.905) 10.171 14.292 ( 0.000 8.404 -3.576) 9.134 14.598 ( 0.000 15.576 -1.180) 15.620 14.615 ( 0.000 -6.906 -0.082) 6.907 14.923 ( 0.000 0.412 -7.625) 7.637 14.986 ( 0.000 2.541 -10.085) 10.401 15.085 ( 0.000 -0.197 -8.945) 8.947 15.537 ( 0.000 4.803 12.707) 13.585 15.838 ( 0.000 -9.466 -0.479) 9.478 15.943 ( 0.000 4.162 2.442) 4.825 16.290 ( 0.000 -12.878 18.539) 22.573 18.405 ( 0.000 13.631 10.722) 17.343 19.048 ( 0.000 -19.247 20.397) 28.044 19.715 ( 0.000 0.109 -1.153) 1.159 19.761 ( 0.000 -1.910 -0.550) 1.987 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 6.084 15.947 9.130) 19.356 1.712 ( 4.602 21.684 13.108) 25.752 2.097 ( -3.359 -8.193 -1.542) 8.988 2.419 ( 14.011 8.213 6.930) 17.658 2.528 ( 0.248 -8.134 8.048) 11.446 2.750 ( 0.071 -10.613 -6.882) 12.649 3.019 ( -3.242 -1.879 -3.048) 4.830 3.120 ( 0.565 -1.541 -7.727) 7.900 3.443 ( 0.843 10.837 -1.186) 10.934 3.651 ( 1.604 12.343 -2.435) 12.683 3.689 ( 0.255 6.521 -8.462) 10.687 4.222 ( -6.198 -12.581 -3.264) 14.400 4.741 ( 5.858 9.912 3.356) 11.992 4.791 ( 6.226 10.896 1.899) 12.692 5.336 ( -1.906 -0.341 10.565) 10.741 5.665 ( -2.157 -3.557 1.035) 4.287 6.180 ( 13.520 3.761 7.381) 15.856 6.534 ( 6.774 11.738 -12.316) 18.312 6.739 ( -4.261 -12.388 0.312) 13.104 7.118 ( 9.993 -13.412 -10.256) 19.620 7.387 ( 0.119 29.852 4.881) 30.249 7.647 ( 3.281 2.954 9.645) 10.608 7.952 ( 0.400 -10.596 -0.703) 10.626 8.525 ( -1.724 -14.941 2.420) 15.233 8.630 ( -0.342 7.400 -0.491) 7.424 8.913 ( -1.556 -0.436 -4.855) 5.117 8.973 ( -7.412 3.688 -0.265) 8.283 9.157 ( -2.674 -0.846 6.814) 7.368 9.616 ( 3.766 5.708 -0.837) 6.890 9.950 ( -1.682 -3.894 -2.617) 4.984 10.074 ( 2.914 -4.770 5.838) 8.082 10.132 ( 10.199 -7.162 4.025) 13.096 10.604 ( -4.815 4.502 -1.178) 6.697 10.738 ( 1.020 6.183 3.606) 7.230 10.857 ( -2.050 -4.561 -7.888) 9.340 11.121 ( -2.704 -11.109 5.803) 12.822 11.765 ( 1.046 12.090 -2.175) 12.329 11.963 ( -1.197 12.325 0.915) 12.417 12.338 ( -5.176 -8.908 -6.735) 12.309 12.491 ( -3.249 -9.978 -9.014) 13.833 12.964 ( -3.191 0.472 -5.070) 6.009 13.034 ( -6.574 4.750 -6.851) 10.617 13.288 ( -0.244 -1.267 1.758) 2.180 13.544 ( -5.405 -5.409 1.098) 7.726 13.707 ( -1.663 2.107 -7.434) 7.903 13.874 ( 3.836 -3.552 -6.112) 8.043 14.262 ( -2.874 7.925 -2.929) 8.924 14.461 ( -7.607 2.866 1.257) 8.225 14.725 ( 5.888 5.412 -4.901) 9.380 14.931 ( 0.344 -0.234 -8.485) 8.495 14.992 ( 1.909 4.629 -9.470) 10.712 15.120 ( 1.953 1.560 -6.762) 7.209 15.556 ( 1.799 3.472 12.582) 13.176 15.844 ( 1.145 -8.906 -0.036) 8.979 15.962 ( 0.794 0.981 4.649) 4.817 16.274 ( -0.534 -11.059 17.090) 20.363 18.472 ( 6.887 14.252 9.863) 18.650 19.229 ( 14.874 -24.064 12.940) 31.109 19.721 ( 0.632 -0.283 -2.031) 2.146 19.755 ( -0.770 -1.681 -1.249) 2.231 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 9.107 5.995 13.584) 17.418 1.784 ( 5.489 11.623 8.342) 15.324 2.012 ( -5.396 -7.218 0.954) 9.062 2.446 ( -2.107 -8.170 10.443) 13.426 2.730 ( 4.064 1.852 -7.736) 8.932 2.760 ( 5.338 -4.946 -6.783) 9.948 2.959 ( -1.934 -5.565 0.791) 5.944 3.102 ( -2.146 -3.308 -4.643) 6.091 3.488 ( 2.705 13.649 -2.511) 14.139 3.666 ( -2.205 6.355 -6.927) 9.655 3.689 ( 1.876 7.608 -1.032) 7.904 4.057 ( -10.218 -8.868 -1.984) 13.674 4.933 ( 9.478 21.860 -2.355) 23.942 4.959 ( 14.570 9.373 8.319) 19.218 5.427 ( 9.929 -2.347 8.426) 13.233 5.699 ( 7.243 0.394 3.022) 7.858 6.435 ( 11.251 -0.589 3.619) 11.834 6.672 ( 0.629 -7.971 -1.308) 8.102 6.727 ( 11.429 8.544 -11.961) 18.620 7.325 ( 10.403 -13.504 -11.519) 20.574 7.364 ( -3.225 26.284 2.884) 26.638 7.747 ( 6.361 2.399 8.294) 10.724 7.990 ( 3.998 -2.996 -1.895) 5.344 8.464 ( -4.982 -11.470 2.452) 12.743 8.582 ( -5.561 1.879 -4.084) 7.151 8.729 ( -12.168 -3.908 -7.740) 14.941 8.917 ( -1.653 5.483 9.973) 11.500 9.104 ( -3.119 0.155 8.173) 8.749 9.698 ( 2.801 9.047 -6.574) 11.529 9.892 ( -1.621 -1.436 -9.138) 9.391 10.134 ( 4.175 -0.360 3.945) 5.756 10.342 ( 4.193 -0.806 -4.594) 6.272 10.568 ( 4.766 -5.925 4.304) 8.737 10.727 ( -3.321 -1.734 -0.720) 3.815 10.788 ( -3.386 -2.601 2.753) 5.080 11.065 ( -3.060 -10.055 6.142) 12.173 11.767 ( -0.953 12.539 -2.753) 12.873 11.918 ( -3.232 11.076 3.814) 12.152 12.238 ( -2.938 3.275 -7.848) 8.998 12.458 ( -0.304 -12.228 -4.976) 13.205 12.885 ( -7.440 4.554 -4.379) 9.761 12.891 ( -5.210 -0.125 0.845) 5.280 13.214 ( -6.545 -7.990 1.053) 10.382 13.365 ( -12.162 -9.136 -4.853) 15.967 13.750 ( 5.155 6.020 -3.285) 8.579 13.946 ( 3.584 -2.501 -3.697) 5.724 14.195 ( -3.530 6.991 -1.615) 7.996 14.331 ( -5.626 1.865 2.067) 6.277 14.827 ( 4.023 2.784 -7.609) 9.047 14.939 ( 0.653 -0.555 -10.194) 10.230 15.053 ( 3.248 5.762 -10.304) 12.244 15.130 ( -0.725 2.790 -4.552) 5.388 15.609 ( 4.008 1.920 10.612) 11.505 15.887 ( 3.025 -8.620 0.634) 9.158 15.964 ( 0.042 1.020 9.473) 9.528 16.279 ( 0.210 -9.880 14.011) 17.145 18.665 ( 12.468 14.345 6.984) 20.248 19.497 ( 10.966 -24.369 2.705) 26.859 19.717 ( -2.571 -0.515 -3.136) 4.088 19.744 ( 1.008 -2.796 -3.170) 4.345 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -0.295 6.855 11.103) 13.052 1.891 ( -6.269 -1.211 3.024) 7.064 2.016 ( 13.935 -6.169 4.314) 15.838 2.423 ( -0.543 -12.823 8.853) 15.592 2.757 ( 1.876 2.322 -5.068) 5.882 2.810 ( 0.016 3.902 -3.639) 5.335 2.963 ( 0.616 -7.797 -3.349) 8.508 3.049 ( -3.166 -1.869 -4.066) 5.482 3.493 ( -1.339 8.040 -3.189) 8.752 3.621 ( -2.212 1.449 -3.341) 4.261 3.708 ( -1.063 0.905 1.069) 1.758 3.847 ( -10.322 -4.785 0.219) 11.379 5.130 ( 10.864 20.090 2.208) 22.946 5.262 ( 13.068 21.111 8.064) 26.105 5.679 ( 15.036 -8.985 2.726) 17.727 5.898 ( 10.416 -0.721 -1.754) 10.587 6.613 ( 4.397 4.466 -7.966) 10.135 6.769 ( 15.529 -1.582 2.108) 15.751 7.015 ( 13.674 5.561 -10.688) 18.224 7.252 ( -6.476 22.562 3.969) 23.806 7.519 ( 9.460 -11.115 -11.607) 18.648 7.820 ( -1.490 4.928 6.600) 8.371 8.108 ( 6.571 0.195 -3.130) 7.281 8.349 ( -12.402 -0.694 -3.831) 12.999 8.394 ( -5.385 -3.822 -3.384) 7.420 8.540 ( -5.572 -8.270 -9.886) 14.042 8.874 ( -3.771 1.974 4.719) 6.355 9.009 ( -6.893 -2.520 7.493) 10.489 9.703 ( 0.168 9.595 -11.058) 14.642 9.948 ( 6.170 1.546 -3.507) 7.264 10.173 ( -4.224 4.820 0.862) 6.466 10.330 ( 2.300 3.335 0.388) 4.070 10.624 ( -7.121 -6.781 -1.716) 9.982 10.659 ( -3.004 0.842 8.428) 8.987 10.809 ( 8.058 -14.271 5.236) 17.205 11.006 ( -2.545 -11.878 7.382) 14.215 11.756 ( 0.686 14.754 -1.616) 14.858 11.864 ( -1.613 13.051 4.623) 13.939 12.240 ( 2.322 6.083 -6.263) 9.034 12.467 ( 0.561 -10.915 -4.063) 11.660 12.713 ( -7.897 6.140 -1.499) 10.114 12.824 ( -2.262 -6.199 4.109) 7.774 13.055 ( -9.908 -9.118 0.465) 13.473 13.114 ( -11.918 -9.433 -5.309) 16.100 13.870 ( 6.528 5.275 -1.626) 8.549 14.013 ( 3.251 -0.637 -2.590) 4.205 14.137 ( -2.397 5.325 -0.429) 5.855 14.233 ( -4.598 1.179 1.785) 5.072 14.880 ( 1.755 1.999 -6.547) 7.067 14.952 ( 0.344 0.569 -9.657) 9.680 15.067 ( -1.452 1.533 -9.200) 9.440 15.119 ( -0.662 0.955 -8.838) 8.914 15.733 ( 8.819 1.465 7.676) 11.783 15.947 ( 2.669 -4.953 2.878) 6.320 15.981 ( 1.572 0.255 9.752) 9.881 16.251 ( -3.507 -8.373 12.256) 15.252 18.938 ( 14.819 12.290 2.941) 19.476 19.626 ( -4.889 -0.705 -4.054) 6.390 19.653 ( 3.708 -15.004 -3.789) 15.913 19.766 ( 0.740 -7.364 -4.270) 8.545 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 1.174 5.647 6.403) 8.618 1.781 ( -4.501 3.178 4.066) 6.848 2.258 ( 10.001 -13.848 4.947) 17.783 2.391 ( -3.684 -16.721 6.604) 18.352 2.801 ( 2.325 6.333 -2.192) 7.094 2.824 ( 0.687 4.036 -1.526) 4.369 2.957 ( -0.382 -1.822 -5.122) 5.450 2.985 ( -2.943 -1.149 -6.085) 6.856 3.494 ( 1.954 3.474 -2.047) 4.480 3.564 ( -4.195 -0.158 -1.748) 4.547 3.659 ( -1.373 -4.109 2.701) 5.105 3.698 ( -4.708 -4.265 3.379) 7.195 5.323 ( 7.851 21.194 3.661) 22.896 5.400 ( 0.905 22.439 6.802) 23.465 5.948 ( 10.355 -11.761 0.322) 15.673 6.033 ( 2.055 -8.103 -1.546) 8.501 6.708 ( 8.464 14.292 -5.654) 17.546 6.943 ( -12.912 16.666 -2.534) 21.234 7.228 ( 25.637 0.051 -5.522) 26.225 7.385 ( 13.316 6.082 -5.743) 15.726 7.631 ( -3.482 7.357 -6.311) 10.299 7.680 ( -11.226 -0.128 -8.628) 14.160 8.040 ( -9.172 -3.197 -2.420) 10.010 8.102 ( -7.484 -5.521 -3.713) 10.014 8.465 ( 9.021 2.442 -10.211) 13.842 8.560 ( 3.730 -5.013 -2.887) 6.883 8.765 ( -4.911 -2.990 -4.226) 7.135 8.844 ( -9.156 -5.847 4.782) 11.870 9.774 ( 7.099 11.579 -4.390) 14.274 9.951 ( -9.448 10.667 0.253) 14.252 10.168 ( 10.221 0.343 -0.048) 10.226 10.401 ( -8.167 -3.666 5.465) 10.489 10.462 ( 2.185 1.191 3.762) 4.511 10.572 ( -5.219 -3.043 5.678) 8.291 10.935 ( 3.691 -15.879 5.944) 17.352 10.973 ( -1.110 -14.695 7.405) 16.493 11.801 ( 3.361 17.083 1.623) 17.486 11.848 ( -0.993 16.563 4.023) 17.073 12.306 ( 4.401 4.775 -5.729) 8.659 12.415 ( -6.040 -0.539 -5.922) 8.476 12.669 ( 4.248 -4.633 0.247) 6.291 12.806 ( -3.888 -11.300 6.298) 13.508 12.853 ( -4.157 -5.458 -4.831) 8.391 12.935 ( -7.179 -9.914 -0.001) 12.240 13.991 ( 5.525 4.636 -0.842) 7.261 14.061 ( 0.099 3.250 -1.864) 3.748 14.100 ( -0.225 1.565 0.344) 1.618 14.149 ( -3.820 0.705 0.872) 3.981 14.910 ( 1.540 2.730 -5.463) 6.299 14.941 ( -1.417 2.958 -6.211) 7.024 15.054 ( 0.724 -1.940 -10.943) 11.138 15.087 ( -2.198 -1.869 -11.403) 11.763 15.924 ( 8.922 -0.269 4.399) 9.951 15.983 ( 0.784 -0.941 4.527) 4.690 16.015 ( 2.411 -2.649 9.809) 10.442 16.139 ( -7.682 -5.537 11.016) 14.527 19.223 ( 13.877 8.562 -0.914) 16.332 19.464 ( -10.549 4.606 -3.410) 12.005 19.725 ( 2.772 -11.962 -6.161) 13.738 19.763 ( -1.105 -10.102 -5.555) 11.582 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 -11.610 -2.924) 11.972 1.833 ( 0.000 11.610 -2.924) 11.972 2.296 ( 0.000 -20.162 8.462) 21.866 2.296 ( 0.000 20.162 8.462) 21.866 2.374 ( 0.000 -2.586 4.658) 5.328 2.374 ( 0.000 2.586 4.658) 5.328 3.101 ( 0.000 -1.155 -7.907) 7.991 3.101 ( 0.000 1.155 -7.907) 7.991 3.658 ( 0.000 -8.120 -3.766) 8.951 3.658 ( 0.000 8.120 -3.766) 8.951 3.959 ( 0.000 -15.926 -3.096) 16.224 3.959 ( 0.000 15.926 -3.096) 16.224 4.769 ( 0.000 -4.470 11.244) 12.100 4.769 ( 0.000 4.470 11.244) 12.100 5.494 ( 0.000 -8.139 -3.619) 8.907 5.494 ( 0.000 8.139 -3.619) 8.907 6.415 ( 0.000 -19.565 6.773) 20.704 6.415 ( 0.000 19.565 6.773) 20.704 6.731 ( 0.000 -12.900 -10.585) 16.686 6.731 ( 0.000 12.900 -10.585) 16.686 7.719 ( 0.000 -8.306 4.710) 9.548 7.719 ( 0.000 8.306 4.710) 9.548 8.055 ( 0.000 -28.516 3.383) 28.716 8.055 ( 0.000 28.516 3.383) 28.716 8.823 ( 0.000 -8.487 -4.362) 9.543 8.823 ( 0.000 8.487 -4.362) 9.543 9.137 ( 0.000 -3.481 3.298) 4.795 9.137 ( 0.000 3.481 3.298) 4.795 9.692 ( 0.000 -8.102 1.393) 8.221 9.692 ( 0.000 8.102 1.393) 8.221 10.020 ( 0.000 -0.710 7.934) 7.966 10.020 ( 0.000 0.710 7.934) 7.966 10.803 ( 0.000 -3.196 -7.121) 7.805 10.803 ( 0.000 3.196 -7.121) 7.805 10.898 ( 0.000 -11.414 5.345) 12.604 10.898 ( 0.000 11.414 5.345) 12.604 12.044 ( 0.000 -15.185 -3.488) 15.580 12.044 ( 0.000 15.185 -3.488) 15.580 12.275 ( 0.000 -14.426 -3.569) 14.861 12.275 ( 0.000 14.426 -3.569) 14.861 13.059 ( 0.000 -3.336 -9.308) 9.888 13.059 ( 0.000 3.336 -9.308) 9.888 13.468 ( 0.000 -9.281 4.191) 10.183 13.468 ( 0.000 9.281 4.191) 10.183 13.758 ( 0.000 -2.310 -9.543) 9.819 13.758 ( 0.000 2.310 -9.543) 9.819 14.460 ( 0.000 -7.659 -1.001) 7.724 14.460 ( 0.000 7.659 -1.001) 7.724 14.869 ( 0.000 -7.628 -8.242) 11.230 14.869 ( 0.000 7.628 -8.242) 11.230 15.038 ( 0.000 -3.006 -10.208) 10.642 15.038 ( 0.000 3.006 -10.208) 10.642 15.656 ( 0.000 -6.874 7.247) 9.988 15.656 ( 0.000 6.874 7.247) 9.988 16.061 ( 0.000 -8.099 13.825) 16.022 16.061 ( 0.000 8.099 13.825) 16.022 18.703 ( 0.000 -14.593 12.393) 19.145 18.703 ( 0.000 14.593 12.393) 19.145 19.727 ( 0.000 -1.148 -0.964) 1.499 19.727 ( 0.000 1.148 -0.964) 1.499 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -1.617 -11.690 -1.440) 11.889 1.801 ( -1.617 11.690 -1.440) 11.889 2.243 ( -3.556 -16.754 15.318) 22.978 2.243 ( -3.556 16.754 15.318) 22.978 2.526 ( 10.678 -6.379 -2.716) 12.731 2.526 ( 10.678 6.379 -2.716) 12.731 3.066 ( -3.136 -4.141 -7.637) 9.236 3.066 ( -3.136 4.141 -7.637) 9.236 3.681 ( 2.056 -7.321 -4.837) 9.012 3.681 ( 2.056 7.321 -4.837) 9.012 3.937 ( -2.363 -13.853 -2.854) 14.340 3.937 ( -2.363 13.853 -2.854) 14.340 4.853 ( 8.284 -4.555 8.318) 12.592 4.853 ( 8.284 4.555 8.318) 12.592 5.496 ( 1.646 -10.887 1.104) 11.066 5.496 ( 1.646 10.887 1.104) 11.066 6.422 ( 1.228 -15.938 4.961) 16.737 6.422 ( 1.228 15.938 4.961) 16.737 6.813 ( 7.538 -14.429 -10.493) 19.368 6.813 ( 7.538 14.429 -10.493) 19.368 7.732 ( 1.379 -5.802 2.466) 6.454 7.732 ( 1.379 5.802 2.466) 6.454 8.066 ( 1.146 -26.420 4.027) 26.750 8.066 ( 1.146 26.420 4.027) 26.750 8.799 ( -3.583 -7.520 -4.437) 9.438 8.799 ( -3.583 7.520 -4.437) 9.438 9.090 ( -3.509 -4.771 6.706) 8.947 9.090 ( -3.509 4.771 6.706) 8.947 9.784 ( 6.651 -9.359 -1.804) 11.622 9.784 ( 6.651 9.359 -1.804) 11.622 10.045 ( 3.938 -1.758 4.600) 6.305 10.045 ( 3.938 1.758 4.600) 6.305 10.727 ( -6.720 -6.232 -5.838) 10.866 10.727 ( -6.720 6.232 -5.838) 10.866 10.907 ( 0.206 -8.512 5.861) 10.337 10.907 ( 0.206 8.512 5.861) 10.337 12.046 ( -0.156 -13.672 -4.012) 14.249 12.046 ( -0.156 13.672 -4.012) 14.249 12.256 ( -1.597 -12.523 -1.766) 12.748 12.256 ( -1.597 12.523 -1.766) 12.748 13.024 ( -3.545 -3.786 -8.253) 9.748 13.024 ( -3.545 3.786 -8.253) 9.748 13.384 ( -7.960 -8.095 1.338) 11.432 13.384 ( -7.960 8.095 1.338) 11.432 13.790 ( 3.045 -4.366 -6.556) 8.444 13.790 ( 3.045 4.366 -6.556) 8.444 14.408 ( -4.588 -5.679 -0.607) 7.325 14.408 ( -4.588 5.679 -0.607) 7.325 14.871 ( 0.793 -5.536 -9.490) 11.015 14.871 ( 0.793 5.536 -9.490) 11.015 15.097 ( 4.139 -3.933 -8.977) 10.639 15.097 ( 4.139 3.933 -8.977) 10.639 15.657 ( 0.530 -6.834 7.102) 9.870 15.657 ( 0.530 6.834 7.102) 9.870 16.064 ( 0.420 -8.023 13.692) 15.875 16.064 ( 0.420 8.023 13.692) 15.875 18.803 ( 9.350 -17.210 10.202) 22.083 18.803 ( 9.350 17.210 10.202) 22.083 19.727 ( -0.135 -0.841 -1.803) 1.994 19.727 ( -0.135 0.841 -1.803) 1.994 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.955 -5.862 1.136) 6.283 1.805 ( 1.955 5.862 1.136) 6.283 2.164 ( -4.386 -15.445 15.599) 22.385 2.164 ( -4.386 15.445 15.599) 22.385 2.700 ( 6.756 -1.852 -3.764) 7.953 2.700 ( 6.756 1.852 -3.764) 7.953 3.000 ( -3.055 -6.165 -6.081) 9.183 3.000 ( -3.055 6.165 -6.081) 9.183 3.701 ( -1.224 -4.475 -6.172) 7.722 3.701 ( -1.224 4.475 -6.172) 7.722 3.865 ( -4.844 -8.912 -2.001) 10.339 3.865 ( -4.844 8.912 -2.001) 10.339 5.086 ( 15.343 -5.163 3.720) 16.610 5.086 ( 15.343 5.163 3.720) 16.610 5.596 ( 8.146 -11.364 4.784) 14.778 5.596 ( 8.146 11.364 4.784) 14.778 6.494 ( 6.964 -6.753 1.903) 9.885 6.494 ( 6.964 6.753 1.903) 9.885 6.992 ( 10.388 -15.512 -9.940) 21.151 6.992 ( 10.388 15.512 -9.940) 21.151 7.758 ( 0.328 -4.155 0.216) 4.173 7.758 ( 0.328 4.155 0.216) 4.173 8.110 ( 4.057 -18.181 4.260) 19.109 8.110 ( 4.057 18.181 4.260) 19.109 8.647 ( -11.521 -3.691 -6.549) 13.757 8.647 ( -11.521 3.691 -6.549) 13.757 9.036 ( -2.767 -5.202 10.988) 12.468 9.036 ( -2.767 5.202 10.988) 12.468 9.847 ( 0.728 -3.613 -10.055) 10.709 9.847 ( 0.728 3.613 -10.055) 10.709 10.221 ( 12.191 -8.120 1.833) 14.762 10.221 ( 12.191 8.120 1.833) 14.762 10.578 ( -7.731 -6.209 -1.929) 10.102 10.578 ( -7.731 6.209 -1.929) 10.102 10.886 ( -2.764 -6.746 8.122) 10.914 10.886 ( -2.764 6.746 8.122) 10.914 12.029 ( -1.217 -9.091 -5.460) 10.674 12.029 ( -1.217 9.091 -5.460) 10.674 12.238 ( 0.139 -7.681 1.618) 7.850 12.238 ( 0.139 7.681 1.618) 7.850 12.928 ( -5.930 -4.108 -5.412) 9.018 12.928 ( -5.930 4.108 -5.412) 9.018 13.184 ( -11.846 -6.479 -1.146) 13.550 13.184 ( -11.846 6.479 -1.146) 13.550 13.868 ( 4.773 -4.808 -3.524) 7.636 13.868 ( 4.773 4.808 -3.524) 7.636 14.310 ( -4.960 -3.626 0.084) 6.145 14.310 ( -4.960 3.626 0.084) 6.145 14.898 ( 1.714 -3.195 -9.995) 10.632 14.898 ( 1.714 3.195 -9.995) 10.632 15.144 ( 0.077 -2.011 -7.882) 8.135 15.144 ( 0.077 2.011 -7.882) 8.135 15.699 ( 4.039 -7.128 5.921) 10.108 15.699 ( 4.039 7.128 5.921) 10.108 16.078 ( 0.754 -8.324 13.131) 15.565 16.078 ( 0.754 8.324 13.131) 15.565 19.023 ( 12.210 -19.584 5.488) 23.722 19.023 ( 12.210 19.584 5.488) 23.722 19.717 ( -1.098 -0.515 -3.616) 3.814 19.717 ( -1.098 0.515 -3.616) 3.814 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 3.873 -5.137 3.555) 7.350 1.866 ( 3.873 5.137 3.555) 7.350 2.080 ( -4.000 -15.511 12.537) 20.341 2.080 ( -4.000 15.511 12.537) 20.341 2.804 ( 4.328 -4.793 -3.484) 7.338 2.804 ( 4.328 4.793 -3.484) 7.338 2.958 ( -1.289 -6.292 -3.729) 7.427 2.958 ( -1.289 6.292 -3.729) 7.427 3.630 ( -4.786 -3.034 -4.612) 7.306 3.630 ( -4.786 3.034 -4.612) 7.306 3.753 ( -6.484 -3.476 -0.599) 7.381 3.753 ( -6.484 3.476 -0.599) 7.381 5.411 ( 16.353 -9.929 2.490) 19.292 5.411 ( 16.353 9.929 2.490) 19.292 5.755 ( 6.441 -13.699 2.773) 15.389 5.755 ( 6.441 13.699 2.773) 15.389 6.708 ( 14.647 -4.257 -3.531) 15.656 6.708 ( 14.647 4.257 -3.531) 15.656 7.214 ( 11.942 -13.254 -10.054) 20.478 7.214 ( 11.942 13.254 -10.054) 20.478 7.703 ( -5.764 -15.220 3.599) 16.669 7.703 ( -5.764 15.220 3.599) 16.669 8.236 ( 6.216 -9.573 0.886) 11.448 8.236 ( 6.216 9.573 0.886) 11.448 8.397 ( -11.273 -4.640 -9.332) 15.352 8.397 ( -11.273 4.640 -9.332) 15.352 8.936 ( -7.910 -3.671 6.767) 11.038 8.936 ( -7.910 3.671 6.767) 11.038 9.886 ( 4.278 -6.799 -10.877) 13.522 9.886 ( 4.278 6.799 -10.877) 13.522 10.373 ( -3.035 -13.134 -1.344) 13.547 10.373 ( -3.035 13.134 -1.344) 13.547 10.498 ( 4.469 -11.064 5.587) 13.176 10.498 ( 4.469 11.064 5.587) 13.176 10.796 ( -5.850 -7.479 10.540) 14.186 10.796 ( -5.850 7.479 10.540) 14.186 12.036 ( 2.795 -6.145 -5.478) 8.693 12.036 ( 2.795 6.145 -5.478) 8.693 12.254 ( 1.049 -4.229 2.749) 5.152 12.254 ( 1.049 4.229 2.749) 5.152 12.804 ( -6.428 -1.925 -2.602) 7.197 12.804 ( -6.428 1.925 -2.602) 7.197 12.948 ( -11.562 -3.902 -1.406) 12.284 12.948 ( -11.562 3.902 -1.406) 12.284 13.967 ( 5.157 -3.584 -1.894) 6.559 13.967 ( 5.157 3.584 -1.894) 6.559 14.222 ( -4.110 -2.404 0.441) 4.782 14.222 ( -4.110 2.404 0.441) 4.782 14.932 ( 1.781 -2.292 -9.499) 9.933 14.932 ( 1.781 2.292 -9.499) 9.933 15.106 ( -3.343 -1.863 -7.288) 8.232 15.106 ( -3.343 1.863 -7.288) 8.232 15.808 ( 6.672 -5.599 4.830) 9.960 15.808 ( 6.672 5.599 4.830) 9.960 16.081 ( -0.807 -7.052 11.354) 13.390 16.081 ( -0.807 7.052 11.354) 13.390 19.254 ( 11.021 -17.438 0.726) 20.642 19.254 ( 11.021 17.438 0.726) 20.642 19.677 ( -3.151 -2.999 -4.987) 6.618 19.677 ( -3.151 2.999 -4.987) 6.618 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 3.686 -11.800 6.055) 13.766 1.942 ( 3.686 11.800 6.055) 13.766 2.009 ( -3.386 -15.060 8.987) 17.861 2.009 ( -3.386 15.060 8.987) 17.861 2.880 ( 3.528 -3.569 -3.716) 6.244 2.880 ( 3.528 3.569 -3.716) 6.244 2.934 ( -1.776 -3.934 -3.124) 5.328 2.934 ( -1.776 3.934 -3.124) 5.328 3.570 ( -0.245 -1.944 -1.488) 2.461 3.570 ( -0.245 1.944 -1.488) 2.461 3.629 ( -5.550 -1.888 0.144) 5.864 3.629 ( -5.550 1.888 0.144) 5.864 5.679 ( 10.462 -13.414 2.429) 17.184 5.679 ( 10.462 13.414 2.429) 17.184 5.803 ( -1.964 -14.115 2.130) 14.409 5.803 ( -1.964 14.115 2.130) 14.409 7.032 ( 17.197 -13.140 -7.009) 22.749 7.032 ( 17.197 13.140 -7.009) 22.749 7.312 ( -7.959 -10.441 -8.967) 15.898 7.312 ( -7.959 10.441 -8.967) 15.898 7.699 ( 11.687 -2.227 -0.355) 11.902 7.699 ( 11.687 2.227 -0.355) 11.902 8.027 ( -18.023 -2.198 -8.398) 20.004 8.027 ( -18.023 2.198 -8.398) 20.004 8.506 ( 12.308 -0.960 -1.836) 12.481 8.506 ( 12.308 0.960 -1.836) 12.481 8.742 ( -11.381 -2.075 0.737) 11.592 8.742 ( -11.381 2.075 0.737) 11.592 10.021 ( 9.168 -10.182 -4.786) 14.514 10.021 ( 9.168 10.182 -4.786) 14.514 10.218 ( -10.101 -11.569 -1.004) 15.391 10.218 ( -10.101 11.569 -1.004) 15.391 10.609 ( 4.677 -13.162 8.007) 16.101 10.609 ( 4.677 13.162 8.007) 16.101 10.691 ( -4.464 -10.789 10.501) 15.704 10.691 ( -4.464 10.789 10.501) 15.704 12.137 ( 6.705 -4.687 -3.536) 8.912 12.137 ( 6.705 4.687 -3.536) 8.912 12.245 ( -3.023 -2.547 0.279) 3.962 12.245 ( -3.023 2.547 0.279) 3.962 12.711 ( -1.750 -3.608 -0.804) 4.090 12.711 ( -1.750 3.608 -0.804) 4.090 12.763 ( -6.716 -3.938 -0.233) 7.789 12.763 ( -6.716 3.938 -0.233) 7.789 14.063 ( 4.566 -2.001 -0.735) 5.039 14.063 ( 4.566 2.001 -0.735) 5.039 14.145 ( -3.934 -1.362 0.136) 4.165 14.145 ( -3.934 1.362 0.136) 4.165 14.973 ( 2.562 -2.226 -8.576) 9.223 14.973 ( 2.562 2.226 -8.576) 9.223 15.034 ( -3.636 -2.255 -7.642) 8.758 15.034 ( -3.636 2.255 -7.642) 8.758 15.938 ( 6.197 -1.758 5.820) 8.681 15.938 ( 6.197 1.758 5.820) 8.681 16.037 ( -3.724 -3.542 8.485) 9.920 16.037 ( -3.724 3.542 8.485) 9.920 19.447 ( 8.653 -12.417 -2.911) 15.412 19.447 ( 8.653 12.418 -2.911) 15.412 19.589 ( -5.885 -7.118 -4.871) 10.442 19.589 ( -5.885 7.118 -4.871) 10.442 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 0.000 25.020) 25.020 1.327 ( 0.000 0.000 28.195) 28.195 2.305 ( 0.000 0.000 -8.464) 8.464 2.494 ( 0.000 0.000 45.261) 45.261 2.648 ( 0.000 0.000 -9.586) 9.586 2.897 ( 0.000 0.000 -17.543) 17.543 2.925 ( 0.000 0.000 -6.058) 6.058 2.956 ( 0.000 0.000 5.685) 5.685 3.185 ( 0.000 0.000 -1.270) 1.270 3.234 ( 0.000 0.000 -6.646) 6.646 3.547 ( 0.000 0.000 -3.043) 3.043 3.753 ( 0.000 0.000 10.702) 10.702 4.589 ( 0.000 0.000 -5.115) 5.115 4.954 ( 0.000 0.000 17.344) 17.344 5.633 ( 0.000 0.000 -18.381) 18.381 5.898 ( 0.000 0.000 -3.456) 3.456 5.931 ( 0.000 0.000 15.409) 15.409 6.270 ( 0.000 0.000 8.187) 8.187 6.692 ( 0.000 0.000 3.893) 3.893 6.852 ( 0.000 0.000 -24.783) 24.783 7.317 ( 0.000 0.000 13.041) 13.041 7.872 ( 0.000 0.000 -19.099) 19.099 8.149 ( 0.000 0.000 29.108) 29.108 8.387 ( 0.000 0.000 -1.393) 1.393 8.588 ( 0.000 0.000 3.374) 3.374 8.709 ( 0.000 0.000 -8.967) 8.967 8.894 ( 0.000 0.000 -6.808) 6.808 9.227 ( 0.000 0.000 -1.962) 1.962 9.994 ( 0.000 0.000 4.619) 4.619 10.011 ( 0.000 0.000 -2.045) 2.045 10.306 ( 0.000 0.000 -1.473) 1.473 10.394 ( 0.000 0.000 6.857) 6.857 10.499 ( 0.000 0.000 -13.203) 13.203 10.635 ( 0.000 0.000 17.275) 17.275 10.708 ( 0.000 0.000 0.847) 0.847 11.390 ( 0.000 0.000 -1.738) 1.738 11.418 ( 0.000 0.000 -6.952) 6.952 11.691 ( 0.000 0.000 5.024) 5.024 12.080 ( 0.000 0.000 -14.217) 14.217 12.619 ( 0.000 0.000 -15.915) 15.915 12.919 ( 0.000 0.000 -3.703) 3.703 13.007 ( 0.000 0.000 6.691) 6.691 13.127 ( 0.000 0.000 -9.928) 9.928 13.558 ( 0.000 0.000 -18.049) 18.049 13.689 ( 0.000 0.000 -2.352) 2.352 13.799 ( 0.000 0.000 -1.927) 1.927 13.961 ( 0.000 0.000 -1.168) 1.168 14.364 ( 0.000 0.000 6.168) 6.168 14.650 ( 0.000 0.000 -10.465) 10.465 14.717 ( 0.000 0.000 -11.408) 11.408 14.824 ( 0.000 0.000 -1.779) 1.779 14.869 ( 0.000 0.000 -3.923) 3.923 15.703 ( 0.000 0.000 15.055) 15.055 15.949 ( 0.000 0.000 17.152) 17.152 16.055 ( 0.000 0.000 0.353) 0.353 16.944 ( 0.000 0.000 9.794) 9.794 18.396 ( 0.000 0.000 21.034) 21.034 19.698 ( 0.000 0.000 -0.858) 0.858 19.789 ( 0.000 0.000 -2.178) 2.178 20.216 ( 0.000 0.000 -5.898) 5.898 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 10.407 0.000 18.764) 21.457 1.545 ( 18.097 0.000 22.547) 28.911 2.244 ( -5.991 0.000 -9.979) 11.639 2.624 ( 10.584 0.000 26.283) 28.334 2.662 ( 0.022 0.000 -10.015) 10.015 2.898 ( -1.967 0.000 -2.071) 2.856 2.916 ( 0.463 0.000 -8.754) 8.766 2.925 ( 0.605 0.000 5.239) 5.273 3.147 ( -4.581 0.000 1.255) 4.750 3.303 ( 8.226 0.000 -2.712) 8.661 3.558 ( 1.875 0.000 -3.858) 4.289 3.844 ( 9.072 0.000 10.077) 13.559 4.515 ( -7.269 0.000 -4.180) 8.385 4.968 ( 1.394 0.000 16.556) 16.614 5.578 ( -2.912 0.000 -9.876) 10.296 5.744 ( -7.797 0.000 8.475) 11.516 6.047 ( 9.254 0.000 5.739) 10.890 6.483 ( 12.835 0.000 -7.445) 14.838 6.690 ( -0.200 0.000 3.195) 3.201 6.858 ( 2.356 0.000 -16.441) 16.609 7.378 ( 4.634 0.000 10.526) 11.500 7.858 ( -1.355 0.000 -17.406) 17.459 7.970 ( -12.972 0.000 15.164) 19.955 8.432 ( 3.018 0.000 -4.636) 5.531 8.725 ( 1.797 0.000 -6.839) 7.071 8.783 ( 12.768 0.000 13.759) 18.770 8.857 ( -3.418 0.000 -6.514) 7.356 9.081 ( -14.169 0.000 1.498) 14.248 9.791 ( -14.189 0.000 -10.341) 17.557 9.819 ( -5.964 0.000 9.514) 11.229 10.300 ( -13.345 0.000 -4.836) 14.194 10.481 ( 11.016 0.000 2.520) 11.300 10.543 ( 2.793 0.000 4.129) 4.985 10.695 ( 3.335 0.000 -6.749) 7.528 10.890 ( 15.214 0.000 9.086) 17.720 11.235 ( -6.260 0.000 -1.288) 6.391 11.534 ( 3.308 0.000 0.713) 3.384 11.778 ( 7.993 0.000 1.905) 8.217 11.872 ( -16.305 0.000 -8.740) 18.500 12.612 ( -0.081 0.000 -13.180) 13.180 12.875 ( -8.610 0.000 1.856) 8.807 12.985 ( 3.490 0.000 -5.814) 6.781 13.269 ( 9.417 0.000 -5.060) 10.690 13.529 ( -2.569 0.000 -17.654) 17.840 13.663 ( -3.427 0.000 -3.267) 4.735 13.799 ( 0.020 0.000 -2.258) 2.258 13.965 ( 0.512 0.000 -0.797) 0.948 14.340 ( -2.270 0.000 4.750) 5.264 14.541 ( -4.726 0.000 -6.008) 7.645 14.735 ( 1.570 0.000 -10.195) 10.315 14.863 ( -0.649 0.000 -3.663) 3.720 14.891 ( 2.721 0.000 -3.079) 4.109 15.782 ( 4.783 0.000 13.472) 14.296 15.944 ( 1.676 0.000 6.445) 6.660 16.138 ( 5.637 0.000 5.473) 7.857 16.888 ( -3.971 0.000 11.844) 12.492 18.446 ( 5.047 0.000 19.370) 20.016 19.671 ( -2.516 0.000 -2.437) 3.503 19.760 ( -2.995 0.000 -2.910) 4.176 20.247 ( 1.567 0.000 -8.707) 8.847 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 7.976 0.000 3.250) 8.612 1.898 ( 16.858 0.000 17.672) 24.423 2.082 ( -10.201 0.000 -11.632) 15.471 2.612 ( -3.724 0.000 -4.503) 5.844 2.696 ( -2.075 0.000 -7.603) 7.881 2.861 ( -3.733 0.000 -1.953) 4.213 2.892 ( 1.388 0.000 2.097) 2.514 3.052 ( -2.773 0.000 -5.955) 6.569 3.160 ( 13.776 0.000 17.899) 22.587 3.525 ( 11.824 0.000 0.677) 11.843 3.661 ( 11.924 0.000 2.004) 12.091 4.083 ( 14.316 0.000 8.795) 16.802 4.330 ( -10.602 0.000 -0.960) 10.646 4.998 ( 0.981 0.000 14.680) 14.713 5.586 ( 4.696 0.000 -4.947) 6.821 5.696 ( 3.289 0.000 7.387) 8.086 6.237 ( 9.790 0.000 -2.342) 10.066 6.642 ( 4.358 0.000 -13.753) 14.427 6.682 ( -0.811 0.000 1.507) 1.711 6.996 ( 10.520 0.000 2.455) 10.803 7.443 ( 1.774 0.000 0.147) 1.780 7.698 ( -14.999 0.000 0.702) 15.016 7.838 ( -0.587 0.000 -9.702) 9.719 8.424 ( -5.363 0.000 -9.216) 10.662 8.689 ( -8.529 0.000 -8.796) 12.252 8.804 ( -9.795 0.000 4.930) 10.965 8.856 ( -8.421 0.000 -2.014) 8.659 8.874 ( 6.745 0.000 -1.443) 6.897 9.682 ( 6.448 0.000 -1.651) 6.656 9.776 ( -3.674 0.000 8.718) 9.460 10.093 ( -3.538 0.000 -8.726) 9.416 10.443 ( -12.468 0.000 6.250) 13.947 10.638 ( 4.060 0.000 3.319) 5.244 10.747 ( 1.955 0.000 -9.088) 9.296 11.168 ( 11.902 0.000 4.242) 12.636 11.203 ( 3.663 0.000 3.701) 5.207 11.574 ( 1.639 0.000 5.003) 5.265 11.619 ( -7.645 0.000 -0.298) 7.651 11.934 ( 6.931 0.000 2.994) 7.550 12.610 ( -0.263 0.000 -10.452) 10.455 12.704 ( -8.981 0.000 1.497) 9.105 13.005 ( -1.234 0.000 -4.988) 5.138 13.450 ( 8.861 0.000 -4.807) 10.080 13.454 ( -5.723 0.000 -14.026) 15.148 13.544 ( -7.614 0.000 -3.612) 8.427 13.801 ( 0.240 0.000 -2.986) 2.996 13.985 ( 1.642 0.000 -0.065) 1.643 14.283 ( -3.469 0.000 2.228) 4.123 14.545 ( 4.403 0.000 -8.587) 9.650 14.765 ( 1.254 0.000 -7.904) 8.003 14.844 ( -1.206 0.000 -3.006) 3.239 14.920 ( 0.823 0.000 -2.601) 2.728 15.820 ( 0.364 0.000 8.530) 8.538 16.010 ( 3.050 0.000 1.005) 3.211 16.228 ( 4.107 0.000 9.896) 10.714 16.839 ( -1.385 0.000 13.832) 13.901 18.590 ( 9.550 0.000 14.626) 17.468 19.620 ( -2.052 0.000 -6.820) 7.122 19.672 ( -6.087 0.000 -4.430) 7.529 20.224 ( -4.331 0.000 -11.161) 11.971 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -3.897 0.000 -12.804) 13.384 1.858 ( -12.496 0.000 -13.165) 18.151 2.201 ( 14.333 0.000 13.578) 19.743 2.622 ( 5.720 0.000 5.228) 7.749 2.666 ( 0.205 0.000 -8.746) 8.749 2.772 ( -5.354 0.000 1.505) 5.561 2.919 ( 0.614 0.000 2.313) 2.393 2.970 ( -5.465 0.000 -6.639) 8.599 3.352 ( 6.326 0.000 2.968) 6.987 3.642 ( 1.055 0.000 -5.543) 5.643 4.016 ( 16.453 0.000 12.562) 20.701 4.171 ( -3.033 0.000 5.326) 6.129 4.364 ( 13.961 0.000 8.793) 16.500 4.971 ( -4.293 0.000 12.952) 13.645 5.786 ( 15.775 0.000 -3.439) 16.145 5.887 ( 16.551 0.000 -0.491) 16.558 6.423 ( 9.114 0.000 -6.005) 10.914 6.646 ( -3.190 0.000 -1.045) 3.357 6.705 ( 1.844 0.000 -6.601) 6.854 7.161 ( 4.450 0.000 16.902) 17.478 7.350 ( -20.685 0.000 -2.430) 20.828 7.515 ( 7.937 0.000 -18.871) 20.473 7.870 ( 4.340 0.000 -11.943) 12.707 8.178 ( -19.027 0.000 -12.574) 22.806 8.462 ( -12.914 0.000 -6.647) 14.525 8.568 ( -17.160 0.000 -22.250) 28.099 8.758 ( 4.033 0.000 1.498) 4.303 9.027 ( 6.822 0.000 3.164) 7.520 9.619 ( -8.789 0.000 5.766) 10.512 9.944 ( 16.641 0.000 10.628) 19.746 10.076 ( -15.001 0.000 -0.048) 15.001 10.245 ( 7.597 0.000 -4.594) 8.878 10.634 ( -3.939 0.000 3.667) 5.381 10.757 ( -1.446 0.000 -8.800) 8.918 11.352 ( 7.947 0.000 5.661) 9.758 11.352 ( 9.244 0.000 7.378) 11.827 11.551 ( -1.032 0.000 5.714) 5.806 11.608 ( 1.689 0.000 8.172) 8.345 12.041 ( 4.512 0.000 4.867) 6.637 12.519 ( -10.017 0.000 1.611) 10.145 12.612 ( 1.026 0.000 -8.814) 8.874 12.944 ( -5.226 0.000 -5.902) 7.883 13.312 ( -6.511 0.000 -3.750) 7.513 13.419 ( -5.474 0.000 -5.275) 7.602 13.608 ( 7.272 0.000 -5.336) 9.020 13.808 ( 0.263 0.000 -3.839) 3.848 14.027 ( 2.465 0.000 0.400) 2.497 14.208 ( -4.062 0.000 0.282) 4.072 14.658 ( 6.143 0.000 -11.611) 13.136 14.779 ( 0.288 0.000 -5.504) 5.511 14.818 ( -1.329 0.000 -2.349) 2.699 14.921 ( -1.133 0.000 -4.887) 5.017 15.845 ( 2.907 0.000 0.993) 3.072 16.035 ( -0.133 0.000 -0.267) 0.299 16.325 ( 6.057 0.000 14.964) 16.143 16.789 ( -4.611 0.000 16.195) 16.839 18.809 ( 12.561 0.000 7.898) 14.838 19.522 ( -9.209 0.000 -5.126) 10.540 19.616 ( 2.153 0.000 -11.735) 11.930 20.087 ( -9.199 0.000 -12.644) 15.636 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -1.234 0.000 -16.997) 17.042 1.635 ( -8.735 0.000 -15.823) 18.074 2.456 ( 11.658 0.000 9.895) 15.291 2.646 ( -7.793 0.000 5.967) 9.815 2.716 ( 4.782 0.000 -9.110) 10.289 2.776 ( 8.041 0.000 5.275) 9.616 2.840 ( -7.313 0.000 -8.463) 11.185 2.893 ( -3.627 0.000 3.168) 4.816 3.459 ( 5.477 0.000 -1.364) 5.645 3.576 ( -6.121 0.000 -4.742) 7.743 4.174 ( 5.033 0.000 11.033) 12.127 4.227 ( 1.502 0.000 10.710) 10.814 4.619 ( 12.114 0.000 9.966) 15.687 4.833 ( -9.429 0.000 11.394) 14.790 6.162 ( 20.748 0.000 -0.662) 20.758 6.299 ( 22.743 0.000 -3.609) 23.028 6.487 ( -9.564 0.000 2.648) 9.924 6.643 ( 9.301 0.000 -11.790) 15.017 6.644 ( -10.270 0.000 -0.118) 10.271 6.931 ( -19.980 0.000 -8.041) 21.538 7.266 ( 10.259 0.000 0.918) 10.300 7.563 ( -13.823 0.000 -9.948) 17.030 7.940 ( 6.261 0.000 -15.788) 16.984 8.012 ( 10.062 0.000 -17.677) 20.340 8.194 ( -14.559 0.000 -9.923) 17.619 8.254 ( -14.483 0.000 -23.494) 27.599 8.903 ( 9.474 0.000 4.879) 10.657 9.064 ( -4.559 0.000 6.674) 8.082 9.551 ( 3.903 0.000 2.648) 4.716 9.749 ( -14.831 0.000 2.014) 14.968 10.258 ( 14.687 0.000 9.678) 17.589 10.475 ( 12.158 0.000 -7.951) 14.527 10.499 ( -9.743 0.000 5.860) 11.369 10.672 ( -7.447 0.000 -8.401) 11.226 11.466 ( 4.483 0.000 6.741) 8.095 11.528 ( -1.954 0.000 7.428) 7.681 11.530 ( 7.340 0.000 12.190) 14.229 11.617 ( -1.552 0.000 11.762) 11.864 12.145 ( 6.950 0.000 3.235) 7.666 12.318 ( -10.182 0.000 1.776) 10.335 12.668 ( 5.012 0.000 -8.162) 9.578 12.803 ( -8.171 0.000 -7.669) 11.206 13.261 ( 0.997 0.000 -0.062) 0.999 13.320 ( -4.446 0.000 -2.063) 4.901 13.730 ( 5.053 0.000 -5.622) 7.559 13.798 ( -1.744 0.000 -4.906) 5.207 14.076 ( 2.538 0.000 0.253) 2.551 14.132 ( -3.437 0.000 -0.245) 3.446 14.770 ( 5.364 0.000 -11.033) 12.268 14.783 ( 0.292 0.000 -3.431) 3.443 14.795 ( -0.962 0.000 -2.347) 2.536 14.867 ( -4.250 0.000 -8.346) 9.366 15.931 ( 5.054 0.000 -3.518) 6.158 16.010 ( -2.644 0.000 -3.117) 4.088 16.469 ( 8.712 0.000 18.751) 20.676 16.651 ( -9.069 0.000 18.635) 20.725 19.066 ( 13.304 0.000 1.212) 13.359 19.315 ( -11.905 0.000 -3.429) 12.389 19.711 ( 7.454 0.000 -14.333) 16.155 19.890 ( -10.270 0.000 -14.119) 17.459 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 12.757 21.826) 25.280 1.480 ( 0.000 13.345 21.946) 25.686 2.234 ( 0.000 -6.225 -5.361) 8.215 2.449 ( 0.000 -1.108 14.858) 14.899 2.768 ( 0.000 5.940 5.885) 8.362 2.805 ( 0.000 -5.194 1.225) 5.336 2.847 ( 0.000 -0.506 -10.869) 10.880 3.119 ( 0.000 -5.414 1.818) 5.711 3.207 ( 0.000 12.541 -10.184) 16.156 3.309 ( 0.000 8.882 -4.079) 9.774 3.453 ( 0.000 -6.691 -1.779) 6.924 4.073 ( 0.000 25.448 2.616) 25.583 4.453 ( 0.000 -10.868 -5.511) 12.185 5.023 ( 0.000 4.443 21.429) 21.885 5.637 ( 0.000 -1.334 -14.648) 14.709 5.844 ( 0.000 -8.948 12.342) 15.244 5.935 ( 0.000 5.571 -9.460) 10.979 6.222 ( 0.000 0.562 17.848) 17.857 6.800 ( 0.000 -4.609 -22.778) 23.240 6.910 ( 0.000 18.829 4.594) 19.382 7.271 ( 0.000 -3.983 13.993) 14.549 7.903 ( 0.000 -1.172 -20.714) 20.747 8.047 ( 0.000 -8.284 22.477) 23.955 8.455 ( 0.000 5.558 0.014) 5.558 8.681 ( 0.000 8.866 2.292) 9.157 8.757 ( 0.000 1.919 -3.209) 3.739 8.861 ( 0.000 -2.013 -8.562) 8.796 9.249 ( 0.000 1.549 0.008) 1.549 9.782 ( 0.000 -11.702 4.999) 12.725 10.008 ( 0.000 -0.844 -2.298) 2.448 10.307 ( 0.000 -7.571 6.498) 9.977 10.430 ( 0.000 2.681 -0.470) 2.722 10.523 ( 0.000 2.612 -12.676) 12.942 10.598 ( 0.000 -1.336 12.548) 12.619 10.719 ( 0.000 1.615 2.003) 2.573 11.402 ( 0.000 -3.349 -2.832) 4.386 11.480 ( 0.000 7.758 -2.275) 8.085 11.773 ( 0.000 7.394 4.911) 8.876 12.142 ( 0.000 5.563 -18.681) 19.492 12.506 ( 0.000 -9.775 -12.958) 16.231 12.868 ( 0.000 -2.115 -2.835) 3.537 13.045 ( 0.000 -6.456 -8.548) 10.712 13.119 ( 0.000 7.696 3.534) 8.469 13.553 ( 0.000 -0.249 -16.848) 16.850 13.657 ( 0.000 -0.793 -0.449) 0.911 13.859 ( 0.000 -6.599 -2.565) 7.080 13.951 ( 0.000 8.609 -3.695) 9.368 14.438 ( 0.000 6.534 4.694) 8.045 14.699 ( 0.000 -3.835 -10.449) 11.130 14.701 ( 0.000 3.870 -10.054) 10.773 14.756 ( 0.000 -1.531 -2.416) 2.861 14.925 ( 0.000 2.384 -4.288) 4.906 15.712 ( 0.000 0.659 11.781) 11.800 15.998 ( 0.000 -5.120 0.862) 5.192 16.012 ( 0.000 5.706 16.758) 17.703 16.857 ( 0.000 -7.604 11.937) 14.153 18.477 ( 0.000 7.234 18.813) 20.155 19.690 ( 0.000 -0.608 -1.247) 1.387 19.763 ( 0.000 -2.984 -1.766) 3.467 19.923 ( 0.000 -22.419 3.546) 22.697 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 9.556 10.410 18.291) 23.114 1.691 ( 15.618 11.849 17.880) 26.533 2.193 ( -3.792 -4.029 -5.353) 7.699 2.473 ( 1.295 -4.360 6.023) 7.547 2.714 ( -3.036 -2.603 -5.810) 7.053 2.805 ( -0.222 -3.297 4.802) 5.829 2.942 ( 5.899 1.217 -7.272) 9.443 3.110 ( -0.697 -0.820 4.827) 4.946 3.171 ( -1.643 13.049 -2.646) 13.415 3.379 ( 6.874 7.205 -1.937) 10.144 3.467 ( 1.942 -5.972 -3.758) 7.318 4.137 ( 7.067 23.719 4.368) 25.132 4.390 ( -6.191 -9.504 -4.691) 12.274 5.044 ( 2.265 4.817 19.969) 20.667 5.600 ( -2.084 -0.569 -6.258) 6.621 5.703 ( -5.905 -1.214 8.303) 10.261 6.085 ( 8.966 3.279 -4.523) 10.564 6.384 ( 11.818 -4.543 3.768) 13.210 6.799 ( 1.134 -2.577 -12.371) 12.688 6.924 ( 1.114 17.407 0.538) 17.451 7.293 ( 1.180 -6.692 9.410) 11.607 7.877 ( -2.194 -0.564 -16.390) 16.546 7.982 ( -4.403 -1.801 16.128) 16.815 8.487 ( 1.659 3.881 -3.848) 5.711 8.750 ( -1.550 -1.592 -4.128) 4.688 8.766 ( 5.936 5.913 3.506) 9.082 8.819 ( -3.699 -3.519 -6.401) 8.188 9.202 ( -6.145 8.187 5.559) 11.649 9.717 ( -2.318 -6.244 6.238) 9.126 9.831 ( -12.618 1.838 -8.174) 15.146 10.254 ( -12.045 -4.181 -4.612) 13.559 10.347 ( 6.027 -7.749 2.531) 10.138 10.664 ( 2.805 -1.366 -3.470) 4.666 10.690 ( 6.043 7.300 4.844) 10.643 10.800 ( 8.738 -5.548 6.794) 12.381 11.313 ( -3.281 2.220 -0.131) 3.964 11.563 ( 2.701 2.816 -0.476) 3.931 11.829 ( 4.890 5.600 4.296) 8.586 11.970 ( -12.749 8.847 -13.708) 20.706 12.512 ( 0.773 -8.791 -11.213) 14.269 12.881 ( -5.755 0.436 -1.201) 5.895 12.928 ( 0.169 -4.458 -5.970) 7.453 13.280 ( 8.071 -0.031 -4.285) 9.138 13.500 ( -2.999 -0.450 -12.003) 12.380 13.626 ( -4.948 -2.926 -3.887) 6.939 13.868 ( 0.660 -2.558 -4.001) 4.794 13.959 ( 1.226 6.763 -2.405) 7.282 14.396 ( -3.907 4.432 2.627) 6.466 14.589 ( -3.290 3.417 -4.972) 6.872 14.741 ( 1.860 0.163 -10.074) 10.245 14.807 ( 1.624 -1.616 -3.741) 4.387 14.954 ( 1.742 3.000 -4.170) 5.424 15.772 ( 4.025 -0.921 11.027) 11.775 15.954 ( -0.011 -0.349 3.680) 3.696 16.114 ( 5.571 -0.498 10.334) 11.750 16.812 ( -3.382 -6.844 13.119) 15.179 18.522 ( 4.653 6.948 17.413) 19.317 19.661 ( -2.581 -0.894 -2.550) 3.737 19.739 ( -2.672 -1.994 -2.949) 4.451 19.980 ( 4.164 -21.397 -0.936) 21.819 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 5.772 9.703 6.352) 12.954 1.957 ( 8.424 2.154 10.570) 13.687 2.119 ( -0.963 4.104 1.032) 4.340 2.471 ( -0.084 -5.827 -1.907) 6.131 2.665 ( -1.652 -3.104 -7.352) 8.150 2.814 ( 0.756 -4.364 2.405) 5.040 2.962 ( -2.415 -1.114 -10.573) 10.902 3.047 ( -4.650 3.926 -0.693) 6.125 3.266 ( 6.961 7.702 6.833) 12.428 3.536 ( 5.029 -2.395 -3.743) 6.711 3.594 ( 15.165 -0.480 6.387) 16.462 4.201 ( -8.957 -8.320 -1.560) 12.323 4.374 ( 12.877 22.694 5.612) 26.690 5.118 ( 5.214 7.587 17.104) 19.424 5.616 ( 4.533 0.937 -1.958) 5.025 5.670 ( 2.736 0.394 5.221) 5.908 6.255 ( 8.010 1.703 -8.436) 11.757 6.565 ( 6.482 -2.590 -6.599) 9.606 6.867 ( 3.850 3.642 6.727) 8.564 6.960 ( 3.356 8.384 -0.685) 9.057 7.296 ( 0.540 -9.186 -7.131) 11.642 7.829 ( -3.558 4.045 -8.485) 10.051 7.926 ( -1.573 7.024 8.486) 11.128 8.450 ( -6.487 1.471 -10.358) 12.310 8.611 ( -11.022 -4.730 -6.770) 13.773 8.719 ( -7.223 -6.576 0.878) 9.808 8.914 ( 6.281 5.890 -4.738) 9.828 8.970 ( -12.894 6.972 -0.002) 14.658 9.715 ( -2.590 -4.908 6.900) 8.855 9.763 ( 6.254 5.129 1.807) 8.287 10.076 ( -1.604 -1.051 -9.764) 9.951 10.376 ( -6.266 -4.504 3.725) 8.568 10.691 ( 0.510 -0.764 -5.218) 5.299 10.752 ( 1.002 4.672 3.693) 6.039 10.976 ( 9.664 -9.504 8.022) 15.750 11.318 ( 2.976 0.328 3.892) 4.911 11.548 ( -2.900 2.092 0.097) 3.578 11.783 ( -2.693 12.067 0.649) 12.380 11.958 ( 5.143 2.512 0.965) 5.805 12.528 ( 0.649 -6.825 -8.342) 10.798 12.729 ( -8.187 1.781 -1.716) 8.552 12.943 ( -0.457 -4.707 -4.539) 6.555 13.318 ( -4.041 -8.887 -12.018) 15.483 13.456 ( -9.181 -6.652 -2.024) 11.517 13.552 ( 6.071 5.682 -4.877) 9.640 13.873 ( 0.050 2.974 -5.301) 6.079 13.999 ( 2.410 3.226 -0.778) 4.102 14.310 ( -4.505 2.059 0.746) 5.009 14.598 ( 3.368 4.104 -7.578) 9.253 14.773 ( 1.169 -0.129 -7.256) 7.351 14.826 ( 0.573 0.560 -3.725) 3.811 14.969 ( -0.148 3.201 -3.490) 4.738 15.810 ( 0.576 -1.061 7.867) 7.959 15.999 ( 3.089 -1.388 0.657) 3.450 16.200 ( 3.617 -1.634 12.325) 12.948 16.765 ( -1.537 -6.582 13.950) 15.501 18.656 ( 8.888 6.151 13.098) 16.982 19.608 ( -2.275 -1.061 -6.644) 7.103 19.657 ( -5.685 -1.253 -4.688) 7.475 20.020 ( -0.860 -17.248 -6.694) 18.521 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -5.109 6.710 -4.646) 9.629 1.892 ( -9.775 3.150 -5.530) 11.664 2.290 ( 12.851 4.260 11.910) 18.031 2.548 ( 7.637 -2.654 3.256) 8.716 2.659 ( 1.083 -0.932 -7.071) 7.214 2.801 ( -2.840 -1.256 0.005) 3.105 2.905 ( -2.896 -1.927 -6.835) 7.669 2.959 ( -4.292 1.614 0.996) 4.692 3.360 ( 3.501 1.247 0.051) 3.717 3.612 ( 1.030 -2.585 -4.353) 5.166 3.873 ( 9.568 -8.374 9.790) 16.047 4.035 ( -4.871 -9.975 3.468) 11.629 4.668 ( 15.594 23.349 7.289) 29.008 5.200 ( 1.190 16.371 15.074) 22.286 5.789 ( 13.633 0.948 -4.531) 14.398 5.843 ( 15.159 -4.187 -0.042) 15.727 6.375 ( 3.682 -1.602 -8.044) 8.991 6.678 ( 5.040 3.962 -8.464) 10.618 6.893 ( 0.192 13.640 2.514) 13.871 7.003 ( -0.108 -6.305 7.523) 9.816 7.413 ( 11.024 -5.373 -15.983) 20.146 7.648 ( -15.827 13.382 -1.882) 20.811 7.928 ( 1.923 5.431 -6.594) 8.756 8.193 ( -18.039 1.475 -13.485) 22.571 8.377 ( -12.227 -6.875 -10.478) 17.508 8.581 ( -8.367 -0.765 -8.038) 11.628 8.753 ( -2.173 0.868 -4.041) 4.670 9.072 ( 4.959 3.835 3.326) 7.096 9.590 ( -6.336 -2.075 4.708) 8.162 9.966 ( 11.659 0.164 6.590) 13.393 10.118 ( -12.526 3.811 2.144) 13.267 10.234 ( 10.223 0.504 -4.130) 11.037 10.667 ( -3.935 -1.620 -2.971) 5.190 10.735 ( -2.554 2.645 1.060) 3.827 11.188 ( 10.903 -9.829 7.494) 16.482 11.379 ( 2.455 -5.950 7.860) 10.160 11.538 ( 2.618 5.602 3.981) 7.354 11.774 ( -0.065 10.870 6.637) 12.736 12.046 ( 4.410 1.078 1.872) 4.911 12.501 ( -6.259 -2.504 -1.926) 7.011 12.602 ( -1.804 -0.119 -6.400) 6.650 12.904 ( -3.933 -3.456 -5.294) 7.446 13.190 ( -7.104 -9.896 -6.229) 13.682 13.294 ( -6.334 -9.647 -2.623) 11.835 13.694 ( 7.191 6.194 -4.142) 10.356 13.878 ( 0.448 4.745 -5.239) 7.083 14.044 ( 2.133 1.756 0.082) 2.764 14.222 ( -4.507 1.122 -0.377) 4.660 14.681 ( 4.543 1.800 -9.749) 10.905 14.787 ( 0.437 -0.098 -5.357) 5.375 14.830 ( -0.196 2.157 -4.058) 4.600 14.946 ( -2.406 1.884 -4.642) 5.557 15.845 ( 3.697 0.144 2.079) 4.244 16.033 ( 0.387 -0.186 0.139) 0.451 16.283 ( 5.242 -3.447 15.133) 16.382 16.714 ( -4.555 -6.785 15.398) 17.433 18.860 ( 11.620 4.760 6.746) 14.254 19.518 ( -8.556 -0.308 -5.557) 10.207 19.594 ( 1.273 -1.939 -11.137) 11.376 19.947 ( -6.179 -12.188 -10.250) 17.082 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -1.023 7.146 -7.832) 10.652 1.708 ( -7.378 6.198 -7.521) 12.224 2.518 ( 10.028 3.027 7.081) 12.644 2.663 ( -2.440 -0.324 2.622) 3.596 2.719 ( 5.149 -1.586 -4.695) 7.146 2.741 ( 1.581 -0.015 -0.860) 1.800 2.837 ( -3.717 -0.923 -5.143) 6.413 2.875 ( -4.632 -0.364 3.968) 6.110 3.435 ( 4.700 -1.249 -1.992) 5.255 3.546 ( -6.140 -2.052 -4.135) 7.682 3.968 ( 3.541 -13.142 9.510) 16.604 4.019 ( -0.759 -13.087 8.914) 15.852 4.945 ( 12.269 22.831 8.433) 27.256 5.137 ( -7.101 21.906 11.291) 25.647 6.102 ( 15.103 -5.075 -1.911) 16.047 6.185 ( 13.644 -10.836 -2.015) 17.539 6.408 ( 3.161 2.243 -3.283) 5.079 6.639 ( -11.090 6.529 -4.094) 13.505 6.955 ( 6.222 14.884 -7.145) 17.644 7.035 ( 2.663 5.200 -9.455) 11.114 7.336 ( -7.818 7.459 -3.840) 11.467 7.500 ( -11.841 -5.788 -11.364) 17.402 7.892 ( 5.572 -3.801 -16.219) 17.565 8.107 ( 0.012 3.642 -13.763) 14.236 8.137 ( -4.261 -0.257 -8.624) 9.623 8.352 ( -13.124 7.870 -14.222) 20.891 8.864 ( 9.932 -3.597 5.610) 11.961 9.051 ( -7.185 -1.474 7.204) 10.281 9.582 ( 6.202 3.410 1.304) 7.197 9.792 ( -14.257 4.328 1.034) 14.935 10.265 ( 14.326 -1.320 5.941) 15.565 10.462 ( 7.813 0.301 -3.356) 8.509 10.530 ( -7.201 0.155 2.436) 7.604 10.651 ( -6.434 0.924 -1.482) 6.667 11.351 ( 5.170 -9.553 7.496) 13.198 11.401 ( -0.443 -9.159 8.422) 12.450 11.636 ( 6.468 8.132 9.346) 13.976 11.742 ( -3.599 9.012 10.296) 14.148 12.154 ( 7.086 1.345 0.496) 7.230 12.323 ( -9.784 0.577 -0.148) 9.802 12.644 ( 4.901 -2.241 -7.896) 9.559 12.778 ( -8.008 -2.439 -7.729) 11.393 13.129 ( 0.934 -10.771 -0.663) 10.831 13.189 ( -4.558 -10.542 -1.464) 11.578 13.816 ( 4.948 6.379 -4.853) 9.419 13.876 ( -1.203 5.858 -5.194) 7.921 14.084 ( 2.150 0.669 0.082) 2.253 14.139 ( -3.696 0.562 -0.552) 3.779 14.765 ( 3.716 0.166 -7.261) 8.159 14.795 ( 0.225 0.960 -3.619) 3.751 14.823 ( 0.168 1.851 -5.932) 6.216 14.877 ( -4.207 0.931 -7.381) 8.547 15.941 ( 5.173 1.114 -2.020) 5.664 16.016 ( -2.266 0.798 -1.792) 2.997 16.411 ( 7.953 -5.156 17.577) 19.970 16.581 ( -8.595 -6.313 17.334) 20.352 19.096 ( 12.260 2.938 0.360) 12.612 19.326 ( -10.988 1.125 -4.044) 11.763 19.665 ( 5.748 -4.167 -13.349) 15.119 19.803 ( -7.876 -7.690 -12.673) 16.786 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.000 9.103 14.829) 17.400 1.796 ( 0.000 12.197 7.801) 14.478 2.135 ( 0.000 0.651 4.130) 4.181 2.405 ( 0.000 -4.116 -3.068) 5.133 2.645 ( 0.000 -7.363 -0.656) 7.392 2.827 ( 0.000 -1.195 11.908) 11.968 2.921 ( 0.000 4.156 -4.458) 6.095 2.968 ( 0.000 -8.534 -2.636) 8.932 3.417 ( 0.000 4.185 -4.352) 6.038 3.420 ( 0.000 6.928 -15.761) 17.217 3.555 ( 0.000 13.477 -4.379) 14.170 4.180 ( 0.000 -14.401 -6.312) 15.723 4.647 ( 0.000 25.086 -0.838) 25.100 5.093 ( 0.000 1.490 23.237) 23.284 5.567 ( 0.000 -4.116 -4.107) 5.814 5.634 ( 0.000 -8.724 16.757) 18.892 6.133 ( 0.000 11.540 -17.293) 20.790 6.340 ( 0.000 8.694 14.649) 17.034 6.680 ( 0.000 -5.529 -13.941) 14.997 7.055 ( 0.000 -10.697 16.387) 19.569 7.498 ( 0.000 28.613 5.278) 29.096 7.811 ( 0.000 -5.244 -11.651) 12.777 7.860 ( 0.000 -7.869 11.036) 13.554 8.574 ( 0.000 -15.176 -1.517) 15.252 8.598 ( 0.000 7.445 -1.134) 7.531 8.840 ( 0.000 -1.829 -6.332) 6.591 8.976 ( 0.000 12.797 1.729) 12.913 9.264 ( 0.000 -0.780 1.803) 1.964 9.636 ( 0.000 -1.213 1.414) 1.863 9.919 ( 0.000 -8.548 -1.607) 8.697 10.177 ( 0.000 -2.353 7.575) 7.932 10.339 ( 0.000 -7.574 9.971) 12.521 10.582 ( 0.000 2.370 -12.725) 12.943 10.621 ( 0.000 1.226 -2.685) 2.952 10.808 ( 0.000 7.094 4.221) 8.255 11.246 ( 0.000 -10.532 1.987) 10.718 11.688 ( 0.000 11.447 -3.365) 11.931 11.977 ( 0.000 10.935 2.801) 11.288 12.223 ( 0.000 -6.376 -10.511) 12.294 12.271 ( 0.000 -5.283 -13.739) 14.719 12.853 ( 0.000 0.502 -4.920) 4.945 12.923 ( 0.000 -3.974 -7.984) 8.918 13.284 ( 0.000 7.226 -2.884) 7.781 13.564 ( 0.000 1.797 -10.216) 10.373 13.592 ( 0.000 -7.185 -8.095) 10.824 13.715 ( 0.000 -4.354 4.281) 6.106 14.164 ( 0.000 10.485 -6.383) 12.275 14.563 ( 0.000 -7.852 -5.973) 9.866 14.607 ( 0.000 8.456 1.312) 8.557 14.759 ( 0.000 0.348 -6.203) 6.213 14.783 ( 0.000 3.684 -8.752) 9.496 14.942 ( 0.000 -1.186 -4.948) 5.088 15.725 ( 0.000 0.681 6.626) 6.661 15.865 ( 0.000 -6.494 2.270) 6.879 16.178 ( 0.000 9.664 17.080) 19.625 16.652 ( 0.000 -11.176 15.433) 19.055 18.683 ( 0.000 11.973 15.186) 19.339 19.395 ( 0.000 -22.419 11.990) 25.423 19.680 ( 0.000 -0.156 -2.073) 2.078 19.731 ( 0.000 -2.466 -2.650) 3.620 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 5.635 6.775 13.970) 16.517 1.897 ( 4.884 3.216 5.597) 8.094 2.173 ( 4.220 6.692 7.247) 10.729 2.444 ( 3.680 -1.803 -5.135) 6.570 2.617 ( -1.904 -5.465 0.566) 5.815 2.746 ( -6.384 1.202 4.110) 7.687 2.958 ( 0.647 -0.114 -6.292) 6.326 2.994 ( 2.761 -11.491 3.217) 12.249 3.396 ( 0.381 8.343 -6.790) 10.764 3.455 ( 1.715 4.361 -11.706) 12.609 3.593 ( 3.603 11.379 -3.042) 12.317 4.128 ( -5.082 -12.885 -5.646) 14.957 4.708 ( 6.848 24.290 0.804) 25.250 5.114 ( 2.329 1.234 19.886) 20.060 5.529 ( -0.692 -2.702 7.927) 8.403 5.692 ( 3.666 -2.997 5.572) 7.313 6.199 ( 5.900 8.375 -15.914) 18.927 6.414 ( 7.076 6.340 10.112) 13.875 6.698 ( 2.159 -5.086 -8.848) 10.431 7.063 ( 0.447 -11.204 10.678) 15.484 7.463 ( -3.256 25.496 1.563) 25.751 7.838 ( 3.220 -1.716 -3.139) 4.813 7.870 ( 1.270 -5.931 5.659) 8.296 8.521 ( -3.388 -7.833 -3.016) 9.052 8.635 ( 0.074 -1.747 -0.732) 1.895 8.771 ( -6.798 -1.451 -6.776) 9.707 8.994 ( 2.703 11.799 0.117) 12.105 9.305 ( 1.036 -0.569 5.603) 5.726 9.656 ( 0.400 2.974 4.181) 5.146 9.855 ( -9.205 -0.347 -7.097) 11.629 10.115 ( -1.926 -7.181 -1.645) 7.614 10.194 ( -3.666 -7.224 0.149) 8.103 10.626 ( 3.488 -0.413 1.756) 3.927 10.709 ( 1.353 -2.935 0.890) 3.352 10.862 ( 5.606 7.813 4.999) 10.838 11.223 ( -1.587 -8.657 3.667) 9.534 11.707 ( 0.938 9.991 -3.297) 10.563 11.991 ( 0.943 7.985 1.899) 8.262 12.153 ( -6.269 4.518 -11.166) 13.578 12.292 ( 2.746 -9.363 -8.177) 12.731 12.843 ( -1.749 -2.336 -5.903) 6.585 12.884 ( -2.482 -0.575 -6.341) 6.834 13.264 ( -4.085 -0.314 -7.541) 8.582 13.465 ( -7.667 -6.905 -5.134) 11.525 13.594 ( 1.766 3.684 -5.238) 6.643 13.788 ( 4.891 -3.538 -0.773) 6.086 14.154 ( -1.027 9.614 -5.747) 11.248 14.450 ( -6.631 -1.415 -2.977) 7.405 14.657 ( 0.974 3.380 -1.874) 3.986 14.735 ( 0.292 -0.155 -7.979) 7.986 14.838 ( 3.553 3.982 -6.104) 8.107 14.990 ( 3.144 -0.040 -5.339) 6.196 15.750 ( 2.024 -0.648 7.004) 7.319 15.874 ( 1.236 -5.886 2.226) 6.413 16.196 ( 1.544 7.615 15.979) 17.768 16.623 ( -2.279 -10.367 15.273) 18.599 18.726 ( 4.332 12.126 13.815) 18.886 19.456 ( 4.918 -21.896 7.913) 23.795 19.663 ( -1.483 -0.771 -3.355) 3.748 19.707 ( -2.388 -2.532 -3.521) 4.951 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 3.208 2.300 4.341) 5.867 1.940 ( 6.046 -1.980 10.840) 12.569 2.212 ( -2.911 7.153 13.655) 15.687 2.543 ( 5.877 7.138 -9.744) 13.433 2.603 ( 0.890 -2.150 0.982) 2.525 2.655 ( -1.707 -5.793 1.477) 6.217 2.921 ( -2.962 -3.154 -6.330) 7.668 3.024 ( -0.809 -8.138 -0.111) 8.179 3.427 ( 0.680 7.177 -4.523) 8.510 3.500 ( 3.850 2.294 -7.776) 8.975 3.682 ( 5.100 5.351 0.214) 7.395 3.993 ( -8.356 -9.899 -4.038) 13.569 4.919 ( 13.741 23.287 2.160) 27.125 5.211 ( 8.858 1.236 13.847) 16.484 5.578 ( 5.837 -0.085 7.562) 9.554 5.771 ( 4.412 3.519 3.967) 6.899 6.323 ( 6.006 5.800 -13.483) 15.858 6.586 ( 9.811 4.297 0.405) 10.719 6.770 ( 4.661 -5.992 5.171) 9.186 7.082 ( 2.930 -10.866 -7.123) 13.319 7.387 ( -4.276 22.330 -1.695) 22.798 7.903 ( 2.341 4.681 -6.220) 8.129 7.953 ( 7.016 -4.392 10.525) 13.390 8.422 ( -7.541 -6.869 -8.055) 12.998 8.555 ( -12.109 -0.561 -2.619) 12.402 8.575 ( -9.075 -4.271 -2.760) 10.403 9.087 ( 4.660 8.000 3.699) 9.970 9.137 ( -15.607 8.208 -6.291) 18.723 9.612 ( -1.593 -3.219 1.006) 3.730 9.783 ( -1.124 -4.313 -0.583) 4.495 10.096 ( 8.479 3.390 -6.744) 11.352 10.286 ( 2.445 -4.071 -0.355) 4.762 10.647 ( -2.076 -1.942 -1.569) 3.247 10.740 ( 4.681 -7.403 10.151) 13.407 10.937 ( 1.506 6.255 7.823) 10.129 11.206 ( -0.372 -7.540 6.956) 10.266 11.702 ( -0.673 10.150 -3.060) 10.622 11.984 ( -1.664 3.748 2.582) 4.846 12.083 ( 0.477 9.222 -7.207) 11.714 12.360 ( 3.457 -7.685 -3.703) 9.204 12.759 ( -6.036 0.722 -6.675) 9.028 12.856 ( -1.371 -2.685 -3.765) 4.823 13.131 ( -8.117 -7.097 -10.718) 15.203 13.271 ( -11.546 -9.814 -3.539) 15.561 13.688 ( 6.765 6.498 -2.601) 9.734 13.874 ( 3.993 -1.767 -3.112) 5.362 14.130 ( -1.254 7.329 -3.894) 8.394 14.334 ( -5.304 -0.668 -2.171) 5.770 14.677 ( 1.677 2.967 -5.842) 6.764 14.752 ( 1.048 -1.136 -6.276) 6.464 14.897 ( 1.863 5.087 -5.619) 7.805 15.021 ( -0.305 1.073 -4.850) 4.977 15.787 ( 2.124 -0.433 6.896) 7.228 15.927 ( 4.011 -5.254 2.412) 7.037 16.222 ( 0.855 4.452 14.591) 15.278 16.583 ( -1.883 -9.955 14.114) 17.374 18.845 ( 7.559 11.636 9.689) 16.923 19.523 ( 1.045 -13.616 -0.968) 13.690 19.624 ( -3.883 -1.680 -5.442) 6.893 19.659 ( -0.789 -7.953 -4.872) 9.360 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -2.390 5.460 3.503) 6.914 2.033 ( -6.033 10.720 6.023) 13.696 2.205 ( 9.546 -8.525 13.736) 18.774 2.603 ( -1.290 -9.242 7.428) 11.927 2.644 ( 4.544 5.094 -5.197) 8.579 2.695 ( 4.011 2.096 -6.340) 7.789 2.868 ( -2.149 -2.879 -6.255) 7.213 2.977 ( -3.491 -2.804 -1.131) 4.619 3.421 ( -0.229 4.753 -3.997) 6.215 3.563 ( 1.390 -1.097 -2.374) 2.961 3.755 ( 0.842 -2.948 3.558) 4.697 3.832 ( -6.509 -8.079 -1.351) 10.463 5.186 ( 12.999 21.441 3.630) 25.335 5.470 ( 14.684 6.735 10.091) 19.047 5.745 ( 10.282 -2.034 4.677) 11.478 5.861 ( 5.746 4.236 -1.130) 7.227 6.428 ( 5.274 6.947 -8.887) 12.452 6.778 ( 8.701 4.069 -10.153) 13.977 6.858 ( 5.450 -4.981 5.258) 9.064 7.216 ( 8.998 -9.987 -13.806) 19.269 7.300 ( -3.704 19.118 -3.296) 19.750 7.872 ( -9.798 8.331 -10.348) 16.507 8.012 ( -6.758 -2.912 -0.322) 7.365 8.174 ( -15.147 -7.885 -13.073) 21.506 8.287 ( -5.947 5.295 -6.116) 10.041 8.518 ( 3.729 -4.127 8.091) 9.819 8.840 ( -12.257 7.177 -6.463) 15.605 9.131 ( -3.412 -0.410 4.745) 5.859 9.582 ( 2.394 2.890 -0.652) 3.809 9.898 ( 10.509 -6.556 -1.580) 12.487 10.193 ( -9.722 4.071 0.513) 10.553 10.327 ( 11.473 5.539 -1.332) 12.809 10.576 ( -4.539 -3.259 0.703) 5.632 10.836 ( 0.476 0.755 6.936) 6.994 10.976 ( 5.311 -6.358 10.178) 13.123 11.190 ( -1.254 -9.462 9.467) 13.444 11.734 ( 4.466 11.020 0.088) 11.891 11.963 ( -0.243 5.081 4.594) 6.854 12.133 ( 3.775 7.281 -4.195) 9.212 12.399 ( -0.396 -6.278 -2.278) 6.690 12.634 ( -5.673 2.981 -5.596) 8.508 12.815 ( -2.866 -4.509 -4.162) 6.773 12.964 ( -8.987 -9.617 -8.617) 15.732 13.062 ( -8.520 -11.397 -1.972) 14.366 13.827 ( 7.057 5.807 -2.559) 9.491 13.946 ( 3.328 1.022 -4.222) 5.472 14.109 ( -0.895 4.263 -1.975) 4.783 14.236 ( -4.789 -0.291 -1.902) 5.161 14.721 ( 2.677 1.799 -7.104) 7.802 14.777 ( 1.583 -0.697 -5.835) 6.086 14.902 ( -1.287 3.825 -5.442) 6.775 14.980 ( -3.632 0.838 -4.754) 6.041 15.862 ( 5.763 1.807 4.666) 7.632 16.012 ( 4.131 -2.650 3.014) 5.759 16.232 ( 0.493 0.380 13.548) 13.562 16.527 ( -4.413 -10.064 13.417) 17.343 19.011 ( 9.126 9.524 3.790) 13.724 19.514 ( -6.069 -0.543 -6.558) 8.952 19.525 ( -0.530 -5.750 -8.214) 10.040 19.649 ( -1.354 -12.416 -6.928) 14.282 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.884 10.731 4.283) 11.588 1.899 ( -5.614 12.386 5.398) 14.631 2.406 ( 9.166 -12.229 8.790) 17.630 2.545 ( -4.964 -12.970 7.456) 15.763 2.725 ( 3.436 2.364 -5.688) 7.054 2.756 ( 1.142 3.593 -6.081) 7.155 2.848 ( 0.718 0.708 -3.300) 3.451 2.902 ( -3.887 0.177 -0.094) 3.892 3.444 ( 2.896 2.745 -2.710) 4.824 3.527 ( -4.632 1.035 -2.216) 5.239 3.733 ( 0.544 -9.007 4.277) 9.986 3.771 ( -2.343 -9.356 4.325) 10.570 5.424 ( 11.016 19.929 5.800) 23.498 5.583 ( -3.695 17.954 9.999) 20.880 5.956 ( 9.486 -9.057 0.733) 13.135 6.005 ( 5.159 -4.729 -0.813) 7.046 6.577 ( 11.381 12.337 -6.530) 18.011 6.807 ( -7.335 8.199 -10.153) 14.971 7.061 ( 14.366 -1.757 -11.235) 18.322 7.272 ( 5.637 10.053 -4.448) 12.354 7.324 ( -5.702 -5.252 -17.630) 19.259 7.535 ( -18.931 8.694 -11.575) 23.832 7.799 ( -1.940 -4.624 -17.417) 18.125 7.945 ( -11.607 -11.229 -10.732) 19.391 8.358 ( 9.420 12.069 0.369) 15.314 8.555 ( -8.327 10.576 0.219) 13.463 8.759 ( 9.246 -5.864 6.268) 12.616 8.979 ( -10.732 -5.791 8.128) 14.655 9.715 ( 9.898 9.194 -1.840) 13.634 9.937 ( -11.863 9.109 -1.184) 15.004 10.159 ( 12.293 -7.847 -1.351) 14.646 10.383 ( -8.519 -8.385 -4.611) 12.812 10.595 ( 8.540 7.636 8.661) 14.362 10.755 ( -6.922 6.787 8.715) 13.036 11.096 ( 4.944 -13.614 9.140) 17.127 11.160 ( -2.009 -12.398 9.821) 15.943 11.858 ( 7.125 12.061 3.892) 14.539 11.954 ( -1.920 10.313 5.838) 12.006 12.214 ( 4.487 3.593 -3.089) 6.526 12.321 ( -6.279 -2.239 -2.998) 7.310 12.597 ( 2.348 -0.589 -6.106) 6.569 12.706 ( -7.760 -3.750 -7.852) 11.659 12.872 ( 0.689 -11.973 -1.477) 12.084 12.936 ( -5.000 -12.378 -1.529) 13.437 13.950 ( 5.048 5.593 -3.395) 8.264 13.995 ( 0.903 4.575 -4.810) 6.699 14.097 ( 0.273 0.564 -0.787) 1.006 14.146 ( -4.214 -0.237 -1.580) 4.506 14.782 ( 3.470 1.274 -5.984) 7.034 14.816 ( 2.062 0.655 -4.772) 5.239 14.859 ( -2.369 1.522 -6.109) 6.727 14.897 ( -4.328 0.519 -5.758) 7.222 15.987 ( 5.924 3.377 2.142) 7.147 16.056 ( -0.560 3.195 2.326) 3.991 16.274 ( 4.815 -6.953 13.901) 16.271 16.407 ( -7.485 -9.397 13.692) 18.215 19.193 ( 9.299 6.228 -1.969) 11.364 19.367 ( -8.379 2.857 -5.738) 10.550 19.547 ( 2.247 -6.912 -10.517) 12.784 19.603 ( -3.026 -9.849 -9.659) 14.123 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 -4.067 4.665) 6.189 1.851 ( 0.000 4.067 4.665) 6.189 2.294 ( 0.000 -7.416 -1.124) 7.501 2.294 ( 0.000 7.416 -1.124) 7.501 2.623 ( 0.000 -8.612 12.664) 15.314 2.623 ( 0.000 8.612 12.664) 15.314 2.952 ( 0.000 -1.351 -6.019) 6.169 2.952 ( 0.000 1.351 -6.019) 6.169 3.490 ( 0.000 -0.503 -13.469) 13.478 3.490 ( 0.000 0.503 -13.469) 13.478 3.862 ( 0.000 -15.166 -6.129) 16.357 3.862 ( 0.000 15.166 -6.129) 16.357 5.026 ( 0.000 -9.768 8.949) 13.247 5.026 ( 0.000 9.768 8.949) 13.247 5.522 ( 0.000 -1.245 12.339) 12.402 5.522 ( 0.000 1.245 12.339) 12.402 6.365 ( 0.000 -8.577 -16.738) 18.808 6.365 ( 0.000 8.577 -16.738) 18.808 6.760 ( 0.000 -14.075 18.148) 22.967 6.760 ( 0.000 14.075 18.148) 22.967 7.755 ( 0.000 -0.829 -0.826) 1.170 7.755 ( 0.000 0.829 -0.826) 1.170 8.119 ( 0.000 -26.852 2.108) 26.934 8.119 ( 0.000 26.852 2.108) 26.934 8.749 ( 0.000 -6.266 -3.380) 7.119 8.749 ( 0.000 6.266 -3.380) 7.119 9.189 ( 0.000 -6.776 1.140) 6.871 9.189 ( 0.000 6.776 1.140) 6.871 9.720 ( 0.000 -8.118 -0.174) 8.120 9.720 ( 0.000 8.118 -0.174) 8.120 10.203 ( 0.000 -4.289 8.919) 9.897 10.203 ( 0.000 4.289 8.919) 9.897 10.620 ( 0.000 -1.147 -8.259) 8.338 10.620 ( 0.000 1.147 -8.259) 8.338 11.007 ( 0.000 -11.096 3.529) 11.644 11.007 ( 0.000 11.096 3.529) 11.644 11.952 ( 0.000 -13.330 -4.883) 14.197 11.952 ( 0.000 13.330 -4.883) 14.197 12.187 ( 0.000 -7.647 -4.605) 8.927 12.187 ( 0.000 7.647 -4.605) 8.927 12.875 ( 0.000 -1.327 -7.536) 7.652 12.875 ( 0.000 1.327 -7.536) 7.652 13.426 ( 0.000 -6.991 -10.356) 12.495 13.426 ( 0.000 6.991 -10.356) 12.495 13.633 ( 0.000 -4.103 0.761) 4.173 13.633 ( 0.000 4.103 0.761) 4.173 14.378 ( 0.000 -9.498 -6.039) 11.255 14.378 ( 0.000 9.498 -6.039) 11.255 14.739 ( 0.000 -3.042 -4.234) 5.213 14.739 ( 0.000 3.042 -4.234) 5.213 14.872 ( 0.000 -4.788 -5.847) 7.557 14.872 ( 0.000 4.788 -5.847) 7.557 15.759 ( 0.000 -3.116 3.909) 4.999 15.759 ( 0.000 3.116 3.909) 4.999 16.406 ( 0.000 -11.552 17.252) 20.762 16.406 ( 0.000 11.552 17.252) 20.762 18.983 ( 0.000 -16.538 13.329) 21.241 18.983 ( 0.000 16.538 13.329) 21.241 19.691 ( 0.000 -1.239 -2.669) 2.942 19.691 ( 0.000 1.239 -2.669) 2.942 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 1.093 -4.422 6.257) 7.739 1.856 ( 1.093 4.422 6.257) 7.739 2.362 ( 4.928 -5.897 -1.859) 7.907 2.362 ( 4.928 5.897 -1.859) 7.907 2.646 ( 2.021 -10.487 13.072) 16.880 2.646 ( 2.021 10.487 13.072) 16.880 2.908 ( -3.626 -4.215 -7.059) 8.986 2.908 ( -3.626 4.215 -7.059) 8.986 3.504 ( 1.440 -1.084 -12.967) 13.091 3.504 ( 1.440 1.084 -12.967) 13.091 3.850 ( -1.353 -12.932 -5.494) 14.116 3.850 ( -1.353 12.932 -5.494) 14.116 5.055 ( 3.550 -8.196 8.864) 12.583 5.055 ( 3.550 8.196 8.864) 12.583 5.574 ( 5.013 -6.294 10.052) 12.875 5.574 ( 5.013 6.294 10.052) 12.875 6.407 ( 4.157 -8.935 -13.420) 16.650 6.407 ( 4.157 8.935 -13.420) 16.650 6.779 ( 1.850 -13.291 13.916) 19.332 6.779 ( 1.850 13.291 13.916) 19.332 7.746 ( -0.363 -3.746 -0.894) 3.868 7.746 ( -0.363 3.746 -0.894) 3.868 8.132 ( 1.036 -23.607 1.416) 23.672 8.132 ( 1.036 23.607 1.416) 23.672 8.710 ( -4.572 -4.262 -3.948) 7.393 8.710 ( -4.572 4.262 -3.948) 7.393 9.204 ( 1.769 -7.702 2.509) 8.291 9.204 ( 1.769 7.702 2.509) 8.291 9.786 ( 0.905 -6.317 0.673) 6.417 9.786 ( 0.905 6.317 0.673) 6.417 10.061 ( -5.760 -3.257 -2.669) 7.135 10.061 ( -5.760 3.257 -2.669) 7.135 10.654 ( 0.905 -2.378 0.696) 2.638 10.654 ( 0.905 2.378 0.696) 2.638 11.032 ( 2.253 -8.544 5.103) 10.203 11.032 ( 2.253 8.544 5.103) 10.203 11.944 ( -0.984 -11.353 -5.200) 12.526 11.944 ( -0.984 11.353 -5.200) 12.526 12.204 ( 1.523 -4.697 -3.320) 5.950 12.204 ( 1.523 4.697 -3.320) 5.950 12.850 ( -2.286 -2.166 -7.669) 8.290 12.850 ( -2.286 2.166 -7.669) 8.290 13.312 ( -9.490 -5.388 -8.225) 13.665 13.312 ( -9.490 5.388 -8.225) 13.665 13.700 ( 5.110 -4.973 -1.223) 7.234 13.700 ( 5.110 4.973 -1.223) 7.234 14.341 ( -3.324 -7.668 -5.294) 9.893 14.341 ( -3.324 7.668 -5.294) 9.893 14.719 ( -0.638 -1.852 -4.830) 5.212 14.719 ( -0.638 1.852 -4.830) 5.212 14.940 ( 4.602 -4.478 -5.939) 8.747 14.940 ( 4.602 4.478 -5.939) 8.747 15.771 ( 1.332 -3.043 4.547) 5.632 15.771 ( 1.332 3.043 4.547) 5.632 16.396 ( -0.944 -10.608 16.457) 19.602 16.396 ( -0.944 10.608 16.457) 19.602 19.035 ( 4.877 -17.194 11.117) 21.048 19.035 ( 4.877 17.194 11.117) 21.048 19.669 ( -2.152 -1.109 -3.765) 4.477 19.669 ( -2.152 1.109 -3.765) 4.477 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 3.834 -1.017 7.843) 8.789 1.905 ( 3.834 1.017 7.843) 8.789 2.409 ( -1.155 -9.287 5.097) 10.657 2.409 ( -1.155 9.287 5.097) 10.657 2.683 ( 1.816 -5.018 4.368) 6.897 2.683 ( 1.816 5.018 4.368) 6.897 2.860 ( -0.586 -4.377 -6.269) 7.669 2.860 ( -0.586 4.377 -6.269) 7.669 3.532 ( 0.771 -1.455 -10.151) 10.284 3.532 ( 0.771 1.455 -10.151) 10.284 3.807 ( -3.080 -7.215 -3.777) 8.707 3.807 ( -3.080 7.215 -3.777) 8.707 5.193 ( 10.867 -3.802 6.529) 13.236 5.193 ( 10.867 3.802 6.529) 13.236 5.701 ( 7.476 -8.849 6.123) 13.103 5.701 ( 7.476 8.849 6.123) 13.103 6.515 ( 6.391 -10.444 -4.968) 13.213 6.515 ( 6.391 10.444 -4.968) 13.213 6.837 ( 4.516 -11.170 0.515) 12.060 6.837 ( 4.516 11.170 0.515) 12.060 7.756 ( 0.976 -12.128 -1.187) 12.225 7.756 ( 0.976 12.128 -1.187) 12.225 8.148 ( 0.116 -15.769 -2.185) 15.920 8.148 ( 0.116 15.769 -2.185) 15.920 8.553 ( -11.025 -0.210 -1.722) 11.161 8.553 ( -11.025 0.210 -1.722) 11.161 9.209 ( -4.599 -2.506 3.541) 6.322 9.209 ( -4.599 2.506 3.541) 6.322 9.647 ( -4.789 -6.240 -7.481) 10.855 9.647 ( -4.789 6.240 -7.481) 10.855 10.190 ( 11.390 -4.923 -2.895) 12.741 10.190 ( 11.390 4.923 -2.895) 12.741 10.635 ( -1.714 -1.673 6.330) 6.768 10.635 ( -1.714 1.673 6.330) 6.768 11.066 ( 0.373 -5.796 8.729) 10.484 11.066 ( 0.373 5.796 8.729) 10.484 11.919 ( -0.866 -8.991 -4.552) 10.114 11.919 ( -0.866 8.991 -4.552) 10.114 12.240 ( 2.070 -5.463 -1.667) 6.075 12.240 ( 2.070 5.463 -1.667) 6.075 12.797 ( -3.156 -3.400 -6.848) 8.271 12.797 ( -3.156 3.400 -6.848) 8.271 13.099 ( -11.778 -4.705 -6.861) 14.420 13.099 ( -11.778 4.705 -6.861) 14.420 13.808 ( 5.817 -4.536 -2.115) 7.673 13.808 ( 5.817 4.536 -2.115) 7.673 14.269 ( -3.784 -5.245 -3.951) 7.579 14.269 ( -3.784 5.245 -3.951) 7.579 14.725 ( 1.035 -1.641 -5.879) 6.191 14.725 ( 1.035 1.641 -5.879) 6.191 14.997 ( 0.671 -3.427 -5.718) 6.700 14.997 ( 0.671 3.427 -5.718) 6.700 15.820 ( 3.949 -3.803 5.566) 7.813 15.820 ( 3.949 3.803 5.566) 7.813 16.373 ( -1.455 -9.174 14.311) 17.061 16.373 ( -1.455 9.174 14.311) 17.061 19.148 ( 6.079 -16.892 5.832) 18.876 19.148 ( 6.079 16.892 5.832) 18.876 19.612 ( -3.530 -0.475 -6.230) 7.176 19.612 ( -3.530 0.475 -6.230) 7.176 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 5.363 -8.391 8.396) 13.025 1.997 ( 5.363 8.391 8.396) 13.025 2.330 ( -5.728 -14.101 10.031) 18.229 2.330 ( -5.728 14.101 10.031) 18.229 2.731 ( 3.042 -4.922 -3.292) 6.657 2.731 ( 3.042 4.922 -3.292) 6.657 2.867 ( 0.445 -5.797 -3.935) 7.020 2.867 ( 0.445 5.797 -3.935) 7.020 3.529 ( -0.475 -3.876 -4.828) 6.210 3.529 ( -0.475 3.876 -4.828) 6.210 3.729 ( -4.873 -1.080 -1.742) 5.286 3.729 ( -4.873 1.080 -1.742) 5.286 5.461 ( 15.324 -6.079 2.629) 16.694 5.461 ( 15.324 6.079 2.629) 16.694 5.842 ( 6.058 -6.747 5.464) 10.587 5.842 ( 6.058 6.747 5.464) 10.587 6.644 ( 7.417 -11.320 -2.515) 13.765 6.644 ( 7.417 11.320 -2.515) 13.765 6.967 ( 8.288 -10.398 -12.220) 18.060 6.967 ( 8.288 10.398 -12.220) 18.060 7.735 ( -4.275 -19.107 -2.514) 19.741 7.735 ( -4.275 19.107 -2.514) 19.741 8.035 ( -15.055 -6.703 -16.620) 23.406 8.035 ( -15.055 6.703 -16.620) 23.406 8.421 ( 2.602 -5.503 8.246) 10.250 8.421 ( 2.602 5.503 8.246) 10.250 9.022 ( -11.361 -8.602 2.354) 14.443 9.022 ( -11.361 8.602 2.354) 14.443 9.722 ( 9.468 -8.907 -4.782) 13.850 9.722 ( 9.468 8.907 -4.782) 13.850 10.307 ( -1.708 -5.800 -3.606) 7.040 10.307 ( -1.708 5.800 -3.606) 7.040 10.663 ( 5.836 -9.964 9.011) 14.647 10.663 ( 5.836 9.964 9.011) 14.647 11.029 ( -4.017 -5.781 11.260) 13.279 11.029 ( -4.017 5.781 11.260) 13.279 11.947 ( 4.338 -7.191 -2.816) 8.858 11.947 ( 4.338 7.191 -2.816) 8.858 12.275 ( 0.972 -5.676 -0.713) 5.803 12.275 ( 0.972 5.676 -0.713) 5.803 12.722 ( -4.415 -4.878 -5.273) 8.431 12.722 ( -4.415 4.878 -5.273) 8.431 12.877 ( -10.183 -3.466 -5.545) 12.102 12.877 ( -10.183 3.466 -5.545) 12.102 13.923 ( 5.827 -2.987 -2.484) 7.003 13.923 ( 5.827 2.987 -2.484) 7.003 14.197 ( -3.616 -3.384 -2.980) 5.780 14.197 ( -3.616 3.384 -2.980) 5.780 14.755 ( 2.110 -1.383 -6.318) 6.803 14.755 ( 2.110 1.383 -6.318) 6.803 14.968 ( -3.216 -2.043 -5.165) 6.419 14.968 ( -3.216 2.043 -5.165) 6.419 15.928 ( 6.940 -4.231 6.144) 10.189 15.928 ( 6.940 4.231 6.144) 10.189 16.327 ( -3.625 -7.904 11.695) 14.573 16.327 ( -3.625 7.904 11.695) 14.573 19.260 ( 5.364 -13.798 -0.308) 14.807 19.260 ( 5.364 13.798 -0.308) 14.807 19.536 ( -4.172 -1.886 -8.190) 9.383 19.536 ( -4.172 1.886 -8.190) 9.383 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 5.608 -14.452 8.921) 17.885 2.106 ( 5.608 14.452 8.921) 17.885 2.216 ( -5.748 -16.439 9.814) 19.990 2.216 ( -5.748 16.439 9.814) 19.990 2.796 ( 3.431 -2.881 -3.977) 5.990 2.796 ( 3.431 2.881 -3.977) 5.990 2.854 ( -2.050 -2.879 -4.010) 5.345 2.854 ( -2.050 2.879 -4.010) 5.345 3.544 ( 2.560 -4.931 -0.854) 5.621 3.544 ( 2.560 4.931 -0.854) 5.621 3.626 ( -5.269 -3.771 -0.317) 6.487 3.626 ( -5.269 3.770 -0.317) 6.487 5.736 ( 11.726 -9.454 2.933) 15.346 5.736 ( 11.726 9.454 2.933) 15.346 5.884 ( -2.759 -7.295 5.641) 9.626 5.884 ( -2.759 7.295 5.641) 9.626 6.854 ( 14.164 -9.335 -9.597) 19.490 6.854 ( 14.164 9.335 -9.597) 19.491 7.069 ( -2.329 -7.911 -13.980) 16.232 7.069 ( -2.329 7.911 -13.980) 16.232 7.615 ( -3.942 -10.454 -7.410) 13.407 7.615 ( -3.942 10.454 -7.410) 13.407 7.717 ( -12.791 -0.695 -19.476) 23.311 7.717 ( -12.791 0.695 -19.476) 23.311 8.584 ( 11.178 -8.662 8.281) 16.388 8.584 ( 11.178 8.662 8.281) 16.388 8.805 ( -11.117 -10.038 5.606) 15.994 8.805 ( -11.117 10.038 5.606) 15.994 9.942 ( 12.179 -10.966 -3.306) 16.718 9.942 ( 12.179 10.966 -3.306) 16.718 10.170 ( -10.433 -10.888 -3.132) 15.402 10.170 ( -10.433 10.888 -3.132) 15.402 10.804 ( 7.135 -11.276 10.041) 16.700 10.804 ( 7.135 11.276 10.041) 16.700 10.929 ( -5.794 -8.295 11.600) 15.393 10.929 ( -5.794 8.295 11.600) 15.393 12.082 ( 8.714 -4.544 -1.492) 9.940 12.082 ( 8.714 4.544 -1.492) 9.940 12.238 ( -5.635 -0.477 -0.668) 5.694 12.238 ( -5.635 0.477 -0.668) 5.694 12.661 ( -0.271 -4.488 -4.368) 6.268 12.661 ( -0.271 4.488 -4.368) 6.268 12.721 ( -5.757 -4.717 -4.110) 8.502 12.721 ( -5.757 4.717 -4.110) 8.502 14.031 ( 5.152 -1.594 -2.622) 5.997 14.031 ( 5.152 1.594 -2.622) 5.997 14.122 ( -4.188 -1.806 -2.639) 5.269 14.122 ( -4.188 1.806 -2.639) 5.269 14.810 ( 3.524 -1.096 -5.837) 6.905 14.810 ( 3.524 1.096 -5.837) 6.905 14.889 ( -4.376 -1.145 -5.185) 6.881 14.889 ( -4.376 1.145 -5.185) 6.881 16.078 ( 8.082 -4.142 7.178) 11.575 16.078 ( 8.082 4.142 7.178) 11.575 16.226 ( -6.629 -5.856 9.175) 12.744 16.226 ( -6.629 5.856 9.175) 12.744 19.359 ( 4.831 -9.304 -5.397) 11.792 19.359 ( 4.831 9.304 -5.397) 11.792 19.451 ( -4.541 -5.132 -8.113) 10.619 19.451 ( -4.541 5.132 -8.113) 10.619 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 0.000 10.248) 10.248 1.845 ( 0.000 0.000 21.819) 21.819 2.037 ( 0.000 0.000 -14.138) 14.138 2.535 ( 0.000 0.000 -0.115) 0.115 2.607 ( 0.000 0.000 -8.536) 8.536 2.771 ( 0.000 0.000 -9.405) 9.405 2.850 ( 0.000 0.000 -3.110) 3.110 3.051 ( 0.000 0.000 -10.364) 10.364 3.104 ( 0.000 0.000 8.270) 8.270 3.456 ( 0.000 0.000 3.045) 3.045 3.635 ( 0.000 0.000 25.414) 25.414 3.998 ( 0.000 0.000 13.439) 13.439 4.475 ( 0.000 0.000 -5.909) 5.909 5.078 ( 0.000 0.000 -13.788) 13.788 5.572 ( 0.000 0.000 19.908) 19.908 5.780 ( 0.000 0.000 -6.637) 6.637 6.250 ( 0.000 0.000 13.971) 13.971 6.297 ( 0.000 0.000 -24.136) 24.136 6.599 ( 0.000 0.000 21.823) 21.823 6.758 ( 0.000 0.000 2.431) 2.431 7.419 ( 0.000 0.000 -23.996) 23.996 7.639 ( 0.000 0.000 17.205) 17.205 8.319 ( 0.000 0.000 -6.138) 6.138 8.560 ( 0.000 0.000 -5.467) 5.467 8.709 ( 0.000 0.000 8.806) 8.806 8.737 ( 0.000 0.000 26.775) 26.775 8.740 ( 0.000 0.000 -8.575) 8.575 9.073 ( 0.000 0.000 -14.966) 14.966 9.852 ( 0.000 0.000 -12.509) 12.509 10.070 ( 0.000 0.000 2.533) 2.533 10.159 ( 0.000 0.000 -11.667) 11.667 10.195 ( 0.000 0.000 -9.841) 9.841 10.561 ( 0.000 0.000 8.533) 8.533 10.864 ( 0.000 0.000 10.308) 10.308 10.888 ( 0.000 0.000 6.118) 6.118 11.305 ( 0.000 0.000 -3.411) 3.411 11.349 ( 0.000 0.000 -2.120) 2.120 11.756 ( 0.000 0.000 -16.736) 16.736 11.897 ( 0.000 0.000 14.300) 14.300 12.398 ( 0.000 0.000 -3.913) 3.913 12.887 ( 0.000 0.000 -13.261) 13.261 12.903 ( 0.000 0.000 0.538) 0.538 13.167 ( 0.000 0.000 8.701) 8.701 13.188 ( 0.000 0.000 -15.184) 15.184 13.588 ( 0.000 0.000 -7.909) 7.909 13.715 ( 0.000 0.000 -6.266) 6.266 13.973 ( 0.000 0.000 2.626) 2.626 14.459 ( 0.000 0.000 -12.262) 12.262 14.498 ( 0.000 0.000 6.541) 6.541 14.507 ( 0.000 0.000 -2.818) 2.818 14.757 ( 0.000 0.000 -4.723) 4.723 14.806 ( 0.000 0.000 -3.080) 3.080 15.929 ( 0.000 0.000 7.569) 7.569 16.073 ( 0.000 0.000 0.933) 0.933 16.347 ( 0.000 0.000 19.991) 19.991 17.064 ( 0.000 0.000 1.306) 1.306 18.837 ( 0.000 0.000 20.867) 20.867 19.703 ( 0.000 0.000 1.734) 1.734 19.707 ( 0.000 0.000 -6.123) 6.123 20.075 ( 0.000 0.000 -7.587) 7.587 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.978 0.000 5.358) 5.447 1.966 ( 10.752 0.000 17.611) 20.634 1.972 ( -6.336 0.000 -13.926) 15.299 2.559 ( 2.311 0.000 1.284) 2.643 2.587 ( -1.735 0.000 -7.118) 7.326 2.786 ( 0.326 0.000 -8.839) 8.845 2.869 ( 1.885 0.000 -2.006) 2.753 3.022 ( -0.239 0.000 -1.496) 1.515 3.195 ( 6.446 0.000 0.249) 6.451 3.433 ( -1.473 0.000 0.093) 1.475 3.710 ( 8.108 0.000 24.840) 26.130 4.079 ( 8.124 0.000 13.041) 15.364 4.423 ( -4.920 0.000 -4.721) 6.819 5.111 ( 2.994 0.000 -11.879) 12.251 5.548 ( -1.441 0.000 17.924) 17.982 5.844 ( 5.385 0.000 -0.077) 5.385 6.272 ( 1.665 0.000 11.745) 11.863 6.326 ( 1.606 0.000 -15.244) 15.328 6.595 ( 2.892 0.000 6.504) 7.118 6.745 ( -1.156 0.000 2.081) 2.380 7.438 ( 1.577 0.000 -21.986) 22.042 7.698 ( 3.632 0.000 16.560) 16.954 8.246 ( -23.173 0.000 12.120) 26.152 8.289 ( -2.907 0.000 -9.772) 10.196 8.612 ( 3.021 0.000 -3.567) 4.675 8.700 ( -2.459 0.000 -9.084) 9.411 9.000 ( -6.976 0.000 -10.637) 12.721 9.037 ( -3.460 0.000 4.466) 5.650 9.613 ( -2.250 0.000 -0.920) 2.431 9.961 ( -5.981 0.000 4.085) 7.243 10.120 ( -5.591 0.000 -6.631) 8.674 10.445 ( 13.842 0.000 -6.516) 15.299 10.624 ( 1.413 0.000 3.883) 4.132 10.656 ( -6.312 0.000 1.789) 6.561 11.138 ( 11.711 0.000 10.997) 16.064 11.245 ( -0.569 0.000 2.081) 2.157 11.512 ( 10.507 0.000 -3.617) 11.112 11.666 ( -6.584 0.000 -10.691) 12.556 11.915 ( 2.115 0.000 12.087) 12.271 12.419 ( 1.848 0.000 -4.149) 4.542 12.813 ( -6.151 0.000 -8.688) 10.645 12.921 ( 1.358 0.000 -1.363) 1.924 13.153 ( -2.924 0.000 -15.988) 16.253 13.248 ( 6.704 0.000 3.886) 7.749 13.540 ( -5.007 0.000 -8.940) 10.247 13.714 ( -0.015 0.000 -5.956) 5.956 13.979 ( 0.702 0.000 2.425) 2.524 14.371 ( -5.371 0.000 -4.782) 7.191 14.470 ( -1.845 0.000 -0.095) 1.848 14.578 ( 4.615 0.000 -0.929) 4.708 14.803 ( -0.358 0.000 -2.933) 2.954 14.805 ( 3.308 0.000 -5.419) 6.349 15.968 ( 2.956 0.000 5.609) 6.341 16.033 ( -3.748 0.000 2.335) 4.416 16.405 ( 5.176 0.000 17.404) 18.157 17.047 ( -1.013 0.000 2.833) 3.009 18.851 ( 1.483 0.000 19.180) 19.237 19.647 ( -5.475 0.000 0.691) 5.518 19.667 ( -4.011 0.000 -6.362) 7.521 20.058 ( -2.137 0.000 -9.513) 9.750 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -8.554 0.000 -5.441) 10.138 1.803 ( -10.926 0.000 -14.250) 17.956 2.193 ( 11.335 0.000 9.668) 14.898 2.550 ( -1.827 0.000 -4.577) 4.929 2.630 ( 5.276 0.000 5.782) 7.827 2.764 ( -1.986 0.000 -4.671) 5.076 2.919 ( 2.969 0.000 0.070) 2.970 3.030 ( -0.507 0.000 0.755) 0.909 3.300 ( 3.452 0.000 0.355) 3.470 3.447 ( 3.124 0.000 -5.996) 6.761 3.967 ( 17.915 0.000 18.805) 25.973 4.294 ( 13.044 0.000 11.702) 17.524 4.317 ( -4.523 0.000 -0.173) 4.526 5.163 ( 1.293 0.000 -5.606) 5.754 5.572 ( 5.272 0.000 11.265) 12.438 5.920 ( 1.327 0.000 14.204) 14.266 6.296 ( 0.952 0.000 5.054) 5.143 6.384 ( 6.892 0.000 -9.417) 11.670 6.719 ( -1.675 0.000 2.520) 3.026 6.780 ( 14.861 0.000 -13.158) 19.849 7.452 ( -1.525 0.000 -17.250) 17.318 7.665 ( -8.706 0.000 8.591) 12.231 7.846 ( -17.063 0.000 4.496) 17.645 8.193 ( -8.668 0.000 -11.043) 14.038 8.532 ( -8.872 0.000 -6.315) 10.890 8.600 ( -29.441 0.000 -18.220) 34.623 8.721 ( 0.438 0.000 -5.990) 6.006 8.922 ( 3.938 0.000 0.423) 3.960 9.873 ( 18.479 0.000 15.750) 24.280 9.923 ( -1.310 0.000 4.869) 5.042 9.961 ( -5.773 0.000 -2.286) 6.209 10.520 ( -12.500 0.000 1.358) 12.573 10.598 ( -1.144 0.000 -4.869) 5.002 10.629 ( 4.852 0.000 -4.191) 6.412 11.317 ( 8.116 0.000 7.002) 10.718 11.321 ( 7.886 0.000 8.717) 11.754 11.613 ( 1.586 0.000 -0.765) 1.761 11.694 ( 7.238 0.000 3.591) 8.080 11.993 ( 5.881 0.000 5.375) 7.967 12.452 ( 1.333 0.000 -3.523) 3.767 12.678 ( -7.483 0.000 -4.923) 8.957 12.929 ( -1.224 0.000 -2.127) 2.454 13.109 ( -0.987 0.000 -17.012) 17.041 13.385 ( 6.772 0.000 -0.504) 6.791 13.402 ( -8.354 0.000 -9.879) 12.938 13.713 ( -0.134 0.000 -5.557) 5.558 14.003 ( 1.696 0.000 1.847) 2.507 14.266 ( -5.229 0.000 -4.080) 6.633 14.478 ( 2.709 0.000 1.646) 3.170 14.660 ( 3.645 0.000 -1.171) 3.828 14.794 ( -0.505 0.000 -2.308) 2.363 14.857 ( 1.851 0.000 -4.174) 4.566 15.921 ( -6.043 0.000 2.611) 6.583 16.018 ( 0.344 0.000 0.151) 0.375 16.524 ( 6.888 0.000 16.411) 17.798 17.053 ( 1.673 0.000 5.857) 6.091 18.896 ( 3.101 0.000 14.455) 14.784 19.512 ( -7.476 0.000 -2.656) 7.934 19.557 ( -7.044 0.000 -6.736) 9.746 19.972 ( -6.976 0.000 -12.860) 14.631 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -11.711 0.000 -13.034) 17.523 1.544 ( -15.016 0.000 -16.306) 22.167 2.389 ( 8.501 0.000 0.989) 8.559 2.528 ( -0.020 0.000 -4.023) 4.023 2.729 ( -1.234 0.000 1.032) 1.609 2.762 ( 7.672 0.000 7.803) 10.943 2.969 ( 1.788 0.000 2.090) 2.750 2.977 ( -4.743 0.000 3.823) 6.092 3.344 ( 1.744 0.000 -2.637) 3.162 3.487 ( -0.433 0.000 -8.739) 8.750 4.297 ( 5.265 0.000 7.189) 8.911 4.342 ( 15.282 0.000 15.186) 21.544 4.557 ( 13.312 0.000 9.738) 16.494 5.136 ( -4.157 0.000 0.447) 4.181 5.779 ( 15.900 0.000 4.879) 16.632 5.959 ( 5.663 0.000 9.189) 10.794 6.331 ( 3.266 0.000 -2.586) 4.166 6.590 ( 11.924 0.000 -3.557) 12.444 6.661 ( -4.682 0.000 2.028) 5.103 7.108 ( 14.755 0.000 -17.965) 23.248 7.253 ( -20.739 0.000 -7.530) 22.064 7.406 ( -12.453 0.000 -2.570) 12.715 7.656 ( -1.662 0.000 -7.708) 7.885 7.888 ( -21.244 0.000 -8.882) 23.026 8.097 ( -19.810 0.000 -20.924) 28.814 8.303 ( -14.311 0.000 -7.637) 16.222 8.809 ( 9.266 0.000 3.352) 9.853 9.079 ( 8.990 0.000 1.594) 9.130 9.758 ( -8.540 0.000 7.506) 11.370 10.029 ( 0.301 0.000 -2.981) 2.996 10.197 ( 14.164 0.000 12.272) 18.740 10.222 ( -10.131 0.000 0.956) 10.176 10.578 ( -2.304 0.000 -8.476) 8.784 10.652 ( -1.893 0.000 -1.721) 2.558 11.472 ( 7.453 0.000 6.184) 9.685 11.539 ( 13.284 0.000 9.646) 16.417 11.662 ( 2.026 0.000 3.847) 4.348 11.800 ( 4.161 0.000 9.260) 10.152 12.113 ( 5.574 0.000 2.533) 6.122 12.480 ( 2.045 0.000 -2.549) 3.268 12.522 ( -8.520 0.000 -2.001) 8.751 12.856 ( -6.392 0.000 -1.841) 6.652 13.114 ( 1.242 0.000 -14.037) 14.091 13.257 ( -5.540 0.000 -9.974) 11.410 13.503 ( 5.299 0.000 -3.949) 6.609 13.705 ( -0.900 0.000 -6.079) 6.145 14.042 ( 2.101 0.000 1.013) 2.332 14.173 ( -4.154 0.000 -3.147) 5.211 14.560 ( 5.330 0.000 1.500) 5.537 14.718 ( 2.310 0.000 -0.406) 2.346 14.785 ( -0.436 0.000 -1.085) 1.169 14.867 ( -1.258 0.000 -1.533) 1.983 15.823 ( -2.952 0.000 -1.712) 3.413 15.987 ( -3.304 0.000 -3.739) 4.990 16.675 ( 8.570 0.000 17.302) 19.308 17.077 ( -0.400 0.000 10.277) 10.285 18.974 ( 4.934 0.000 7.810) 9.238 19.396 ( -3.343 0.000 -8.199) 8.854 19.402 ( -8.467 0.000 -6.294) 10.550 19.791 ( -11.006 0.000 -15.248) 18.805 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.004 0.000 -17.544) 17.800 1.274 ( -10.651 0.000 -18.235) 21.118 2.508 ( 3.581 0.000 -7.356) 8.181 2.542 ( 0.244 0.000 -8.207) 8.210 2.743 ( 3.580 0.000 9.172) 9.846 2.858 ( -6.939 0.000 7.288) 10.063 2.900 ( 5.790 0.000 6.386) 8.620 2.973 ( -1.665 0.000 4.180) 4.499 3.383 ( 2.423 0.000 -5.487) 5.999 3.441 ( -3.290 0.000 -7.940) 8.595 4.432 ( 7.755 0.000 13.594) 15.650 4.519 ( 1.057 0.000 16.073) 16.108 4.802 ( 11.631 0.000 7.235) 13.697 5.005 ( -8.920 0.000 4.208) 9.863 6.175 ( 23.519 0.000 2.006) 23.605 6.218 ( 20.585 0.000 -3.478) 20.876 6.434 ( 7.100 0.000 -7.195) 10.109 6.533 ( -8.604 0.000 1.181) 8.685 6.635 ( -15.062 0.000 -1.916) 15.183 6.754 ( -26.486 0.000 -7.693) 27.581 7.138 ( 7.651 0.000 -12.223) 14.420 7.456 ( -20.773 0.000 -3.424) 21.054 7.594 ( 20.030 0.000 -12.584) 23.655 7.696 ( 4.622 0.000 -12.687) 13.503 7.827 ( -9.218 0.000 -17.011) 19.348 7.980 ( -18.555 0.000 -9.958) 21.058 9.029 ( 11.804 0.000 6.562) 13.506 9.184 ( -1.101 0.000 4.110) 4.255 9.653 ( 0.317 0.000 7.379) 7.386 9.803 ( -13.243 0.000 3.399) 13.673 10.314 ( 9.770 0.000 -7.500) 12.317 10.426 ( 9.470 0.000 6.524) 11.500 10.486 ( -7.126 0.000 -9.577) 11.937 10.574 ( -5.816 0.000 1.744) 6.072 11.599 ( 5.249 0.000 5.587) 7.665 11.668 ( -1.646 0.000 5.109) 5.368 11.772 ( 8.966 0.000 10.455) 13.773 11.852 ( 0.345 0.000 10.448) 10.454 12.212 ( 5.349 0.000 2.839) 6.056 12.350 ( -8.606 0.000 0.993) 8.663 12.553 ( 5.767 0.000 -1.718) 6.017 12.699 ( -8.636 0.000 -1.576) 8.779 13.147 ( 1.884 0.000 -10.700) 10.865 13.186 ( -2.358 0.000 -9.958) 10.234 13.597 ( 4.329 0.000 -6.545) 7.847 13.669 ( -2.897 0.000 -7.141) 7.706 14.078 ( 1.575 0.000 0.002) 1.575 14.111 ( -2.172 0.000 -1.404) 2.586 14.677 ( 6.404 0.000 1.458) 6.568 14.753 ( 1.384 0.000 0.311) 1.419 14.774 ( -0.760 0.000 0.102) 0.767 14.798 ( -5.481 0.000 0.848) 5.546 15.825 ( 2.830 0.000 -6.022) 6.654 15.905 ( -4.653 0.000 -6.481) 7.978 16.853 ( 9.214 0.000 17.559) 19.830 17.012 ( -6.299 0.000 15.183) 16.438 19.089 ( 6.820 0.000 1.091) 6.907 19.237 ( -8.230 0.000 -3.868) 9.094 19.410 ( 4.905 0.000 -13.576) 14.435 19.570 ( -10.700 0.000 -15.876) 19.145 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.000 11.113 8.742) 14.139 1.878 ( 0.000 3.130 14.939) 15.263 2.102 ( 0.000 5.393 -6.138) 8.171 2.470 ( 0.000 -5.269 1.751) 5.552 2.588 ( 0.000 -0.700 -5.519) 5.564 2.763 ( 0.000 -0.692 -10.200) 10.223 2.875 ( 0.000 1.312 -1.515) 2.004 3.096 ( 0.000 -0.280 0.666) 0.723 3.107 ( 0.000 4.889 -8.496) 9.802 3.400 ( 0.000 -5.325 -2.906) 6.066 3.539 ( 0.000 -7.323 21.621) 22.827 4.227 ( 0.000 19.606 11.814) 22.890 4.324 ( 0.000 -12.048 -6.995) 13.931 5.256 ( 0.000 12.645 -16.078) 20.455 5.557 ( 0.000 -0.074 21.545) 21.545 5.773 ( 0.000 0.185 -3.441) 3.446 6.099 ( 0.000 -7.396 -1.643) 7.577 6.428 ( 0.000 4.044 1.528) 4.323 6.609 ( 0.000 3.442 19.552) 19.853 6.984 ( 0.000 19.503 2.323) 19.640 7.455 ( 0.000 2.836 -22.246) 22.426 7.608 ( 0.000 -2.829 17.708) 17.933 8.301 ( 0.000 -4.332 -2.727) 5.119 8.575 ( 0.000 0.886 -6.643) 6.702 8.599 ( 0.000 -7.400 15.621) 17.285 8.702 ( 0.000 -3.155 -7.801) 8.415 8.845 ( 0.000 10.766 7.430) 13.081 9.143 ( 0.000 3.690 -10.739) 11.355 9.831 ( 0.000 -13.502 -1.056) 13.544 9.865 ( 0.000 0.438 -11.048) 11.056 10.177 ( 0.000 1.559 -9.010) 9.144 10.337 ( 0.000 5.202 -6.608) 8.410 10.537 ( 0.000 -1.675 9.005) 9.159 10.826 ( 0.000 -5.414 6.592) 8.530 10.840 ( 0.000 -1.165 8.022) 8.107 11.339 ( 0.000 0.405 -2.601) 2.632 11.430 ( 0.000 7.063 -2.384) 7.455 11.762 ( 0.000 2.640 -17.978) 18.171 11.966 ( 0.000 5.796 12.938) 14.177 12.322 ( 0.000 -6.913 -3.449) 7.726 12.854 ( 0.000 -2.679 -9.980) 10.334 12.867 ( 0.000 -2.713 1.869) 3.295 13.094 ( 0.000 -2.602 -10.424) 10.744 13.327 ( 0.000 8.319 1.211) 8.407 13.546 ( 0.000 -3.992 -9.469) 10.276 13.759 ( 0.000 1.982 -6.380) 6.681 13.977 ( 0.000 2.160 4.491) 4.984 14.458 ( 0.000 -0.559 -11.277) 11.290 14.535 ( 0.000 3.992 4.117) 5.735 14.557 ( 0.000 3.579 -2.783) 4.534 14.709 ( 0.000 -2.783 -3.060) 4.136 14.840 ( 0.000 1.614 -4.457) 4.740 15.900 ( 0.000 -2.532 6.721) 7.182 16.023 ( 0.000 -4.398 1.199) 4.559 16.397 ( 0.000 4.670 18.994) 19.559 17.019 ( 0.000 -4.201 3.170) 5.263 18.875 ( 0.000 3.691 19.031) 19.386 19.681 ( 0.000 -1.900 0.669) 2.014 19.685 ( 0.000 -1.882 -5.935) 6.226 19.911 ( 0.000 -14.047 -3.367) 14.445 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.225 11.676 5.135) 12.757 1.949 ( 3.308 2.183 3.384) 5.211 2.104 ( 2.895 7.787 0.695) 8.337 2.487 ( 1.616 -5.726 3.171) 6.741 2.568 ( -1.806 -0.451 -3.754) 4.190 2.783 ( 1.417 -1.036 -8.853) 9.025 2.863 ( -0.747 -0.522 -0.584) 1.082 3.053 ( -1.307 1.899 -2.368) 3.305 3.207 ( 6.099 1.933 -3.873) 7.479 3.386 ( -0.462 -4.404 -3.688) 5.763 3.615 ( 7.932 -7.108 18.912) 21.705 4.261 ( -2.615 -5.523 -1.915) 6.404 4.326 ( 6.451 13.475 7.716) 16.815 5.299 ( 4.104 13.409 -14.630) 20.265 5.538 ( -1.529 0.366 21.955) 22.011 5.820 ( 4.446 -1.151 -0.641) 4.637 6.108 ( 0.629 -7.630 1.758) 7.855 6.506 ( 7.104 6.620 -1.950) 9.904 6.568 ( -2.029 1.321 11.543) 11.794 6.968 ( -1.513 18.535 1.430) 18.652 7.438 ( -2.112 -1.772 -13.871) 14.143 7.641 ( 1.344 -1.467 10.571) 10.756 8.248 ( -3.768 -4.138 1.243) 5.733 8.385 ( -14.151 6.628 0.507) 15.635 8.632 ( 1.848 1.590 -4.169) 4.829 8.660 ( -2.816 -2.875 -7.963) 8.922 8.829 ( -3.020 -3.860 -3.050) 5.773 9.230 ( -7.408 8.071 -5.416) 12.221 9.641 ( 1.018 2.091 -3.745) 4.408 9.857 ( -2.664 -8.271 4.410) 9.744 10.099 ( -7.783 -1.143 -5.054) 9.350 10.372 ( 5.253 -6.381 -1.193) 8.351 10.642 ( -3.380 -0.496 2.150) 4.036 10.733 ( 6.991 8.199 0.404) 10.783 11.039 ( 9.132 -7.166 11.213) 16.139 11.327 ( 1.345 3.368 1.403) 3.889 11.528 ( 5.350 1.005 -3.302) 6.367 11.693 ( -3.186 5.183 -12.651) 14.038 11.988 ( 2.081 5.835 11.168) 12.771 12.347 ( 2.293 -6.391 -3.641) 7.705 12.784 ( -5.560 -2.299 -7.645) 9.729 12.878 ( 0.569 -3.279 0.216) 3.335 13.072 ( -2.666 -4.453 -14.244) 15.160 13.374 ( 4.572 8.259 1.134) 9.508 13.488 ( -5.793 -4.957 -9.306) 12.031 13.755 ( -0.317 2.204 -6.451) 6.824 13.987 ( 1.046 2.127 3.778) 4.460 14.376 ( -5.479 0.124 -5.723) 7.924 14.521 ( -1.466 4.145 -1.000) 4.509 14.610 ( 4.380 2.729 -0.583) 5.193 14.738 ( 1.614 -2.572 -3.449) 4.595 14.863 ( 2.001 2.257 -4.931) 5.780 15.936 ( 2.786 -2.782 5.488) 6.755 16.003 ( -1.958 -2.827 1.763) 3.864 16.432 ( 3.269 2.833 17.338) 17.869 16.997 ( -1.538 -4.523 4.244) 6.390 18.889 ( 1.404 3.634 17.439) 17.869 19.626 ( -5.263 -1.741 -0.496) 5.566 19.647 ( -3.903 -1.760 -6.009) 7.378 19.904 ( -1.183 -13.321 -5.623) 14.508 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -7.170 13.769 -3.422) 15.897 1.911 ( -5.981 8.842 -7.955) 13.313 2.256 ( 9.556 5.308 3.540) 11.490 2.531 ( -0.009 -1.814 -3.219) 3.694 2.546 ( 3.566 -5.155 9.550) 11.423 2.783 ( -1.239 0.850 -5.307) 5.515 2.872 ( 1.616 -4.647 1.387) 5.111 3.038 ( -0.717 0.378 -0.185) 0.831 3.289 ( 1.998 -0.505 -2.214) 3.025 3.432 ( 4.696 -1.011 -5.874) 7.588 3.845 ( 14.752 -8.928 12.948) 21.563 4.161 ( -5.356 -11.732 -1.989) 13.050 4.546 ( 14.097 20.052 10.705) 26.747 5.389 ( 3.742 17.367 -7.066) 19.119 5.546 ( 4.332 -2.095 13.730) 14.549 5.892 ( 1.508 -1.603 13.124) 13.307 6.150 ( 4.987 -7.012 -1.457) 8.727 6.519 ( -0.321 7.881 0.851) 7.934 6.752 ( 15.348 -1.630 -10.302) 18.557 6.934 ( -1.969 15.689 -0.011) 15.812 7.330 ( -9.565 -9.677 -0.198) 13.608 7.615 ( -3.731 2.475 -6.138) 7.598 8.096 ( -15.276 11.011 -10.257) 21.443 8.209 ( -2.109 0.900 2.387) 3.310 8.428 ( -20.239 -4.066 -11.164) 23.468 8.655 ( -7.509 0.599 -6.217) 9.767 8.725 ( -6.707 2.102 -7.556) 10.320 8.986 ( 0.858 6.208 -0.572) 6.293 9.839 ( 0.142 -7.194 4.216) 8.339 9.896 ( 4.513 -1.673 -4.037) 6.282 9.960 ( 7.208 2.346 12.382) 14.519 10.409 ( -4.461 -6.766 -0.735) 8.138 10.597 ( -1.411 2.065 -1.962) 3.179 10.793 ( -0.670 9.828 -1.110) 9.913 11.192 ( 7.711 -7.291 11.109) 15.363 11.413 ( 6.691 1.557 5.100) 8.556 11.547 ( 1.274 -1.259 -0.353) 1.825 11.777 ( 7.611 6.006 -2.311) 9.967 12.040 ( 3.067 3.444 7.707) 8.981 12.395 ( 2.338 -4.679 -3.515) 6.302 12.659 ( -7.177 -1.440 -5.373) 9.080 12.879 ( -0.973 -4.104 -1.597) 4.510 13.013 ( -2.469 -7.425 -15.406) 17.279 13.323 ( -9.341 -6.132 -9.823) 14.878 13.493 ( 6.099 7.324 -0.683) 9.556 13.752 ( 0.097 2.783 -6.235) 6.828 14.015 ( 1.713 1.686 2.055) 3.162 14.271 ( -5.210 0.190 -4.352) 6.792 14.526 ( 2.067 3.835 0.516) 4.387 14.683 ( 2.933 1.549 -1.212) 3.531 14.762 ( 1.021 -1.031 -2.652) 3.023 14.897 ( 1.077 2.423 -4.099) 4.882 15.915 ( -4.144 -0.566 3.258) 5.302 16.008 ( 1.468 -0.918 0.509) 1.805 16.512 ( 4.753 -0.762 16.021) 16.728 16.985 ( 0.404 -6.142 6.334) 8.832 18.930 ( 2.822 3.328 12.957) 13.672 19.497 ( -7.199 -1.296 -3.397) 8.065 19.540 ( -6.826 -1.494 -6.622) 9.627 19.844 ( -5.298 -11.163 -9.793) 15.767 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -9.055 17.606 -6.927) 20.975 1.729 ( -11.613 14.744 -9.849) 21.195 2.420 ( 6.713 2.561 -3.537) 8.008 2.533 ( 0.927 1.146 -3.924) 4.192 2.657 ( 5.369 -5.682 9.312) 12.158 2.777 ( 1.915 0.313 1.601) 2.516 2.895 ( 0.064 -5.351 3.433) 6.358 3.013 ( -1.683 0.692 2.253) 2.897 3.320 ( 1.666 -1.282 -3.069) 3.719 3.487 ( -0.382 0.316 -7.300) 7.316 4.105 ( 3.309 -14.695 7.802) 16.963 4.129 ( 9.498 -13.208 8.194) 18.215 4.839 ( 15.141 20.183 9.122) 26.830 5.411 ( -1.635 20.568 0.944) 20.654 5.746 ( 15.578 -2.998 3.814) 16.316 5.926 ( 4.504 -2.061 10.108) 11.256 6.278 ( 6.622 -3.490 -0.731) 7.521 6.547 ( 2.611 3.274 -4.840) 6.400 6.889 ( -2.596 11.857 -1.621) 12.245 7.042 ( 0.852 -6.460 -14.344) 15.754 7.133 ( 0.914 -5.563 -0.851) 5.701 7.452 ( -12.679 1.769 -17.794) 21.921 7.859 ( -28.173 -2.512 -11.866) 30.673 7.872 ( -5.972 15.880 -7.391) 18.506 8.135 ( -8.469 1.814 -6.560) 10.865 8.410 ( -13.584 10.915 -6.573) 18.625 8.791 ( 9.239 -1.717 4.837) 10.569 9.113 ( 7.569 3.247 0.590) 8.257 9.712 ( -6.917 -4.096 6.722) 10.479 9.991 ( 4.199 -3.756 -2.882) 6.328 10.200 ( -10.257 -1.393 0.731) 10.377 10.251 ( 12.415 3.411 7.622) 14.962 10.563 ( -2.299 1.153 -3.806) 4.594 10.763 ( -2.656 8.549 -0.543) 8.969 11.362 ( 8.966 -7.856 8.615) 14.708 11.531 ( 3.922 -6.646 5.942) 9.739 11.647 ( 8.874 4.048 6.224) 11.570 11.900 ( 4.483 7.476 4.552) 9.834 12.102 ( 3.199 -1.235 4.028) 5.290 12.438 ( 1.969 -3.447 -2.768) 4.840 12.506 ( -8.081 -0.971 -3.504) 8.861 12.817 ( -5.917 -3.645 -2.400) 7.352 12.992 ( 0.299 -10.087 -12.309) 15.916 13.158 ( -6.470 -8.052 -9.587) 14.093 13.605 ( 5.076 7.586 -3.849) 9.907 13.756 ( 0.061 3.984 -6.415) 7.552 14.050 ( 1.764 0.812 0.590) 2.030 14.177 ( -4.281 0.198 -3.399) 5.470 14.592 ( 4.369 2.495 0.828) 5.099 14.727 ( 1.784 0.045 -0.811) 1.960 14.779 ( 0.537 0.749 -1.176) 1.494 14.891 ( -2.018 1.660 -1.729) 3.133 15.852 ( -1.344 2.791 -0.236) 3.107 16.004 ( -1.904 1.780 -2.511) 3.619 16.622 ( 6.678 -4.694 16.387) 18.307 16.986 ( -1.242 -8.169 9.733) 12.768 19.000 ( 4.359 2.531 6.666) 8.357 19.382 ( -4.102 -1.189 -8.046) 9.109 19.393 ( -7.468 -0.899 -6.577) 9.992 19.700 ( -9.075 -8.088 -13.009) 17.804 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -2.121 20.840 -8.800) 22.721 1.521 ( -8.037 19.436 -9.772) 23.191 2.511 ( 3.026 0.768 -7.912) 8.505 2.547 ( -0.427 0.792 -8.302) 8.351 2.737 ( 4.315 -1.326 8.431) 9.563 2.819 ( -2.246 -3.299 5.881) 7.108 2.902 ( 3.556 -1.206 6.142) 7.198 2.974 ( -2.703 -0.471 4.525) 5.292 3.362 ( 2.859 -0.996 -4.591) 5.499 3.432 ( -4.005 -0.138 -6.592) 7.715 4.187 ( 5.180 -17.039 11.043) 20.955 4.246 ( 0.635 -17.177 12.271) 21.120 5.111 ( 12.336 20.742 7.234) 25.194 5.314 ( -8.127 21.905 4.536) 23.800 6.103 ( 16.201 -4.547 2.790) 17.057 6.128 ( 16.171 -8.050 -2.868) 18.290 6.373 ( 2.415 -0.482 -0.511) 2.516 6.537 ( -6.513 2.563 -3.367) 7.767 6.776 ( -10.191 4.929 -12.211) 16.651 6.818 ( -12.009 5.737 -10.577) 17.000 7.110 ( 2.007 -1.645 -13.932) 14.172 7.355 ( -20.297 -5.221 -7.449) 22.242 7.565 ( 17.764 -2.943 -10.561) 20.875 7.848 ( -6.195 1.927 -11.187) 12.932 7.984 ( -0.792 15.481 -4.817) 16.232 8.141 ( -12.742 18.130 -7.203) 23.301 9.012 ( 11.873 -1.707 7.642) 14.223 9.181 ( -2.982 -0.423 4.325) 5.270 9.653 ( 2.847 0.358 5.938) 6.595 9.825 ( -13.017 2.330 2.296) 13.422 10.255 ( 9.182 -5.054 -5.095) 11.653 10.395 ( -2.193 -4.305 -5.819) 7.564 10.553 ( 4.942 7.865 3.766) 10.023 10.680 ( -5.854 8.599 1.723) 10.545 11.506 ( 5.251 -8.080 6.864) 11.831 11.562 ( -0.591 -8.390 6.409) 10.575 11.837 ( 8.751 4.749 9.126) 13.506 11.937 ( -1.205 6.940 8.124) 10.753 12.179 ( 5.328 -2.506 1.650) 6.115 12.322 ( -8.862 -2.004 -0.408) 9.095 12.521 ( 5.565 -2.869 -2.768) 6.846 12.664 ( -8.534 -3.410 -2.441) 9.509 13.019 ( 2.205 -10.554 -9.564) 14.413 13.071 ( -3.171 -9.524 -9.288) 13.676 13.690 ( 3.626 7.273 -6.487) 10.398 13.743 ( -1.644 5.853 -7.181) 9.408 14.080 ( 1.298 -0.003 -0.400) 1.358 14.111 ( -2.312 -0.128 -1.712) 2.879 14.690 ( 5.487 1.151 0.924) 5.682 14.760 ( 1.304 0.547 -0.016) 1.414 14.774 ( -1.075 0.333 0.013) 1.126 14.820 ( -4.554 1.470 0.307) 4.796 15.873 ( 3.026 4.567 -3.971) 6.766 15.945 ( -3.797 3.980 -4.605) 7.174 16.769 ( 8.068 -7.595 16.277) 19.690 16.914 ( -6.089 -8.813 13.930) 17.572 19.102 ( 6.087 1.295 0.298) 6.230 19.236 ( -7.584 0.011 -4.346) 8.741 19.384 ( 3.774 -2.267 -12.627) 13.373 19.516 ( -8.923 -4.856 -14.263) 17.511 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 3.646 8.972) 9.684 2.000 ( 0.000 5.129 11.018) 12.154 2.230 ( 0.000 5.719 1.862) 6.015 2.363 ( 0.000 -3.780 2.023) 4.287 2.634 ( 0.000 5.832 2.480) 6.337 2.764 ( 0.000 1.257 -9.248) 9.333 2.879 ( 0.000 -0.392 -0.633) 0.744 3.101 ( 0.000 0.478 -13.261) 13.269 3.149 ( 0.000 -6.745 5.936) 8.985 3.234 ( 0.000 -7.193 -10.202) 12.483 3.480 ( 0.000 5.417 -1.078) 5.523 4.028 ( 0.000 -15.080 -8.339) 17.232 4.707 ( 0.000 22.794 6.635) 23.740 5.332 ( 0.000 -5.919 -3.610) 6.933 5.750 ( 0.000 16.251 1.280) 16.302 5.807 ( 0.000 3.584 9.683) 10.325 5.966 ( 0.000 -5.242 -1.964) 5.598 6.373 ( 0.000 -8.034 15.124) 17.125 6.833 ( 0.000 16.056 17.183) 23.518 7.388 ( 0.000 4.076 11.807) 12.490 7.533 ( 0.000 5.051 -14.077) 14.955 7.620 ( 0.000 15.943 8.798) 18.209 8.044 ( 0.000 -17.143 4.978) 17.851 8.489 ( 0.000 -11.011 -6.705) 12.892 8.582 ( 0.000 3.852 0.097) 3.853 8.681 ( 0.000 1.415 -6.947) 7.090 9.056 ( 0.000 6.902 3.666) 7.815 9.176 ( 0.000 -0.663 -11.157) 11.176 9.619 ( 0.000 -4.118 -2.858) 5.013 9.824 ( 0.000 -4.938 -6.242) 7.960 10.217 ( 0.000 2.266 -3.557) 4.217 10.369 ( 0.000 -1.992 -4.732) 5.135 10.528 ( 0.000 1.483 7.959) 8.096 10.695 ( 0.000 -5.922 6.862) 9.064 10.866 ( 0.000 4.311 2.333) 4.902 11.234 ( 0.000 -9.277 -3.115) 9.786 11.623 ( 0.000 10.720 -2.577) 11.026 11.914 ( 0.000 9.850 -15.036) 17.975 12.089 ( 0.000 4.245 6.853) 8.062 12.124 ( 0.000 -11.203 -2.610) 11.503 12.800 ( 0.000 -1.949 -4.255) 4.681 12.812 ( 0.000 -2.165 0.918) 2.351 13.076 ( 0.000 1.742 -12.964) 13.081 13.401 ( 0.000 -9.447 -10.368) 14.027 13.512 ( 0.000 8.555 2.444) 8.897 13.753 ( 0.000 -2.212 -1.264) 2.548 14.099 ( 0.000 8.167 0.671) 8.194 14.408 ( 0.000 -4.481 -7.498) 8.735 14.622 ( 0.000 2.782 -1.746) 3.285 14.661 ( 0.000 6.592 -1.069) 6.678 14.670 ( 0.000 -0.774 -3.300) 3.389 14.852 ( 0.000 -0.866 -4.284) 4.371 15.841 ( 0.000 -2.340 4.634) 5.192 15.911 ( 0.000 -5.440 1.824) 5.737 16.535 ( 0.000 8.010 16.284) 18.148 16.894 ( 0.000 -7.365 7.548) 10.546 18.998 ( 0.000 8.090 14.780) 16.849 19.555 ( 0.000 -16.970 4.327) 17.513 19.637 ( 0.000 -1.807 -1.811) 2.558 19.645 ( 0.000 -2.372 -5.743) 6.213 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 1.701 3.560 8.792) 9.637 2.052 ( 4.010 3.943 8.054) 9.824 2.271 ( 4.380 7.229 0.079) 8.453 2.379 ( 1.377 -3.009 2.079) 3.907 2.628 ( -1.427 6.548 0.424) 6.715 2.747 ( -0.678 -0.841 -1.779) 2.081 2.852 ( -2.613 -0.835 -3.162) 4.186 3.047 ( -3.269 -3.460 -6.385) 7.965 3.243 ( 2.745 -1.635 -10.001) 10.500 3.252 ( 6.471 -6.319 0.033) 9.044 3.535 ( 5.443 2.851 -1.101) 6.243 3.993 ( -3.489 -13.820 -7.393) 16.057 4.789 ( 8.311 22.181 6.901) 24.672 5.369 ( 3.620 -5.521 -0.566) 6.626 5.756 ( -0.933 15.453 20.088) 25.361 5.835 ( 4.664 4.353 -9.277) 11.259 5.977 ( 1.125 -4.853 1.992) 5.365 6.416 ( 4.690 -8.948 5.743) 11.621 6.824 ( -0.630 15.815 15.450) 22.118 7.339 ( -7.955 -6.589 8.623) 13.456 7.400 ( -5.543 17.978 -5.532) 19.609 7.729 ( 4.687 11.170 -0.967) 12.152 8.034 ( 0.207 -14.818 3.418) 15.208 8.402 ( -8.344 -6.956 -8.245) 13.637 8.594 ( 0.307 -0.167 -1.289) 1.336 8.669 ( -2.836 1.265 -2.701) 4.115 8.927 ( -3.078 9.378 -7.094) 12.156 9.297 ( -1.380 -3.549 -7.086) 8.045 9.693 ( 1.664 3.045 -6.119) 7.035 9.753 ( 0.099 1.482 3.413) 3.722 10.030 ( -13.199 -5.657 -1.996) 14.499 10.206 ( -0.927 -8.936 -0.116) 8.984 10.667 ( 2.755 3.044 4.398) 6.016 10.877 ( 9.534 -6.425 10.308) 15.441 10.915 ( 7.233 7.674 0.022) 10.545 11.262 ( 2.726 -7.681 -0.187) 8.152 11.640 ( 1.128 9.052 -2.749) 9.527 11.887 ( -1.071 11.204 -11.821) 16.323 12.063 ( -1.002 -3.155 3.294) 4.670 12.203 ( 5.604 -4.102 -0.473) 6.961 12.740 ( -4.623 -1.301 -3.904) 6.189 12.805 ( -1.251 -3.494 -1.251) 3.917 13.015 ( -5.965 0.324 -12.654) 13.993 13.326 ( -7.163 -9.799 -9.375) 15.337 13.553 ( 3.978 8.048 1.206) 9.058 13.764 ( 1.085 -1.376 -2.814) 3.315 14.095 ( -0.418 7.110 0.519) 7.141 14.351 ( -4.605 -3.014 -5.641) 7.881 14.606 ( -1.302 3.105 -2.612) 4.261 14.656 ( 1.420 0.273 -0.830) 1.668 14.742 ( 4.114 4.106 -3.097) 6.586 14.889 ( 2.931 -0.133 -4.824) 5.646 15.871 ( 2.542 -2.664 4.684) 5.958 15.921 ( 1.166 -4.350 2.080) 4.961 16.532 ( -0.300 6.540 15.423) 16.755 16.866 ( -2.450 -7.524 7.707) 11.045 19.010 ( 1.205 8.026 13.229) 15.521 19.553 ( -1.416 -13.826 1.862) 14.023 19.595 ( -3.413 -2.787 -3.498) 5.626 19.610 ( -3.352 -3.760 -5.056) 7.137 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -1.572 6.722 5.743) 8.980 2.127 ( 2.319 7.842 3.395) 8.854 2.385 ( 6.021 5.181 -3.746) 8.783 2.406 ( 2.113 -2.003 5.775) 6.468 2.586 ( -1.261 4.052 -0.451) 4.268 2.756 ( 0.996 -2.532 4.964) 5.661 2.788 ( -3.323 -2.616 -4.754) 6.363 2.995 ( -1.920 -5.009 -3.911) 6.639 3.288 ( 2.599 0.578 -7.009) 7.498 3.411 ( 7.557 -1.832 -2.029) 8.036 3.679 ( 8.747 -4.453 -0.101) 9.816 3.902 ( -5.420 -11.522 -4.565) 13.527 5.014 ( 13.782 20.847 6.819) 25.905 5.465 ( 6.465 -4.304 6.678) 10.243 5.752 ( 1.419 11.079 11.692) 16.170 5.919 ( 2.148 5.273 8.125) 9.922 6.063 ( 9.133 0.612 -7.142) 11.610 6.552 ( 7.925 -6.776 -6.625) 12.354 6.822 ( 1.194 8.539 7.549) 11.460 7.129 ( -11.328 -6.315 2.396) 13.188 7.299 ( -5.980 15.371 -3.463) 16.853 7.726 ( -6.076 6.754 -11.840) 14.924 8.047 ( -1.347 -9.794 -6.246) 11.694 8.198 ( -12.398 -5.082 -11.007) 17.341 8.498 ( -10.913 6.910 4.526) 13.686 8.628 ( 1.435 -1.038 4.120) 4.485 8.884 ( -7.154 12.013 -11.177) 17.900 9.139 ( -2.893 6.547 -1.714) 7.360 9.667 ( 2.532 -7.687 2.204) 8.388 9.773 ( -8.501 -8.888 -2.469) 12.544 10.033 ( 15.868 3.719 2.738) 16.527 10.270 ( 1.946 -6.432 -1.841) 6.968 10.679 ( -0.527 5.110 4.617) 6.907 10.925 ( 0.147 -3.127 5.319) 6.172 11.095 ( 6.740 3.792 8.413) 11.427 11.328 ( 3.114 -5.586 4.224) 7.664 11.661 ( 2.495 8.634 -0.430) 8.997 11.931 ( 5.193 8.304 -7.374) 12.260 12.051 ( -0.126 -4.196 4.396) 6.078 12.310 ( 4.791 -3.109 -1.486) 5.901 12.636 ( -5.968 -0.137 -4.980) 7.774 12.776 ( -1.802 -5.392 -4.232) 7.088 12.874 ( -7.422 -3.137 -11.191) 13.790 13.145 ( -10.625 -10.134 -8.473) 16.953 13.653 ( 5.856 6.973 -0.870) 9.148 13.795 ( 2.030 0.656 -4.695) 5.157 14.085 ( -0.499 4.646 -0.089) 4.673 14.258 ( -4.723 -1.820 -4.419) 6.719 14.604 ( 1.096 3.011 -1.063) 3.376 14.679 ( 1.176 -1.273 -1.695) 2.424 14.810 ( 2.483 4.637 -2.785) 5.952 14.932 ( 0.907 0.422 -4.270) 4.386 15.905 ( 0.957 -0.065 4.631) 4.729 15.976 ( 4.314 -2.186 2.246) 5.333 16.523 ( -0.702 2.571 13.782) 14.037 16.816 ( -2.427 -9.101 7.710) 12.172 19.042 ( 1.919 7.374 9.015) 11.804 19.461 ( -6.357 -3.016 -3.928) 8.058 19.502 ( -6.297 -1.778 -6.433) 9.176 19.563 ( -2.381 -12.817 -4.245) 13.710 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -2.536 13.716 4.409) 14.629 2.082 ( -5.995 17.328 -0.854) 18.356 2.469 ( 4.973 -8.538 9.336) 13.594 2.510 ( 5.262 5.069 -6.589) 9.839 2.602 ( 2.213 2.478 -1.725) 3.743 2.724 ( -2.243 -6.870 1.747) 7.435 2.795 ( 2.350 -1.922 1.928) 3.597 2.965 ( -1.435 -5.455 -1.182) 5.763 3.336 ( 2.345 3.293 -3.438) 5.307 3.508 ( 1.438 1.290 -3.567) 4.056 3.813 ( -1.807 -12.913 0.320) 13.043 3.837 ( 5.564 -11.498 3.310) 13.195 5.285 ( 13.450 18.741 6.226) 23.893 5.652 ( 12.628 -3.962 7.941) 15.435 5.817 ( 4.949 11.286 0.904) 12.356 5.952 ( 1.616 6.433 10.906) 12.764 6.280 ( 11.652 5.328 -4.023) 13.429 6.626 ( -0.210 2.710 -5.862) 6.462 6.898 ( -2.970 -6.354 -9.739) 12.002 6.962 ( 1.857 -9.473 -1.820) 9.824 7.183 ( -4.852 14.495 -8.397) 17.440 7.496 ( -14.195 2.066 -23.106) 27.196 7.794 ( -26.654 -3.142 -13.084) 29.858 7.955 ( -8.751 -7.461 -9.871) 15.156 8.370 ( -0.621 17.358 9.732) 19.910 8.711 ( -4.098 14.827 2.456) 15.577 8.742 ( 5.590 -1.419 4.815) 7.513 9.183 ( 2.063 1.227 -0.198) 2.408 9.617 ( -1.058 -3.250 3.331) 4.772 9.855 ( 9.675 -9.001 -2.861) 13.521 10.192 ( -9.149 0.947 -0.552) 9.214 10.276 ( 6.870 -1.083 -3.107) 7.618 10.671 ( 1.331 8.065 7.486) 11.084 10.935 ( 0.298 4.061 2.534) 4.796 11.200 ( 4.805 -4.480 10.762) 12.609 11.361 ( 0.472 -7.396 6.478) 9.843 11.773 ( 8.361 6.992 3.618) 11.484 12.042 ( 4.719 -0.412 -2.257) 5.247 12.072 ( 3.038 3.680 3.851) 6.132 12.363 ( -0.240 -3.558 -1.637) 3.924 12.515 ( -5.676 2.706 -5.222) 8.174 12.708 ( -5.854 -6.251 -6.238) 10.595 12.764 ( -3.060 -8.758 -8.991) 12.919 12.951 ( -8.121 -10.916 -8.027) 15.796 13.766 ( 5.427 6.732 -3.106) 9.188 13.840 ( 2.392 3.195 -5.508) 6.802 14.076 ( -0.466 1.653 -1.022) 1.998 14.169 ( -4.360 -1.224 -3.884) 5.966 14.645 ( 3.035 2.258 -0.262) 3.791 14.710 ( 2.134 -1.121 -1.228) 2.705 14.831 ( -0.447 3.295 -1.801) 3.781 14.915 ( -2.603 0.225 -2.333) 3.502 15.939 ( 3.052 5.270 3.309) 6.931 16.058 ( 3.377 2.615 1.338) 4.476 16.512 ( 0.155 -4.095 13.045) 13.674 16.762 ( -3.602 -11.984 8.454) 15.102 19.085 ( 2.604 5.643 3.386) 7.077 19.351 ( -4.205 -1.848 -7.634) 8.910 19.371 ( -6.716 -0.949 -6.902) 9.677 19.490 ( -4.949 -10.409 -8.101) 14.087 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.520 19.654 3.042) 19.895 1.964 ( -4.970 20.947 1.232) 21.564 2.550 ( 2.828 -2.624 -0.817) 3.944 2.573 ( 0.776 1.435 -6.740) 6.935 2.651 ( 2.543 -2.043 2.450) 4.080 2.691 ( -1.540 -8.174 5.645) 10.053 2.857 ( 3.816 -3.046 2.198) 5.355 2.926 ( -2.818 -4.709 1.121) 5.602 3.389 ( 3.376 4.229 -2.216) 5.848 3.467 ( -4.190 3.990 -3.368) 6.694 3.834 ( 3.177 -15.307 5.525) 16.581 3.885 ( -0.871 -15.780 6.084) 16.935 5.543 ( 12.898 17.478 5.398) 22.383 5.758 ( -7.101 16.722 5.651) 19.026 5.966 ( 11.986 -5.947 -0.336) 13.385 6.048 ( 5.890 -0.670 6.136) 8.532 6.466 ( 6.434 9.095 -3.909) 11.807 6.585 ( -5.651 2.782 -9.316) 11.246 6.799 ( 0.840 -2.091 -13.194) 13.385 6.925 ( -8.775 -0.487 -19.396) 21.294 7.125 ( -0.573 6.078 -12.492) 13.904 7.307 ( -19.207 1.361 -8.811) 21.175 7.457 ( 11.396 -7.061 -11.213) 17.477 7.729 ( -13.892 -10.102 -9.587) 19.671 8.431 ( 5.780 21.313 5.074) 22.658 8.567 ( -7.633 19.833 1.001) 21.274 8.950 ( 11.281 -4.561 9.943) 15.714 9.136 ( -6.809 -5.003 5.839) 10.271 9.702 ( 8.912 5.164 1.129) 10.362 9.912 ( -10.282 5.759 -1.088) 11.835 10.109 ( 8.013 -8.311 -3.202) 11.981 10.271 ( -6.072 -7.227 -6.011) 11.191 10.768 ( 7.223 11.460 7.698) 15.581 10.894 ( -4.728 10.487 4.632) 12.401 11.291 ( 4.164 -11.329 9.109) 15.122 11.350 ( -1.746 -10.756 7.939) 13.482 11.954 ( 9.195 6.093 5.033) 12.124 12.076 ( -1.837 3.474 5.741) 6.957 12.166 ( 5.412 3.437 -1.934) 6.696 12.283 ( -6.467 -2.537 -1.207) 7.051 12.468 ( 1.431 0.027 -5.280) 5.470 12.563 ( -7.493 -5.102 -5.022) 10.363 12.761 ( 2.328 -12.442 -8.506) 15.250 12.833 ( -4.666 -12.086 -7.970) 15.210 13.854 ( 3.168 7.371 -5.287) 9.609 13.876 ( 0.850 6.048 -5.990) 8.555 14.069 ( 0.014 -1.196 -1.709) 2.086 14.095 ( -2.859 -1.692 -2.781) 4.332 14.719 ( 4.314 1.479 0.031) 4.561 14.764 ( 3.352 -0.262 -0.574) 3.411 14.796 ( -2.993 1.590 -0.665) 3.454 14.842 ( -4.367 0.298 -0.677) 4.430 16.018 ( 4.423 9.045 1.154) 10.135 16.082 ( -1.335 8.915 0.285) 9.019 16.554 ( 4.447 -11.824 12.633) 17.866 16.666 ( -6.023 -13.757 10.629) 18.399 19.148 ( 3.975 3.205 -2.053) 5.503 19.243 ( -5.752 0.822 -5.760) 8.181 19.323 ( 1.133 -3.273 -10.211) 10.783 19.387 ( -4.892 -6.572 -10.458) 13.285 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 -1.966 11.074) 11.248 2.019 ( 0.000 1.966 11.074) 11.248 2.312 ( 0.000 -2.122 2.728) 3.456 2.312 ( 0.000 2.122 2.728) 3.456 2.779 ( 0.000 -3.002 -3.171) 4.367 2.779 ( 0.000 3.002 -3.171) 4.367 2.922 ( 0.000 -7.944 8.474) 11.616 2.922 ( 0.000 7.944 8.474) 11.616 3.130 ( 0.000 -3.165 -19.592) 19.846 3.130 ( 0.000 3.165 -19.592) 19.846 3.713 ( 0.000 -14.101 -8.141) 16.282 3.713 ( 0.000 14.101 -8.141) 16.282 5.111 ( 0.000 -14.747 2.573) 14.970 5.111 ( 0.000 14.747 2.573) 14.970 5.871 ( 0.000 -3.888 -3.492) 5.226 5.871 ( 0.000 3.888 -3.492) 5.226 6.119 ( 0.000 -15.442 14.261) 21.020 6.119 ( 0.000 15.442 14.261) 21.020 7.197 ( 0.000 -15.681 22.005) 27.020 7.197 ( 0.000 15.681 22.005) 27.020 7.707 ( 0.000 -12.380 -3.761) 12.939 7.707 ( 0.000 12.380 -3.761) 12.939 8.124 ( 0.000 -22.868 -1.915) 22.948 8.124 ( 0.000 22.868 -1.915) 22.948 8.671 ( 0.000 -3.114 -4.006) 5.074 8.671 ( 0.000 3.114 -4.006) 5.074 9.135 ( 0.000 -2.454 -7.323) 7.723 9.135 ( 0.000 2.454 -7.323) 7.723 9.678 ( 0.000 -7.269 -2.372) 7.646 9.678 ( 0.000 7.269 -2.372) 7.646 10.287 ( 0.000 -4.376 -2.007) 4.814 10.287 ( 0.000 4.376 -2.007) 4.814 10.592 ( 0.000 -4.039 6.265) 7.454 10.592 ( 0.000 4.039 6.265) 7.454 11.020 ( 0.000 -9.648 -1.849) 9.823 11.020 ( 0.000 9.648 -1.849) 9.823 11.869 ( 0.000 -12.181 -2.618) 12.459 11.869 ( 0.000 12.181 -2.618) 12.459 12.088 ( 0.000 -4.808 -5.174) 7.063 12.088 ( 0.000 4.808 -5.174) 7.063 12.783 ( 0.000 -0.427 -0.946) 1.037 12.783 ( 0.000 0.427 -0.946) 1.037 13.192 ( 0.000 -8.851 -10.681) 13.872 13.192 ( 0.000 8.851 -10.681) 13.872 13.668 ( 0.000 -5.851 1.302) 5.994 13.668 ( 0.000 5.851 1.302) 5.994 14.275 ( 0.000 -7.763 -3.213) 8.402 14.275 ( 0.000 7.763 -3.213) 8.402 14.659 ( 0.000 -0.835 -3.640) 3.734 14.659 ( 0.000 0.835 -3.640) 3.734 14.791 ( 0.000 -4.919 -2.513) 5.524 14.791 ( 0.000 4.919 -2.513) 5.524 15.829 ( 0.000 -1.664 2.780) 3.240 15.829 ( 0.000 1.664 2.780) 3.240 16.719 ( 0.000 -8.852 12.316) 15.168 16.719 ( 0.000 8.852 12.316) 15.168 19.225 ( 0.000 -13.384 9.941) 16.672 19.225 ( 0.000 13.384 9.941) 16.672 19.618 ( 0.000 -0.177 -4.242) 4.246 19.618 ( 0.000 0.177 -4.242) 4.246 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 2.381 -2.889 11.437) 12.034 2.043 ( 2.381 2.889 11.437) 12.034 2.357 ( 4.156 -0.927 1.824) 4.633 2.357 ( 4.156 0.927 1.824) 4.633 2.759 ( -2.515 -2.862 -6.373) 7.425 2.759 ( -2.515 2.862 -6.373) 7.425 2.886 ( -2.856 -8.555 5.891) 10.773 2.886 ( -2.856 8.555 5.891) 10.773 3.193 ( 6.047 -1.425 -13.129) 14.525 3.193 ( 6.047 1.425 -13.129) 14.525 3.714 ( 0.023 -11.910 -7.449) 14.048 3.714 ( 0.023 11.910 -7.449) 14.048 5.171 ( 6.050 -13.400 3.866) 15.202 5.171 ( 6.050 13.400 3.866) 15.202 5.880 ( 0.462 -3.851 5.876) 7.041 5.880 ( 0.462 3.851 5.876) 7.041 6.151 ( 4.256 -15.712 2.271) 16.436 6.151 ( 4.256 15.712 2.271) 16.436 7.145 ( -5.520 -12.579 17.998) 22.641 7.145 ( -5.520 12.579 17.998) 22.641 7.697 ( -1.033 -13.847 -4.329) 14.545 7.697 ( -1.033 13.847 -4.329) 14.545 8.109 ( -1.829 -18.621 -3.474) 19.030 8.109 ( -1.829 18.621 -3.474) 19.030 8.650 ( -2.197 -3.030 -1.381) 3.989 8.650 ( -2.197 3.030 -1.381) 3.989 9.132 ( 0.801 -9.648 -9.307) 13.429 9.132 ( 0.801 9.648 -9.307) 13.429 9.782 ( 2.498 -4.059 0.016) 4.766 9.782 ( 2.498 4.059 0.016) 4.766 10.008 ( -11.111 -7.595 -2.062) 13.616 10.008 ( -11.111 7.595 -2.062) 13.616 10.755 ( 5.951 -4.885 7.688) 10.880 10.755 ( 5.951 4.885 7.688) 10.880 11.086 ( 6.942 -8.236 0.018) 10.771 11.086 ( 6.942 8.236 0.018) 10.771 11.862 ( -0.539 -11.110 -2.215) 11.342 11.862 ( -0.539 11.110 -2.215) 11.342 12.113 ( 2.216 -7.580 -5.552) 9.654 12.113 ( 2.216 7.580 -5.552) 9.654 12.745 ( -3.343 -1.751 -1.874) 4.213 12.745 ( -3.343 1.751 -1.874) 4.213 13.116 ( -7.250 -8.665 -9.529) 14.780 13.116 ( -7.250 8.665 -9.529) 14.780 13.696 ( 2.675 -5.126 -0.142) 5.784 13.696 ( 2.675 5.126 -0.142) 5.784 14.246 ( -2.556 -6.552 -3.081) 7.678 14.246 ( -2.556 6.552 -3.081) 7.678 14.646 ( -0.473 -0.961 -2.572) 2.786 14.646 ( -0.473 0.961 -2.572) 2.786 14.845 ( 3.964 -4.090 -3.602) 6.740 14.845 ( 3.964 4.090 -3.602) 6.740 15.853 ( 2.457 -1.372 3.345) 4.372 15.853 ( 2.457 1.372 3.345) 4.372 16.694 ( -2.364 -8.311 11.802) 14.627 16.694 ( -2.364 8.311 11.802) 14.627 19.235 ( 0.852 -13.233 8.089) 15.533 19.235 ( 0.852 13.233 8.089) 15.533 19.578 ( -3.933 -0.398 -4.802) 6.220 19.578 ( -3.933 0.398 -4.802) 6.220 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 3.821 -5.611 11.264) 13.152 2.106 ( 3.821 5.611 11.264) 13.152 2.448 ( 4.187 -3.353 1.391) 5.541 2.448 ( 4.187 3.353 1.391) 5.541 2.681 ( -4.405 -6.735 -5.533) 9.766 2.681 ( -4.405 6.735 -5.533) 9.766 2.840 ( -1.705 -8.357 0.193) 8.531 2.840 ( -1.705 8.357 0.193) 8.531 3.334 ( 7.419 -3.940 -5.977) 10.310 3.334 ( 7.419 3.940 -5.977) 10.310 3.708 ( -0.744 -6.213 -5.612) 8.405 3.708 ( -0.744 6.213 -5.612) 8.405 5.333 ( 9.944 -9.342 6.457) 15.095 5.333 ( 9.944 9.342 6.457) 15.095 5.895 ( 2.081 -5.266 12.019) 13.286 5.895 ( 2.081 5.266 12.019) 13.286 6.305 ( 11.089 -15.204 -9.960) 21.292 6.305 ( 11.089 15.204 -9.960) 21.292 6.990 ( -9.660 -6.767 9.456) 15.117 6.990 ( -9.660 6.767 9.456) 15.117 7.644 ( -5.460 -15.364 -11.487) 19.945 7.644 ( -5.460 15.364 -11.487) 19.945 8.030 ( -7.601 -8.846 -6.999) 13.601 8.030 ( -7.601 8.846 -6.999) 13.601 8.599 ( -1.773 -2.639 5.960) 6.755 8.599 ( -1.773 2.639 5.960) 6.755 9.145 ( -1.656 -8.558 -7.434) 11.456 9.145 ( -1.656 8.558 -7.434) 11.456 9.602 ( -6.005 -3.920 1.612) 7.350 9.602 ( -6.005 3.920 1.612) 7.350 10.135 ( 10.622 -6.024 -2.551) 12.475 10.135 ( 10.622 6.024 -2.551) 12.475 10.794 ( 0.449 -5.990 8.221) 10.181 10.794 ( 0.449 5.990 8.221) 10.181 11.221 ( 4.751 -5.205 5.878) 9.177 11.221 ( 4.751 5.205 5.878) 9.177 11.862 ( 1.110 -9.829 -0.741) 9.919 11.862 ( 1.110 9.829 -0.741) 9.919 12.164 ( 3.023 -10.530 -5.470) 12.245 12.164 ( 3.023 10.530 -5.470) 12.245 12.677 ( -3.284 -3.652 -3.918) 6.283 12.677 ( -3.284 3.652 -3.918) 6.283 12.936 ( -10.542 -8.122 -8.158) 15.609 12.936 ( -10.542 8.122 -8.158) 15.609 13.766 ( 4.398 -3.428 -2.146) 5.975 13.766 ( 4.398 3.428 -2.146) 5.975 14.188 ( -3.180 -4.539 -3.028) 6.315 14.188 ( -3.180 4.539 -3.028) 6.315 14.651 ( 0.926 -1.556 -1.711) 2.491 14.651 ( 0.926 1.556 -1.711) 2.491 14.902 ( 1.381 -3.248 -3.752) 5.151 14.902 ( 1.381 3.248 -3.752) 5.151 15.926 ( 5.037 -2.075 4.552) 7.099 15.926 ( 5.037 2.075 4.552) 7.099 16.632 ( -3.904 -7.513 10.216) 13.268 16.632 ( -3.904 7.513 10.216) 13.268 19.246 ( 0.078 -11.848 3.592) 12.381 19.246 ( 0.078 11.848 3.592) 12.381 19.478 ( -5.877 -0.321 -6.209) 8.555 19.478 ( -5.877 0.321 -6.209) 8.555 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 4.517 -10.412 9.745) 14.959 2.188 ( 4.517 10.412 9.745) 14.959 2.464 ( -3.108 -11.830 3.306) 12.670 2.464 ( -3.108 11.830 3.306) 12.670 2.656 ( 2.528 -5.662 -3.640) 7.190 2.656 ( 2.528 5.662 -3.640) 7.190 2.815 ( -1.094 -6.702 -2.615) 7.277 2.815 ( -1.094 6.702 -2.615) 7.277 3.457 ( 5.063 -7.042 -1.377) 8.782 3.457 ( 5.063 7.042 -1.377) 8.782 3.681 ( -2.169 -2.867 -2.863) 4.596 3.681 ( -2.169 2.867 -2.863) 4.596 5.545 ( 11.822 -6.813 5.958) 14.889 5.545 ( 11.822 6.813 5.958) 14.889 5.981 ( 5.702 -5.271 8.198) 11.292 5.981 ( 5.702 5.271 8.198) 11.292 6.541 ( 11.011 -14.040 -8.989) 19.979 6.541 ( 11.011 14.040 -8.989) 19.979 6.810 ( -6.798 -2.072 -1.682) 7.303 6.810 ( -6.798 2.072 -1.682) 7.303 7.467 ( -11.999 -8.118 -22.352) 26.636 7.467 ( -11.999 8.118 -22.352) 26.636 7.781 ( -16.391 -4.497 -6.459) 18.183 7.781 ( -16.391 4.497 -6.459) 18.183 8.637 ( 5.756 -7.597 11.761) 15.139 8.637 ( 5.756 7.597 11.761) 15.139 9.058 ( -5.699 -13.344 0.947) 14.540 9.058 ( -5.699 13.344 0.947) 14.540 9.659 ( 8.992 -7.403 -1.979) 11.815 9.659 ( 8.992 7.403 -1.979) 11.815 10.233 ( -1.785 -2.466 -3.503) 4.641 10.233 ( -1.785 2.466 -3.503) 4.641 10.849 ( 6.024 -8.151 8.506) 13.232 10.849 ( 6.024 8.151 8.506) 13.232 11.241 ( -2.472 -4.639 8.928) 10.361 11.241 ( -2.472 4.639 8.928) 10.361 11.929 ( 5.918 -7.258 0.993) 9.418 11.929 ( 5.918 7.258 0.993) 9.418 12.226 ( 2.817 -8.750 -3.930) 9.998 12.226 ( 2.817 8.750 -3.930) 9.998 12.605 ( -4.478 -4.397 -5.229) 8.169 12.605 ( -4.478 4.397 -5.229) 8.169 12.735 ( -9.051 -7.498 -7.571) 13.981 12.735 ( -9.051 7.498 -7.571) 13.981 13.860 ( 5.032 -1.730 -3.390) 6.309 13.860 ( 5.032 1.730 -3.390) 6.309 14.124 ( -3.508 -2.680 -3.395) 5.569 14.124 ( -3.508 2.680 -3.395) 5.569 14.684 ( 2.525 -1.454 -0.981) 3.075 14.684 ( 2.525 1.454 -0.981) 3.075 14.893 ( -2.157 -2.244 -2.532) 4.012 14.893 ( -2.157 2.244 -2.532) 4.012 16.051 ( 7.709 -3.992 5.543) 10.300 16.051 ( 7.709 3.992 5.543) 10.300 16.538 ( -5.951 -7.341 8.292) 12.572 16.538 ( -5.951 7.341 8.292) 12.572 19.239 ( -0.609 -8.435 -1.689) 8.624 19.239 ( -0.609 8.435 -1.689) 8.624 19.365 ( -5.308 -0.955 -7.558) 9.285 19.365 ( -5.308 0.955 -7.558) 9.285 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 4.901 -13.819 7.646) 16.536 2.280 ( 4.901 13.819 7.646) 16.536 2.377 ( -4.948 -14.464 5.502) 16.247 2.377 ( -4.948 14.464 5.502) 16.247 2.727 ( 3.712 -4.580 -2.590) 6.439 2.727 ( 3.712 4.580 -2.590) 6.439 2.785 ( -2.169 -5.462 -2.791) 6.506 2.785 ( -2.169 5.462 -2.791) 6.506 3.543 ( 4.118 -8.692 0.870) 9.658 3.543 ( 4.118 8.692 0.870) 9.658 3.622 ( -3.766 -7.543 0.035) 8.431 3.622 ( -3.766 7.543 0.035) 8.431 5.800 ( 13.761 -7.669 3.304) 16.097 5.800 ( 13.761 7.669 3.304) 16.097 6.013 ( -5.274 -4.709 5.833) 9.166 6.013 ( -5.274 4.709 5.833) 9.166 6.659 ( 5.152 -0.675 -9.081) 10.463 6.659 ( 5.152 0.675 -9.081) 10.463 6.779 ( -2.364 -7.633 -12.411) 14.761 6.779 ( -2.364 7.633 -12.411) 14.761 7.293 ( -0.299 -7.106 -17.973) 19.329 7.293 ( -0.299 7.106 -17.973) 19.329 7.469 ( -14.408 -12.625 -7.379) 20.529 7.469 ( -14.408 12.625 -7.379) 20.529 8.785 ( 8.300 -11.448 9.928) 17.278 8.785 ( 8.300 11.448 9.928) 17.278 8.937 ( -6.983 -13.708 6.008) 16.516 8.937 ( -6.983 13.708 6.008) 16.516 9.874 ( 12.003 -9.904 -3.189) 15.885 9.874 ( 12.003 9.904 -3.189) 15.885 10.099 ( -10.289 -8.183 -3.489) 13.601 10.099 ( -10.289 8.183 -3.489) 13.601 11.001 ( 8.334 -8.142 8.578) 14.469 11.001 ( 8.334 8.142 8.578) 14.469 11.148 ( -6.470 -6.078 9.349) 12.892 11.148 ( -6.470 6.078 9.349) 12.892 12.078 ( 8.692 -4.098 0.948) 9.657 12.078 ( 8.692 4.098 0.948) 9.657 12.224 ( -4.493 -1.235 -0.704) 4.713 12.224 ( -4.493 1.235 -0.704) 4.713 12.538 ( -0.196 -4.839 -6.766) 8.320 12.538 ( -0.196 4.839 -6.766) 8.320 12.599 ( -5.250 -7.721 -7.145) 11.757 12.599 ( -5.250 7.721 -7.145) 11.757 13.958 ( 4.895 -0.595 -3.939) 6.311 13.958 ( 4.895 0.595 -3.939) 6.311 14.048 ( -4.269 -1.143 -3.876) 5.878 14.048 ( -4.269 1.143 -3.876) 5.878 14.749 ( 3.955 -1.173 -0.588) 4.167 14.749 ( 3.955 1.173 -0.588) 4.167 14.829 ( -4.038 -1.324 -1.146) 4.401 14.829 ( -4.038 1.324 -1.146) 4.401 16.220 ( 9.269 -5.629 6.201) 12.492 16.220 ( 9.269 5.629 6.201) 12.492 16.397 ( -8.429 -6.884 6.969) 12.923 16.397 ( -8.429 6.884 6.969) 12.923 19.238 ( 0.873 -4.927 -5.903) 7.738 19.238 ( 0.873 4.927 -5.903) 7.738 19.279 ( -3.368 -2.811 -7.753) 8.908 19.279 ( -3.368 2.811 -7.753) 8.908 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 0.000 1.089) 1.089 1.811 ( 0.000 0.000 -6.852) 6.852 2.220 ( 0.000 0.000 14.970) 14.970 2.510 ( 0.000 0.000 -13.884) 13.884 2.596 ( 0.000 0.000 7.091) 7.091 2.627 ( 0.000 0.000 7.005) 7.005 2.762 ( 0.000 0.000 -5.559) 5.559 2.815 ( 0.000 0.000 -12.081) 12.081 3.275 ( 0.000 0.000 7.733) 7.733 3.406 ( 0.000 0.000 -4.746) 4.746 4.101 ( 0.000 0.000 16.143) 16.143 4.317 ( 0.000 0.000 17.491) 17.491 4.337 ( 0.000 0.000 -8.075) 8.075 4.704 ( 0.000 0.000 -19.414) 19.414 5.700 ( 0.000 0.000 0.790) 0.790 5.865 ( 0.000 0.000 -15.410) 15.410 6.086 ( 0.000 0.000 25.328) 25.328 6.418 ( 0.000 0.000 -1.532) 1.532 6.792 ( 0.000 0.000 1.456) 1.456 6.948 ( 0.000 0.000 -18.005) 18.005 7.224 ( 0.000 0.000 35.665) 35.665 7.849 ( 0.000 0.000 -12.513) 12.513 8.168 ( 0.000 0.000 3.551) 3.551 8.414 ( 0.000 0.000 -11.457) 11.457 8.606 ( 0.000 0.000 -1.158) 1.158 8.720 ( 0.000 0.000 -13.026) 13.026 8.952 ( 0.000 0.000 13.993) 13.993 9.138 ( 0.000 0.000 4.986) 4.986 9.644 ( 0.000 0.000 0.625) 0.625 9.909 ( 0.000 0.000 -16.807) 16.807 10.067 ( 0.000 0.000 0.441) 0.441 10.090 ( 0.000 0.000 -0.559) 0.559 10.740 ( 0.000 0.000 8.508) 8.508 10.888 ( 0.000 0.000 -4.928) 4.928 11.107 ( 0.000 0.000 13.299) 13.299 11.278 ( 0.000 0.000 0.439) 0.439 11.306 ( 0.000 0.000 -1.913) 1.913 11.412 ( 0.000 0.000 -16.113) 16.113 12.235 ( 0.000 0.000 17.390) 17.390 12.468 ( 0.000 0.000 9.646) 9.646 12.584 ( 0.000 0.000 -16.052) 16.052 12.734 ( 0.000 0.000 -14.522) 14.522 13.148 ( 0.000 0.000 8.707) 8.707 13.358 ( 0.000 0.000 9.642) 9.642 13.375 ( 0.000 0.000 -11.801) 11.801 13.554 ( 0.000 0.000 -8.983) 8.983 14.066 ( 0.000 0.000 6.340) 6.340 14.232 ( 0.000 0.000 -9.611) 9.611 14.527 ( 0.000 0.000 4.040) 4.040 14.625 ( 0.000 0.000 5.731) 5.731 14.640 ( 0.000 0.000 -6.187) 6.187 14.730 ( 0.000 0.000 -4.384) 4.384 16.039 ( 0.000 0.000 3.428) 3.428 16.079 ( 0.000 0.000 -0.612) 0.612 16.728 ( 0.000 0.000 16.169) 16.169 16.988 ( 0.000 0.000 -8.554) 8.554 19.231 ( 0.000 0.000 16.994) 16.994 19.527 ( 0.000 0.000 -11.515) 11.515 19.777 ( 0.000 0.000 5.374) 5.374 19.915 ( 0.000 0.000 -7.587) 7.587 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -6.762 0.000 -0.051) 6.763 1.745 ( -6.687 0.000 -7.151) 9.790 2.255 ( 2.952 0.000 11.268) 11.648 2.474 ( -1.804 0.000 -8.944) 9.124 2.668 ( 4.092 0.000 7.094) 8.190 2.686 ( 6.589 0.000 4.764) 8.131 2.797 ( 3.433 0.000 -4.977) 6.046 2.874 ( 5.373 0.000 -10.216) 11.543 3.283 ( 1.009 0.000 5.753) 5.841 3.383 ( -1.908 0.000 -3.732) 4.191 4.119 ( 2.446 0.000 13.521) 13.740 4.312 ( -1.856 0.000 -6.514) 6.773 4.389 ( 7.017 0.000 16.900) 18.299 4.761 ( 5.554 0.000 -18.616) 19.427 5.823 ( 12.080 0.000 1.464) 12.169 5.977 ( 11.002 0.000 -13.641) 17.525 6.025 ( -5.169 0.000 23.649) 24.207 6.374 ( -4.528 0.000 -6.029) 7.540 6.805 ( 1.966 0.000 5.453) 5.797 7.019 ( 5.495 0.000 -16.266) 17.170 7.076 ( -13.032 0.000 32.747) 35.245 7.726 ( -12.706 0.000 -23.527) 26.739 8.226 ( 5.344 0.000 12.074) 13.204 8.497 ( 3.122 0.000 -10.637) 11.086 8.518 ( -28.856 0.000 15.007) 32.525 8.588 ( 0.555 0.000 1.411) 1.516 8.721 ( 1.049 0.000 -12.346) 12.390 8.855 ( -29.699 0.000 -16.287) 33.872 9.853 ( 20.140 0.000 18.338) 27.238 10.020 ( -3.833 0.000 2.868) 4.787 10.068 ( -2.537 0.000 -1.329) 2.864 10.215 ( 18.035 0.000 -15.255) 23.621 10.690 ( -5.159 0.000 2.148) 5.588 10.700 ( -10.893 0.000 1.323) 10.973 11.308 ( 11.934 0.000 6.464) 13.572 11.312 ( 4.915 0.000 4.257) 6.503 11.413 ( 9.513 0.000 -5.258) 10.870 11.459 ( 4.306 0.000 -8.809) 9.805 12.225 ( -0.832 0.000 16.577) 16.598 12.468 ( 0.379 0.000 8.471) 8.479 12.558 ( -2.530 0.000 -14.989) 15.201 12.722 ( -0.755 0.000 -14.790) 14.809 13.102 ( -4.178 0.000 7.889) 8.927 13.318 ( -5.589 0.000 -11.678) 12.947 13.386 ( 2.546 0.000 8.320) 8.701 13.563 ( 0.849 0.000 -8.378) 8.421 14.064 ( -0.240 0.000 5.659) 5.664 14.209 ( -2.169 0.000 -8.262) 8.542 14.533 ( 1.036 0.000 5.588) 5.684 14.643 ( 1.695 0.000 4.568) 4.872 14.671 ( 2.757 0.000 -7.141) 7.655 14.732 ( 0.272 0.000 -3.931) 3.941 16.044 ( -0.074 0.000 2.102) 2.103 16.061 ( -2.401 0.000 0.395) 2.433 16.753 ( 2.817 0.000 15.155) 15.415 16.995 ( 1.202 0.000 -7.644) 7.738 19.214 ( -1.683 0.000 15.695) 15.785 19.490 ( -3.661 0.000 -10.947) 11.542 19.712 ( -6.510 0.000 5.579) 8.573 19.865 ( -5.105 0.000 -8.838) 10.206 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -13.899 0.000 -1.573) 13.988 1.552 ( -13.119 0.000 -8.808) 15.801 2.311 ( 2.545 0.000 4.891) 5.514 2.447 ( -1.249 0.000 -7.216) 7.323 2.776 ( 6.645 0.000 6.944) 9.612 2.805 ( 5.164 0.000 8.314) 9.788 2.886 ( 5.233 0.000 -3.432) 6.258 2.980 ( 4.218 0.000 -6.416) 7.679 3.307 ( 0.523 0.000 1.132) 1.247 3.349 ( -1.254 0.000 -3.122) 3.364 4.234 ( 10.033 0.000 7.216) 12.359 4.312 ( 3.384 0.000 -1.172) 3.581 4.569 ( 10.638 0.000 14.961) 18.357 4.896 ( 7.317 0.000 -16.005) 17.599 5.938 ( -2.331 0.000 19.693) 19.831 6.136 ( 18.643 0.000 4.939) 19.286 6.254 ( 15.484 0.000 -6.410) 16.758 6.271 ( -4.854 0.000 -9.945) 11.066 6.804 ( -12.234 0.000 21.004) 24.307 6.844 ( 0.628 0.000 10.202) 10.221 7.108 ( 2.396 0.000 -15.080) 15.269 7.394 ( -20.338 0.000 -29.112) 35.513 7.978 ( -25.033 0.000 9.017) 26.608 8.232 ( -7.713 0.000 9.897) 12.548 8.235 ( -30.763 0.000 -15.774) 34.572 8.404 ( -10.000 0.000 -6.698) 12.035 8.694 ( 9.151 0.000 3.987) 9.982 8.838 ( 10.273 0.000 -7.600) 12.779 9.964 ( -1.332 0.000 2.467) 2.803 9.994 ( -4.308 0.000 0.561) 4.344 10.207 ( 14.595 0.000 15.319) 21.158 10.476 ( 8.573 0.000 -10.430) 13.502 10.524 ( -10.573 0.000 -0.175) 10.574 10.536 ( -7.746 0.000 -1.572) 7.904 11.478 ( 6.124 0.000 6.103) 8.646 11.480 ( 11.903 0.000 8.537) 14.648 11.573 ( 6.557 0.000 -3.240) 7.314 11.646 ( 13.219 0.000 -6.671) 14.807 12.212 ( -0.229 0.000 13.916) 13.918 12.493 ( 2.115 0.000 7.417) 7.712 12.494 ( -3.749 0.000 -12.260) 12.820 12.730 ( 2.034 0.000 -14.519) 14.661 13.007 ( -5.270 0.000 5.314) 7.484 13.180 ( -7.779 0.000 -10.535) 13.096 13.441 ( 2.627 0.000 5.386) 5.993 13.578 ( 0.397 0.000 -7.199) 7.209 14.061 ( 0.075 0.000 3.771) 3.772 14.157 ( -2.845 0.000 -5.440) 6.140 14.578 ( 3.533 0.000 7.112) 7.941 14.686 ( 2.584 0.000 2.614) 3.675 14.735 ( 3.635 0.000 -7.363) 8.212 14.743 ( 0.856 0.000 -2.665) 2.799 15.969 ( -6.876 0.000 2.254) 7.236 16.008 ( -4.019 0.000 -1.296) 4.223 16.845 ( 6.563 0.000 13.764) 15.249 17.055 ( 4.957 0.000 -5.675) 7.535 19.171 ( -2.511 0.000 12.107) 12.364 19.392 ( -6.053 0.000 -9.306) 11.101 19.538 ( -10.648 0.000 5.340) 11.912 19.716 ( -9.917 0.000 -11.241) 14.990 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -16.506 0.000 -3.510) 16.875 1.247 ( -17.161 0.000 -10.685) 20.216 2.353 ( 1.654 0.000 -0.115) 1.658 2.420 ( -1.508 0.000 -5.765) 5.959 2.888 ( 3.513 0.000 9.994) 10.593 2.910 ( 6.554 0.000 5.835) 8.775 2.984 ( 4.360 0.000 -1.190) 4.519 3.021 ( 0.159 0.000 -1.310) 1.319 3.288 ( -1.754 0.000 -1.883) 2.573 3.320 ( -2.297 0.000 -5.942) 6.371 4.451 ( 12.122 0.000 6.894) 13.945 4.524 ( 16.191 0.000 1.603) 16.270 4.771 ( 9.304 0.000 11.138) 14.513 5.005 ( 3.010 0.000 -10.670) 11.086 5.980 ( 7.457 0.000 12.662) 14.695 6.226 ( 1.129 0.000 -9.355) 9.423 6.309 ( -6.353 0.000 23.605) 24.445 6.582 ( 21.530 0.000 2.104) 21.633 6.778 ( -7.996 0.000 10.133) 12.908 6.787 ( 5.671 0.000 -11.435) 12.764 6.987 ( -13.969 0.000 -27.836) 31.144 7.033 ( -12.768 0.000 -12.923) 18.167 7.601 ( -11.475 0.000 2.691) 11.787 7.755 ( -16.440 0.000 -12.023) 20.367 7.960 ( -18.016 0.000 8.919) 20.103 8.141 ( -16.482 0.000 -8.310) 18.459 8.921 ( 12.846 0.000 7.192) 14.723 9.055 ( 10.933 0.000 -4.426) 11.795 9.898 ( -4.650 0.000 5.332) 7.074 9.974 ( -0.240 0.000 -2.591) 2.602 10.275 ( -11.630 0.000 4.565) 12.494 10.408 ( -6.402 0.000 -7.809) 10.098 10.421 ( 7.755 0.000 9.185) 12.021 10.574 ( 2.145 0.000 -5.665) 6.057 11.591 ( 5.619 0.000 5.229) 7.676 11.676 ( 3.772 0.000 -2.398) 4.470 11.738 ( 13.206 0.000 9.214) 16.103 11.880 ( 9.726 0.000 -2.980) 10.172 12.224 ( 1.510 0.000 9.122) 9.246 12.418 ( -4.020 0.000 -8.025) 8.976 12.545 ( 3.241 0.000 8.704) 9.288 12.797 ( 4.282 0.000 -14.052) 14.690 12.893 ( -6.729 0.000 3.990) 7.823 13.044 ( -5.539 0.000 -9.667) 11.141 13.479 ( 1.320 0.000 1.912) 2.324 13.571 ( -1.202 0.000 -6.285) 6.399 14.068 ( 0.567 0.000 1.559) 1.659 14.109 ( -1.796 0.000 -2.580) 3.144 14.665 ( 5.135 0.000 7.177) 8.825 14.736 ( 2.360 0.000 1.517) 2.806 14.765 ( 1.211 0.000 -1.093) 1.631 14.804 ( 2.933 0.000 -5.255) 6.018 15.821 ( -7.181 0.000 2.041) 7.465 15.896 ( -6.781 0.000 -4.604) 8.196 16.997 ( 8.494 0.000 12.944) 15.482 17.165 ( 5.309 0.000 -2.326) 5.796 19.127 ( -1.720 0.000 7.072) 7.278 19.268 ( -6.223 0.000 -6.678) 9.128 19.331 ( -9.436 0.000 2.641) 9.799 19.496 ( -11.957 0.000 -12.332) 17.177 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -7.406 0.000 -7.689) 10.676 0.948 ( -10.962 0.000 -11.062) 15.574 2.376 ( 0.883 0.000 -3.466) 3.577 2.394 ( -1.060 0.000 -4.880) 4.994 2.949 ( 2.810 0.000 8.845) 9.280 2.998 ( -2.125 0.000 4.780) 5.231 3.013 ( 3.530 0.000 3.864) 5.233 3.039 ( 0.913 0.000 1.403) 1.674 3.262 ( -0.481 0.000 -5.099) 5.122 3.275 ( -1.746 0.000 -6.873) 7.092 4.701 ( 11.066 0.000 10.617) 15.335 4.772 ( 5.734 0.000 5.394) 7.872 4.920 ( 5.973 0.000 4.681) 7.589 5.005 ( -2.609 0.000 -3.160) 4.098 6.220 ( 2.537 0.000 5.805) 6.335 6.232 ( 17.639 0.000 3.658) 18.014 6.329 ( 9.079 0.000 -4.944) 10.338 6.464 ( -20.264 0.000 -14.478) 24.905 6.558 ( -12.891 0.000 3.372) 13.325 6.648 ( -22.605 0.000 -3.972) 22.951 7.013 ( 20.999 0.000 2.980) 21.210 7.197 ( 11.399 0.000 -13.313) 17.526 7.518 ( 0.385 0.000 -3.546) 3.567 7.568 ( -4.804 0.000 -7.955) 9.293 7.619 ( -11.400 0.000 6.770) 13.259 7.786 ( -18.742 0.000 -8.942) 20.766 9.153 ( 9.506 0.000 5.023) 10.752 9.218 ( 3.861 0.000 -0.884) 3.961 9.818 ( -2.224 0.000 7.005) 7.350 9.876 ( -7.588 0.000 2.121) 7.879 10.197 ( 2.734 0.000 -1.925) 3.343 10.288 ( -5.733 0.000 -8.891) 10.579 10.530 ( 3.870 0.000 3.694) 5.350 10.580 ( -1.222 0.000 -1.094) 1.640 11.685 ( 3.505 0.000 2.794) 4.483 11.717 ( 0.280 0.000 -0.102) 0.298 11.949 ( 7.312 0.000 6.338) 9.677 12.000 ( 2.087 0.000 2.457) 3.224 12.268 ( 2.946 0.000 3.290) 4.416 12.338 ( -4.037 0.000 -2.449) 4.721 12.627 ( 5.269 0.000 8.494) 9.995 12.751 ( -7.210 0.000 5.545) 9.096 12.882 ( 4.166 0.000 -12.503) 13.179 12.958 ( -3.784 0.000 -11.094) 11.722 13.502 ( 1.346 0.000 -1.769) 2.223 13.536 ( -2.032 0.000 -4.787) 5.201 14.079 ( 0.464 0.000 0.159) 0.491 14.088 ( -0.596 0.000 -0.767) 0.971 14.766 ( 4.722 0.000 5.236) 7.051 14.773 ( 1.248 0.000 1.029) 1.617 14.782 ( 0.327 0.000 0.203) 0.385 14.827 ( -1.033 0.000 0.003) 1.033 15.731 ( -1.283 0.000 -1.790) 2.203 15.773 ( -5.027 0.000 -5.292) 7.299 17.151 ( 6.552 0.000 10.179) 12.106 17.222 ( -0.201 0.000 3.926) 3.931 19.116 ( 0.834 0.000 1.710) 1.902 19.164 ( -4.085 0.000 -3.015) 5.078 19.216 ( -1.350 0.000 -3.634) 3.877 19.288 ( -8.160 0.000 -9.979) 12.890 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.000 9.921 0.017) 9.921 1.908 ( 0.000 8.659 -5.033) 10.015 2.212 ( 0.000 -0.351 12.752) 12.757 2.496 ( 0.000 -0.451 -14.035) 14.042 2.605 ( 0.000 -2.311 8.572) 8.878 2.649 ( 0.000 4.859 9.121) 10.335 2.779 ( 0.000 1.185 -6.356) 6.466 2.892 ( 0.000 6.477 -11.594) 13.280 3.184 ( 0.000 -8.006 5.945) 9.972 3.306 ( 0.000 -8.910 -5.558) 10.501 3.915 ( 0.000 -13.849 14.486) 20.041 4.158 ( 0.000 -13.736 -9.511) 16.707 4.526 ( 0.000 16.069 16.372) 22.941 4.885 ( 0.000 13.582 -18.214) 22.720 5.648 ( 0.000 -3.694 1.271) 3.906 5.805 ( 0.000 -4.337 -13.961) 14.620 6.176 ( 0.000 7.333 27.476) 28.438 6.610 ( 0.000 15.373 -5.668) 16.385 6.955 ( 0.000 0.249 0.134) 0.283 6.993 ( 0.000 17.502 -1.700) 17.585 7.268 ( 0.000 4.735 25.215) 25.656 7.838 ( 0.000 -1.318 -10.630) 10.712 8.151 ( 0.000 -2.044 1.828) 2.742 8.394 ( 0.000 -2.203 -12.449) 12.642 8.591 ( 0.000 -1.027 -0.942) 1.393 8.667 ( 0.000 -4.399 -7.610) 8.790 9.034 ( 0.000 6.007 9.941) 11.614 9.104 ( 0.000 -3.695 6.317) 7.319 9.639 ( 0.000 0.744 -6.659) 6.701 9.716 ( 0.000 -11.640 -9.121) 14.788 10.125 ( 0.000 4.037 2.154) 4.576 10.206 ( 0.000 5.384 -5.308) 7.560 10.719 ( 0.000 -1.388 8.116) 8.234 10.849 ( 0.000 -3.304 -3.613) 4.896 11.049 ( 0.000 -4.793 12.090) 13.005 11.278 ( 0.000 -4.468 -6.111) 7.570 11.389 ( 0.000 7.441 -1.212) 7.539 11.440 ( 0.000 6.985 -10.122) 12.298 12.249 ( 0.000 0.246 12.807) 12.809 12.357 ( 0.000 -8.330 3.841) 9.173 12.653 ( 0.000 4.367 -7.336) 8.538 12.732 ( 0.000 0.549 -12.243) 12.256 13.076 ( 0.000 -5.072 9.168) 10.477 13.311 ( 0.000 -5.170 -12.380) 13.416 13.447 ( 0.000 6.529 7.683) 10.083 13.611 ( 0.000 4.090 -7.833) 8.836 14.093 ( 0.000 2.487 6.599) 7.053 14.250 ( 0.000 1.484 -8.777) 8.901 14.549 ( 0.000 1.809 2.555) 3.131 14.629 ( 0.000 -0.888 -4.452) 4.539 14.640 ( 0.000 1.499 4.942) 5.164 14.742 ( 0.000 0.987 -4.914) 5.012 15.999 ( 0.000 -3.528 3.103) 4.698 16.034 ( 0.000 -4.005 -0.407) 4.025 16.752 ( 0.000 2.279 14.723) 14.898 16.980 ( 0.000 -0.812 -6.822) 6.871 19.238 ( 0.000 0.762 15.709) 15.727 19.513 ( 0.000 -1.111 -10.878) 10.935 19.726 ( 0.000 -4.503 3.612) 5.773 19.819 ( 0.000 -8.402 -5.003) 9.779 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -4.228 12.010 -0.830) 12.759 1.867 ( -4.127 10.461 -5.182) 12.382 2.246 ( 2.902 -0.380 9.883) 10.307 2.471 ( -1.699 0.414 -9.623) 9.780 2.636 ( 3.686 -3.115 6.758) 8.304 2.725 ( 5.210 2.912 6.628) 8.919 2.794 ( 2.357 0.430 -4.040) 4.697 2.942 ( 3.769 4.522 -9.054) 10.799 3.205 ( 2.451 -6.323 3.759) 7.754 3.298 ( -0.286 -7.321 -4.661) 8.683 3.934 ( 2.399 -13.842 12.044) 18.504 4.134 ( -1.921 -13.546 -7.831) 15.765 4.602 ( 7.547 16.389 15.641) 23.879 4.947 ( 6.134 14.008 -17.495) 23.237 5.747 ( 9.542 -4.722 2.429) 10.920 5.899 ( 9.030 -5.020 -11.937) 15.787 6.117 ( -4.689 6.795 25.065) 26.389 6.552 ( -5.825 12.994 -11.617) 18.377 6.930 ( 0.536 6.013 13.897) 15.152 7.063 ( -1.358 8.884 9.919) 13.385 7.169 ( -4.070 8.112 3.724) 9.810 7.714 ( -12.642 -1.318 -20.361) 24.003 8.136 ( -3.861 -5.644 7.964) 10.497 8.391 ( -6.051 -7.516 -10.358) 14.156 8.587 ( 0.912 0.738 0.287) 1.207 8.647 ( -3.937 -0.394 -0.533) 3.992 8.704 ( -12.154 7.586 5.190) 15.238 8.989 ( -17.210 8.114 -15.143) 24.317 9.724 ( 12.356 -7.089 8.944) 16.820 9.877 ( 4.317 -10.572 -3.838) 12.047 10.122 ( 0.671 3.179 6.178) 6.980 10.277 ( 6.356 -0.407 -7.359) 9.732 10.702 ( -5.985 1.350 2.683) 6.696 10.733 ( -0.853 4.720 -0.415) 4.814 11.226 ( 10.650 -6.459 7.501) 14.539 11.350 ( 6.516 -2.969 -1.474) 7.310 11.437 ( 3.559 4.045 -3.437) 6.391 11.486 ( 6.529 6.559 -6.147) 11.110 12.250 ( 0.102 0.884 12.490) 12.521 12.367 ( 1.119 -7.554 3.180) 8.272 12.612 ( -3.808 3.394 -6.872) 8.558 12.704 ( -2.448 -0.933 -12.970) 13.232 13.039 ( -3.610 -4.895 8.162) 10.179 13.253 ( -5.603 -5.149 -11.551) 13.832 13.469 ( 2.093 6.117 6.069) 8.867 13.611 ( 0.221 3.704 -7.269) 8.161 14.087 ( -0.568 2.188 5.766) 6.193 14.224 ( -2.462 1.191 -7.497) 7.980 14.555 ( 1.001 1.747 3.943) 4.427 14.650 ( 1.525 -0.986 -2.975) 3.485 14.664 ( 2.450 1.629 2.131) 3.632 14.756 ( 1.440 1.756 -5.107) 5.589 16.012 ( 0.795 -2.886 2.074) 3.642 16.028 ( -1.088 -2.957 0.414) 3.178 16.763 ( 1.353 1.071 13.925) 14.032 16.976 ( 0.075 -1.698 -6.122) 6.353 19.221 ( -1.681 0.758 14.404) 14.521 19.476 ( -3.674 -1.132 -10.309) 11.002 19.665 ( -6.072 -4.123 3.871) 8.298 19.775 ( -4.524 -7.909 -6.346) 11.104 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -9.278 17.567 -1.163) 19.901 1.745 ( -8.535 15.705 -6.388) 18.982 2.303 ( 2.694 -0.176 4.346) 5.116 2.443 ( -1.223 0.289 -7.274) 7.382 2.738 ( 6.367 -3.841 6.443) 9.839 2.804 ( 3.276 -1.308 4.440) 5.670 2.872 ( 4.415 -0.507 1.323) 4.637 2.999 ( 1.780 -0.316 -4.935) 5.255 3.262 ( 1.933 -3.242 0.658) 3.831 3.318 ( 2.364 -1.753 -4.536) 5.407 4.036 ( 8.669 -14.696 5.908) 18.056 4.118 ( 1.416 -14.389 -2.570) 14.685 4.801 ( 12.061 17.475 13.804) 25.326 5.106 ( 9.317 15.728 -15.339) 23.864 5.921 ( 2.444 -1.122 14.990) 15.229 6.076 ( 10.324 -2.907 5.683) 12.138 6.152 ( 10.828 -3.321 0.119) 11.327 6.429 ( -4.906 7.425 -12.458) 15.310 6.824 ( -10.924 2.205 20.376) 23.225 6.999 ( -0.072 10.644 8.154) 13.408 7.177 ( -2.418 5.587 -10.196) 11.875 7.390 ( -18.753 -0.689 -24.655) 30.984 7.901 ( -15.800 -2.439 4.416) 16.586 8.114 ( -21.167 -7.050 -13.447) 26.050 8.416 ( -12.549 11.428 6.501) 18.175 8.530 ( -11.241 8.084 -5.647) 14.953 8.714 ( 8.973 2.237 6.619) 11.373 8.896 ( 7.068 5.496 -8.151) 12.108 9.865 ( 3.039 -7.431 1.749) 8.217 9.895 ( -1.520 -8.073 0.020) 8.215 10.210 ( 7.099 -1.905 9.734) 12.198 10.352 ( -0.700 -6.467 -4.591) 7.961 10.615 ( -2.946 8.140 3.569) 9.364 10.719 ( -1.086 11.384 -5.341) 12.621 11.389 ( 6.745 -6.054 7.418) 11.712 11.484 ( 6.267 -5.832 -1.092) 8.631 11.562 ( 9.997 4.353 4.367) 11.746 11.684 ( 12.103 3.402 -6.016) 13.938 12.250 ( -0.273 2.081 11.123) 11.319 12.398 ( 1.736 -6.274 1.347) 6.647 12.526 ( -4.428 1.131 -4.581) 6.471 12.670 ( -0.170 -4.906 -13.523) 14.386 12.950 ( -5.092 -4.870 5.233) 8.777 13.111 ( -8.258 -5.659 -9.791) 14.003 13.520 ( 2.780 6.119 3.348) 7.508 13.622 ( 0.698 3.648 -6.082) 7.127 14.075 ( -0.536 1.305 3.691) 3.951 14.166 ( -3.208 0.667 -5.073) 6.040 14.594 ( 2.965 1.274 5.072) 6.011 14.682 ( 1.797 -1.394 -1.696) 2.837 14.722 ( 3.112 1.927 0.625) 3.713 14.795 ( 2.379 2.630 -5.226) 6.315 15.971 ( -4.576 0.218 2.349) 5.148 16.007 ( -1.968 -0.076 -0.922) 2.175 16.816 ( 4.201 -2.426 12.723) 13.616 17.003 ( 2.868 -4.610 -4.608) 7.121 19.177 ( -2.564 0.679 10.851) 11.170 19.378 ( -6.062 -1.186 -8.667) 10.643 19.503 ( -9.848 -3.032 3.805) 10.984 19.643 ( -8.816 -6.447 -9.011) 14.159 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -10.621 24.835 -1.430) 27.048 1.543 ( -11.388 23.007 -6.794) 26.554 2.350 ( 2.052 0.352 -0.151) 2.087 2.421 ( -1.023 0.660 -5.907) 6.032 2.863 ( 2.906 -2.644 6.995) 8.023 2.870 ( 6.507 -4.254 5.883) 9.750 2.943 ( 2.520 -3.274 1.259) 4.319 3.018 ( 0.594 -1.912 -2.501) 3.203 3.276 ( 0.004 -0.190 -0.239) 0.306 3.338 ( -0.999 1.975 -6.130) 6.517 4.217 ( 8.639 -17.277 4.573) 19.850 4.259 ( 12.335 -17.944 1.652) 21.837 5.041 ( 11.751 18.910 10.554) 24.639 5.268 ( 6.156 19.405 -10.844) 23.066 5.957 ( 5.194 -1.360 14.260) 15.237 6.239 ( 2.434 1.219 -9.172) 9.567 6.271 ( -2.688 -2.893 21.380) 21.742 6.474 ( 11.112 -4.195 1.359) 11.955 6.752 ( 4.203 -2.207 -10.909) 11.897 6.898 ( -22.354 -2.527 -23.723) 32.694 6.933 ( -7.435 5.862 6.561) 11.519 7.117 ( -9.397 2.199 -9.710) 13.691 7.685 ( -9.408 1.584 -2.444) 9.849 7.724 ( -11.096 3.586 -5.725) 12.991 8.157 ( -13.394 14.376 5.011) 20.277 8.280 ( -14.190 14.097 -6.374) 20.993 8.931 ( 12.173 0.932 8.130) 14.668 9.076 ( 9.584 1.972 -4.763) 10.882 9.842 ( -2.874 -5.147 5.271) 7.907 9.926 ( 2.047 -4.534 -3.275) 5.955 10.230 ( -7.972 -2.789 2.748) 8.882 10.303 ( -0.509 -4.997 -2.917) 5.808 10.589 ( 1.123 10.816 5.803) 12.326 10.708 ( -0.436 10.494 -4.635) 11.480 11.516 ( 6.122 -6.228 5.854) 10.514 11.589 ( 4.218 -6.961 -0.724) 8.172 11.787 ( 11.946 3.452 7.114) 14.326 11.908 ( 9.943 2.328 -3.583) 10.822 12.237 ( -0.886 0.968 8.148) 8.254 12.394 ( -3.660 -2.092 -6.082) 7.401 12.483 ( 1.698 -4.863 6.403) 8.218 12.703 ( 3.140 -8.228 -12.998) 15.701 12.838 ( -6.725 -4.951 3.002) 8.874 12.962 ( -6.356 -6.886 -8.391) 12.579 13.565 ( 1.742 6.921 0.546) 7.157 13.629 ( -0.140 4.937 -5.235) 7.197 14.070 ( 0.047 0.146 1.385) 1.394 14.111 ( -2.198 -0.017 -2.638) 3.434 14.666 ( 4.277 0.254 4.804) 6.437 14.724 ( 2.449 -1.329 -0.518) 2.834 14.775 ( 2.030 1.803 1.015) 2.898 14.835 ( 1.274 1.817 -3.864) 4.456 15.871 ( -4.809 4.633 2.330) 7.072 15.938 ( -4.630 3.977 -3.675) 7.124 16.922 ( 6.352 -6.690 11.904) 15.060 17.073 ( 3.493 -8.276 -1.834) 9.169 19.131 ( -1.844 0.449 6.040) 6.331 19.255 ( -6.053 -1.119 -6.099) 8.666 19.312 ( -8.731 -1.624 1.520) 9.010 19.447 ( -10.598 -4.278 -10.486) 15.510 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -4.215 30.763 -3.117) 31.207 1.352 ( -6.590 29.826 -5.429) 31.024 2.383 ( 1.303 1.080 -3.137) 3.565 2.403 ( -0.892 1.288 -4.771) 5.021 2.914 ( 2.233 -3.371 7.411) 8.443 2.944 ( -0.320 -4.271 5.724) 7.149 2.988 ( 3.300 -3.320 0.990) 4.784 3.025 ( -0.381 -2.607 -0.542) 2.690 3.278 ( 0.542 2.086 -2.475) 3.282 3.302 ( -1.891 2.843 -4.859) 5.939 4.394 ( 7.522 -20.644 7.673) 23.273 4.438 ( 4.014 -21.041 4.303) 21.848 5.237 ( 7.669 20.052 5.017) 22.047 5.321 ( -0.829 21.296 -2.821) 21.498 6.130 ( 8.971 -5.747 4.630) 11.617 6.226 ( 3.436 -1.665 8.494) 9.313 6.304 ( 4.571 -1.008 -7.492) 8.834 6.495 ( -11.457 2.580 -12.319) 17.020 6.549 ( -9.239 -2.767 -1.259) 9.726 6.609 ( -16.418 -0.259 -3.767) 16.847 6.947 ( 11.484 -2.988 -0.068) 11.867 7.100 ( 0.393 -4.507 -12.781) 13.558 7.538 ( 1.142 -2.228 3.916) 4.648 7.657 ( -4.459 0.663 -7.404) 8.668 7.948 ( -5.284 24.857 1.172) 25.440 8.017 ( -10.703 24.462 -5.029) 27.171 9.150 ( 8.901 -0.424 5.249) 10.342 9.215 ( 2.978 -0.257 -0.900) 3.121 9.799 ( -0.255 -1.495 6.877) 7.042 9.873 ( -6.625 -0.065 0.790) 6.672 10.163 ( 2.429 -3.232 -1.451) 4.295 10.244 ( -4.561 -3.696 -7.491) 9.518 10.640 ( 3.057 9.582 3.603) 10.684 10.688 ( -1.737 9.597 -0.986) 9.803 11.613 ( 3.429 -6.392 3.327) 7.980 11.640 ( 0.721 -6.734 0.947) 6.838 11.990 ( 7.774 3.225 5.495) 10.052 12.044 ( 2.936 3.864 1.152) 4.988 12.228 ( 0.796 -3.215 3.394) 4.742 12.296 ( -5.352 -3.211 -2.358) 6.672 12.562 ( 5.700 -5.704 6.787) 10.540 12.693 ( -7.508 -5.308 4.865) 10.403 12.777 ( 4.177 -9.060 -12.081) 15.668 12.862 ( -4.466 -8.236 -9.938) 13.658 13.592 ( 1.175 7.411 -2.180) 7.814 13.615 ( -1.150 6.654 -4.286) 7.998 14.074 ( 0.300 -0.613 0.001) 0.683 14.083 ( -0.754 -0.617 -0.911) 1.334 14.751 ( 3.757 -0.581 2.961) 4.819 14.770 ( 1.958 -0.219 0.412) 2.013 14.796 ( 0.354 0.582 1.828) 1.951 14.830 ( -1.853 0.256 -0.426) 1.919 15.815 ( -0.485 7.720 -0.829) 7.779 15.850 ( -3.721 7.237 -3.879) 9.015 17.043 ( 5.368 -9.823 9.212) 14.497 17.107 ( -0.670 -10.486 3.580) 11.100 19.117 ( 0.588 0.085 1.311) 1.439 19.159 ( -3.664 -0.472 -2.967) 4.738 19.202 ( -1.480 -1.228 -3.594) 4.077 19.264 ( -7.166 -2.139 -8.833) 11.573 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 11.389 1.512) 11.489 2.136 ( 0.000 10.984 1.203) 11.050 2.239 ( 0.000 4.045 8.456) 9.373 2.488 ( 0.000 -3.268 -3.195) 4.570 2.564 ( 0.000 1.929 0.623) 2.027 2.722 ( 0.000 -0.946 -1.141) 1.482 2.827 ( 0.000 2.267 -0.428) 2.308 2.969 ( 0.000 -7.416 -10.083) 12.517 3.000 ( 0.000 -4.771 4.371) 6.471 3.143 ( 0.000 1.537 -7.219) 7.381 3.608 ( 0.000 -12.864 10.922) 16.875 3.835 ( 0.000 -15.574 -10.389) 18.721 4.901 ( 0.000 17.251 11.669) 20.827 5.160 ( 0.000 9.599 -12.096) 15.442 5.578 ( 0.000 -2.131 -0.987) 2.348 5.709 ( 0.000 -4.703 -12.372) 13.236 6.370 ( 0.000 10.640 27.205) 29.212 6.784 ( 0.000 -4.354 -3.553) 5.620 7.135 ( 0.000 20.761 20.887) 29.450 7.421 ( 0.000 8.736 9.794) 13.124 7.435 ( 0.000 20.884 -5.395) 21.570 7.784 ( 0.000 -3.697 -8.932) 9.667 8.041 ( 0.000 -8.977 5.825) 10.702 8.293 ( 0.000 -8.151 -12.204) 14.676 8.587 ( 0.000 0.886 -1.895) 2.092 8.591 ( 0.000 -1.262 -0.825) 1.508 8.995 ( 0.000 -5.314 -0.263) 5.320 9.076 ( 0.000 -4.569 -2.920) 5.423 9.573 ( 0.000 0.577 0.789) 0.977 9.679 ( 0.000 1.741 -7.699) 7.894 10.189 ( 0.000 1.731 1.593) 2.352 10.261 ( 0.000 -0.178 -4.829) 4.832 10.708 ( 0.000 0.621 6.901) 6.929 10.776 ( 0.000 -2.918 0.315) 2.935 10.952 ( 0.000 -2.995 6.730) 7.366 11.118 ( 0.000 -8.662 -7.866) 11.701 11.598 ( 0.000 11.764 0.679) 11.783 11.675 ( 0.000 13.286 -7.457) 15.236 12.143 ( 0.000 -11.549 3.410) 12.042 12.186 ( 0.000 -6.865 1.101) 6.953 12.745 ( 0.000 4.230 -0.746) 4.295 12.792 ( 0.000 4.981 -5.045) 7.089 12.973 ( 0.000 -4.004 6.178) 7.362 13.173 ( 0.000 -7.724 -11.284) 13.674 13.587 ( 0.000 6.049 4.433) 7.499 13.683 ( 0.000 2.065 -4.575) 5.019 14.165 ( 0.000 4.015 4.733) 6.207 14.273 ( 0.000 0.125 -5.713) 5.715 14.586 ( 0.000 1.311 -0.224) 1.330 14.611 ( 0.000 -0.619 -2.337) 2.418 14.693 ( 0.000 3.313 2.676) 4.259 14.763 ( 0.000 0.722 -4.054) 4.118 15.912 ( 0.000 -3.946 2.168) 4.502 15.932 ( 0.000 -4.804 0.127) 4.806 16.818 ( 0.000 3.656 10.546) 11.162 16.951 ( 0.000 -1.973 -2.026) 2.828 19.277 ( 0.000 3.408 12.107) 12.577 19.494 ( 0.000 -0.284 -8.881) 8.885 19.602 ( 0.000 -10.862 0.819) 10.893 19.612 ( 0.000 -5.453 -0.615) 5.488 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.617 13.145 0.486) 13.168 2.131 ( -0.770 12.974 1.517) 13.085 2.274 ( 3.186 4.114 6.987) 8.712 2.513 ( 0.513 1.917 -10.904) 11.083 2.540 ( 0.266 -3.843 10.223) 10.925 2.729 ( 0.060 -2.934 -4.484) 5.359 2.824 ( -0.335 -1.254 1.439) 1.938 2.912 ( -2.313 -8.992 -4.664) 10.391 3.101 ( 6.700 -2.284 0.402) 7.090 3.206 ( 6.035 3.180 -6.199) 9.217 3.631 ( 2.494 -12.512 8.926) 15.570 3.824 ( -1.062 -14.583 -9.012) 17.176 4.980 ( 7.914 17.148 11.233) 21.974 5.226 ( 6.644 9.512 -11.308) 16.202 5.672 ( 9.335 -1.807 -0.292) 9.513 5.798 ( 8.876 -4.623 -11.001) 14.872 6.299 ( -6.554 10.371 26.140) 28.876 6.698 ( -8.037 -2.715 -3.439) 9.154 7.113 ( -3.970 15.601 19.909) 25.603 7.303 ( -8.845 9.182 7.157) 14.620 7.432 ( -2.102 14.037 -4.008) 14.749 7.665 ( -11.899 -2.929 -16.896) 20.872 8.015 ( -3.461 -5.753 5.399) 8.615 8.216 ( -8.161 -8.594 -10.021) 15.520 8.605 ( 1.832 1.507 1.166) 2.643 8.656 ( 5.871 3.102 -2.261) 7.014 8.836 ( -7.856 2.144 5.473) 9.812 9.070 ( -4.141 -2.948 -13.123) 14.073 9.665 ( 5.301 2.910 2.953) 6.729 9.749 ( 3.285 1.038 -3.495) 4.907 10.073 ( -5.828 -7.592 4.501) 10.577 10.165 ( -2.467 -9.018 -3.728) 10.066 10.782 ( 2.396 5.816 5.767) 8.534 10.877 ( 6.521 7.571 -3.261) 10.511 11.069 ( 10.811 -7.379 7.913) 15.295 11.206 ( 8.135 -7.986 -5.112) 12.493 11.616 ( 1.881 10.705 0.894) 10.906 11.691 ( 2.293 12.175 -6.602) 14.039 12.143 ( 0.349 -10.861 4.579) 11.793 12.213 ( 2.455 -7.652 -0.894) 8.085 12.688 ( -5.271 3.889 -0.782) 6.597 12.735 ( -5.350 4.253 -5.573) 8.819 12.931 ( -4.087 -4.498 5.600) 8.265 13.113 ( -5.906 -7.863 -10.518) 14.399 13.602 ( 1.638 5.738 3.273) 6.806 13.683 ( 0.223 2.312 -4.373) 4.951 14.149 ( -1.548 3.369 3.953) 5.419 14.241 ( -2.943 -0.039 -4.894) 5.710 14.590 ( 0.835 1.353 0.946) 1.850 14.627 ( 1.190 -0.892 -2.099) 2.573 14.726 ( 2.936 3.644 1.599) 4.945 14.791 ( 2.471 1.226 -4.343) 5.145 15.939 ( 2.486 -3.348 1.895) 4.580 15.951 ( 1.785 -3.700 0.619) 4.155 16.801 ( -1.573 2.487 10.078) 10.499 16.927 ( -2.169 -2.798 -1.790) 3.967 19.259 ( -1.831 3.269 10.772) 11.405 19.455 ( -3.864 -0.505 -8.303) 9.172 19.560 ( -4.946 -5.616 0.016) 7.483 19.573 ( -3.311 -9.499 -0.878) 10.097 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -3.102 16.648 2.655) 17.142 2.108 ( -1.523 18.322 -1.306) 18.431 2.345 ( 3.596 5.172 2.605) 6.817 2.485 ( -1.332 3.587 -6.011) 7.125 2.610 ( 4.910 -7.571 7.636) 11.821 2.729 ( 0.425 -5.894 -1.828) 6.185 2.820 ( 0.307 -6.117 1.148) 6.231 2.892 ( 0.157 -9.393 -5.311) 10.791 3.234 ( 6.081 2.091 2.711) 6.978 3.337 ( 6.194 3.302 -5.410) 8.862 3.716 ( 6.318 -13.584 3.681) 15.427 3.807 ( -0.042 -13.497 -4.679) 14.285 5.192 ( 13.010 17.067 10.180) 23.753 5.407 ( 11.370 9.543 -9.261) 17.496 5.918 ( 14.382 1.049 2.805) 14.690 6.032 ( 13.611 -2.997 -5.053) 14.825 6.159 ( -5.674 6.371 21.527) 23.155 6.513 ( -9.558 -1.271 -4.765) 10.755 6.926 ( -13.095 7.809 6.716) 16.660 7.148 ( -8.926 2.098 6.199) 11.068 7.299 ( -13.277 4.835 -5.158) 15.043 7.368 ( -15.411 -0.678 -17.974) 23.685 7.905 ( -6.890 1.199 -1.805) 7.222 7.989 ( -14.512 -4.552 -8.515) 17.431 8.627 ( -2.170 8.410 4.413) 9.743 8.711 ( -1.994 9.522 -4.290) 10.632 8.800 ( 5.874 4.642 10.858) 13.189 9.027 ( 1.896 4.554 -9.018) 10.279 9.695 ( 1.900 -7.426 1.314) 7.777 9.729 ( -3.792 -6.113 -1.669) 7.384 10.122 ( 7.619 -4.930 4.480) 10.121 10.208 ( 2.909 -6.993 -3.852) 8.497 10.811 ( 0.862 8.308 7.131) 10.983 10.931 ( 0.153 5.935 -3.679) 6.985 11.272 ( 8.129 -2.563 7.205) 11.160 11.361 ( 6.117 -4.329 -1.289) 7.604 11.694 ( 6.845 7.750 3.470) 10.907 11.792 ( 7.906 7.133 -5.862) 12.155 12.163 ( 1.626 -10.086 6.091) 11.895 12.271 ( 3.171 -7.972 -3.360) 9.214 12.564 ( -6.824 3.107 -1.424) 7.632 12.614 ( -6.240 1.862 -6.828) 9.436 12.828 ( -6.087 -5.984 3.638) 9.279 12.960 ( -9.153 -8.296 -8.511) 15.002 13.652 ( 3.344 5.568 1.028) 6.576 13.702 ( 1.788 3.171 -3.747) 5.224 14.111 ( -2.177 1.937 2.282) 3.701 14.173 ( -3.807 -0.303 -3.630) 5.269 14.621 ( 2.242 1.112 1.916) 3.152 14.655 ( 1.785 -0.929 -1.162) 2.323 14.786 ( 2.668 3.364 0.658) 4.344 14.840 ( 2.110 1.351 -4.190) 4.882 15.980 ( 1.535 0.613 2.580) 3.064 16.005 ( 3.282 -0.164 0.188) 3.292 16.766 ( -1.735 -1.560 9.254) 9.544 16.882 ( -2.159 -6.116 -1.471) 6.650 19.210 ( -3.046 2.694 7.312) 8.366 19.352 ( -6.273 -0.996 -6.750) 9.269 19.428 ( -7.997 -3.555 0.286) 8.757 19.478 ( -6.309 -8.084 -3.814) 10.941 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -3.977 22.198 2.792) 22.724 2.048 ( -4.146 23.219 -1.304) 23.622 2.406 ( 2.631 5.684 -1.028) 6.347 2.472 ( -0.203 4.096 -5.161) 6.592 2.715 ( 5.237 -9.598 7.589) 13.310 2.758 ( 2.569 -7.853 1.951) 8.489 2.837 ( 1.228 -7.137 0.881) 7.295 2.906 ( 0.886 -8.373 -4.637) 9.612 3.322 ( 3.163 5.006 2.506) 6.430 3.412 ( 1.193 4.937 -5.239) 7.297 3.841 ( 4.868 -16.787 2.013) 17.594 3.871 ( 7.409 -16.759 -0.266) 18.326 5.449 ( 12.280 16.959 9.451) 22.972 5.644 ( 11.974 11.098 -8.056) 18.206 5.996 ( -3.323 7.552 15.867) 17.885 6.202 ( 2.802 -1.261 10.044) 10.504 6.299 ( 11.234 1.194 2.506) 11.572 6.418 ( 2.767 -0.784 -11.209) 11.572 6.715 ( -6.286 -0.525 -6.463) 9.031 6.858 ( -18.831 -2.775 -14.420) 23.879 7.008 ( -12.066 2.992 -1.239) 12.493 7.122 ( -10.390 -1.198 -9.156) 13.900 7.666 ( -15.584 -0.829 0.841) 15.629 7.770 ( -9.245 -2.348 -7.760) 12.296 8.549 ( -3.300 20.480 6.921) 21.869 8.655 ( -4.069 18.483 -3.627) 19.270 8.955 ( 9.134 0.877 10.072) 13.625 9.122 ( 5.755 1.212 -5.684) 8.179 9.700 ( 1.264 -7.229 4.286) 8.499 9.784 ( 6.308 -8.497 -3.842) 11.259 10.183 ( -5.454 -1.447 0.224) 5.647 10.214 ( 0.045 -3.155 -2.618) 4.100 10.833 ( 2.213 10.668 7.152) 13.033 10.936 ( 0.864 8.564 -2.513) 8.967 11.384 ( 3.897 -4.248 6.263) 8.512 11.440 ( 2.456 -5.480 0.816) 6.060 11.867 ( 9.861 4.150 5.058) 11.834 11.963 ( 8.721 2.743 -4.129) 10.031 12.201 ( 1.840 -6.400 6.904) 9.592 12.317 ( 0.506 -5.717 -3.432) 6.688 12.442 ( -5.104 2.275 -0.988) 5.674 12.520 ( -2.456 -5.030 -8.457) 10.141 12.701 ( -7.095 -7.379 1.028) 10.288 12.785 ( -7.979 -9.259 -6.853) 14.013 13.720 ( 3.243 6.630 -0.824) 7.427 13.745 ( 2.252 5.074 -3.198) 6.407 14.070 ( -1.920 -0.177 0.530) 2.000 14.101 ( -3.370 -1.073 -2.467) 4.312 14.676 ( 3.412 0.624 2.158) 4.085 14.701 ( 2.943 -0.725 -0.277) 3.043 14.819 ( 0.541 2.009 0.710) 2.198 14.861 ( -0.233 0.432 -2.888) 2.930 16.008 ( 1.586 7.786 3.225) 8.575 16.059 ( 1.912 6.757 -1.373) 7.155 16.744 ( -0.177 -8.781 8.815) 12.444 16.847 ( -1.571 -11.873 -0.571) 11.990 19.151 ( -2.582 1.633 3.113) 4.362 19.229 ( -5.746 -1.118 -4.792) 7.565 19.273 ( -7.235 -1.744 -0.766) 7.482 19.338 ( -7.558 -5.357 -6.020) 11.048 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -1.315 26.663 1.811) 26.757 1.976 ( -2.594 26.975 0.232) 27.101 2.448 ( 1.625 5.199 -2.884) 6.163 2.468 ( -0.460 4.726 -4.152) 6.308 2.786 ( 2.208 -8.969 6.309) 11.185 2.804 ( 0.759 -8.964 5.361) 10.472 2.872 ( 2.521 -7.387 -1.448) 7.938 2.909 ( -0.861 -7.992 -3.113) 8.620 3.370 ( 2.006 6.883 0.542) 7.190 3.404 ( -1.366 6.943 -2.498) 7.504 3.945 ( 4.720 -20.137 4.411) 21.148 3.977 ( 2.139 -20.778 1.800) 20.965 5.654 ( 8.789 16.415 5.803) 19.504 5.772 ( -1.524 18.218 -4.316) 18.784 6.016 ( 6.762 -4.667 6.967) 10.773 6.169 ( -5.521 -3.603 -0.385) 6.604 6.362 ( 2.957 6.839 -1.878) 7.684 6.496 ( -5.751 2.093 -5.560) 8.269 6.564 ( -2.326 1.462 -4.035) 4.882 6.630 ( -8.669 0.912 -7.541) 11.526 6.929 ( 6.693 1.727 -2.450) 7.334 7.053 ( 0.092 0.047 -12.071) 12.072 7.430 ( -4.744 -7.853 4.129) 10.061 7.554 ( -12.034 -9.091 -7.428) 16.812 8.527 ( 0.922 26.257 3.767) 26.542 8.574 ( -3.643 25.157 -0.759) 25.430 9.120 ( 6.840 -3.153 6.019) 9.641 9.190 ( 0.193 -3.250 -0.617) 3.314 9.774 ( 6.037 -0.199 5.306) 8.040 9.876 ( -0.341 -0.047 -3.451) 3.468 10.067 ( -1.752 -4.957 0.687) 5.302 10.145 ( -5.838 -5.379 -5.764) 9.810 10.898 ( 3.573 13.653 4.521) 14.819 10.944 ( -0.794 13.233 0.152) 13.258 11.440 ( 2.055 -9.210 4.590) 10.494 11.463 ( -0.117 -9.238 2.460) 9.561 12.052 ( 8.695 2.291 4.210) 9.928 12.120 ( 7.303 0.790 -2.348) 7.711 12.188 ( -4.257 1.687 4.357) 6.321 12.252 ( -6.159 -0.731 -2.074) 6.540 12.422 ( 3.396 -5.331 1.683) 6.541 12.513 ( -2.406 -10.574 -2.168) 11.059 12.580 ( -1.055 -8.045 -5.078) 9.571 12.656 ( -5.618 -10.176 -7.862) 14.033 13.769 ( 1.594 8.407 -2.205) 8.836 13.777 ( 0.775 7.779 -2.978) 8.366 14.042 ( -0.707 -2.576 -0.569) 2.731 14.050 ( -1.580 -2.714 -1.340) 3.414 14.748 ( 3.542 0.236 1.679) 3.927 14.765 ( 3.309 -0.320 -0.019) 3.325 14.806 ( -1.709 0.489 1.199) 2.144 14.831 ( -2.653 -0.311 -0.881) 2.813 16.044 ( 1.966 13.496 1.423) 13.712 16.072 ( -0.567 13.339 -1.095) 13.396 16.764 ( 2.042 -15.621 6.875) 17.189 16.810 ( -2.302 -16.477 2.660) 16.848 19.122 ( -0.173 0.553 -0.209) 0.616 19.148 ( -2.619 -0.387 -3.124) 4.095 19.172 ( -2.031 -1.346 -3.227) 4.043 19.209 ( -4.950 -2.747 -5.993) 8.243 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 -0.337 9.760) 9.766 2.259 ( 0.000 0.337 9.760) 9.766 2.383 ( 0.000 -5.576 3.866) 6.785 2.383 ( 0.000 5.576 3.866) 6.785 2.657 ( 0.000 -4.152 -7.278) 8.379 2.657 ( 0.000 4.152 -7.278) 8.379 2.776 ( 0.000 -2.407 -11.020) 11.279 2.776 ( 0.000 2.407 -11.020) 11.279 3.123 ( 0.000 -8.577 7.645) 11.489 3.123 ( 0.000 8.577 7.645) 11.489 3.549 ( 0.000 -9.208 -6.375) 11.199 3.549 ( 0.000 9.208 -6.375) 11.199 5.182 ( 0.000 -7.737 3.679) 8.567 5.182 ( 0.000 7.737 3.679) 8.567 5.606 ( 0.000 -4.481 -10.290) 11.223 5.606 ( 0.000 4.481 -10.290) 11.223 6.605 ( 0.000 -10.777 18.213) 21.163 6.605 ( 0.000 10.777 18.213) 21.163 7.591 ( 0.000 -6.939 10.268) 12.393 7.591 ( 0.000 6.939 10.268) 12.393 7.599 ( 0.000 -17.953 -2.168) 18.084 7.599 ( 0.000 17.953 -2.168) 18.084 8.042 ( 0.000 -13.711 -5.103) 14.630 8.042 ( 0.000 13.711 -5.103) 14.630 8.603 ( 0.000 -0.463 -2.013) 2.065 8.603 ( 0.000 0.463 -2.013) 2.065 8.951 ( 0.000 -2.888 -7.008) 7.580 8.951 ( 0.000 2.888 -7.008) 7.580 9.658 ( 0.000 -4.031 -0.035) 4.031 9.658 ( 0.000 4.031 -0.035) 4.031 10.224 ( 0.000 -2.224 -2.305) 3.203 10.224 ( 0.000 2.224 -2.305) 3.203 10.733 ( 0.000 -1.419 4.855) 5.058 10.733 ( 0.000 1.419 4.855) 5.058 10.967 ( 0.000 -4.594 -2.276) 5.127 10.967 ( 0.000 4.594 -2.276) 5.127 11.857 ( 0.000 -10.046 1.105) 10.107 11.857 ( 0.000 10.046 1.105) 10.107 11.981 ( 0.000 -9.625 -4.329) 10.554 11.981 ( 0.000 9.625 -4.329) 10.554 12.828 ( 0.000 -3.101 4.358) 5.349 12.828 ( 0.000 3.101 4.358) 5.349 13.002 ( 0.000 -7.407 -7.417) 10.482 13.002 ( 0.000 7.407 -7.417) 10.482 13.681 ( 0.000 -2.418 0.152) 2.423 13.681 ( 0.000 2.418 0.152) 2.423 14.243 ( 0.000 -2.874 -0.340) 2.894 14.243 ( 0.000 2.874 -0.340) 2.894 14.602 ( 0.000 -0.403 -1.546) 1.598 14.602 ( 0.000 0.403 -1.546) 1.598 14.755 ( 0.000 -1.843 -0.978) 2.086 14.755 ( 0.000 1.843 -0.978) 2.086 15.869 ( 0.000 -0.505 0.990) 1.112 15.869 ( 0.000 0.505 0.990) 1.112 16.895 ( 0.000 -3.321 4.433) 5.539 16.895 ( 0.000 3.321 4.433) 5.539 19.395 ( 0.000 -7.813 6.748) 10.324 19.395 ( 0.000 7.813 6.748) 10.324 19.521 ( 0.000 -2.791 -5.120) 5.831 19.521 ( 0.000 2.791 -5.120) 5.831 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 2.808 -1.244 10.260) 10.709 2.289 ( 2.808 1.244 10.260) 10.709 2.417 ( 3.128 -4.976 3.869) 7.036 2.417 ( 3.128 4.976 3.869) 7.036 2.629 ( -2.529 -5.960 -6.406) 9.108 2.629 ( -2.529 5.960 -6.406) 9.108 2.740 ( -2.845 -0.354 -11.018) 11.385 2.740 ( -2.845 0.354 -11.018) 11.385 3.196 ( 6.542 -6.922 5.983) 11.248 3.196 ( 6.542 6.922 5.983) 11.248 3.565 ( 1.382 -7.928 -5.838) 9.942 3.565 ( 1.382 7.928 -5.838) 9.942 5.253 ( 7.101 -7.147 3.553) 10.683 5.253 ( 7.101 7.147 3.553) 10.683 5.701 ( 9.515 -4.118 -8.933) 13.685 5.701 ( 9.515 4.118 -8.933) 13.685 6.534 ( -6.779 -10.780 17.617) 21.737 6.534 ( -6.779 10.780 17.617) 21.737 7.402 ( -13.626 -4.926 2.902) 14.777 7.402 ( -13.626 4.926 2.902) 14.777 7.582 ( -6.694 -5.951 -2.796) 9.383 7.582 ( -6.694 5.951 -2.796) 9.383 8.025 ( -2.263 -8.259 -3.225) 9.150 8.025 ( -2.263 8.259 -3.225) 9.150 8.674 ( 5.726 -3.505 3.498) 7.570 8.674 ( 5.726 3.505 3.498) 7.570 8.910 ( -0.857 -8.194 -9.439) 12.529 8.910 ( -0.857 8.194 -9.439) 12.529 9.811 ( 10.079 -6.339 2.100) 12.091 9.811 ( 10.079 6.339 2.100) 12.091 9.955 ( -15.700 -6.743 -2.649) 17.290 9.955 ( -15.700 6.743 -2.649) 17.290 10.912 ( 4.362 -5.975 6.405) 9.785 10.912 ( 4.362 5.975 6.405) 9.785 11.046 ( 12.980 -6.894 -3.287) 15.060 11.046 ( 12.980 6.894 -3.287) 15.060 11.858 ( 0.336 -9.516 1.386) 9.622 11.858 ( 0.336 9.516 1.386) 9.622 11.995 ( 1.516 -9.835 -4.708) 11.009 11.995 ( 1.516 9.835 -4.708) 11.009 12.771 ( -5.366 -3.119 3.434) 7.094 12.771 ( -5.366 3.119 3.434) 7.094 12.943 ( -5.800 -6.948 -6.655) 11.234 12.943 ( -5.800 6.948 -6.655) 11.234 13.688 ( 0.991 -2.024 -0.362) 2.282 13.688 ( 0.991 2.024 -0.362) 2.282 14.214 ( -2.690 -2.422 -0.473) 3.651 14.214 ( -2.690 2.422 -0.473) 3.651 14.611 ( 0.951 -0.737 -0.806) 1.449 14.611 ( 0.951 0.737 -0.806) 1.449 14.790 ( 2.912 -1.700 -1.557) 3.714 14.790 ( 2.912 1.700 -1.557) 3.714 15.902 ( 3.342 -0.342 1.260) 3.588 15.902 ( 3.342 0.342 1.260) 3.588 16.863 ( -3.148 -3.166 4.249) 6.164 16.863 ( -3.148 3.166 4.249) 6.164 19.371 ( -2.534 -7.288 5.177) 9.292 19.371 ( -2.534 7.288 5.177) 9.292 19.481 ( -3.944 -2.314 -4.443) 6.375 19.481 ( -3.944 2.314 -4.443) 6.375 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 2.404 -5.561 10.679) 12.278 2.346 ( 2.404 5.561 10.679) 12.278 2.487 ( 3.338 -5.396 2.276) 6.741 2.487 ( 3.338 5.396 2.276) 6.741 2.575 ( -2.119 -7.610 -4.092) 8.897 2.575 ( -2.119 7.610 -4.092) 8.897 2.703 ( -0.296 -3.631 -9.934) 10.581 2.703 ( -0.296 3.631 -9.934) 10.581 3.340 ( 7.482 -5.552 3.458) 9.938 3.340 ( 7.482 5.552 3.458) 9.938 3.594 ( 1.500 -4.789 -4.469) 6.720 3.594 ( 1.500 4.789 -4.469) 6.720 5.445 ( 11.912 -5.730 3.757) 13.742 5.445 ( 11.912 5.730 3.757) 13.742 5.962 ( 16.367 -2.984 -4.431) 17.217 5.962 ( 16.367 2.984 -4.431) 17.217 6.372 ( -8.595 -10.702 13.038) 18.932 6.372 ( -8.595 10.702 13.038) 18.932 7.096 ( -17.086 -6.295 -2.252) 18.348 7.096 ( -17.086 6.295 -2.252) 18.348 7.360 ( -14.647 -1.261 -9.059) 17.269 7.360 ( -14.647 1.261 -9.059) 17.269 7.925 ( -8.605 -1.468 -2.806) 9.169 7.925 ( -8.605 1.468 -2.806) 9.169 8.769 ( 4.316 -4.614 9.396) 11.323 8.769 ( 4.316 4.614 9.396) 11.323 8.977 ( 5.650 -9.598 -8.518) 14.021 8.977 ( 5.650 9.598 -8.518) 14.021 9.639 ( -8.486 -2.244 1.231) 8.864 9.639 ( -8.486 2.244 1.231) 8.864 10.087 ( 10.162 -2.891 -1.624) 10.689 10.087 ( 10.162 2.891 -1.624) 10.689 10.931 ( 0.444 -3.557 3.993) 5.366 10.931 ( 0.444 3.557 3.993) 5.366 11.300 ( 9.347 -2.583 1.838) 9.870 11.300 ( 9.347 2.583 1.838) 9.870 11.883 ( 2.698 -8.091 2.133) 8.792 11.883 ( 2.698 8.091 2.133) 8.792 12.045 ( 3.672 -9.198 -4.838) 11.022 12.045 ( 3.672 9.198 -4.838) 11.022 12.648 ( -6.455 -3.194 0.663) 7.232 12.648 ( -6.455 3.194 0.663) 7.232 12.790 ( -9.288 -5.879 -5.051) 12.097 12.790 ( -9.288 5.879 -5.051) 12.097 13.728 ( 3.104 -1.166 -1.179) 3.519 13.728 ( 3.104 1.166 -1.179) 3.519 14.150 ( -3.659 -1.633 -0.811) 4.088 14.150 ( -3.659 1.633 -0.811) 4.088 14.640 ( 1.949 -0.686 0.147) 2.071 14.640 ( 1.949 0.686 0.147) 2.071 14.841 ( 1.850 -1.439 -1.872) 2.999 14.841 ( 1.850 1.439 -1.872) 2.999 15.996 ( 6.150 -0.746 1.887) 6.476 15.996 ( 6.150 0.746 1.887) 6.476 16.778 ( -5.395 -2.991 3.649) 7.167 16.778 ( -5.395 2.991 3.649) 7.167 19.297 ( -4.821 -5.195 1.394) 7.223 19.297 ( -4.821 5.195 1.394) 7.223 19.379 ( -6.078 -0.813 -2.886) 6.778 19.379 ( -6.078 0.813 -2.886) 6.778 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 1.286 -8.395 7.523) 11.346 2.378 ( 1.286 8.395 7.523) 11.346 2.488 ( -2.120 -7.954 -0.339) 8.239 2.488 ( -2.120 7.954 -0.339) 8.239 2.611 ( 4.490 -5.896 -0.659) 7.440 2.611 ( 4.490 5.896 -0.659) 7.440 2.719 ( 1.226 -5.210 -5.392) 7.597 2.719 ( 1.226 5.210 -5.392) 7.597 3.473 ( 6.017 -6.159 1.837) 8.804 3.473 ( 6.017 6.159 1.837) 8.804 3.620 ( 1.032 -4.063 -2.478) 4.870 3.620 ( 1.032 4.063 -2.478) 4.870 5.684 ( 11.603 -5.040 5.646) 13.853 5.684 ( 11.603 5.040 5.646) 13.853 6.168 ( -3.132 -4.512 7.734) 9.486 6.168 ( -3.132 4.512 7.734) 9.486 6.363 ( 14.212 -6.307 -4.972) 16.325 6.363 ( 14.212 6.307 -4.972) 16.325 6.764 ( -15.317 -4.983 -6.285) 17.290 6.764 ( -15.317 4.983 -6.285) 17.290 7.078 ( -12.156 -2.984 -9.398) 15.653 7.078 ( -12.156 2.984 -9.398) 15.653 7.687 ( -15.321 -3.377 -2.666) 15.914 7.687 ( -15.321 3.377 -2.666) 15.914 8.861 ( 4.949 -6.293 8.585) 11.739 8.861 ( 4.949 6.293 8.585) 11.739 9.040 ( 0.470 -9.980 -2.793) 10.374 9.040 ( 0.470 9.980 -2.793) 10.374 9.631 ( 6.579 -3.075 -0.735) 7.299 9.631 ( 6.579 3.075 -0.735) 7.299 10.173 ( -1.956 -0.658 -1.775) 2.722 10.173 ( -1.956 0.658 -1.775) 2.722 10.983 ( 5.588 -3.246 3.727) 7.460 10.983 ( 5.588 3.246 3.727) 7.460 11.378 ( -0.945 -1.720 3.831) 4.305 11.378 ( -0.945 1.720 3.831) 4.305 11.971 ( 6.129 -4.880 2.240) 8.149 11.971 ( 6.129 4.880 2.240) 8.149 12.137 ( 5.268 -6.266 -3.583) 8.937 12.137 ( 5.268 6.266 -3.583) 8.937 12.532 ( -5.578 -3.475 -1.735) 6.798 12.532 ( -5.578 3.475 -1.735) 6.798 12.603 ( -9.271 -5.427 -4.131) 11.510 12.603 ( -9.271 5.427 -4.131) 11.510 13.803 ( 4.413 -0.463 -1.633) 4.728 13.803 ( 4.413 0.464 -1.633) 4.728 14.074 ( -4.196 -0.914 -1.289) 4.484 14.074 ( -4.196 0.914 -1.289) 4.484 14.689 ( 3.109 -0.527 0.716) 3.234 14.689 ( 3.109 0.527 0.716) 3.234 14.853 ( -0.656 -1.106 -1.276) 1.811 14.853 ( -0.656 1.106 -1.276) 1.811 16.139 ( 8.401 -1.918 2.474) 8.965 16.139 ( 8.401 1.918 2.474) 8.965 16.655 ( -7.156 -3.237 2.913) 8.377 16.655 ( -7.156 3.237 2.913) 8.377 19.199 ( -4.609 -2.330 -1.670) 5.427 19.199 ( -4.609 2.330 -1.670) 5.427 19.258 ( -5.953 -1.144 -2.421) 6.528 19.258 ( -5.953 1.144 -2.421) 6.528 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 1.855 -7.904 4.173) 9.129 2.409 ( 1.855 7.904 4.173) 9.128 2.447 ( -2.026 -7.101 1.539) 7.543 2.447 ( -2.026 7.101 1.539) 7.543 2.690 ( 3.186 -4.820 -0.947) 5.855 2.690 ( 3.186 4.820 -0.947) 5.855 2.728 ( -0.632 -5.206 -2.365) 5.753 2.728 ( -0.632 5.206 -2.365) 5.753 3.573 ( 4.063 -7.670 1.395) 8.791 3.573 ( 4.063 7.670 1.395) 8.791 3.624 ( -1.045 -7.372 -0.031) 7.446 3.624 ( -1.045 7.372 -0.031) 7.446 5.881 ( 9.163 -6.160 4.494) 11.921 5.881 ( 9.163 6.160 4.494) 11.921 6.058 ( -7.980 -7.157 -2.450) 10.996 6.058 ( -7.980 7.157 -2.450) 10.996 6.523 ( 1.597 -5.791 -1.162) 6.118 6.523 ( 1.597 5.791 -1.162) 6.118 6.604 ( -3.769 -4.384 -5.719) 8.133 6.604 ( -3.769 4.385 -5.719) 8.133 7.029 ( 10.759 -5.681 -6.671) 13.875 7.029 ( 10.759 5.681 -6.671) 13.875 7.351 ( -18.355 -5.766 -3.376) 19.533 7.351 ( -18.355 5.766 -3.376) 19.533 8.952 ( 4.165 -10.448 5.448) 12.498 8.952 ( 4.165 10.448 5.448) 12.498 9.017 ( -2.402 -11.782 1.342) 12.099 9.017 ( -2.402 11.782 1.342) 12.099 9.822 ( 11.467 -4.445 -1.535) 12.394 9.822 ( 11.467 4.445 -1.535) 12.394 10.041 ( -10.157 -3.241 -1.720) 10.799 10.041 ( -10.157 3.241 -1.720) 10.799 11.134 ( 8.833 -2.974 3.681) 10.021 11.134 ( 8.833 2.974 3.681) 10.021 11.294 ( -6.906 -2.183 4.092) 8.319 11.294 ( -6.906 2.183 4.092) 8.319 12.108 ( 7.356 -2.462 1.421) 7.886 12.108 ( 7.356 2.462 1.421) 7.886 12.205 ( -0.315 -1.797 -1.023) 2.092 12.205 ( -0.315 1.797 -1.023) 2.092 12.432 ( -2.902 -4.843 -2.346) 6.114 12.432 ( -2.902 4.843 -2.346) 6.114 12.464 ( -4.704 -7.103 -4.937) 9.846 12.464 ( -4.704 7.103 -4.937) 9.846 13.894 ( 4.774 -0.024 -1.785) 5.097 13.894 ( 4.774 0.024 -1.785) 5.097 13.987 ( -4.660 -0.363 -1.674) 4.965 13.987 ( -4.660 0.363 -1.674) 4.965 14.756 ( 3.550 -0.473 0.625) 3.635 14.756 ( 3.550 0.473 0.625) 3.635 14.819 ( -2.658 -0.698 -0.200) 2.756 14.819 ( -2.658 0.698 -0.200) 2.756 16.316 ( 9.521 -3.003 2.676) 10.335 16.316 ( 9.521 3.003 2.676) 10.335 16.498 ( -8.846 -3.475 2.623) 9.859 16.498 ( -8.846 3.475 2.623) 9.859 19.140 ( -1.081 -0.791 -2.918) 3.211 19.140 ( -1.081 0.791 -2.918) 3.211 19.163 ( -3.346 -1.082 -3.007) 4.628 19.163 ( -3.346 1.082 -3.007) 4.628 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 1117.724 1205.902 1841.459 0.000 0.000 0.000 3/29160 20.0 173.527 157.208 199.382 0.000 0.000 0.000 3/29160 30.0 74.389 68.408 78.637 0.000 0.000 0.000 3/29160 40.0 43.072 39.436 43.852 0.000 0.000 0.000 3/29160 50.0 29.034 26.432 28.944 0.000 0.000 0.000 3/29160 60.0 21.434 19.448 21.123 0.000 0.000 0.000 3/29160 70.0 16.799 15.221 16.460 0.000 0.000 0.000 3/29160 80.0 13.730 12.439 13.423 0.000 0.000 0.000 3/29160 90.0 11.571 10.493 11.310 0.000 0.000 0.000 3/29160 100.0 9.980 9.067 9.766 0.000 0.000 0.000 3/29160 110.0 8.766 7.982 8.593 0.000 0.000 0.000 3/29160 120.0 7.812 7.133 7.674 0.000 0.000 0.000 3/29160 130.0 7.045 6.451 6.936 0.000 0.000 0.000 3/29160 140.0 6.416 5.892 6.331 0.000 0.000 0.000 3/29160 150.0 5.891 5.427 5.826 0.000 0.000 0.000 3/29160 160.0 5.447 5.033 5.398 0.000 0.000 0.000 3/29160 170.0 5.066 4.695 5.032 0.000 0.000 0.000 3/29160 180.0 4.737 4.402 4.714 0.000 0.000 0.000 3/29160 190.0 4.449 4.145 4.436 0.000 0.000 0.000 3/29160 200.0 4.195 3.918 4.190 0.000 0.000 0.000 3/29160 210.0 3.970 3.717 3.971 0.000 0.000 0.000 3/29160 220.0 3.768 3.536 3.776 0.000 0.000 0.000 3/29160 230.0 3.587 3.373 3.599 0.000 0.000 0.000 3/29160 240.0 3.423 3.225 3.439 0.000 0.000 0.000 3/29160 250.0 3.274 3.090 3.293 0.000 0.000 0.000 3/29160 260.0 3.137 2.966 3.160 0.000 0.000 0.000 3/29160 270.0 3.012 2.852 3.037 0.000 0.000 0.000 3/29160 280.0 2.897 2.747 2.924 0.000 0.000 0.000 3/29160 290.0 2.791 2.650 2.819 0.000 0.000 0.000 3/29160 300.0 2.692 2.560 2.722 0.000 0.000 0.000 3/29160 310.0 2.600 2.476 2.631 0.000 0.000 0.000 3/29160 320.0 2.515 2.397 2.547 0.000 0.000 0.000 3/29160 330.0 2.435 2.323 2.468 0.000 0.000 0.000 3/29160 340.0 2.360 2.254 2.393 0.000 0.000 0.000 3/29160 350.0 2.290 2.189 2.324 0.000 0.000 0.000 3/29160 360.0 2.224 2.128 2.258 0.000 0.000 0.000 3/29160 370.0 2.161 2.070 2.196 0.000 0.000 0.000 3/29160 380.0 2.103 2.015 2.137 0.000 0.000 0.000 3/29160 390.0 2.047 1.963 2.082 0.000 0.000 0.000 3/29160 400.0 1.994 1.914 2.029 0.000 0.000 0.000 3/29160 410.0 1.944 1.867 1.979 0.000 0.000 0.000 3/29160 420.0 1.897 1.823 1.931 0.000 0.000 0.000 3/29160 430.0 1.851 1.780 1.886 0.000 0.000 0.000 3/29160 440.0 1.808 1.740 1.843 0.000 0.000 0.000 3/29160 450.0 1.767 1.701 1.801 0.000 0.000 0.000 3/29160 460.0 1.728 1.664 1.762 0.000 0.000 0.000 3/29160 470.0 1.690 1.629 1.724 0.000 0.000 0.000 3/29160 480.0 1.654 1.595 1.688 0.000 0.000 0.000 3/29160 490.0 1.620 1.563 1.653 0.000 0.000 0.000 3/29160 500.0 1.587 1.531 1.620 0.000 0.000 0.000 3/29160 510.0 1.555 1.501 1.588 0.000 0.000 0.000 3/29160 520.0 1.525 1.473 1.558 0.000 0.000 0.000 3/29160 530.0 1.496 1.445 1.528 0.000 0.000 0.000 3/29160 540.0 1.468 1.418 1.500 0.000 0.000 0.000 3/29160 550.0 1.441 1.393 1.472 0.000 0.000 0.000 3/29160 560.0 1.415 1.368 1.446 0.000 0.000 0.000 3/29160 570.0 1.389 1.344 1.421 0.000 0.000 0.000 3/29160 580.0 1.365 1.321 1.396 0.000 0.000 0.000 3/29160 590.0 1.342 1.298 1.372 0.000 0.000 0.000 3/29160 600.0 1.319 1.277 1.349 0.000 0.000 0.000 3/29160 610.0 1.297 1.256 1.327 0.000 0.000 0.000 3/29160 620.0 1.276 1.236 1.306 0.000 0.000 0.000 3/29160 630.0 1.256 1.216 1.285 0.000 0.000 0.000 3/29160 640.0 1.236 1.197 1.265 0.000 0.000 0.000 3/29160 650.0 1.217 1.179 1.245 0.000 0.000 0.000 3/29160 660.0 1.198 1.161 1.227 0.000 0.000 0.000 3/29160 670.0 1.180 1.144 1.208 0.000 0.000 0.000 3/29160 680.0 1.162 1.127 1.190 0.000 0.000 0.000 3/29160 690.0 1.145 1.111 1.173 0.000 0.000 0.000 3/29160 700.0 1.129 1.095 1.156 0.000 0.000 0.000 3/29160 710.0 1.113 1.080 1.140 0.000 0.000 0.000 3/29160 720.0 1.097 1.065 1.124 0.000 0.000 0.000 3/29160 730.0 1.082 1.050 1.109 0.000 0.000 0.000 3/29160 740.0 1.068 1.036 1.094 0.000 0.000 0.000 3/29160 750.0 1.053 1.022 1.079 0.000 0.000 0.000 3/29160 760.0 1.039 1.009 1.065 0.000 0.000 0.000 3/29160 770.0 1.026 0.996 1.051 0.000 0.000 0.000 3/29160 780.0 1.012 0.983 1.038 0.000 0.000 0.000 3/29160 790.0 1.000 0.971 1.025 0.000 0.000 0.000 3/29160 800.0 0.987 0.959 1.012 0.000 0.000 0.000 3/29160 810.0 0.975 0.947 0.999 0.000 0.000 0.000 3/29160 820.0 0.963 0.935 0.987 0.000 0.000 0.000 3/29160 830.0 0.951 0.924 0.975 0.000 0.000 0.000 3/29160 840.0 0.940 0.913 0.964 0.000 0.000 0.000 3/29160 850.0 0.929 0.902 0.952 0.000 0.000 0.000 3/29160 860.0 0.918 0.892 0.941 0.000 0.000 0.000 3/29160 870.0 0.907 0.882 0.930 0.000 0.000 0.000 3/29160 880.0 0.897 0.872 0.920 0.000 0.000 0.000 3/29160 890.0 0.887 0.862 0.910 0.000 0.000 0.000 3/29160 900.0 0.877 0.852 0.899 0.000 0.000 0.000 3/29160 910.0 0.867 0.843 0.890 0.000 0.000 0.000 3/29160 920.0 0.858 0.834 0.880 0.000 0.000 0.000 3/29160 930.0 0.848 0.825 0.870 0.000 0.000 0.000 3/29160 940.0 0.839 0.816 0.861 0.000 0.000 0.000 3/29160 950.0 0.830 0.808 0.852 0.000 0.000 0.000 3/29160 960.0 0.822 0.799 0.843 0.000 0.000 0.000 3/29160 970.0 0.813 0.791 0.835 0.000 0.000 0.000 3/29160 980.0 0.805 0.783 0.826 0.000 0.000 0.000 3/29160 990.0 0.797 0.775 0.818 0.000 0.000 0.000 3/29160 1000.0 0.789 0.767 0.809 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:03:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|