----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:53:34]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.382584499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.315734999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.928512909999998 Atomic positions (fractional): *1 C 0.41835192201689 0.75000000000000 0.25588669652301 12.011 2 C 0.58164807798311 0.25000000000000 0.74411330347699 12.011 3 C 0.91835192201689 0.75000000000000 0.24411330347699 12.011 4 C 0.08164807798311 0.25000000000000 0.75588669652301 12.011 *5 O 0.91796805560067 0.96142954017499 0.31686488317953 15.999 6 O 0.08203194439933 0.46142954017499 0.68313511682047 15.999 7 O 0.41796805560067 0.53857045982501 0.18313511682047 15.999 8 O 0.58203194439933 0.03857045982501 0.81686488317953 15.999 *9 O 0.08902248794265 0.25000000000000 0.90112697021397 15.999 10 O 0.91097751205735 0.75000000000000 0.09887302978604 15.999 11 O 0.58902248794265 0.25000000000000 0.59887302978603 15.999 12 O 0.41097751205735 0.75000000000000 0.40112697021396 15.999 13 O 0.08203194439933 0.03857045982501 0.68313511682047 15.999 14 O 0.91796805560067 0.53857045982501 0.31686488317953 15.999 15 O 0.58203194439933 0.46142954017499 0.81686488317953 15.999 16 O 0.41796805560067 0.96142954017499 0.18313511682047 15.999 *17 Ba 0.25407985490868 0.75000000000000 0.91634086492750 137.327 18 Ba 0.74592014509132 0.25000000000000 0.08365913507250 137.327 19 Ba 0.75407985490868 0.75000000000000 0.58365913507250 137.327 20 Ba 0.24592014509132 0.25000000000000 0.41634086492750 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.382584499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.315734999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.928512909999998 Atomic positions (fractional): *1 C 0.41835192201689 0.75000000000000 0.25588669652301 12.011 > 1 2 C 0.58164807798311 0.25000000000000 0.74411330347699 12.011 > 2 3 C 0.91835192201689 0.75000000000000 0.24411330347699 12.011 > 3 4 C 0.08164807798311 0.25000000000000 0.75588669652301 12.011 > 4 *5 O 0.91796805560067 0.96142954017499 0.31686488317953 15.999 > 5 6 O 0.08203194439933 0.46142954017499 0.68313511682047 15.999 > 6 7 O 0.41796805560067 0.53857045982501 0.18313511682047 15.999 > 7 8 O 0.58203194439933 0.03857045982501 0.81686488317953 15.999 > 8 *9 O 0.08902248794265 0.25000000000000 0.90112697021397 15.999 > 9 10 O 0.91097751205735 0.75000000000000 0.09887302978604 15.999 > 10 11 O 0.58902248794265 0.25000000000000 0.59887302978603 15.999 > 11 12 O 0.41097751205735 0.75000000000000 0.40112697021396 15.999 > 12 13 O 0.08203194439933 0.03857045982501 0.68313511682047 15.999 > 13 14 O 0.91796805560067 0.53857045982501 0.31686488317953 15.999 > 14 15 O 0.58203194439933 0.46142954017499 0.81686488317953 15.999 > 15 16 O 0.41796805560067 0.96142954017499 0.18313511682047 15.999 > 16 *17 Ba 0.25407985490868 0.75000000000000 0.91634086492750 137.327 > 17 18 Ba 0.74592014509132 0.25000000000000 0.08365913507250 137.327 > 18 19 Ba 0.75407985490868 0.75000000000000 0.58365913507250 137.327 > 19 20 Ba 0.24592014509132 0.25000000000000 0.41634086492750 137.327 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.765168999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.631469999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.928512909999998 Atomic positions (fractional): *1 C 0.20917596100844 0.37500000000000 0.25588669652301 12.011 > 1 2 C 0.70917596100844 0.37500000000000 0.25588669652301 12.011 > 1 3 C 0.20917596100844 0.87500000000000 0.25588669652301 12.011 > 1 4 C 0.70917596100844 0.87500000000000 0.25588669652301 12.011 > 1 5 C 0.29082403899156 0.12500000000000 0.74411330347699 12.011 > 2 6 C 0.79082403899156 0.12500000000000 0.74411330347699 12.011 > 2 7 C 0.29082403899156 0.62500000000000 0.74411330347699 12.011 > 2 8 C 0.79082403899156 0.62500000000000 0.74411330347699 12.011 > 2 9 C 0.45917596100844 0.37500000000000 0.24411330347699 12.011 > 3 10 C 0.95917596100844 0.37500000000000 0.24411330347699 12.011 > 3 11 C 0.45917596100844 0.87500000000000 0.24411330347699 12.011 > 3 12 C 0.95917596100844 0.87500000000000 0.24411330347699 12.011 > 3 13 C 0.04082403899155 0.12500000000000 0.75588669652301 12.011 > 4 14 C 0.54082403899155 0.12500000000000 0.75588669652301 12.011 > 4 15 C 0.04082403899155 0.62500000000000 0.75588669652301 12.011 > 4 16 C 0.54082403899155 0.62500000000000 0.75588669652301 12.011 > 4 *17 O 0.45898402780033 0.48071477008749 0.31686488317953 15.999 > 5 18 O 0.95898402780033 0.48071477008749 0.31686488317953 15.999 > 5 19 O 0.45898402780033 0.98071477008749 0.31686488317953 15.999 > 5 20 O 0.95898402780033 0.98071477008749 0.31686488317953 15.999 > 5 21 O 0.04101597219967 0.23071477008749 0.68313511682047 15.999 > 6 22 O 0.54101597219967 0.23071477008749 0.68313511682047 15.999 > 6 23 O 0.04101597219967 0.73071477008749 0.68313511682047 15.999 > 6 24 O 0.54101597219967 0.73071477008749 0.68313511682047 15.999 > 6 25 O 0.20898402780033 0.26928522991251 0.18313511682047 15.999 > 7 26 O 0.70898402780033 0.26928522991251 0.18313511682047 15.999 > 7 27 O 0.20898402780033 0.76928522991251 0.18313511682047 15.999 > 7 28 O 0.70898402780033 0.76928522991251 0.18313511682047 15.999 > 7 29 O 0.29101597219967 0.01928522991251 0.81686488317953 15.999 > 8 30 O 0.79101597219967 0.01928522991251 0.81686488317953 15.999 > 8 31 O 0.29101597219967 0.51928522991251 0.81686488317953 15.999 > 8 32 O 0.79101597219967 0.51928522991251 0.81686488317953 15.999 > 8 *33 O 0.04451124397133 0.12500000000000 0.90112697021397 15.999 > 9 34 O 0.54451124397133 0.12500000000000 0.90112697021397 15.999 > 9 35 O 0.04451124397133 0.62500000000000 0.90112697021397 15.999 > 9 36 O 0.54451124397133 0.62500000000000 0.90112697021397 15.999 > 9 37 O 0.45548875602867 0.37500000000000 0.09887302978604 15.999 > 10 38 O 0.95548875602867 0.37500000000000 0.09887302978604 15.999 > 10 39 O 0.45548875602867 0.87500000000000 0.09887302978604 15.999 > 10 40 O 0.95548875602867 0.87500000000000 0.09887302978604 15.999 > 10 41 O 0.29451124397133 0.12500000000000 0.59887302978603 15.999 > 11 42 O 0.79451124397133 0.12500000000000 0.59887302978603 15.999 > 11 43 O 0.29451124397133 0.62500000000000 0.59887302978603 15.999 > 11 44 O 0.79451124397133 0.62500000000000 0.59887302978603 15.999 > 11 45 O 0.20548875602867 0.37500000000000 0.40112697021396 15.999 > 12 46 O 0.70548875602867 0.37500000000000 0.40112697021396 15.999 > 12 47 O 0.20548875602867 0.87500000000000 0.40112697021396 15.999 > 12 48 O 0.70548875602867 0.87500000000000 0.40112697021396 15.999 > 12 49 O 0.04101597219967 0.01928522991251 0.68313511682047 15.999 > 13 50 O 0.54101597219967 0.01928522991251 0.68313511682047 15.999 > 13 51 O 0.04101597219967 0.51928522991251 0.68313511682047 15.999 > 13 52 O 0.54101597219967 0.51928522991251 0.68313511682047 15.999 > 13 53 O 0.45898402780033 0.26928522991251 0.31686488317953 15.999 > 14 54 O 0.95898402780033 0.26928522991251 0.31686488317953 15.999 > 14 55 O 0.45898402780033 0.76928522991251 0.31686488317953 15.999 > 14 56 O 0.95898402780033 0.76928522991251 0.31686488317953 15.999 > 14 57 O 0.29101597219967 0.23071477008749 0.81686488317953 15.999 > 15 58 O 0.79101597219967 0.23071477008749 0.81686488317953 15.999 > 15 59 O 0.29101597219967 0.73071477008749 0.81686488317953 15.999 > 15 60 O 0.79101597219967 0.73071477008749 0.81686488317953 15.999 > 15 61 O 0.20898402780033 0.48071477008749 0.18313511682047 15.999 > 16 62 O 0.70898402780033 0.48071477008749 0.18313511682047 15.999 > 16 63 O 0.20898402780033 0.98071477008749 0.18313511682047 15.999 > 16 64 O 0.70898402780033 0.98071477008749 0.18313511682047 15.999 > 16 *65 Ba 0.12703992745434 0.37500000000000 0.91634086492750 137.327 > 17 66 Ba 0.62703992745434 0.37500000000000 0.91634086492750 137.327 > 17 67 Ba 0.12703992745434 0.87500000000000 0.91634086492750 137.327 > 17 68 Ba 0.62703992745434 0.87500000000000 0.91634086492750 137.327 > 17 69 Ba 0.37296007254566 0.12500000000000 0.08365913507250 137.327 > 18 70 Ba 0.87296007254566 0.12500000000000 0.08365913507250 137.327 > 18 71 Ba 0.37296007254566 0.62500000000000 0.08365913507250 137.327 > 18 72 Ba 0.87296007254566 0.62500000000000 0.08365913507250 137.327 > 18 73 Ba 0.37703992745434 0.37500000000000 0.58365913507250 137.327 > 19 74 Ba 0.87703992745434 0.37500000000000 0.58365913507250 137.327 > 19 75 Ba 0.37703992745434 0.87500000000000 0.58365913507250 137.327 > 19 76 Ba 0.87703992745434 0.87500000000000 0.58365913507250 137.327 > 19 77 Ba 0.12296007254566 0.12500000000000 0.41634086492750 137.327 > 20 78 Ba 0.62296007254566 0.12500000000000 0.41634086492750 137.327 > 20 79 Ba 0.12296007254566 0.62500000000000 0.41634086492750 137.327 > 20 80 Ba 0.62296007254566 0.62500000000000 0.41634086492750 137.327 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4887644 0.0000000 0.0000000 0.0000000 3.0600105 0.0000000 0.0000000 0.0000000 3.0387080 -------------------------- Born effective charges -------------------------- 1 C 0.1866109 0.0000000 -0.0158369 0.0000000 2.8996259 0.0000000 -0.0486222 0.0000000 2.9008584 2 C 0.1866109 0.0000000 -0.0158369 0.0000000 2.8996259 0.0000000 -0.0486222 0.0000000 2.9008584 3 C 0.1866109 0.0000000 0.0158369 0.0000000 2.8996259 0.0000000 0.0486222 0.0000000 2.9008584 4 C 0.1866109 0.0000000 0.0158369 0.0000000 2.8996259 0.0000000 0.0486222 0.0000000 2.9008584 5 O -0.9029576 -0.1035662 -0.0689987 -0.1753538 -2.1594856 -0.4266279 -0.1090797 -0.4420545 -1.6249972 6 O -0.9029576 0.1035662 -0.0689987 0.1753538 -2.1594856 0.4266279 -0.1090797 0.4420545 -1.6249972 7 O -0.9029576 0.1035662 0.0689987 0.1753538 -2.1594856 -0.4266279 0.1090797 -0.4420545 -1.6249972 8 O -0.9029576 -0.1035662 0.0689987 -0.1753538 -2.1594856 0.4266279 0.1090797 0.4420545 -1.6249972 9 O -0.9077974 0.0000000 0.1262907 0.0000000 -1.3472179 0.0000000 0.1876094 0.0000000 -2.3810617 10 O -0.9077974 0.0000000 0.1262907 0.0000000 -1.3472179 0.0000000 0.1876094 0.0000000 -2.3810617 11 O -0.9077974 0.0000000 -0.1262907 0.0000000 -1.3472179 0.0000000 -0.1876094 0.0000000 -2.3810617 12 O -0.9077974 0.0000000 -0.1262907 0.0000000 -1.3472179 0.0000000 -0.1876094 0.0000000 -2.3810617 13 O -0.9029576 -0.1035662 -0.0689987 -0.1753538 -2.1594856 -0.4266279 -0.1090797 -0.4420545 -1.6249972 14 O -0.9029576 0.1035662 -0.0689987 0.1753538 -2.1594856 0.4266279 -0.1090797 0.4420545 -1.6249972 15 O -0.9029576 0.1035662 0.0689987 0.1753538 -2.1594856 -0.4266279 0.1090797 -0.4420545 -1.6249972 16 O -0.9029576 -0.1035662 0.0689987 -0.1753538 -2.1594856 0.4266279 0.1090797 0.4420545 -1.6249972 17 Ba 2.5271018 0.0000000 0.0910564 0.0000000 2.7665632 0.0000000 -0.0672180 0.0000000 2.7301977 18 Ba 2.5271018 0.0000000 0.0910564 0.0000000 2.7665632 0.0000000 -0.0672180 0.0000000 2.7301977 19 Ba 2.5271018 0.0000000 -0.0910564 0.0000000 2.7665632 0.0000000 0.0672180 0.0000000 2.7301977 20 Ba 2.5271018 0.0000000 -0.0910564 0.0000000 2.7665632 0.0000000 0.0672180 0.0000000 2.7301977 ---------------------------------------------------------------------------- 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), 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: 0.732 Solver_block: 300 / 320 - Time: 0.728 Solver_block: 320 / 320 - Time: 0.190 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.385 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:53:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:53:47]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.382584499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.315734999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.928512909999998 Atomic positions (fractional): 1 C 0.41835192201689 0.75000000000000 0.25588669652301 12.011 2 C 0.58164807798311 0.25000000000000 0.74411330347699 12.011 3 C 0.91835192201689 0.75000000000000 0.24411330347699 12.011 4 C 0.08164807798311 0.25000000000000 0.75588669652301 12.011 5 O 0.91796805560067 0.96142954017499 0.31686488317953 15.999 6 O 0.08203194439933 0.46142954017499 0.68313511682047 15.999 7 O 0.41796805560067 0.53857045982501 0.18313511682047 15.999 8 O 0.58203194439933 0.03857045982501 0.81686488317953 15.999 9 O 0.08902248794265 0.25000000000000 0.90112697021397 15.999 10 O 0.91097751205735 0.75000000000000 0.09887302978604 15.999 11 O 0.58902248794265 0.25000000000000 0.59887302978603 15.999 12 O 0.41097751205735 0.75000000000000 0.40112697021396 15.999 13 O 0.08203194439933 0.03857045982501 0.68313511682047 15.999 14 O 0.91796805560067 0.53857045982501 0.31686488317953 15.999 15 O 0.58203194439933 0.46142954017499 0.81686488317953 15.999 16 O 0.41796805560067 0.96142954017499 0.18313511682047 15.999 17 Ba 0.25407985490868 0.75000000000000 0.91634086492750 137.327 18 Ba 0.74592014509132 0.25000000000000 0.08365913507250 137.327 19 Ba 0.75407985490868 0.75000000000000 0.58365913507250 137.327 20 Ba 0.24592014509132 0.25000000000000 0.41634086492750 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.765168999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.631469999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.928512909999998 Atomic positions (fractional): 1 C 0.20917596100844 0.37500000000000 0.25588669652301 12.011 > 1 2 C 0.70917596100844 0.37500000000000 0.25588669652301 12.011 > 1 3 C 0.20917596100844 0.87500000000000 0.25588669652301 12.011 > 1 4 C 0.70917596100844 0.87500000000000 0.25588669652301 12.011 > 1 5 C 0.29082403899156 0.12500000000000 0.74411330347699 12.011 > 5 6 C 0.79082403899156 0.12500000000000 0.74411330347699 12.011 > 5 7 C 0.29082403899156 0.62500000000000 0.74411330347699 12.011 > 5 8 C 0.79082403899156 0.62500000000000 0.74411330347699 12.011 > 5 9 C 0.45917596100844 0.37500000000000 0.24411330347699 12.011 > 9 10 C 0.95917596100844 0.37500000000000 0.24411330347699 12.011 > 9 11 C 0.45917596100844 0.87500000000000 0.24411330347699 12.011 > 9 12 C 0.95917596100844 0.87500000000000 0.24411330347699 12.011 > 9 13 C 0.04082403899155 0.12500000000000 0.75588669652301 12.011 > 13 14 C 0.54082403899155 0.12500000000000 0.75588669652301 12.011 > 13 15 C 0.04082403899155 0.62500000000000 0.75588669652301 12.011 > 13 16 C 0.54082403899155 0.62500000000000 0.75588669652301 12.011 > 13 17 O 0.45898402780033 0.48071477008749 0.31686488317953 15.999 > 17 18 O 0.95898402780033 0.48071477008749 0.31686488317953 15.999 > 17 19 O 0.45898402780033 0.98071477008749 0.31686488317953 15.999 > 17 20 O 0.95898402780033 0.98071477008749 0.31686488317953 15.999 > 17 21 O 0.04101597219967 0.23071477008749 0.68313511682047 15.999 > 21 22 O 0.54101597219967 0.23071477008749 0.68313511682047 15.999 > 21 23 O 0.04101597219967 0.73071477008749 0.68313511682047 15.999 > 21 24 O 0.54101597219967 0.73071477008749 0.68313511682047 15.999 > 21 25 O 0.20898402780033 0.26928522991251 0.18313511682047 15.999 > 25 26 O 0.70898402780033 0.26928522991251 0.18313511682047 15.999 > 25 27 O 0.20898402780033 0.76928522991251 0.18313511682047 15.999 > 25 28 O 0.70898402780033 0.76928522991251 0.18313511682047 15.999 > 25 29 O 0.29101597219967 0.01928522991251 0.81686488317953 15.999 > 29 30 O 0.79101597219967 0.01928522991251 0.81686488317953 15.999 > 29 31 O 0.29101597219967 0.51928522991251 0.81686488317953 15.999 > 29 32 O 0.79101597219967 0.51928522991251 0.81686488317953 15.999 > 29 33 O 0.04451124397133 0.12500000000000 0.90112697021397 15.999 > 33 34 O 0.54451124397133 0.12500000000000 0.90112697021397 15.999 > 33 35 O 0.04451124397133 0.62500000000000 0.90112697021397 15.999 > 33 36 O 0.54451124397133 0.62500000000000 0.90112697021397 15.999 > 33 37 O 0.45548875602867 0.37500000000000 0.09887302978604 15.999 > 37 38 O 0.95548875602867 0.37500000000000 0.09887302978604 15.999 > 37 39 O 0.45548875602867 0.87500000000000 0.09887302978604 15.999 > 37 40 O 0.95548875602867 0.87500000000000 0.09887302978604 15.999 > 37 41 O 0.29451124397133 0.12500000000000 0.59887302978603 15.999 > 41 42 O 0.79451124397133 0.12500000000000 0.59887302978603 15.999 > 41 43 O 0.29451124397133 0.62500000000000 0.59887302978603 15.999 > 41 44 O 0.79451124397133 0.62500000000000 0.59887302978603 15.999 > 41 45 O 0.20548875602867 0.37500000000000 0.40112697021396 15.999 > 45 46 O 0.70548875602867 0.37500000000000 0.40112697021396 15.999 > 45 47 O 0.20548875602867 0.87500000000000 0.40112697021396 15.999 > 45 48 O 0.70548875602867 0.87500000000000 0.40112697021396 15.999 > 45 49 O 0.04101597219967 0.01928522991251 0.68313511682047 15.999 > 49 50 O 0.54101597219967 0.01928522991251 0.68313511682047 15.999 > 49 51 O 0.04101597219967 0.51928522991251 0.68313511682047 15.999 > 49 52 O 0.54101597219967 0.51928522991251 0.68313511682047 15.999 > 49 53 O 0.45898402780033 0.26928522991251 0.31686488317953 15.999 > 53 54 O 0.95898402780033 0.26928522991251 0.31686488317953 15.999 > 53 55 O 0.45898402780033 0.76928522991251 0.31686488317953 15.999 > 53 56 O 0.95898402780033 0.76928522991251 0.31686488317953 15.999 > 53 57 O 0.29101597219967 0.23071477008749 0.81686488317953 15.999 > 57 58 O 0.79101597219967 0.23071477008749 0.81686488317953 15.999 > 57 59 O 0.29101597219967 0.73071477008749 0.81686488317953 15.999 > 57 60 O 0.79101597219967 0.73071477008749 0.81686488317953 15.999 > 57 61 O 0.20898402780033 0.48071477008749 0.18313511682047 15.999 > 61 62 O 0.70898402780033 0.48071477008749 0.18313511682047 15.999 > 61 63 O 0.20898402780033 0.98071477008749 0.18313511682047 15.999 > 61 64 O 0.70898402780033 0.98071477008749 0.18313511682047 15.999 > 61 65 Ba 0.12703992745434 0.37500000000000 0.91634086492750 137.327 > 65 66 Ba 0.62703992745434 0.37500000000000 0.91634086492750 137.327 > 65 67 Ba 0.12703992745434 0.87500000000000 0.91634086492750 137.327 > 65 68 Ba 0.62703992745434 0.87500000000000 0.91634086492750 137.327 > 65 69 Ba 0.37296007254566 0.12500000000000 0.08365913507250 137.327 > 69 70 Ba 0.87296007254566 0.12500000000000 0.08365913507250 137.327 > 69 71 Ba 0.37296007254566 0.62500000000000 0.08365913507250 137.327 > 69 72 Ba 0.87296007254566 0.62500000000000 0.08365913507250 137.327 > 69 73 Ba 0.37703992745434 0.37500000000000 0.58365913507250 137.327 > 73 74 Ba 0.87703992745434 0.37500000000000 0.58365913507250 137.327 > 73 75 Ba 0.37703992745434 0.87500000000000 0.58365913507250 137.327 > 73 76 Ba 0.87703992745434 0.87500000000000 0.58365913507250 137.327 > 73 77 Ba 0.12296007254566 0.12500000000000 0.41634086492750 137.327 > 77 78 Ba 0.62296007254566 0.12500000000000 0.41634086492750 137.327 > 77 79 Ba 0.12296007254566 0.62500000000000 0.41634086492750 137.327 > 77 80 Ba 0.62296007254566 0.62500000000000 0.41634086492750 137.327 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4887644 0.0000000 0.0000000 0.0000000 3.0600105 0.0000000 0.0000000 0.0000000 3.0387080 -------------------------- Born effective charges -------------------------- 1 C 0.1866109 0.0000000 -0.0158369 0.0000000 2.8996259 0.0000000 -0.0486222 0.0000000 2.9008584 2 C 0.1866109 0.0000000 -0.0158369 0.0000000 2.8996259 0.0000000 -0.0486222 0.0000000 2.9008584 3 C 0.1866109 0.0000000 0.0158369 0.0000000 2.8996259 0.0000000 0.0486222 0.0000000 2.9008584 4 C 0.1866109 0.0000000 0.0158369 0.0000000 2.8996259 0.0000000 0.0486222 0.0000000 2.9008584 5 O -0.9029576 -0.1035662 -0.0689987 -0.1753538 -2.1594856 -0.4266279 -0.1090797 -0.4420545 -1.6249972 6 O -0.9029576 0.1035662 -0.0689987 0.1753538 -2.1594856 0.4266279 -0.1090797 0.4420545 -1.6249972 7 O -0.9029576 0.1035662 0.0689987 0.1753538 -2.1594856 -0.4266279 0.1090797 -0.4420545 -1.6249972 8 O -0.9029576 -0.1035662 0.0689987 -0.1753538 -2.1594856 0.4266279 0.1090797 0.4420545 -1.6249972 9 O -0.9077974 0.0000000 0.1262907 0.0000000 -1.3472179 0.0000000 0.1876094 0.0000000 -2.3810617 10 O -0.9077974 0.0000000 0.1262907 0.0000000 -1.3472179 0.0000000 0.1876094 0.0000000 -2.3810617 11 O -0.9077974 0.0000000 -0.1262907 0.0000000 -1.3472179 0.0000000 -0.1876094 0.0000000 -2.3810617 12 O -0.9077974 0.0000000 -0.1262907 0.0000000 -1.3472179 0.0000000 -0.1876094 0.0000000 -2.3810617 13 O -0.9029576 -0.1035662 -0.0689987 -0.1753538 -2.1594856 -0.4266279 -0.1090797 -0.4420545 -1.6249972 14 O -0.9029576 0.1035662 -0.0689987 0.1753538 -2.1594856 0.4266279 -0.1090797 0.4420545 -1.6249972 15 O -0.9029576 0.1035662 0.0689987 0.1753538 -2.1594856 -0.4266279 0.1090797 -0.4420545 -1.6249972 16 O -0.9029576 -0.1035662 0.0689987 -0.1753538 -2.1594856 0.4266279 0.1090797 0.4420545 -1.6249972 17 Ba 2.5271018 0.0000000 0.0910564 0.0000000 2.7665632 0.0000000 -0.0672180 0.0000000 2.7301977 18 Ba 2.5271018 0.0000000 0.0910564 0.0000000 2.7665632 0.0000000 -0.0672180 0.0000000 2.7301977 19 Ba 2.5271018 0.0000000 -0.0910564 0.0000000 2.7665632 0.0000000 0.0672180 0.0000000 2.7301977 20 Ba 2.5271018 0.0000000 -0.0910564 0.0000000 2.7665632 0.0000000 0.0672180 0.0000000 2.7301977 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000032 (yzy) 0.00000032 (yzy) 0.00000032 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:53:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:53:56]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.382584499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.315734999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.928512909999998 Atomic positions (fractional): 1 C 0.41835192201689 0.75000000000000 0.25588669652301 12.011 2 C 0.58164807798311 0.25000000000000 0.74411330347699 12.011 3 C 0.91835192201689 0.75000000000000 0.24411330347699 12.011 4 C 0.08164807798311 0.25000000000000 0.75588669652301 12.011 5 O 0.91796805560067 0.96142954017499 0.31686488317953 15.999 6 O 0.08203194439933 0.46142954017499 0.68313511682047 15.999 7 O 0.41796805560067 0.53857045982501 0.18313511682047 15.999 8 O 0.58203194439933 0.03857045982501 0.81686488317953 15.999 9 O 0.08902248794265 0.25000000000000 0.90112697021397 15.999 10 O 0.91097751205735 0.75000000000000 0.09887302978604 15.999 11 O 0.58902248794265 0.25000000000000 0.59887302978603 15.999 12 O 0.41097751205735 0.75000000000000 0.40112697021396 15.999 13 O 0.08203194439933 0.03857045982501 0.68313511682047 15.999 14 O 0.91796805560067 0.53857045982501 0.31686488317953 15.999 15 O 0.58203194439933 0.46142954017499 0.81686488317953 15.999 16 O 0.41796805560067 0.96142954017499 0.18313511682047 15.999 17 Ba 0.25407985490868 0.75000000000000 0.91634086492750 137.327 18 Ba 0.74592014509132 0.25000000000000 0.08365913507250 137.327 19 Ba 0.75407985490868 0.75000000000000 0.58365913507250 137.327 20 Ba 0.24592014509132 0.25000000000000 0.41634086492750 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.765168999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.631469999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.928512909999998 Atomic positions (fractional): 1 C 0.20917596100844 0.37500000000000 0.25588669652301 12.011 > 1 2 C 0.70917596100844 0.37500000000000 0.25588669652301 12.011 > 1 3 C 0.20917596100844 0.87500000000000 0.25588669652301 12.011 > 1 4 C 0.70917596100844 0.87500000000000 0.25588669652301 12.011 > 1 5 C 0.29082403899156 0.12500000000000 0.74411330347699 12.011 > 5 6 C 0.79082403899156 0.12500000000000 0.74411330347699 12.011 > 5 7 C 0.29082403899156 0.62500000000000 0.74411330347699 12.011 > 5 8 C 0.79082403899156 0.62500000000000 0.74411330347699 12.011 > 5 9 C 0.45917596100844 0.37500000000000 0.24411330347699 12.011 > 9 10 C 0.95917596100844 0.37500000000000 0.24411330347699 12.011 > 9 11 C 0.45917596100844 0.87500000000000 0.24411330347699 12.011 > 9 12 C 0.95917596100844 0.87500000000000 0.24411330347699 12.011 > 9 13 C 0.04082403899155 0.12500000000000 0.75588669652301 12.011 > 13 14 C 0.54082403899155 0.12500000000000 0.75588669652301 12.011 > 13 15 C 0.04082403899155 0.62500000000000 0.75588669652301 12.011 > 13 16 C 0.54082403899155 0.62500000000000 0.75588669652301 12.011 > 13 17 O 0.45898402780033 0.48071477008749 0.31686488317953 15.999 > 17 18 O 0.95898402780033 0.48071477008749 0.31686488317953 15.999 > 17 19 O 0.45898402780033 0.98071477008749 0.31686488317953 15.999 > 17 20 O 0.95898402780033 0.98071477008749 0.31686488317953 15.999 > 17 21 O 0.04101597219967 0.23071477008749 0.68313511682047 15.999 > 21 22 O 0.54101597219967 0.23071477008749 0.68313511682047 15.999 > 21 23 O 0.04101597219967 0.73071477008749 0.68313511682047 15.999 > 21 24 O 0.54101597219967 0.73071477008749 0.68313511682047 15.999 > 21 25 O 0.20898402780033 0.26928522991251 0.18313511682047 15.999 > 25 26 O 0.70898402780033 0.26928522991251 0.18313511682047 15.999 > 25 27 O 0.20898402780033 0.76928522991251 0.18313511682047 15.999 > 25 28 O 0.70898402780033 0.76928522991251 0.18313511682047 15.999 > 25 29 O 0.29101597219967 0.01928522991251 0.81686488317953 15.999 > 29 30 O 0.79101597219967 0.01928522991251 0.81686488317953 15.999 > 29 31 O 0.29101597219967 0.51928522991251 0.81686488317953 15.999 > 29 32 O 0.79101597219967 0.51928522991251 0.81686488317953 15.999 > 29 33 O 0.04451124397133 0.12500000000000 0.90112697021397 15.999 > 33 34 O 0.54451124397133 0.12500000000000 0.90112697021397 15.999 > 33 35 O 0.04451124397133 0.62500000000000 0.90112697021397 15.999 > 33 36 O 0.54451124397133 0.62500000000000 0.90112697021397 15.999 > 33 37 O 0.45548875602867 0.37500000000000 0.09887302978604 15.999 > 37 38 O 0.95548875602867 0.37500000000000 0.09887302978604 15.999 > 37 39 O 0.45548875602867 0.87500000000000 0.09887302978604 15.999 > 37 40 O 0.95548875602867 0.87500000000000 0.09887302978604 15.999 > 37 41 O 0.29451124397133 0.12500000000000 0.59887302978603 15.999 > 41 42 O 0.79451124397133 0.12500000000000 0.59887302978603 15.999 > 41 43 O 0.29451124397133 0.62500000000000 0.59887302978603 15.999 > 41 44 O 0.79451124397133 0.62500000000000 0.59887302978603 15.999 > 41 45 O 0.20548875602867 0.37500000000000 0.40112697021396 15.999 > 45 46 O 0.70548875602867 0.37500000000000 0.40112697021396 15.999 > 45 47 O 0.20548875602867 0.87500000000000 0.40112697021396 15.999 > 45 48 O 0.70548875602867 0.87500000000000 0.40112697021396 15.999 > 45 49 O 0.04101597219967 0.01928522991251 0.68313511682047 15.999 > 49 50 O 0.54101597219967 0.01928522991251 0.68313511682047 15.999 > 49 51 O 0.04101597219967 0.51928522991251 0.68313511682047 15.999 > 49 52 O 0.54101597219967 0.51928522991251 0.68313511682047 15.999 > 49 53 O 0.45898402780033 0.26928522991251 0.31686488317953 15.999 > 53 54 O 0.95898402780033 0.26928522991251 0.31686488317953 15.999 > 53 55 O 0.45898402780033 0.76928522991251 0.31686488317953 15.999 > 53 56 O 0.95898402780033 0.76928522991251 0.31686488317953 15.999 > 53 57 O 0.29101597219967 0.23071477008749 0.81686488317953 15.999 > 57 58 O 0.79101597219967 0.23071477008749 0.81686488317953 15.999 > 57 59 O 0.29101597219967 0.73071477008749 0.81686488317953 15.999 > 57 60 O 0.79101597219967 0.73071477008749 0.81686488317953 15.999 > 57 61 O 0.20898402780033 0.48071477008749 0.18313511682047 15.999 > 61 62 O 0.70898402780033 0.48071477008749 0.18313511682047 15.999 > 61 63 O 0.20898402780033 0.98071477008749 0.18313511682047 15.999 > 61 64 O 0.70898402780033 0.98071477008749 0.18313511682047 15.999 > 61 65 Ba 0.12703992745434 0.37500000000000 0.91634086492750 137.327 > 65 66 Ba 0.62703992745434 0.37500000000000 0.91634086492750 137.327 > 65 67 Ba 0.12703992745434 0.87500000000000 0.91634086492750 137.327 > 65 68 Ba 0.62703992745434 0.87500000000000 0.91634086492750 137.327 > 65 69 Ba 0.37296007254566 0.12500000000000 0.08365913507250 137.327 > 69 70 Ba 0.87296007254566 0.12500000000000 0.08365913507250 137.327 > 69 71 Ba 0.37296007254566 0.62500000000000 0.08365913507250 137.327 > 69 72 Ba 0.87296007254566 0.62500000000000 0.08365913507250 137.327 > 69 73 Ba 0.37703992745434 0.37500000000000 0.58365913507250 137.327 > 73 74 Ba 0.87703992745434 0.37500000000000 0.58365913507250 137.327 > 73 75 Ba 0.37703992745434 0.87500000000000 0.58365913507250 137.327 > 73 76 Ba 0.87703992745434 0.87500000000000 0.58365913507250 137.327 > 73 77 Ba 0.12296007254566 0.12500000000000 0.41634086492750 137.327 > 77 78 Ba 0.62296007254566 0.12500000000000 0.41634086492750 137.327 > 77 79 Ba 0.12296007254566 0.62500000000000 0.41634086492750 137.327 > 77 80 Ba 0.62296007254566 0.62500000000000 0.41634086492750 137.327 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4887644 0.0000000 0.0000000 0.0000000 3.0600105 0.0000000 0.0000000 0.0000000 3.0387080 -------------------------- Born effective charges -------------------------- 1 C 0.1866109 0.0000000 -0.0158369 0.0000000 2.8996259 0.0000000 -0.0486222 0.0000000 2.9008584 2 C 0.1866109 0.0000000 -0.0158369 0.0000000 2.8996259 0.0000000 -0.0486222 0.0000000 2.9008584 3 C 0.1866109 0.0000000 0.0158369 0.0000000 2.8996259 0.0000000 0.0486222 0.0000000 2.9008584 4 C 0.1866109 0.0000000 0.0158369 0.0000000 2.8996259 0.0000000 0.0486222 0.0000000 2.9008584 5 O -0.9029576 -0.1035662 -0.0689987 -0.1753538 -2.1594856 -0.4266279 -0.1090797 -0.4420545 -1.6249972 6 O -0.9029576 0.1035662 -0.0689987 0.1753538 -2.1594856 0.4266279 -0.1090797 0.4420545 -1.6249972 7 O -0.9029576 0.1035662 0.0689987 0.1753538 -2.1594856 -0.4266279 0.1090797 -0.4420545 -1.6249972 8 O -0.9029576 -0.1035662 0.0689987 -0.1753538 -2.1594856 0.4266279 0.1090797 0.4420545 -1.6249972 9 O -0.9077974 0.0000000 0.1262907 0.0000000 -1.3472179 0.0000000 0.1876094 0.0000000 -2.3810617 10 O -0.9077974 0.0000000 0.1262907 0.0000000 -1.3472179 0.0000000 0.1876094 0.0000000 -2.3810617 11 O -0.9077974 0.0000000 -0.1262907 0.0000000 -1.3472179 0.0000000 -0.1876094 0.0000000 -2.3810617 12 O -0.9077974 0.0000000 -0.1262907 0.0000000 -1.3472179 0.0000000 -0.1876094 0.0000000 -2.3810617 13 O -0.9029576 -0.1035662 -0.0689987 -0.1753538 -2.1594856 -0.4266279 -0.1090797 -0.4420545 -1.6249972 14 O -0.9029576 0.1035662 -0.0689987 0.1753538 -2.1594856 0.4266279 -0.1090797 0.4420545 -1.6249972 15 O -0.9029576 0.1035662 0.0689987 0.1753538 -2.1594856 -0.4266279 0.1090797 -0.4420545 -1.6249972 16 O -0.9029576 -0.1035662 0.0689987 -0.1753538 -2.1594856 0.4266279 0.1090797 0.4420545 -1.6249972 17 Ba 2.5271018 0.0000000 0.0910564 0.0000000 2.7665632 0.0000000 -0.0672180 0.0000000 2.7301977 18 Ba 2.5271018 0.0000000 0.0910564 0.0000000 2.7665632 0.0000000 -0.0672180 0.0000000 2.7301977 19 Ba 2.5271018 0.0000000 -0.0910564 0.0000000 2.7665632 0.0000000 0.0672180 0.0000000 2.7301977 20 Ba 2.5271018 0.0000000 -0.0910564 0.0000000 2.7665632 0.0000000 0.0672180 0.0000000 2.7301977 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000032 (yzy) 0.00000032 (yzy) 0.00000032 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 9 6 ] 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: 0.62, Number of G-points: 311, Lambda: 0.11 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: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 2.199 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 19.859 ( 0.000 0.000 0.000) 0.000 19.889 ( 0.000 0.000 0.000) 0.000 19.896 ( 0.000 0.000 0.000) 0.000 19.958 ( 0.000 0.000 0.000) 0.000 20.004 ( 0.000 0.000 0.000) 0.000 20.004 ( 0.000 0.000 0.000) 0.000 20.176 ( 0.000 0.000 0.000) 0.000 20.275 ( 0.000 0.000 0.000) 0.000 24.467 ( 0.000 0.000 0.000) 0.000 24.491 ( 0.000 0.000 0.000) 0.000 25.185 ( 0.000 0.000 0.000) 0.000 25.208 ( 0.000 0.000 0.000) 0.000 31.507 ( 0.000 0.000 0.000) 0.000 31.538 ( 0.000 0.000 0.000) 0.000 31.543 ( 0.000 0.000 0.000) 0.000 31.550 ( 0.000 0.000 0.000) 0.000 41.483 ( 0.000 0.000 0.000) 0.000 41.928 ( 0.000 0.000 0.000) 0.000 42.206 ( 0.000 0.000 0.000) 0.000 42.281 ( 0.000 0.000 0.000) 0.000 42.599 ( 0.000 0.000 0.000) 0.000 42.622 ( 0.000 0.000 0.000) 0.000 42.681 ( 0.000 0.000 0.000) 0.000 45.147 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 22.392 0.000 0.000) 22.392 0.480 ( 24.142 0.000 0.000) 24.142 0.688 ( 35.049 0.000 0.000) 35.049 2.129 ( -9.341 0.000 0.000) 9.341 2.156 ( -4.331 0.000 0.000) 4.331 2.303 ( -0.127 0.000 0.000) 0.127 2.331 ( -0.537 0.000 0.000) 0.537 2.584 ( -7.618 0.000 0.000) 7.618 2.875 ( -7.625 0.000 0.000) 7.625 2.957 ( 12.354 0.000 0.000) 12.354 3.941 ( -10.122 0.000 0.000) 10.122 4.110 ( 5.850 0.000 0.000) 5.850 4.189 ( 5.265 0.000 0.000) 5.265 4.199 ( -1.753 0.000 0.000) 1.753 4.388 ( 2.692 0.000 0.000) 2.692 4.454 ( 4.658 0.000 0.000) 4.658 4.459 ( 0.328 0.000 0.000) 0.328 4.626 ( 0.654 0.000 0.000) 0.654 4.696 ( 0.665 0.000 0.000) 0.665 4.707 ( 5.560 0.000 0.000) 5.560 5.039 ( 1.257 0.000 0.000) 1.257 5.101 ( -0.567 0.000 0.000) 0.567 5.104 ( 0.579 0.000 0.000) 0.579 5.295 ( 1.481 0.000 0.000) 1.481 5.403 ( 0.221 0.000 0.000) 0.221 5.619 ( -4.471 0.000 0.000) 4.471 5.670 ( 1.147 0.000 0.000) 1.147 5.764 ( 2.600 0.000 0.000) 2.600 5.975 ( -3.560 0.000 0.000) 3.560 6.054 ( -1.200 0.000 0.000) 1.200 6.446 ( -5.352 0.000 0.000) 5.352 6.644 ( -6.121 0.000 0.000) 6.121 6.798 ( 4.265 0.000 0.000) 4.265 6.823 ( 0.211 0.000 0.000) 0.211 7.022 ( 0.070 0.000 0.000) 0.070 7.403 ( -1.783 0.000 0.000) 1.783 19.862 ( 0.362 0.000 0.000) 0.362 19.893 ( 0.453 0.000 0.000) 0.453 19.901 ( 0.495 0.000 0.000) 0.495 19.954 ( -0.385 0.000 0.000) 0.385 19.999 ( -0.445 0.000 0.000) 0.445 20.001 ( -0.275 0.000 0.000) 0.275 20.178 ( 0.251 0.000 0.000) 0.251 20.270 ( -0.501 0.000 0.000) 0.501 24.525 ( 3.475 0.000 0.000) 3.475 24.745 ( 1.957 0.000 0.000) 1.957 25.167 ( -1.838 0.000 0.000) 1.838 25.190 ( -1.835 0.000 0.000) 1.835 31.507 ( 0.077 0.000 0.000) 0.077 31.540 ( 0.184 0.000 0.000) 0.184 31.547 ( -0.244 0.000 0.000) 0.244 31.556 ( -0.111 0.000 0.000) 0.111 41.520 ( 3.730 0.000 0.000) 3.730 41.960 ( 3.200 0.000 0.000) 3.200 42.216 ( 1.158 0.000 0.000) 1.158 42.377 ( 9.568 0.000 0.000) 9.568 42.538 ( -5.652 0.000 0.000) 5.652 42.604 ( -1.855 0.000 0.000) 1.855 42.668 ( -1.755 0.000 0.000) 1.755 45.016 ( -13.095 0.000 0.000) 13.095 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 22.080 0.000 0.000) 22.080 0.938 ( 22.415 0.000 0.000) 22.415 1.369 ( 34.323 0.000 0.000) 34.323 1.963 ( -6.312 0.000 0.000) 6.312 2.035 ( -7.838 0.000 0.000) 7.838 2.299 ( -0.274 0.000 0.000) 0.274 2.318 ( -0.680 0.000 0.000) 0.680 2.375 ( -13.316 0.000 0.000) 13.316 2.667 ( -13.217 0.000 0.000) 13.217 3.219 ( 12.776 0.000 0.000) 12.776 3.666 ( -16.624 0.000 0.000) 16.624 4.140 ( -4.466 0.000 0.000) 4.466 4.258 ( 8.616 0.000 0.000) 8.616 4.324 ( 7.891 0.000 0.000) 7.891 4.452 ( 3.421 0.000 0.000) 3.421 4.481 ( 1.802 0.000 0.000) 1.802 4.556 ( 4.316 0.000 0.000) 4.316 4.640 ( 0.514 0.000 0.000) 0.514 4.733 ( 4.029 0.000 0.000) 4.029 4.833 ( 6.594 0.000 0.000) 6.594 5.071 ( 1.860 0.000 0.000) 1.860 5.087 ( -0.664 0.000 0.000) 0.664 5.111 ( -0.071 0.000 0.000) 0.071 5.355 ( 4.985 0.000 0.000) 4.985 5.415 ( 1.332 0.000 0.000) 1.332 5.505 ( -6.951 0.000 0.000) 6.951 5.694 ( 0.816 0.000 0.000) 0.816 5.832 ( 4.484 0.000 0.000) 4.484 5.882 ( -5.333 0.000 0.000) 5.333 6.021 ( -2.143 0.000 0.000) 2.143 6.295 ( -9.764 0.000 0.000) 9.764 6.489 ( -9.276 0.000 0.000) 9.276 6.833 ( 0.882 0.000 0.000) 0.882 6.908 ( 6.489 0.000 0.000) 6.489 7.010 ( -1.438 0.000 0.000) 1.438 7.352 ( -3.386 0.000 0.000) 3.386 19.873 ( 0.685 0.000 0.000) 0.685 19.906 ( 0.825 0.000 0.000) 0.825 19.915 ( 0.884 0.000 0.000) 0.884 19.943 ( -0.712 0.000 0.000) 0.712 19.987 ( -0.817 0.000 0.000) 0.817 19.993 ( -0.626 0.000 0.000) 0.626 20.186 ( 0.571 0.000 0.000) 0.571 20.257 ( -0.844 0.000 0.000) 0.844 24.621 ( 6.072 0.000 0.000) 6.072 24.800 ( 3.533 0.000 0.000) 3.533 25.114 ( -3.661 0.000 0.000) 3.661 25.138 ( -3.469 0.000 0.000) 3.469 31.510 ( 0.258 0.000 0.000) 0.258 31.541 ( -0.330 0.000 0.000) 0.330 31.543 ( 0.171 0.000 0.000) 0.171 31.552 ( -0.202 0.000 0.000) 0.202 41.627 ( 7.025 0.000 0.000) 7.025 42.050 ( 5.881 0.000 0.000) 5.881 42.252 ( 2.513 0.000 0.000) 2.513 42.393 ( -8.858 0.000 0.000) 8.858 42.552 ( -3.360 0.000 0.000) 3.360 42.605 ( -4.723 0.000 0.000) 4.723 42.649 ( 17.959 0.000 0.000) 17.959 44.656 ( -22.985 0.000 0.000) 22.985 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 21.289 0.000 0.000) 21.289 1.343 ( 18.453 0.000 0.000) 18.453 1.858 ( -9.850 0.000 0.000) 9.850 1.919 ( 2.632 0.000 0.000) 2.632 2.025 ( 31.975 0.000 0.000) 31.975 2.070 ( -17.305 0.000 0.000) 17.305 2.298 ( -0.051 0.000 0.000) 0.051 2.306 ( -0.486 0.000 0.000) 0.486 2.379 ( -15.239 0.000 0.000) 15.239 3.162 ( -22.118 0.000 0.000) 22.118 3.580 ( 11.346 0.000 0.000) 11.346 4.018 ( -8.158 0.000 0.000) 8.158 4.416 ( 6.726 0.000 0.000) 6.726 4.475 ( 7.151 0.000 0.000) 7.151 4.506 ( 1.698 0.000 0.000) 1.698 4.523 ( 2.345 0.000 0.000) 2.345 4.590 ( -0.297 0.000 0.000) 0.297 4.637 ( -1.046 0.000 0.000) 1.046 4.863 ( 7.897 0.000 0.000) 7.897 4.942 ( 4.098 0.000 0.000) 4.098 5.079 ( -0.138 0.000 0.000) 0.138 5.100 ( -0.876 0.000 0.000) 0.876 5.111 ( 2.437 0.000 0.000) 2.437 5.352 ( -8.448 0.000 0.000) 8.448 5.447 ( 3.538 0.000 0.000) 3.538 5.514 ( 9.583 0.000 0.000) 9.583 5.659 ( -5.146 0.000 0.000) 5.146 5.811 ( -1.548 0.000 0.000) 1.548 5.944 ( 6.981 0.000 0.000) 6.981 5.975 ( -2.388 0.000 0.000) 2.388 6.082 ( -11.113 0.000 0.000) 11.113 6.295 ( -10.126 0.000 0.000) 10.126 6.861 ( 2.014 0.000 0.000) 2.014 6.968 ( -2.754 0.000 0.000) 2.754 7.040 ( 6.767 0.000 0.000) 6.767 7.272 ( -4.786 0.000 0.000) 4.786 19.889 ( 0.913 0.000 0.000) 0.913 19.925 ( 1.063 0.000 0.000) 1.063 19.927 ( -0.931 0.000 0.000) 0.931 19.934 ( 1.100 0.000 0.000) 1.100 19.968 ( -1.060 0.000 0.000) 1.060 19.977 ( -0.951 0.000 0.000) 0.951 20.200 ( 0.855 0.000 0.000) 0.855 20.238 ( -0.996 0.000 0.000) 0.996 24.754 ( 7.277 0.000 0.000) 7.277 24.879 ( 4.472 0.000 0.000) 4.472 25.022 ( -5.650 0.000 0.000) 5.650 25.060 ( -4.357 0.000 0.000) 4.357 31.517 ( 0.425 0.000 0.000) 0.425 31.535 ( -0.380 0.000 0.000) 0.380 31.546 ( 0.064 0.000 0.000) 0.064 31.549 ( -0.163 0.000 0.000) 0.163 41.790 ( 9.473 0.000 0.000) 9.473 42.184 ( 7.587 0.000 0.000) 7.587 42.201 ( -10.542 0.000 0.000) 10.542 42.313 ( 3.637 0.000 0.000) 3.637 42.476 ( -4.221 0.000 0.000) 4.221 42.488 ( -6.996 0.000 0.000) 6.996 43.069 ( 24.508 0.000 0.000) 24.508 44.148 ( -28.009 0.000 0.000) 28.009 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -12.436 0.000 0.000) 12.436 1.644 ( 12.436 0.000 0.000) 12.436 1.705 ( -19.792 0.000 0.000) 19.792 1.705 ( 19.792 0.000 0.000) 19.792 2.077 ( -12.799 0.000 0.000) 12.799 2.077 ( 12.799 0.000 0.000) 12.799 2.299 ( -0.196 0.000 0.000) 0.196 2.299 ( 0.196 0.000 0.000) 0.196 2.643 ( -29.263 0.000 0.000) 29.263 2.643 ( 29.263 0.000 0.000) 29.263 3.821 ( -11.680 0.000 0.000) 11.680 3.821 ( 11.680 0.000 0.000) 11.680 4.504 ( -2.146 0.000 0.000) 2.146 4.504 ( 2.146 0.000 0.000) 2.146 4.566 ( -1.861 0.000 0.000) 1.861 4.566 ( 1.861 0.000 0.000) 1.861 4.588 ( -4.131 0.000 0.000) 4.131 4.588 ( 4.131 0.000 0.000) 4.131 4.972 ( -1.864 0.000 0.000) 1.864 4.972 ( 1.864 0.000 0.000) 1.864 5.084 ( -0.644 0.000 0.000) 0.644 5.084 ( 0.644 0.000 0.000) 0.644 5.194 ( -6.767 0.000 0.000) 6.767 5.194 ( 6.768 0.000 0.000) 6.768 5.539 ( -5.933 0.000 0.000) 5.933 5.539 ( 5.933 0.000 0.000) 5.933 5.721 ( -9.630 0.000 0.000) 9.630 5.721 ( 9.630 0.000 0.000) 9.630 5.947 ( -0.931 0.000 0.000) 0.931 5.947 ( 0.931 0.000 0.000) 0.931 6.104 ( -9.191 0.000 0.000) 9.191 6.104 ( 9.191 0.000 0.000) 9.191 6.910 ( -2.905 0.000 0.000) 2.905 6.910 ( 2.905 0.000 0.000) 2.905 7.166 ( -5.993 0.000 0.000) 5.993 7.166 ( 5.993 0.000 0.000) 5.993 19.908 ( -1.002 0.000 0.000) 1.002 19.908 ( 1.002 0.000 0.000) 1.002 19.946 ( -1.144 0.000 0.000) 1.144 19.946 ( 1.144 0.000 0.000) 1.144 19.956 ( -1.123 0.000 0.000) 1.123 19.956 ( 1.123 0.000 0.000) 1.123 20.219 ( -0.998 0.000 0.000) 0.998 20.219 ( 0.998 0.000 0.000) 0.998 24.897 ( -7.043 0.000 0.000) 7.043 24.897 ( 7.043 0.000 0.000) 7.043 24.970 ( -4.706 0.000 0.000) 4.706 24.970 ( 4.706 0.000 0.000) 4.706 31.526 ( -0.462 0.000 0.000) 0.462 31.526 ( 0.462 0.000 0.000) 0.462 31.547 ( -0.047 0.000 0.000) 0.047 31.547 ( 0.047 0.000 0.000) 0.047 41.990 ( -10.724 0.000 0.000) 10.724 41.990 ( 10.724 0.000 0.000) 10.724 42.339 ( -8.000 0.000 0.000) 8.000 42.339 ( 8.000 0.000 0.000) 8.000 42.392 ( -4.289 0.000 0.000) 4.289 42.392 ( 4.289 0.000 0.000) 4.289 43.590 ( -28.211 0.000 0.000) 28.211 43.590 ( 28.211 0.000 0.000) 28.211 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 21.846 0.000) 21.846 0.560 ( 0.000 26.626 0.000) 26.626 1.124 ( 0.000 52.249 0.000) 52.249 2.217 ( 0.000 1.517 0.000) 1.517 2.231 ( 0.000 -0.334 0.000) 0.334 2.325 ( 0.000 1.272 0.000) 1.272 2.511 ( 0.000 14.469 0.000) 14.469 2.727 ( 0.000 4.969 0.000) 4.969 2.858 ( 0.000 4.356 0.000) 4.356 2.929 ( 0.000 -2.009 0.000) 2.009 3.938 ( 0.000 -8.700 0.000) 8.700 4.057 ( 0.000 0.574 0.000) 0.574 4.160 ( 0.000 -1.423 0.000) 1.423 4.242 ( 0.000 -2.241 0.000) 2.241 4.406 ( 0.000 1.100 0.000) 1.100 4.418 ( 0.000 1.129 0.000) 1.129 4.421 ( 0.000 -3.127 0.000) 3.127 4.508 ( 0.000 -1.276 0.000) 1.276 4.627 ( 0.000 -4.643 0.000) 4.643 4.665 ( 0.000 3.874 0.000) 3.874 4.715 ( 0.000 8.236 0.000) 8.236 5.002 ( 0.000 -1.895 0.000) 1.895 5.171 ( 0.000 5.812 0.000) 5.812 5.213 ( 0.000 8.227 0.000) 8.227 5.377 ( 0.000 7.950 0.000) 7.950 5.617 ( 0.000 -2.425 0.000) 2.425 5.727 ( 0.000 4.157 0.000) 4.157 5.730 ( 0.000 -0.234 0.000) 0.234 6.046 ( 0.000 2.479 0.000) 2.479 6.085 ( 0.000 1.568 0.000) 1.568 6.383 ( 0.000 -9.081 0.000) 9.081 6.674 ( 0.000 -3.218 0.000) 3.218 6.773 ( 0.000 -3.974 0.000) 3.974 6.815 ( 0.000 4.101 0.000) 4.101 6.998 ( 0.000 -3.156 0.000) 3.156 7.867 ( 0.000 -4.999 0.000) 4.999 19.880 ( 0.000 2.014 0.000) 2.014 19.906 ( 0.000 0.928 0.000) 0.928 19.923 ( 0.000 2.965 0.000) 2.965 20.002 ( 0.000 -0.228 0.000) 0.228 20.004 ( 0.000 0.044 0.000) 0.044 20.036 ( 0.000 1.018 0.000) 1.018 20.174 ( 0.000 -0.140 0.000) 0.140 20.245 ( 0.000 -2.530 0.000) 2.530 24.467 ( 0.000 0.010 0.000) 0.010 24.489 ( 0.000 -0.124 0.000) 0.124 25.185 ( 0.000 -0.039 0.000) 0.039 25.206 ( 0.000 -0.193 0.000) 0.193 31.495 ( 0.000 -1.063 0.000) 1.063 31.532 ( 0.000 -0.513 0.000) 0.513 31.538 ( 0.000 -0.416 0.000) 0.416 31.545 ( 0.000 -0.441 0.000) 0.441 41.546 ( 0.000 5.724 0.000) 5.724 41.964 ( 0.000 3.128 0.000) 3.128 42.125 ( 0.000 -5.469 0.000) 5.469 42.249 ( 0.000 -2.958 0.000) 2.958 42.626 ( 0.000 0.611 0.000) 0.611 42.914 ( 0.000 19.486 0.000) 19.486 44.977 ( 0.000 -15.673 0.000) 15.673 45.359 ( 0.000 -2.106 0.000) 2.106 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 14.956 15.173 0.000) 21.305 0.729 ( 15.050 19.722 0.000) 24.808 1.304 ( 17.242 43.638 0.000) 46.921 2.127 ( -7.583 0.975 0.000) 7.646 2.137 ( -6.266 0.627 0.000) 6.297 2.361 ( 1.863 4.031 0.000) 4.441 2.504 ( -0.978 13.659 0.000) 13.694 2.636 ( -8.204 4.184 0.000) 9.209 2.869 ( -5.838 -0.153 0.000) 5.840 2.972 ( 9.871 1.526 0.000) 9.988 3.864 ( -7.680 -6.647 0.000) 10.157 4.114 ( 2.842 -0.196 0.000) 2.849 4.144 ( 2.042 -1.183 0.000) 2.360 4.288 ( 2.904 3.876 0.000) 4.843 4.372 ( -0.697 -2.584 0.000) 2.677 4.373 ( 4.122 -6.623 0.000) 7.801 4.489 ( 4.119 1.933 0.000) 4.550 4.597 ( 0.936 -4.553 0.000) 4.648 4.701 ( 3.227 2.429 0.000) 4.039 4.724 ( 1.218 7.361 0.000) 7.462 4.986 ( 10.776 -8.846 0.000) 13.942 5.034 ( 15.190 -6.924 0.000) 16.694 5.170 ( -0.133 6.197 0.000) 6.198 5.223 ( 0.832 8.223 0.000) 8.264 5.387 ( 1.229 7.795 0.000) 7.891 5.580 ( -3.726 -2.446 0.000) 4.457 5.727 ( 0.549 4.243 0.000) 4.278 5.757 ( 2.299 -0.383 0.000) 2.330 6.011 ( -3.459 2.522 0.000) 4.281 6.072 ( -1.244 1.540 0.000) 1.979 6.351 ( -3.505 -8.021 0.000) 8.753 6.613 ( -5.793 -2.871 0.000) 6.466 6.776 ( 0.424 -3.793 0.000) 3.817 6.831 ( 1.721 2.381 0.000) 2.938 6.998 ( -0.283 -3.126 0.000) 3.139 7.643 ( -16.067 4.836 0.000) 16.779 19.884 ( 0.372 2.011 0.000) 2.046 19.905 ( 0.041 0.798 0.000) 0.799 19.924 ( 0.118 2.651 0.000) 2.653 19.998 ( -0.357 -0.126 0.000) 0.379 20.002 ( -0.214 0.120 0.000) 0.246 20.003 ( -2.043 2.375 0.000) 3.133 20.177 ( 0.302 -0.084 0.000) 0.313 20.243 ( -0.215 -2.292 0.000) 2.302 24.524 ( 3.476 -0.123 0.000) 3.478 24.585 ( 8.246 -5.722 0.000) 10.037 25.167 ( -1.861 -0.060 0.000) 1.862 25.188 ( -1.863 -0.213 0.000) 1.876 31.495 ( 0.080 -1.055 0.000) 1.058 31.530 ( -0.492 -0.926 0.000) 1.048 31.534 ( 0.182 -0.514 0.000) 0.545 31.545 ( -0.087 -0.450 0.000) 0.459 41.589 ( 4.363 6.266 0.000) 7.635 42.001 ( 3.760 3.629 0.000) 5.226 42.139 ( 1.493 -5.143 0.000) 5.356 42.340 ( 9.120 -3.371 0.000) 9.723 42.605 ( -2.074 0.399 0.000) 2.112 42.869 ( -4.640 18.740 0.000) 19.306 44.198 ( -71.679 62.162 0.000) 94.879 44.854 ( -12.345 -14.980 0.000) 19.412 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 19.346 8.168 0.000) 21.000 1.070 ( 18.393 11.906 0.000) 21.910 1.733 ( 25.137 30.399 0.000) 39.446 1.992 ( -5.241 3.328 0.000) 6.208 1.999 ( -7.602 -0.779 0.000) 7.641 2.386 ( -1.644 5.836 0.000) 6.063 2.427 ( -10.339 5.259 0.000) 11.600 2.460 ( -4.046 9.120 0.000) 9.978 2.718 ( -8.758 6.538 0.000) 10.929 3.199 ( 12.314 -2.081 0.000) 12.488 3.639 ( -14.758 -2.176 0.000) 14.918 4.072 ( -4.639 -4.788 0.000) 6.667 4.290 ( 9.339 1.583 0.000) 9.472 4.368 ( 4.854 2.950 0.000) 5.680 4.382 ( 1.456 -3.691 0.000) 3.968 4.514 ( 8.513 -5.873 0.000) 10.342 4.565 ( 3.377 4.450 0.000) 5.586 4.627 ( 2.997 -4.026 0.000) 5.019 4.732 ( 0.684 7.649 0.000) 7.680 4.805 ( 5.586 -1.329 0.000) 5.742 5.018 ( 0.832 -2.868 0.000) 2.986 5.166 ( -0.319 6.787 0.000) 6.794 5.237 ( 0.348 8.677 0.000) 8.684 5.358 ( 10.017 -5.045 0.000) 11.216 5.446 ( 5.561 7.227 0.000) 9.119 5.474 ( -6.867 -2.057 0.000) 7.169 5.746 ( 1.111 4.398 0.000) 4.536 5.818 ( 3.797 -0.717 0.000) 3.864 5.924 ( -4.696 2.666 0.000) 5.400 6.038 ( -2.142 1.466 0.000) 2.596 6.238 ( -8.023 -5.335 0.000) 9.635 6.466 ( -8.839 -2.144 0.000) 9.095 6.791 ( 1.092 -3.517 0.000) 3.683 6.887 ( 3.940 -1.644 0.000) 4.269 6.978 ( -1.785 -3.154 0.000) 3.624 7.379 ( -10.567 1.040 0.000) 10.618 19.894 ( 0.663 1.983 0.000) 2.090 19.911 ( 0.555 0.285 0.000) 0.623 19.928 ( 0.299 1.874 0.000) 1.898 19.972 ( -1.205 1.989 0.000) 2.326 19.989 ( -0.610 0.153 0.000) 0.629 19.995 ( -0.525 0.288 0.000) 0.599 20.186 ( 0.601 0.011 0.000) 0.601 20.237 ( -0.409 -1.667 0.000) 1.716 24.620 ( 6.077 -0.117 0.000) 6.079 24.727 ( 6.373 -4.830 0.000) 7.997 25.113 ( -3.676 -0.108 0.000) 3.678 25.134 ( -3.598 -0.322 0.000) 3.612 31.498 ( 0.221 -1.075 0.000) 1.097 31.523 ( -0.319 -1.507 0.000) 1.540 31.538 ( 0.182 -0.497 0.000) 0.529 31.543 ( -0.119 -0.462 0.000) 0.477 41.715 ( 8.401 7.965 0.000) 11.577 42.108 ( 7.012 5.163 0.000) 8.708 42.184 ( 3.004 -4.307 0.000) 5.251 42.547 ( -3.708 -0.180 0.000) 3.712 42.598 ( 16.792 -4.350 0.000) 17.346 42.731 ( -9.570 17.742 0.000) 20.158 43.204 ( -32.938 49.128 0.000) 59.148 44.513 ( -21.729 -13.131 0.000) 25.388 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 20.127 4.877 0.000) 20.709 1.412 ( 15.756 6.866 0.000) 17.187 1.841 ( -8.285 0.244 0.000) 8.289 1.954 ( 2.104 3.775 0.000) 4.322 2.113 ( -17.128 3.018 0.000) 17.392 2.250 ( 26.487 19.899 0.000) 33.130 2.317 ( -10.580 1.630 0.000) 10.705 2.432 ( 2.161 11.361 0.000) 11.564 2.573 ( -5.188 15.646 0.000) 16.484 3.225 ( -18.624 5.760 0.000) 19.495 3.510 ( 10.472 -6.476 0.000) 12.313 3.943 ( -8.482 -6.552 0.000) 10.718 4.418 ( 1.929 -3.974 0.000) 4.418 4.441 ( 2.013 -0.814 0.000) 2.171 4.468 ( 8.052 1.964 0.000) 8.288 4.610 ( 0.827 4.229 0.000) 4.309 4.637 ( 4.372 2.735 0.000) 5.157 4.736 ( -0.449 7.859 0.000) 7.871 4.764 ( 9.963 -5.884 0.000) 11.571 4.903 ( 3.852 -2.925 0.000) 4.836 5.034 ( 0.897 -3.657 0.000) 3.765 5.151 ( -1.729 4.841 0.000) 5.141 5.235 ( -0.281 9.183 0.000) 9.187 5.326 ( -7.409 -0.024 0.000) 7.409 5.501 ( 6.413 0.809 0.000) 6.464 5.582 ( 7.744 7.221 0.000) 10.589 5.727 ( -4.239 5.307 0.000) 6.792 5.838 ( -0.876 2.125 0.000) 2.298 5.939 ( 6.053 -0.579 0.000) 6.081 5.991 ( -2.577 1.396 0.000) 2.931 6.056 ( -9.348 -2.186 0.000) 9.601 6.281 ( -9.708 -1.333 0.000) 9.799 6.821 ( 2.080 -3.423 0.000) 4.005 6.931 ( -2.924 -3.341 0.000) 4.440 6.978 ( 5.198 -5.255 0.000) 7.391 7.211 ( -7.118 -4.946 0.000) 8.667 19.909 ( 0.808 1.860 0.000) 2.027 19.924 ( 0.571 0.085 0.000) 0.577 19.935 ( 0.457 0.921 0.000) 1.028 19.953 ( -0.804 1.440 0.000) 1.649 19.976 ( -0.590 0.654 0.000) 0.880 19.982 ( -0.727 0.545 0.000) 0.908 20.199 ( 0.763 -0.029 0.000) 0.763 20.227 ( -0.583 -0.931 0.000) 1.099 24.753 ( 7.284 -0.105 0.000) 7.285 24.845 ( 5.729 -2.746 0.000) 6.353 25.021 ( -5.639 -0.104 0.000) 5.639 25.052 ( -4.685 -0.696 0.000) 4.737 31.504 ( 0.331 -1.178 0.000) 1.223 31.517 ( -0.305 -1.537 0.000) 1.567 31.540 ( 0.068 -0.461 0.000) 0.466 31.541 ( -0.034 -0.457 0.000) 0.458 41.914 ( 11.826 11.019 0.000) 16.164 42.252 ( 3.677 -2.646 0.000) 4.531 42.268 ( 8.910 7.595 0.000) 11.708 42.468 ( -4.048 -0.678 0.000) 4.104 42.484 ( -14.597 18.911 0.000) 23.889 42.742 ( -14.694 22.408 0.000) 26.796 43.011 ( 22.360 -4.337 0.000) 22.777 44.033 ( -26.566 -10.645 0.000) 28.619 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -8.984 3.570 0.000) 9.668 1.661 ( 8.984 3.570 0.000) 9.668 1.757 ( -18.185 2.860 0.000) 18.408 1.757 ( 18.185 2.860 0.000) 18.408 2.088 ( -10.867 2.266 0.000) 11.101 2.088 ( 10.867 2.266 0.000) 11.101 2.482 ( -2.807 14.647 0.000) 14.914 2.482 ( 2.807 14.647 0.000) 14.914 2.777 ( -24.997 12.379 0.000) 27.895 2.777 ( 24.997 12.379 0.000) 27.895 3.744 ( -11.607 -7.158 0.000) 13.636 3.744 ( 11.607 -7.158 0.000) 13.636 4.448 ( -0.881 -3.429 0.000) 3.540 4.448 ( 0.881 -3.429 0.000) 3.540 4.585 ( -3.604 2.944 0.000) 4.654 4.585 ( 3.604 2.944 0.000) 4.654 4.708 ( -2.594 6.951 0.000) 7.419 4.708 ( 2.594 6.951 0.000) 7.419 4.922 ( -3.564 -3.382 0.000) 4.914 4.922 ( 3.564 -3.382 0.000) 4.914 5.075 ( -4.424 -3.843 0.000) 5.860 5.075 ( 4.424 -3.843 0.000) 5.860 5.239 ( -1.302 7.895 0.000) 8.002 5.239 ( 1.302 7.895 0.000) 8.002 5.619 ( -5.851 4.666 0.000) 7.483 5.619 ( 5.851 4.666 0.000) 7.483 5.755 ( -8.866 3.402 0.000) 9.496 5.755 ( 8.866 3.402 0.000) 9.496 5.950 ( -0.585 0.474 0.000) 0.753 5.950 ( 0.585 0.474 0.000) 0.753 6.097 ( -8.780 -0.591 0.000) 8.800 6.097 ( 8.780 -0.591 0.000) 8.800 6.871 ( -2.941 -3.444 0.000) 4.529 6.871 ( 2.941 -3.444 0.000) 4.529 7.086 ( -5.853 -6.771 0.000) 8.950 7.086 ( 5.853 -6.771 0.000) 8.950 19.924 ( -0.594 1.350 0.000) 1.475 19.924 ( 0.594 1.350 0.000) 1.475 19.943 ( -0.279 0.240 0.000) 0.368 19.943 ( 0.279 0.240 0.000) 0.368 19.971 ( -0.224 0.990 0.000) 1.015 19.971 ( 0.224 0.990 0.000) 1.015 20.214 ( -0.729 -0.341 0.000) 0.805 20.214 ( 0.729 -0.341 0.000) 0.805 24.896 ( -7.046 -0.095 0.000) 7.046 24.896 ( 7.046 -0.095 0.000) 7.046 24.953 ( -5.333 -1.439 0.000) 5.524 24.953 ( 5.333 -1.439 0.000) 5.524 31.510 ( -0.345 -1.360 0.000) 1.403 31.510 ( 0.345 -1.360 0.000) 1.403 31.541 ( -0.005 -0.443 0.000) 0.443 31.541 ( 0.005 -0.443 0.000) 0.443 42.170 ( -13.779 14.889 0.000) 20.287 42.170 ( 13.779 14.889 0.000) 20.287 42.350 ( -2.655 -0.002 0.000) 2.655 42.350 ( 2.655 -0.002 0.000) 2.655 42.500 ( -9.975 11.353 0.000) 15.113 42.500 ( 9.975 11.353 0.000) 15.113 43.503 ( -26.804 -8.000 0.000) 27.973 43.503 ( 26.804 -8.000 0.000) 27.973 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 21.498 0.000) 21.498 1.108 ( 0.000 25.656 0.000) 25.656 2.132 ( 0.000 36.408 0.000) 36.408 2.269 ( 0.000 10.020 0.000) 10.020 2.276 ( 0.000 5.121 0.000) 5.121 2.339 ( 0.000 0.321 0.000) 0.321 2.812 ( 0.000 11.566 0.000) 11.566 2.814 ( 0.000 2.603 0.000) 2.603 2.880 ( 0.000 -2.144 0.000) 2.144 2.958 ( 0.000 3.829 0.000) 3.829 3.702 ( 0.000 -13.712 0.000) 13.712 4.066 ( 0.000 -0.057 0.000) 0.057 4.156 ( 0.000 1.883 0.000) 1.883 4.179 ( 0.000 -3.595 0.000) 3.595 4.356 ( 0.000 -2.537 0.000) 2.537 4.364 ( 0.000 -3.381 0.000) 3.381 4.446 ( 0.000 1.478 0.000) 1.478 4.470 ( 0.000 -2.426 0.000) 2.426 4.543 ( 0.000 -2.872 0.000) 2.872 4.808 ( 0.000 7.466 0.000) 7.466 4.900 ( 0.000 7.601 0.000) 7.601 4.959 ( 0.000 -2.442 0.000) 2.442 5.341 ( 0.000 10.410 0.000) 10.410 5.416 ( 0.000 10.596 0.000) 10.596 5.575 ( 0.000 10.461 0.000) 10.461 5.585 ( 0.000 -0.259 0.000) 0.259 5.726 ( 0.000 -0.020 0.000) 0.020 5.822 ( 0.000 4.649 0.000) 4.649 6.068 ( 0.000 -1.311 0.000) 1.311 6.120 ( 0.000 1.425 0.000) 1.425 6.174 ( 0.000 -10.106 0.000) 10.106 6.580 ( 0.000 -5.595 0.000) 5.595 6.710 ( 0.000 -0.677 0.000) 0.677 6.890 ( 0.000 2.851 0.000) 2.851 6.923 ( 0.000 -3.311 0.000) 3.311 7.715 ( 0.000 -9.481 0.000) 9.481 19.930 ( 0.000 1.192 0.000) 1.192 19.940 ( 0.000 3.572 0.000) 3.572 19.991 ( 0.000 2.957 0.000) 2.957 19.991 ( 0.000 -0.817 0.000) 0.817 20.007 ( 0.000 0.245 0.000) 0.245 20.064 ( 0.000 1.605 0.000) 1.605 20.174 ( 0.000 0.264 0.000) 0.264 20.190 ( 0.000 -2.318 0.000) 2.318 24.468 ( 0.000 0.038 0.000) 0.038 24.486 ( 0.000 -0.215 0.000) 0.215 25.184 ( 0.000 -0.039 0.000) 0.039 25.201 ( 0.000 -0.305 0.000) 0.305 31.469 ( 0.000 -1.166 0.000) 1.166 31.517 ( 0.000 -0.905 0.000) 0.905 31.527 ( 0.000 -0.614 0.000) 0.614 31.533 ( 0.000 -0.678 0.000) 0.678 41.703 ( 0.000 8.647 0.000) 8.647 42.022 ( 0.000 -4.145 0.000) 4.145 42.039 ( 0.000 3.429 0.000) 3.429 42.166 ( 0.000 -4.758 0.000) 4.758 42.666 ( 0.000 3.830 0.000) 3.830 43.410 ( 0.000 26.565 0.000) 26.565 44.536 ( 0.000 -25.190 0.000) 25.190 45.285 ( 0.000 -5.131 0.000) 5.131 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 7.912 18.882 0.000) 20.473 1.191 ( 7.995 23.209 0.000) 24.547 2.140 ( -2.503 10.899 0.000) 11.182 2.204 ( -4.796 6.607 0.000) 8.165 2.262 ( 3.724 33.505 0.000) 33.711 2.418 ( 5.374 1.156 0.000) 5.497 2.718 ( -8.716 2.602 0.000) 9.096 2.735 ( -6.590 5.103 0.000) 8.335 2.916 ( 2.275 5.631 0.000) 6.073 3.008 ( 4.457 1.144 0.000) 4.602 3.681 ( -2.517 -10.717 0.000) 11.008 4.107 ( -4.593 0.105 0.000) 4.594 4.137 ( 6.727 -0.391 0.000) 6.739 4.223 ( 4.284 -4.544 0.000) 6.245 4.315 ( -0.775 -2.113 0.000) 2.250 4.372 ( 1.216 2.864 0.000) 3.112 4.461 ( 6.065 -3.459 0.000) 6.982 4.544 ( 1.767 -1.237 0.000) 2.156 4.791 ( 18.078 -7.888 0.000) 19.724 4.813 ( 0.543 6.640 0.000) 6.663 4.903 ( 0.280 7.411 0.000) 7.416 4.977 ( 3.047 -2.449 0.000) 3.909 5.346 ( 0.291 10.383 0.000) 10.387 5.425 ( 0.832 10.436 0.000) 10.469 5.549 ( -3.372 -0.082 0.000) 3.373 5.583 ( 0.969 10.378 0.000) 10.423 5.748 ( 2.070 -0.174 0.000) 2.077 5.827 ( 0.611 4.763 0.000) 4.802 6.035 ( -3.229 -1.111 0.000) 3.415 6.107 ( -1.301 1.421 0.000) 1.927 6.157 ( -1.775 -9.460 0.000) 9.625 6.530 ( -4.812 -4.899 0.000) 6.867 6.713 ( 0.304 -1.046 0.000) 1.089 6.878 ( -1.116 1.925 0.000) 2.225 6.918 ( -0.636 -3.716 0.000) 3.770 7.601 ( -10.595 -6.688 0.000) 12.529 19.927 ( -0.171 1.149 0.000) 1.162 19.943 ( 0.323 3.539 0.000) 3.554 19.981 ( -0.746 2.122 0.000) 2.249 19.990 ( -0.110 -0.643 0.000) 0.652 20.010 ( 0.102 0.820 0.000) 0.826 20.048 ( -1.389 2.042 0.000) 2.470 20.179 ( 0.442 0.340 0.000) 0.558 20.193 ( 0.327 -2.080 0.000) 2.105 24.521 ( 3.485 -0.212 0.000) 3.492 24.524 ( 5.266 -1.266 0.000) 5.416 25.165 ( -1.918 -0.068 0.000) 1.919 25.182 ( -1.913 -0.323 0.000) 1.940 31.470 ( 0.098 -1.146 0.000) 1.150 31.516 ( -0.915 -0.569 0.000) 1.078 31.519 ( 0.200 -0.893 0.000) 0.915 31.533 ( -0.059 -0.669 0.000) 0.672 41.759 ( 5.757 9.322 0.000) 10.956 42.043 ( 2.175 -3.810 0.000) 4.387 42.089 ( 5.131 4.118 0.000) 6.579 42.245 ( 7.981 -5.424 0.000) 9.650 42.640 ( -2.690 3.497 0.000) 4.412 43.345 ( -6.564 25.504 0.000) 26.335 44.432 ( -10.440 -24.109 0.000) 26.272 44.847 ( -38.719 11.303 0.000) 40.335 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 12.643 13.034 0.000) 18.158 1.394 ( 11.998 18.147 0.000) 21.754 2.032 ( -6.587 3.196 0.000) 7.322 2.114 ( -3.910 8.094 0.000) 8.989 2.449 ( -10.090 1.109 0.000) 10.151 2.450 ( 13.662 34.911 0.000) 37.489 2.576 ( -9.372 3.412 0.000) 9.974 2.580 ( 2.920 6.589 0.000) 7.207 2.944 ( 0.275 11.230 0.000) 11.234 3.128 ( 7.820 -4.542 0.000) 9.043 3.586 ( -7.460 -3.114 0.000) 8.084 3.971 ( -8.961 -4.459 0.000) 10.009 4.303 ( 8.809 -1.054 0.000) 8.872 4.325 ( 1.542 -1.382 0.000) 2.070 4.348 ( 7.976 -3.816 0.000) 8.842 4.450 ( 5.714 2.678 0.000) 6.310 4.582 ( 5.733 -2.917 0.000) 6.432 4.612 ( 5.774 0.496 0.000) 5.795 4.828 ( 0.824 3.765 0.000) 3.854 4.908 ( 0.209 6.865 0.000) 6.868 4.944 ( 1.191 -4.497 0.000) 4.652 5.214 ( 15.608 -7.726 0.000) 17.416 5.328 ( -3.336 6.848 0.000) 7.617 5.444 ( 0.973 10.224 0.000) 10.270 5.476 ( -2.954 4.039 0.000) 5.004 5.626 ( 3.852 9.474 0.000) 10.227 5.804 ( 3.467 -0.639 0.000) 3.526 5.852 ( 1.941 4.874 0.000) 5.247 5.945 ( -5.742 -1.925 0.000) 6.056 6.071 ( -2.267 1.352 0.000) 2.640 6.104 ( -3.577 -5.752 0.000) 6.774 6.405 ( -7.588 -3.466 0.000) 8.342 6.722 ( 0.721 -2.044 0.000) 2.167 6.856 ( -0.740 -0.965 0.000) 1.216 6.893 ( -1.971 -4.282 0.000) 4.713 7.352 ( -13.635 -3.871 0.000) 14.174 19.926 ( 0.121 0.958 0.000) 0.966 19.951 ( 0.413 3.264 0.000) 3.290 19.967 ( -0.557 1.613 0.000) 1.706 19.986 ( -0.299 -0.208 0.000) 0.364 20.007 ( -0.355 0.889 0.000) 0.957 20.021 ( -1.218 2.404 0.000) 2.695 20.190 ( 0.652 0.415 0.000) 0.773 20.201 ( 0.421 -1.501 0.000) 1.559 24.616 ( 6.092 -0.196 0.000) 6.095 24.650 ( 7.063 -2.458 0.000) 7.478 25.110 ( -3.745 -0.153 0.000) 3.748 25.126 ( -3.822 -0.413 0.000) 3.844 31.473 ( 0.186 -1.122 0.000) 1.137 31.498 ( -0.756 -0.759 0.000) 1.071 31.524 ( 0.238 -0.846 0.000) 0.879 31.531 ( -0.092 -0.635 0.000) 0.642 41.927 ( 11.264 11.333 0.000) 15.979 42.107 ( 4.232 -2.911 0.000) 5.136 42.237 ( 9.923 6.248 0.000) 11.726 42.471 ( 14.852 -7.304 0.000) 16.551 42.564 ( -4.887 2.535 0.000) 5.506 43.161 ( -12.040 22.734 0.000) 25.725 44.028 ( -40.554 26.453 0.000) 48.419 44.143 ( -18.481 -21.173 0.000) 28.104 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 15.984 6.704 0.000) 17.333 1.627 ( 10.773 13.041 0.000) 16.915 1.909 ( -5.733 5.673 0.000) 8.065 2.076 ( 0.771 7.362 0.000) 7.402 2.162 ( -16.500 1.483 0.000) 16.567 2.376 ( -10.828 4.013 0.000) 11.548 2.701 ( 6.875 12.994 0.000) 14.700 2.751 ( 15.638 25.408 0.000) 29.835 2.925 ( -1.519 15.875 0.000) 15.948 3.308 ( 9.487 -8.396 0.000) 12.668 3.390 ( -11.558 4.844 0.000) 12.532 3.768 ( -11.410 -9.401 0.000) 14.784 4.364 ( 2.238 -0.815 0.000) 2.381 4.406 ( 1.537 -0.876 0.000) 1.769 4.513 ( 8.136 -0.249 0.000) 8.140 4.609 ( 9.987 -1.053 0.000) 10.043 4.661 ( 1.769 -0.385 0.000) 1.810 4.767 ( 9.331 3.153 0.000) 9.850 4.837 ( -0.371 -0.664 0.000) 0.761 4.908 ( -0.178 5.110 0.000) 5.113 4.951 ( -0.111 -4.313 0.000) 4.315 5.194 ( -9.450 1.015 0.000) 9.504 5.441 ( 4.645 3.322 0.000) 5.711 5.455 ( 0.076 10.393 0.000) 10.393 5.473 ( 5.436 2.352 0.000) 5.923 5.736 ( 6.758 7.295 0.000) 9.944 5.794 ( -7.407 -2.466 0.000) 7.806 5.877 ( 1.831 1.255 0.000) 2.220 5.925 ( 4.600 1.283 0.000) 4.776 6.022 ( -2.651 1.203 0.000) 2.911 6.028 ( -3.133 0.320 0.000) 3.149 6.245 ( -8.479 -1.906 0.000) 8.691 6.744 ( 1.571 -3.242 0.000) 3.603 6.844 ( -2.925 -4.415 0.000) 5.296 6.863 ( 1.747 -4.702 0.000) 5.016 7.104 ( -10.980 -4.795 0.000) 11.981 19.932 ( 0.461 0.667 0.000) 0.811 19.951 ( -0.403 1.175 0.000) 1.242 19.968 ( 0.495 2.951 0.000) 2.992 19.980 ( -0.259 0.639 0.000) 0.690 19.998 ( -0.526 0.787 0.000) 0.947 20.002 ( -0.741 2.234 0.000) 2.354 20.202 ( 0.518 0.264 0.000) 0.581 20.208 ( 0.230 -0.801 0.000) 0.834 24.750 ( 7.301 -0.178 0.000) 7.303 24.789 ( 7.024 -2.202 0.000) 7.361 25.018 ( -5.609 -0.195 0.000) 5.612 25.035 ( -5.315 -0.763 0.000) 5.370 31.477 ( 0.220 -1.133 0.000) 1.154 31.487 ( -0.388 -1.036 0.000) 1.107 31.528 ( 0.141 -0.763 0.000) 0.776 31.530 ( -0.040 -0.629 0.000) 0.631 42.196 ( 16.031 14.480 0.000) 21.603 42.205 ( 5.764 -1.587 0.000) 5.978 42.452 ( -4.862 3.295 0.000) 5.873 42.477 ( 12.984 7.755 0.000) 15.124 42.807 ( 17.675 -9.157 0.000) 19.906 42.884 ( -15.389 19.048 0.000) 24.488 43.340 ( -28.375 24.563 0.000) 37.530 43.733 ( -22.658 -17.029 0.000) 28.344 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -1.760 4.484 0.000) 4.817 1.770 ( 1.760 4.484 0.000) 4.817 1.843 ( -9.572 7.417 0.000) 12.109 1.843 ( 9.572 7.417 0.000) 12.109 2.174 ( -8.719 5.667 0.000) 10.399 2.174 ( 8.719 5.667 0.000) 10.399 2.823 ( -5.031 16.470 0.000) 17.221 2.823 ( 5.031 16.470 0.000) 17.221 3.100 ( -15.692 16.593 0.000) 22.838 3.100 ( 15.692 16.593 0.000) 22.838 3.537 ( -11.893 -12.201 0.000) 17.038 3.537 ( 11.893 -12.201 0.000) 17.038 4.402 ( -1.368 -0.479 0.000) 1.450 4.402 ( 1.368 -0.479 0.000) 1.450 4.638 ( -4.081 1.116 0.000) 4.231 4.638 ( 4.081 1.116 0.000) 4.231 4.778 ( -6.166 -1.160 0.000) 6.274 4.778 ( 6.166 -1.160 0.000) 6.274 4.908 ( -1.114 1.985 0.000) 2.276 4.908 ( 1.114 1.985 0.000) 2.276 4.998 ( -8.761 -1.547 0.000) 8.897 4.998 ( 8.761 -1.547 0.000) 8.897 5.458 ( -0.005 11.168 0.000) 11.168 5.458 ( 0.005 11.168 0.000) 11.168 5.633 ( -8.474 -3.621 0.000) 9.216 5.633 ( 8.474 -3.621 0.000) 9.216 5.856 ( -4.608 5.319 0.000) 7.037 5.856 ( 4.608 5.319 0.000) 7.037 5.974 ( -1.874 1.505 0.000) 2.404 5.974 ( 1.874 1.505 0.000) 2.404 6.085 ( -7.469 -0.368 0.000) 7.478 6.085 ( 7.469 -0.368 0.000) 7.478 6.786 ( -2.718 -4.076 0.000) 4.899 6.786 ( 2.718 -4.076 0.000) 4.899 6.937 ( -6.033 -6.277 0.000) 8.706 6.937 ( 6.033 -6.277 0.000) 8.706 19.942 ( -0.477 0.588 0.000) 0.757 19.942 ( 0.477 0.588 0.000) 0.757 19.976 ( -0.275 2.304 0.000) 2.320 19.976 ( 0.275 2.304 0.000) 2.320 19.992 ( -0.104 1.229 0.000) 1.234 19.992 ( 0.104 1.229 0.000) 1.234 20.209 ( -0.150 -0.167 0.000) 0.224 20.209 ( 0.150 -0.167 0.000) 0.224 24.893 ( -7.046 -0.171 0.000) 7.048 24.893 ( 7.046 -0.171 0.000) 7.048 24.921 ( -6.336 -1.440 0.000) 6.497 24.921 ( 6.336 -1.440 0.000) 6.497 31.481 ( -0.237 -1.143 0.000) 1.168 31.481 ( 0.237 -1.143 0.000) 1.168 31.529 ( -0.043 -0.678 0.000) 0.679 31.529 ( 0.043 -0.678 0.000) 0.679 42.327 ( -6.480 0.081 0.000) 6.481 42.327 ( 6.480 0.081 0.000) 6.481 42.539 ( -18.295 17.165 0.000) 25.086 42.539 ( 18.295 17.165 0.000) 25.086 42.800 ( -18.465 14.220 0.000) 23.306 42.800 ( 18.465 14.220 0.000) 23.306 43.289 ( -21.229 -10.910 0.000) 23.868 43.289 ( 21.229 -10.910 0.000) 23.868 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 20.166 0.000) 20.166 1.625 ( 0.000 23.621 0.000) 23.621 2.207 ( 0.000 -4.053 0.000) 4.053 2.352 ( 0.000 0.853 0.000) 0.853 2.448 ( 0.000 11.081 0.000) 11.081 2.813 ( 0.000 2.680 0.000) 2.680 2.823 ( 0.000 -1.631 0.000) 1.631 2.943 ( 0.000 1.382 0.000) 1.382 2.962 ( 0.000 -4.204 0.000) 4.204 3.064 ( 0.000 33.027 0.000) 33.027 3.380 ( 0.000 -16.405 0.000) 16.405 4.045 ( 0.000 -1.853 0.000) 1.853 4.108 ( 0.000 -2.724 0.000) 2.724 4.227 ( 0.000 2.687 0.000) 2.687 4.314 ( 0.000 -1.053 0.000) 1.053 4.324 ( 0.000 -0.611 0.000) 0.611 4.413 ( 0.000 -2.108 0.000) 2.108 4.477 ( 0.000 1.256 0.000) 1.256 4.518 ( 0.000 0.679 0.000) 0.679 4.881 ( 0.000 -5.449 0.000) 5.449 4.919 ( 0.000 2.992 0.000) 2.992 4.991 ( 0.000 1.308 0.000) 1.308 5.573 ( 0.000 9.613 0.000) 9.613 5.596 ( 0.000 0.749 0.000) 0.749 5.640 ( 0.000 10.534 0.000) 10.534 5.736 ( 0.000 1.577 0.000) 1.577 5.799 ( 0.000 10.512 0.000) 10.512 5.910 ( 0.000 2.927 0.000) 2.927 5.994 ( 0.000 -6.205 0.000) 6.205 6.002 ( 0.000 -3.360 0.000) 3.360 6.131 ( 0.000 -0.413 0.000) 0.413 6.447 ( 0.000 -6.914 0.000) 6.914 6.757 ( 0.000 4.388 0.000) 4.388 6.892 ( 0.000 1.057 0.000) 1.057 6.930 ( 0.000 0.858 0.000) 0.858 7.481 ( 0.000 -12.572 0.000) 12.572 19.951 ( 0.000 0.735 0.000) 0.735 19.972 ( 0.000 -0.831 0.000) 0.831 20.011 ( 0.000 1.044 0.000) 1.044 20.027 ( 0.000 3.696 0.000) 3.696 20.031 ( 0.000 0.854 0.000) 0.854 20.098 ( 0.000 1.548 0.000) 1.548 20.156 ( 0.000 -0.946 0.000) 0.946 20.182 ( 0.000 0.185 0.000) 0.185 24.469 ( 0.000 0.092 0.000) 0.092 24.481 ( 0.000 -0.251 0.000) 0.251 25.184 ( 0.000 0.015 0.000) 0.015 25.194 ( 0.000 -0.307 0.000) 0.307 31.452 ( 0.000 -0.374 0.000) 0.374 31.495 ( 0.000 -1.119 0.000) 1.119 31.515 ( 0.000 -0.505 0.000) 0.505 31.519 ( 0.000 -0.613 0.000) 0.613 41.882 ( 0.000 7.925 0.000) 7.925 41.956 ( 0.000 -2.059 0.000) 2.059 42.063 ( 0.000 -4.765 0.000) 4.765 42.088 ( 0.000 1.120 0.000) 1.120 42.804 ( 0.000 9.573 0.000) 9.573 43.975 ( 0.000 26.417 0.000) 26.417 43.982 ( 0.000 -26.579 0.000) 26.579 45.134 ( 0.000 -9.626 0.000) 9.626 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 4.050 18.642 0.000) 19.077 1.673 ( 4.674 22.517 0.000) 22.998 2.164 ( -3.928 -2.585 0.000) 4.702 2.392 ( -2.009 10.133 0.000) 10.331 2.429 ( 4.198 0.770 0.000) 4.268 2.719 ( -9.260 -2.458 0.000) 9.581 2.760 ( -4.673 2.522 0.000) 5.310 2.983 ( 3.309 1.777 0.000) 3.756 2.985 ( 2.068 -3.666 0.000) 4.209 3.079 ( 1.742 31.454 0.000) 31.502 3.426 ( 3.680 -13.271 0.000) 13.772 4.079 ( -4.407 -2.636 0.000) 5.135 4.112 ( 6.153 -1.534 0.000) 6.342 4.218 ( 1.552 1.764 0.000) 2.350 4.299 ( 0.507 0.634 0.000) 0.812 4.396 ( 5.076 -2.311 0.000) 5.577 4.438 ( 4.607 3.713 0.000) 5.917 4.530 ( 1.470 0.075 0.000) 1.472 4.650 ( 12.639 -5.451 0.000) 13.765 4.900 ( 2.608 -5.314 0.000) 5.920 4.914 ( -0.583 2.789 0.000) 2.850 4.993 ( 0.125 1.304 0.000) 1.310 5.532 ( -4.499 3.551 0.000) 5.731 5.601 ( 1.001 6.036 0.000) 6.119 5.644 ( 0.360 10.242 0.000) 10.248 5.753 ( 1.441 1.306 0.000) 1.945 5.802 ( 0.334 10.030 0.000) 10.036 5.911 ( -0.217 1.770 0.000) 1.783 5.958 ( -2.744 -3.610 0.000) 4.534 6.016 ( 0.936 -3.545 0.000) 3.666 6.119 ( -1.228 -0.328 0.000) 1.271 6.414 ( -3.346 -6.185 0.000) 7.032 6.748 ( -0.891 3.778 0.000) 3.881 6.877 ( -1.519 0.539 0.000) 1.612 6.906 ( -2.347 0.622 0.000) 2.428 7.409 ( -7.024 -11.076 0.000) 13.116 19.947 ( -0.246 0.686 0.000) 0.729 19.975 ( 0.252 -0.641 0.000) 0.689 20.005 ( -0.695 0.699 0.000) 0.985 20.021 ( -0.172 2.579 0.000) 2.584 20.035 ( 0.153 2.233 0.000) 2.238 20.089 ( -0.782 1.873 0.000) 2.030 20.163 ( 0.584 -0.936 0.000) 1.104 20.187 ( 0.452 0.137 0.000) 0.472 24.510 ( 4.058 -0.277 0.000) 4.067 24.516 ( 3.498 -0.239 0.000) 3.506 25.164 ( -1.970 0.001 0.000) 1.970 25.175 ( -1.946 -0.320 0.000) 1.972 31.454 ( 0.149 -0.343 0.000) 0.374 31.498 ( 0.228 -1.109 0.000) 1.132 31.506 ( -0.753 -0.331 0.000) 0.822 31.519 ( -0.063 -0.653 0.000) 0.656 41.950 ( 6.941 8.326 0.000) 10.840 41.985 ( 2.886 -1.685 0.000) 3.342 42.127 ( 6.478 -5.504 0.000) 8.501 42.151 ( 6.372 1.580 0.000) 6.565 42.771 ( -3.338 9.247 0.000) 9.831 43.886 ( -8.849 25.266 0.000) 26.771 43.901 ( -8.090 -25.456 0.000) 26.711 44.901 ( -22.331 -4.020 0.000) 22.690 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 6.510 14.759 0.000) 16.131 1.795 ( 7.236 19.542 0.000) 20.839 2.079 ( -4.222 0.007 0.000) 4.222 2.298 ( -5.227 8.168 0.000) 9.697 2.451 ( -11.398 -0.535 0.000) 11.411 2.646 ( -6.858 4.501 0.000) 8.203 2.650 ( 10.528 -0.316 0.000) 10.533 3.035 ( 2.902 -3.100 0.000) 4.246 3.052 ( 3.320 1.018 0.000) 3.473 3.143 ( 4.933 27.043 0.000) 27.489 3.486 ( 1.807 -6.954 0.000) 7.185 3.907 ( -12.301 -1.536 0.000) 12.397 4.267 ( 9.272 -0.879 0.000) 9.314 4.326 ( 7.909 0.020 0.000) 7.909 4.331 ( 2.513 1.883 0.000) 3.140 4.506 ( 5.825 -3.414 0.000) 6.752 4.531 ( 3.228 4.282 0.000) 5.363 4.622 ( 9.044 1.012 0.000) 9.100 4.819 ( 3.229 -7.198 0.000) 7.889 4.891 ( -1.918 1.979 0.000) 2.756 4.991 ( -0.411 1.073 0.000) 1.149 5.053 ( 12.955 -7.519 0.000) 14.979 5.411 ( -7.676 2.461 0.000) 8.061 5.621 ( 0.587 4.204 0.000) 4.245 5.653 ( 0.567 9.572 0.000) 9.588 5.773 ( -0.669 -0.590 0.000) 0.892 5.819 ( 1.732 8.422 0.000) 8.598 5.872 ( -1.963 -1.303 0.000) 2.356 5.944 ( 1.252 2.960 0.000) 3.214 6.036 ( 0.954 -1.642 0.000) 1.899 6.084 ( -2.260 -0.122 0.000) 2.263 6.324 ( -5.557 -4.383 0.000) 7.078 6.726 ( -1.189 2.163 0.000) 2.468 6.834 ( -2.739 -0.529 0.000) 2.790 6.848 ( -3.235 -0.130 0.000) 3.237 7.226 ( -10.978 -7.788 0.000) 13.460 19.945 ( -0.002 0.730 0.000) 0.730 19.980 ( 0.217 -0.348 0.000) 0.411 19.988 ( -0.942 0.887 0.000) 1.294 20.018 ( -0.300 0.788 0.000) 0.843 20.038 ( 0.147 3.609 0.000) 3.612 20.073 ( -0.807 2.496 0.000) 2.623 20.177 ( 0.824 -0.908 0.000) 1.226 20.197 ( 0.506 -0.031 0.000) 0.507 24.612 ( 6.115 -0.213 0.000) 6.119 24.617 ( 6.580 -0.844 0.000) 6.634 25.107 ( -3.861 -0.067 0.000) 3.862 25.118 ( -3.937 -0.355 0.000) 3.953 31.458 ( 0.240 -0.271 0.000) 0.362 31.490 ( -0.823 -0.105 0.000) 0.830 31.503 ( 0.310 -1.070 0.000) 1.114 31.517 ( -0.106 -0.712 0.000) 0.720 42.068 ( 5.491 -0.664 0.000) 5.531 42.150 ( 13.340 9.323 0.000) 16.275 42.311 ( 12.062 -7.596 0.000) 14.255 42.334 ( 12.017 2.735 0.000) 12.324 42.681 ( -5.520 8.648 0.000) 10.260 43.641 ( -15.779 22.232 0.000) 27.262 43.677 ( -14.302 -22.299 0.000) 26.492 44.344 ( -32.241 5.543 0.000) 32.714 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 9.589 9.373 0.000) 13.409 1.918 ( 3.796 13.609 0.000) 14.129 2.015 ( -2.003 2.882 0.000) 3.510 2.184 ( -12.778 0.896 0.000) 12.809 2.240 ( -0.502 8.083 0.000) 8.099 2.494 ( -8.470 7.653 0.000) 11.415 2.926 ( 15.755 4.771 0.000) 16.461 3.092 ( 3.030 -6.407 0.000) 7.087 3.101 ( 1.509 1.019 0.000) 1.821 3.265 ( 6.996 19.682 0.000) 20.888 3.483 ( -2.245 1.422 0.000) 2.657 3.622 ( -16.249 -2.064 0.000) 16.380 4.387 ( 2.870 2.735 0.000) 3.964 4.426 ( 3.440 2.616 0.000) 4.322 4.480 ( 9.406 -1.052 0.000) 9.465 4.609 ( 4.282 -3.406 0.000) 5.471 4.621 ( 6.343 0.058 0.000) 6.343 4.815 ( 7.232 -1.694 0.000) 7.428 4.830 ( -4.535 0.128 0.000) 4.537 4.861 ( 4.804 -0.923 0.000) 4.892 4.966 ( -2.557 0.006 0.000) 2.557 5.240 ( -9.502 3.081 0.000) 9.989 5.300 ( 10.995 -8.919 0.000) 14.157 5.596 ( -3.908 -5.164 0.000) 6.476 5.666 ( 0.746 8.986 0.000) 9.017 5.716 ( -2.859 5.104 0.000) 5.850 5.878 ( 4.236 5.677 0.000) 7.083 5.896 ( 3.113 0.748 0.000) 3.202 5.986 ( 2.726 2.887 0.000) 3.971 6.032 ( -2.975 -0.093 0.000) 2.976 6.043 ( -0.244 0.348 0.000) 0.425 6.206 ( -6.229 -1.970 0.000) 6.533 6.710 ( -0.164 0.211 0.000) 0.267 6.776 ( -2.988 -1.310 0.000) 3.262 6.802 ( -0.642 -1.330 0.000) 1.477 7.008 ( -10.438 -4.679 0.000) 11.438 19.948 ( 0.330 0.767 0.000) 0.836 19.970 ( -0.803 0.895 0.000) 1.203 19.985 ( 0.366 -0.046 0.000) 0.369 20.008 ( -0.647 0.123 0.000) 0.658 20.043 ( 0.337 3.909 0.000) 3.923 20.059 ( -0.558 3.031 0.000) 3.082 20.192 ( 0.707 -0.800 0.000) 1.067 20.204 ( 0.177 -0.298 0.000) 0.346 24.746 ( 7.315 -0.192 0.000) 7.318 24.756 ( 7.359 -0.990 0.000) 7.425 25.014 ( -5.633 -0.177 0.000) 5.635 25.022 ( -5.723 -0.462 0.000) 5.741 31.463 ( 0.264 -0.192 0.000) 0.326 31.476 ( -0.534 -0.054 0.000) 0.537 31.509 ( 0.242 -0.994 0.000) 1.023 31.515 ( -0.097 -0.795 0.000) 0.800 42.195 ( 7.347 0.812 0.000) 7.392 42.433 ( 8.701 5.954 0.000) 10.543 42.539 ( 6.408 8.504 0.000) 10.648 42.587 ( 15.669 -10.700 0.000) 18.974 42.669 ( 13.158 7.955 0.000) 15.375 43.288 ( -19.693 18.413 0.000) 26.960 43.366 ( -16.529 -17.050 0.000) 23.747 43.712 ( -30.899 10.410 0.000) 32.606 ======================= Grid point 31 (20/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -10.187 4.897 0.000) 11.303 1.859 ( 10.187 4.897 0.000) 11.303 2.011 ( -2.401 6.127 0.000) 6.581 2.011 ( 2.401 6.127 0.000) 6.581 2.328 ( -7.808 9.565 0.000) 12.347 2.328 ( 7.808 9.565 0.000) 12.347 3.105 ( -1.375 5.257 0.000) 5.434 3.105 ( 1.375 5.257 0.000) 5.434 3.281 ( -16.235 -6.503 0.000) 17.489 3.281 ( 16.235 -6.503 0.000) 17.489 3.404 ( -5.091 10.762 0.000) 11.906 3.404 ( 5.091 10.762 0.000) 11.906 4.433 ( -1.506 3.110 0.000) 3.455 4.433 ( 1.506 3.110 0.000) 3.455 4.637 ( -3.624 -0.230 0.000) 3.631 4.637 ( 3.624 -0.230 0.000) 3.631 4.725 ( -4.811 -3.292 0.000) 5.829 4.725 ( 4.811 -3.292 0.000) 5.829 4.890 ( -4.432 -3.109 0.000) 5.414 4.890 ( 4.432 -3.109 0.000) 5.414 5.047 ( -10.189 4.293 0.000) 11.057 5.047 ( 10.189 4.293 0.000) 11.057 5.478 ( -7.516 -8.768 0.000) 11.548 5.478 ( 7.516 -8.768 0.000) 11.548 5.683 ( -1.042 8.705 0.000) 8.767 5.683 ( 1.042 8.705 0.000) 8.767 5.953 ( -0.263 3.663 0.000) 3.673 5.953 ( 0.263 3.663 0.000) 3.673 5.984 ( -0.855 -0.772 0.000) 1.152 5.984 ( 0.855 -0.772 0.000) 1.152 6.091 ( -5.175 0.782 0.000) 5.233 6.091 ( 5.175 0.782 0.000) 5.233 6.727 ( -1.855 -1.134 0.000) 2.174 6.727 ( 1.855 -1.134 0.000) 2.174 6.847 ( -5.465 -2.676 0.000) 6.085 6.847 ( 5.465 -2.676 0.000) 6.085 19.957 ( -0.581 0.817 0.000) 1.003 19.957 ( 0.581 0.817 0.000) 1.003 19.995 ( -0.626 0.099 0.000) 0.634 19.995 ( 0.626 0.099 0.000) 0.634 20.050 ( -0.420 3.507 0.000) 3.532 20.050 ( 0.420 3.507 0.000) 3.532 20.203 ( -0.310 -0.583 0.000) 0.660 20.203 ( 0.310 -0.583 0.000) 0.660 24.889 ( -7.031 -0.195 0.000) 7.033 24.889 ( 7.031 -0.195 0.000) 7.033 24.898 ( -6.910 -0.754 0.000) 6.951 24.898 ( 6.910 -0.754 0.000) 6.951 31.468 ( -0.319 -0.113 0.000) 0.338 31.468 ( 0.319 -0.113 0.000) 0.338 31.513 ( -0.138 -0.894 0.000) 0.905 31.513 ( 0.138 -0.894 0.000) 0.905 42.347 ( -7.841 2.341 0.000) 8.183 42.347 ( 7.841 2.341 0.000) 8.183 42.843 ( -3.658 -1.570 0.000) 3.981 42.843 ( 3.658 -1.570 0.000) 3.981 42.912 ( -10.226 7.512 0.000) 12.689 42.912 ( 10.226 7.512 0.000) 12.689 43.213 ( -13.796 4.785 0.000) 14.602 43.213 ( 13.796 4.785 0.000) 14.602 ======================= Grid point 36 (21/100) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.000 17.062 0.000) 17.062 2.044 ( 0.000 -11.465 0.000) 11.465 2.078 ( 0.000 18.811 0.000) 18.811 2.337 ( 0.000 -4.663 0.000) 4.663 2.709 ( 0.000 11.002 0.000) 11.002 2.784 ( 0.000 1.510 0.000) 1.510 2.811 ( 0.000 -7.501 0.000) 7.501 2.850 ( 0.000 2.574 0.000) 2.574 2.914 ( 0.000 -3.035 0.000) 3.035 3.045 ( 0.000 -15.403 0.000) 15.403 3.677 ( 0.000 22.981 0.000) 22.981 3.977 ( 0.000 -6.141 0.000) 6.141 4.083 ( 0.000 0.743 0.000) 0.743 4.168 ( 0.000 -6.794 0.000) 6.794 4.314 ( 0.000 0.555 0.000) 0.555 4.321 ( 0.000 -0.030 0.000) 0.030 4.436 ( 0.000 3.015 0.000) 3.015 4.481 ( 0.000 -0.989 0.000) 0.989 4.584 ( 0.000 5.532 0.000) 5.532 4.733 ( 0.000 -8.007 0.000) 8.007 4.956 ( 0.000 1.187 0.000) 1.187 4.983 ( 0.000 -1.329 0.000) 1.329 5.611 ( 0.000 1.026 0.000) 1.026 5.641 ( 0.000 -1.214 0.000) 1.214 5.821 ( 0.000 4.083 0.000) 4.083 5.842 ( 0.000 8.286 0.000) 8.286 5.888 ( 0.000 -3.081 0.000) 3.081 5.947 ( 0.000 0.467 0.000) 0.467 5.951 ( 0.000 1.992 0.000) 1.992 5.990 ( 0.000 -0.207 0.000) 0.207 6.146 ( 0.000 4.527 0.000) 4.527 6.294 ( 0.000 -7.706 0.000) 7.706 6.855 ( 0.000 4.330 0.000) 4.330 6.921 ( 0.000 -1.816 0.000) 1.816 6.986 ( 0.000 8.014 0.000) 8.014 7.210 ( 0.000 -12.629 0.000) 12.629 19.960 ( 0.000 0.150 0.000) 0.150 19.962 ( 0.000 -0.189 0.000) 0.189 20.024 ( 0.000 0.580 0.000) 0.580 20.034 ( 0.000 -0.292 0.000) 0.292 20.110 ( 0.000 3.624 0.000) 3.624 20.125 ( 0.000 1.041 0.000) 1.041 20.142 ( 0.000 -0.613 0.000) 0.613 20.168 ( 0.000 -1.728 0.000) 1.728 24.472 ( 0.000 0.164 0.000) 0.164 24.476 ( 0.000 -0.227 0.000) 0.227 25.185 ( 0.000 0.114 0.000) 0.114 25.189 ( 0.000 -0.227 0.000) 0.227 31.454 ( 0.000 0.549 0.000) 0.549 31.472 ( 0.000 -1.057 0.000) 1.057 31.508 ( 0.000 -0.150 0.000) 0.150 31.509 ( 0.000 -0.287 0.000) 0.287 41.940 ( 0.000 0.528 0.000) 0.528 41.978 ( 0.000 -3.106 0.000) 3.106 42.018 ( 0.000 4.863 0.000) 4.863 42.084 ( 0.000 -1.586 0.000) 1.586 43.069 ( 0.000 15.777 0.000) 15.777 43.466 ( 0.000 -22.152 0.000) 22.152 44.483 ( 0.000 21.760 0.000) 21.760 44.873 ( 0.000 -15.490 0.000) 15.490 ======================= Grid point 37 (22/100) ======================= q-point: ( 0.12 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.346 15.797 0.000) 15.854 2.032 ( -1.226 -10.063 0.000) 10.137 2.113 ( 3.350 18.848 0.000) 19.144 2.392 ( 5.546 -5.942 0.000) 8.128 2.580 ( -8.988 4.451 0.000) 10.030 2.639 ( -10.246 -3.712 0.000) 10.897 2.825 ( -2.208 4.161 0.000) 4.710 2.924 ( 0.879 -4.737 0.000) 4.818 2.937 ( 7.304 3.543 0.000) 8.118 3.144 ( 7.575 -13.168 0.000) 15.192 3.666 ( -1.162 22.044 0.000) 22.075 3.979 ( -2.232 -8.458 0.000) 8.748 4.113 ( 4.775 2.256 0.000) 5.281 4.193 ( 3.418 -4.185 0.000) 5.403 4.329 ( 2.011 1.785 0.000) 2.689 4.362 ( 3.494 -1.316 0.000) 3.734 4.500 ( 5.660 2.437 0.000) 6.163 4.562 ( 6.363 -3.167 0.000) 7.108 4.601 ( 2.694 6.389 0.000) 6.933 4.757 ( 3.064 -7.822 0.000) 8.401 4.951 ( -0.564 1.375 0.000) 1.487 4.983 ( -0.092 -1.516 0.000) 1.519 5.571 ( -3.950 1.824 0.000) 4.351 5.623 ( -2.050 -2.677 0.000) 3.372 5.831 ( 0.891 3.592 0.000) 3.701 5.839 ( -0.248 7.996 0.000) 7.999 5.889 ( -0.132 -2.203 0.000) 2.207 5.940 ( -0.621 0.401 0.000) 0.739 5.949 ( 0.365 2.530 0.000) 2.556 5.997 ( 0.752 -0.552 0.000) 0.933 6.134 ( -1.215 4.230 0.000) 4.401 6.273 ( -2.116 -7.226 0.000) 7.529 6.836 ( -1.880 3.981 0.000) 4.402 6.897 ( -2.390 -1.667 0.000) 2.914 6.959 ( -2.658 7.332 0.000) 7.798 7.165 ( -4.466 -11.557 0.000) 12.390 19.958 ( -0.059 0.388 0.000) 0.392 19.966 ( 0.266 -0.378 0.000) 0.462 20.019 ( -0.553 0.629 0.000) 0.837 20.029 ( -0.474 -0.316 0.000) 0.570 20.113 ( 0.268 3.615 0.000) 3.625 20.124 ( -0.156 1.363 0.000) 1.372 20.146 ( 0.375 -0.827 0.000) 0.908 20.171 ( 0.319 -1.783 0.000) 1.811 24.508 ( 3.663 0.052 0.000) 3.663 24.511 ( 3.539 -0.193 0.000) 3.544 25.166 ( -1.985 0.120 0.000) 1.988 25.169 ( -1.969 -0.241 0.000) 1.984 31.457 ( 0.207 0.573 0.000) 0.610 31.475 ( 0.236 -1.063 0.000) 1.089 31.503 ( -0.443 0.026 0.000) 0.443 31.507 ( -0.186 -0.403 0.000) 0.443 41.977 ( 3.784 1.030 0.000) 3.922 42.028 ( 4.997 -3.761 0.000) 6.254 42.090 ( 7.362 4.892 0.000) 8.839 42.154 ( 7.109 -1.337 0.000) 7.233 43.026 ( -4.247 15.172 0.000) 15.755 43.407 ( -5.892 -21.215 0.000) 22.018 44.368 ( -11.454 20.303 0.000) 23.311 44.719 ( -15.208 -12.999 0.000) 20.007 ======================= Grid point 38 (23/100) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 2.163 12.777 0.000) 12.959 2.004 ( -1.234 -7.204 0.000) 7.309 2.185 ( 2.481 16.987 0.000) 17.167 2.398 ( -10.220 -0.296 0.000) 10.225 2.441 ( -6.872 0.514 0.000) 6.891 2.546 ( 9.216 -8.995 0.000) 12.878 2.773 ( -3.081 7.564 0.000) 8.167 2.945 ( 1.002 -8.049 0.000) 8.111 3.078 ( 7.192 7.803 0.000) 10.612 3.294 ( 7.305 -10.930 0.000) 13.147 3.632 ( -2.223 17.559 0.000) 17.699 3.862 ( -8.980 -4.925 0.000) 10.242 4.271 ( 10.313 1.557 0.000) 10.429 4.317 ( 8.743 -1.592 0.000) 8.887 4.387 ( 3.673 3.026 0.000) 4.759 4.446 ( 4.833 -2.591 0.000) 5.484 4.575 ( 1.563 1.493 0.000) 2.162 4.650 ( 2.971 -4.450 0.000) 5.351 4.740 ( 9.941 5.632 0.000) 11.426 4.894 ( 10.676 -7.736 0.000) 13.184 4.927 ( -2.164 1.872 0.000) 2.861 4.973 ( -1.193 -2.177 0.000) 2.482 5.464 ( -6.782 3.079 0.000) 7.448 5.553 ( -5.107 -5.445 0.000) 7.465 5.833 ( -0.320 7.268 0.000) 7.275 5.852 ( 0.916 3.319 0.000) 3.443 5.880 ( -0.248 0.546 0.000) 0.600 5.927 ( -0.556 -0.161 0.000) 0.579 5.978 ( 2.353 1.691 0.000) 2.897 6.017 ( 1.172 -1.006 0.000) 1.544 6.101 ( -2.018 3.665 0.000) 4.184 6.217 ( -3.425 -5.864 0.000) 6.791 6.788 ( -2.766 3.103 0.000) 4.157 6.836 ( -3.458 -1.319 0.000) 3.701 6.889 ( -4.298 5.611 0.000) 7.068 7.047 ( -7.186 -8.761 0.000) 11.331 19.959 ( 0.172 0.656 0.000) 0.678 19.971 ( 0.331 -0.521 0.000) 0.617 20.005 ( -0.805 0.750 0.000) 1.100 20.018 ( -0.686 -0.419 0.000) 0.804 20.119 ( 0.255 3.603 0.000) 3.612 20.121 ( -0.074 2.040 0.000) 2.041 20.156 ( 0.585 -1.271 0.000) 1.399 20.178 ( 0.296 -1.906 0.000) 1.929 24.608 ( 6.244 -0.138 0.000) 6.245 24.608 ( 6.196 -0.140 0.000) 6.198 25.107 ( -3.941 0.104 0.000) 3.942 25.111 ( -3.961 -0.254 0.000) 3.969 31.462 ( 0.320 0.628 0.000) 0.705 31.481 ( 0.348 -1.066 0.000) 1.122 31.492 ( -0.558 0.339 0.000) 0.652 31.503 ( -0.264 -0.614 0.000) 0.668 42.085 ( 7.108 2.429 0.000) 7.511 42.170 ( 9.326 -5.608 0.000) 10.882 42.299 ( 13.597 4.867 0.000) 14.442 42.356 ( 13.174 -0.659 0.000) 13.190 42.913 ( -6.722 13.465 0.000) 15.050 43.246 ( -10.060 -18.452 0.000) 21.016 44.055 ( -19.895 16.686 0.000) 25.966 44.314 ( -25.011 -7.575 0.000) 26.133 ======================= Grid point 39 (24/100) ======================= q-point: ( 0.38 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 4.477 9.020 0.000) 10.070 1.999 ( 1.024 -4.363 0.000) 4.482 2.130 ( -7.208 5.836 0.000) 9.275 2.191 ( -9.455 -0.745 0.000) 9.484 2.448 ( 5.723 12.636 0.000) 13.872 2.697 ( -4.924 11.406 0.000) 12.423 2.738 ( 9.526 -14.030 0.000) 16.958 2.949 ( -1.018 -11.774 0.000) 11.818 3.228 ( 8.411 10.679 0.000) 13.594 3.423 ( 5.828 -6.905 0.000) 9.036 3.581 ( -3.200 9.432 0.000) 9.960 3.654 ( -11.442 1.477 0.000) 11.537 4.461 ( 3.547 3.939 0.000) 5.301 4.484 ( 6.989 1.739 0.000) 7.202 4.492 ( 10.638 1.960 0.000) 10.817 4.539 ( 4.384 -3.422 0.000) 5.561 4.604 ( 2.140 -0.167 0.000) 2.147 4.684 ( 2.001 -6.845 0.000) 7.132 4.854 ( -5.553 2.431 0.000) 6.062 4.922 ( -4.351 -3.452 0.000) 5.553 4.953 ( 10.914 6.632 0.000) 12.771 5.114 ( 10.633 -8.528 0.000) 13.630 5.316 ( -8.109 4.313 0.000) 9.184 5.433 ( -6.756 -7.164 0.000) 9.847 5.829 ( 0.001 6.477 0.000) 6.477 5.849 ( -0.735 4.757 0.000) 4.813 5.902 ( 1.887 -0.627 0.000) 1.988 5.925 ( 0.460 -2.064 0.000) 2.115 6.026 ( 1.547 0.955 0.000) 1.818 6.039 ( 1.536 -0.519 0.000) 1.621 6.059 ( -2.122 3.706 0.000) 4.271 6.148 ( -3.405 -3.831 0.000) 5.126 6.742 ( -1.470 2.266 0.000) 2.701 6.782 ( -1.469 -1.258 0.000) 1.934 6.803 ( -4.086 3.635 0.000) 5.469 6.903 ( -6.920 -5.295 0.000) 8.714 19.964 ( 0.425 0.800 0.000) 0.906 19.979 ( 0.477 -0.538 0.000) 0.719 19.989 ( -0.786 0.843 0.000) 1.153 20.004 ( -0.725 -0.509 0.000) 0.885 20.121 ( 0.055 2.705 0.000) 2.706 20.122 ( 0.086 3.500 0.000) 3.501 20.168 ( 0.590 -1.693 0.000) 1.793 20.181 ( -0.008 -1.996 0.000) 1.996 24.743 ( 7.334 -0.076 0.000) 7.335 24.744 ( 7.375 -0.258 0.000) 7.379 25.012 ( -5.739 0.034 0.000) 5.739 25.015 ( -5.797 -0.245 0.000) 5.802 31.468 ( 0.331 0.675 0.000) 0.752 31.482 ( -0.444 0.577 0.000) 0.728 31.487 ( 0.321 -1.041 0.000) 1.089 31.498 ( -0.245 -0.820 0.000) 0.856 42.249 ( 9.382 4.490 0.000) 10.401 42.384 ( 12.218 -8.359 0.000) 14.804 42.542 ( 4.383 5.605 0.000) 7.116 42.635 ( 13.080 -1.412 0.000) 13.156 42.844 ( 5.362 9.400 0.000) 10.821 43.059 ( -5.547 -11.924 0.000) 13.151 43.619 ( -23.744 12.558 0.000) 26.860 43.786 ( -27.768 -2.781 0.000) 27.906 ======================= Grid point 40 (25/100) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -7.687 5.355 0.000) 9.368 1.972 ( 7.687 5.355 0.000) 9.368 2.054 ( -4.761 -1.699 0.000) 5.055 2.054 ( 4.761 -1.699 0.000) 5.055 2.580 ( -6.832 13.970 0.000) 15.551 2.580 ( 6.832 13.970 0.000) 15.551 2.889 ( -5.407 -15.086 0.000) 16.025 2.889 ( 5.407 -15.086 0.000) 16.025 3.418 ( -10.972 8.724 0.000) 14.017 3.418 ( 10.972 8.724 0.000) 14.017 3.521 ( -4.178 -0.046 0.000) 4.178 3.521 ( 4.178 -0.046 0.000) 4.178 4.514 ( -1.497 4.399 0.000) 4.646 4.514 ( 1.497 4.399 0.000) 4.646 4.607 ( -2.144 -3.909 0.000) 4.459 4.607 ( 2.144 -3.909 0.000) 4.459 4.704 ( -9.543 2.865 0.000) 9.964 4.704 ( 9.543 2.865 0.000) 9.964 4.798 ( -7.860 -5.168 0.000) 9.407 4.798 ( 7.860 -5.168 0.000) 9.407 5.149 ( -9.068 5.696 0.000) 10.708 5.149 ( 9.068 5.696 0.000) 10.708 5.293 ( -7.794 -8.134 0.000) 11.265 5.293 ( 7.794 -8.134 0.000) 11.265 5.835 ( -0.578 5.809 0.000) 5.837 5.835 ( 0.578 5.809 0.000) 5.837 5.931 ( -0.563 -3.486 0.000) 3.531 5.931 ( 0.563 -3.486 0.000) 3.531 6.031 ( -0.403 3.346 0.000) 3.370 6.031 ( 0.403 3.346 0.000) 3.370 6.087 ( -2.782 -1.580 0.000) 3.199 6.087 ( 2.782 -1.580 0.000) 3.199 6.743 ( -1.709 2.315 0.000) 2.877 6.743 ( 1.709 2.315 0.000) 2.877 6.798 ( -3.316 -2.465 0.000) 4.132 6.798 ( 3.316 -2.465 0.000) 4.132 19.975 ( -0.638 0.858 0.000) 1.069 19.975 ( 0.638 0.858 0.000) 1.069 19.990 ( -0.642 -0.534 0.000) 0.835 19.990 ( 0.642 -0.534 0.000) 0.835 20.122 ( -0.055 3.207 0.000) 3.208 20.122 ( 0.055 3.207 0.000) 3.208 20.177 ( -0.367 -1.945 0.000) 1.979 20.177 ( 0.367 -1.945 0.000) 1.979 24.886 ( -7.049 -0.043 0.000) 7.050 24.886 ( 7.049 -0.043 0.000) 7.050 24.888 ( -7.083 -0.247 0.000) 7.087 24.888 ( 7.083 -0.247 0.000) 7.087 31.475 ( -0.341 0.676 0.000) 0.757 31.475 ( 0.341 0.676 0.000) 0.757 31.493 ( -0.255 -0.964 0.000) 0.997 31.493 ( 0.255 -0.964 0.000) 0.997 42.439 ( -9.445 6.654 0.000) 11.554 42.439 ( 9.445 6.654 0.000) 11.554 42.625 ( -11.071 -10.907 0.000) 15.541 42.625 ( 11.071 -10.907 0.000) 15.541 43.158 ( -22.271 9.513 0.000) 24.218 43.158 ( 22.271 9.513 0.000) 24.218 43.272 ( -23.141 -1.051 0.000) 23.165 43.272 ( 23.141 -1.051 0.000) 23.165 ======================= Grid point 81 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 0.000 21.631) 21.631 0.441 ( 0.000 0.000 23.465) 23.465 0.909 ( 0.000 0.000 48.051) 48.051 1.973 ( 0.000 0.000 -14.959) 14.959 2.015 ( 0.000 0.000 -18.441) 18.441 2.468 ( 0.000 0.000 13.148) 13.148 2.535 ( 0.000 0.000 8.993) 8.993 2.675 ( 0.000 0.000 1.357) 1.357 2.801 ( 0.000 0.000 -1.105) 1.105 3.009 ( 0.000 0.000 6.135) 6.135 3.935 ( 0.000 0.000 -19.123) 19.123 3.987 ( 0.000 0.000 -10.535) 10.535 4.004 ( 0.000 0.000 -3.795) 3.795 4.084 ( 0.000 0.000 -4.716) 4.716 4.415 ( 0.000 0.000 1.012) 1.012 4.418 ( 0.000 0.000 5.254) 5.254 4.499 ( 0.000 0.000 -1.175) 1.175 4.640 ( 0.000 0.000 1.512) 1.512 4.682 ( 0.000 0.000 -0.519) 0.519 4.703 ( 0.000 0.000 2.824) 2.824 4.831 ( 0.000 0.000 3.331) 3.331 5.009 ( 0.000 0.000 -1.323) 1.323 5.090 ( 0.000 0.000 2.283) 2.283 5.204 ( 0.000 0.000 6.969) 6.969 5.287 ( 0.000 0.000 0.461) 0.461 5.405 ( 0.000 0.000 0.752) 0.752 5.616 ( 0.000 0.000 -4.428) 4.428 5.744 ( 0.000 0.000 7.455) 7.455 6.004 ( 0.000 0.000 -4.573) 4.573 6.063 ( 0.000 0.000 3.313) 3.313 6.473 ( 0.000 0.000 -2.740) 2.740 6.575 ( 0.000 0.000 -9.404) 9.404 6.836 ( 0.000 0.000 4.341) 4.341 6.907 ( 0.000 0.000 7.119) 7.119 7.046 ( 0.000 0.000 2.600) 2.600 7.917 ( 0.000 0.000 -6.303) 6.303 19.861 ( 0.000 0.000 0.266) 0.266 19.887 ( 0.000 0.000 -0.152) 0.152 19.914 ( 0.000 0.000 1.948) 1.948 19.961 ( 0.000 0.000 0.309) 0.309 20.001 ( 0.000 0.000 -0.335) 0.335 20.090 ( 0.000 0.000 1.165) 1.165 20.156 ( 0.000 0.000 -2.084) 2.084 20.261 ( 0.000 0.000 -1.492) 1.492 24.469 ( 0.000 0.000 0.167) 0.167 24.489 ( 0.000 0.000 -0.165) 0.165 25.187 ( 0.000 0.000 0.116) 0.116 25.207 ( 0.000 0.000 -0.213) 0.213 31.507 ( 0.000 0.000 0.073) 0.073 31.534 ( 0.000 0.000 -0.351) 0.351 31.544 ( 0.000 0.000 0.130) 0.130 31.550 ( 0.000 0.000 0.025) 0.025 41.513 ( 0.000 0.000 3.107) 3.107 41.898 ( 0.000 0.000 -3.152) 3.152 42.217 ( 0.000 0.000 1.094) 1.094 42.282 ( 0.000 0.000 0.017) 0.017 42.604 ( 0.000 0.000 0.610) 0.610 42.676 ( 0.000 0.000 -0.568) 0.568 45.165 ( 0.000 0.000 1.823) 1.823 45.390 ( 0.000 0.000 -1.820) 1.820 ======================= Grid point 82 (27/100) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 16.147 0.000 14.154) 21.472 0.647 ( 16.998 0.000 13.697) 21.830 1.117 ( 19.520 0.000 37.643) 42.403 1.928 ( -3.996 0.000 -12.928) 13.532 2.030 ( 1.451 0.000 -17.546) 17.606 2.344 ( -9.640 0.000 10.799) 14.476 2.507 ( -2.908 0.000 7.467) 8.013 2.605 ( -6.779 0.000 2.035) 7.078 2.815 ( -4.805 0.000 -3.768) 6.106 3.047 ( 7.850 0.000 7.571) 10.906 3.876 ( -7.979 0.000 -8.755) 11.845 3.969 ( -0.411 0.000 -18.815) 18.819 4.066 ( 5.995 0.000 -3.651) 7.019 4.137 ( 5.151 0.000 -4.624) 6.922 4.409 ( 2.826 0.000 0.609) 2.891 4.447 ( 2.732 0.000 5.134) 5.816 4.540 ( 2.019 0.000 2.205) 2.989 4.649 ( 0.839 0.000 1.683) 1.881 4.707 ( 0.588 0.000 1.864) 1.954 4.774 ( 6.943 0.000 3.892) 7.959 5.012 ( 0.833 0.000 -2.065) 2.227 5.093 ( 0.221 0.000 2.397) 2.407 5.204 ( -0.103 0.000 7.012) 7.012 5.286 ( 27.298 0.000 -19.560) 33.582 5.299 ( 1.511 0.000 0.516) 1.597 5.404 ( 0.013 0.000 0.431) 0.432 5.629 ( 1.229 0.000 -4.327) 4.498 5.719 ( -2.028 0.000 7.552) 7.819 5.986 ( -2.046 0.000 -2.945) 3.586 6.032 ( -2.787 0.000 1.621) 3.224 6.421 ( -5.245 0.000 -2.629) 5.867 6.553 ( -2.796 0.000 -8.172) 8.637 6.837 ( 0.893 0.000 2.890) 3.025 6.909 ( -0.171 0.000 7.756) 7.758 7.031 ( -1.325 0.000 0.839) 1.568 7.653 ( -17.745 0.000 6.320) 18.837 19.865 ( 0.364 0.000 0.269) 0.453 19.892 ( 0.442 0.000 -0.163) 0.471 19.917 ( 0.333 0.000 1.898) 1.927 19.957 ( -0.384 0.000 0.309) 0.493 19.996 ( -0.438 0.000 -0.327) 0.546 20.047 ( -2.404 0.000 2.815) 3.702 20.160 ( 0.305 0.000 -1.978) 2.002 20.254 ( -0.651 0.000 -1.673) 1.796 24.524 ( 3.517 0.000 -0.110) 3.519 24.600 ( 8.465 0.000 -6.592) 10.729 25.168 ( -1.859 0.000 0.096) 1.862 25.188 ( -1.868 0.000 -0.227) 1.881 31.507 ( 0.016 0.000 0.023) 0.029 31.531 ( -0.273 0.000 -0.677) 0.730 31.542 ( -0.013 0.000 -0.190) 0.190 31.549 ( -0.123 0.000 -0.118) 0.170 41.550 ( 3.691 0.000 3.068) 4.800 41.930 ( 3.226 0.000 -3.124) 4.491 42.234 ( 1.936 0.000 1.879) 2.698 42.372 ( 9.058 0.000 -0.419) 9.068 42.547 ( -5.381 0.000 0.953) 5.464 42.660 ( -2.011 0.000 -0.899) 2.203 44.082 ( -72.017 0.000 72.050) 101.871 45.029 ( -14.097 0.000 1.172) 14.146 ======================= Grid point 83 (28/100) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 19.628 0.000 7.691) 21.081 1.018 ( 19.789 0.000 5.873) 20.642 1.578 ( 24.793 0.000 21.173) 32.604 1.859 ( -0.900 0.000 -6.988) 7.046 2.067 ( 1.998 0.000 -15.175) 15.306 2.143 ( -10.590 0.000 7.729) 13.110 2.388 ( -10.516 0.000 2.382) 10.782 2.464 ( -5.455 0.000 5.155) 7.506 2.620 ( -13.417 0.000 -4.032) 14.010 3.257 ( 10.822 0.000 3.631) 11.415 3.642 ( -14.591 0.000 -3.206) 14.939 3.954 ( -1.628 0.000 -17.185) 17.262 4.217 ( 8.704 0.000 -3.437) 9.358 4.266 ( 7.411 0.000 -4.465) 8.653 4.481 ( 3.631 0.000 1.958) 4.126 4.514 ( 3.764 0.000 4.873) 6.157 4.593 ( 2.593 0.000 2.335) 3.489 4.667 ( 0.714 0.000 2.027) 2.149 4.740 ( 3.530 0.000 1.205) 3.730 4.935 ( 8.758 0.000 8.166) 11.975 5.033 ( 1.476 0.000 -3.386) 3.694 5.098 ( 0.350 0.000 3.007) 3.028 5.195 ( -0.837 0.000 6.803) 6.854 5.359 ( 4.762 0.000 0.433) 4.782 5.414 ( 1.325 0.000 0.011) 1.325 5.556 ( -1.011 0.000 2.123) 2.351 5.657 ( 1.313 0.000 -3.980) 4.191 5.761 ( 9.028 0.000 -2.964) 9.502 5.909 ( -5.547 0.000 1.940) 5.877 5.979 ( -2.458 0.000 -3.635) 4.388 6.274 ( -9.560 0.000 -2.299) 9.833 6.454 ( -7.081 0.000 -4.088) 8.176 6.887 ( 3.917 0.000 -1.234) 4.107 6.897 ( -0.709 0.000 6.069) 6.110 7.001 ( -1.649 0.000 -1.104) 1.984 7.378 ( -10.461 0.000 0.978) 10.507 19.875 ( 0.686 0.000 0.273) 0.738 19.904 ( 0.801 0.000 -0.196) 0.825 19.928 ( 0.801 0.000 1.649) 1.834 19.946 ( -0.706 0.000 0.312) 0.772 19.984 ( -0.803 0.000 -0.306) 0.859 20.014 ( -1.261 0.000 1.971) 2.340 20.168 ( 0.545 0.000 -1.937) 2.012 20.237 ( -1.001 0.000 -2.012) 2.247 24.621 ( 6.113 0.000 -0.005) 6.113 24.739 ( 6.062 0.000 -4.821) 7.746 25.114 ( -3.696 0.000 0.035) 3.696 25.135 ( -3.554 0.000 -0.312) 3.568 31.508 ( 0.059 0.000 -0.226) 0.233 31.526 ( -0.303 0.000 -1.263) 1.299 31.542 ( -0.015 0.000 -0.146) 0.146 31.548 ( 0.055 0.000 -0.272) 0.278 41.655 ( 6.941 0.000 2.944) 7.539 42.021 ( 5.917 0.000 -3.042) 6.653 42.294 ( 4.138 0.000 4.221) 5.912 42.408 ( -8.538 0.000 1.558) 8.679 42.591 ( -4.990 0.000 -1.454) 5.198 42.630 ( 16.868 0.000 -1.359) 16.923 43.168 ( -27.740 0.000 49.965) 57.149 44.646 ( -24.086 0.000 -1.251) 24.118 ======================= Grid point 84 (29/100) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 19.798 0.000 3.982) 20.195 1.394 ( 17.892 0.000 3.431) 18.218 1.815 ( 4.921 0.000 -6.240) 7.947 1.919 ( -10.343 0.000 4.818) 11.410 2.026 ( -10.922 0.000 -6.271) 12.594 2.169 ( 22.901 0.000 12.111) 25.906 2.219 ( -1.295 0.000 -1.759) 2.184 2.333 ( -12.592 0.000 -3.344) 13.029 2.367 ( -4.927 0.000 1.506) 5.152 3.190 ( -20.189 0.000 3.088) 20.424 3.567 ( 9.425 0.000 -2.150) 9.667 3.892 ( -4.876 0.000 -12.306) 13.237 4.375 ( 6.649 0.000 -3.347) 7.444 4.399 ( 5.388 0.000 -4.306) 6.898 4.542 ( 2.658 0.000 3.127) 4.105 4.583 ( 3.117 0.000 4.382) 5.377 4.611 ( -0.528 0.000 2.322) 2.381 4.668 ( -0.752 0.000 2.317) 2.436 4.851 ( 6.822 0.000 -0.060) 6.822 5.020 ( -0.478 0.000 1.279) 1.365 5.110 ( 0.974 0.000 4.185) 4.297 5.137 ( 8.744 0.000 6.972) 11.183 5.171 ( -1.621 0.000 6.332) 6.536 5.446 ( 3.755 0.000 -0.084) 3.755 5.456 ( -6.966 0.000 9.620) 11.877 5.510 ( 8.712 0.000 -0.201) 8.714 5.652 ( -2.747 0.000 -1.561) 3.160 5.809 ( -3.582 0.000 0.230) 3.589 5.932 ( -2.211 0.000 -4.266) 4.804 5.941 ( 8.607 0.000 -0.737) 8.639 6.064 ( -11.033 0.000 -1.867) 11.190 6.292 ( -9.098 0.000 -0.868) 9.139 6.890 ( 0.375 0.000 2.818) 2.842 6.949 ( -0.831 0.000 -2.375) 2.516 6.995 ( 3.915 0.000 -3.675) 5.370 7.216 ( -6.775 0.000 -5.316) 8.612 19.891 ( 0.911 0.000 0.273) 0.951 19.921 ( 0.814 0.000 -0.250) 0.852 19.931 ( -0.701 0.000 0.327) 0.774 19.947 ( 1.069 0.000 1.462) 1.811 19.966 ( -1.040 0.000 -0.272) 1.075 19.991 ( -1.113 0.000 1.487) 1.857 20.181 ( 0.778 0.000 -2.031) 2.175 20.217 ( -1.033 0.000 -2.211) 2.440 24.754 ( 7.283 0.000 0.049) 7.283 24.851 ( 5.533 0.000 -2.580) 6.105 25.022 ( -5.646 0.000 0.003) 5.646 25.054 ( -4.606 0.000 -0.606) 4.646 31.510 ( 0.137 0.000 -0.676) 0.690 31.520 ( -0.317 0.000 -1.306) 1.344 31.543 ( 0.143 0.000 -0.104) 0.177 31.549 ( -0.031 0.000 -0.172) 0.175 41.816 ( 9.328 0.000 2.711) 9.714 42.152 ( 6.280 0.000 -2.899) 6.917 42.226 ( -8.869 0.000 2.157) 9.127 42.397 ( 6.429 0.000 8.440) 10.609 42.469 ( -7.214 0.000 -1.957) 7.474 42.764 ( -12.799 0.000 25.985) 28.966 43.054 ( 22.586 0.000 -0.880) 22.604 44.122 ( -28.548 0.000 -3.028) 28.708 ======================= Grid point 85 (30/100) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -12.600 0.000 3.925) 13.197 1.692 ( 12.600 0.000 3.925) 13.197 1.715 ( -18.319 0.000 0.944) 18.343 1.715 ( 18.319 0.000 0.944) 18.343 2.005 ( -13.869 0.000 -6.266) 15.219 2.005 ( 13.869 0.000 -6.266) 15.219 2.273 ( -4.449 0.000 -2.578) 5.142 2.273 ( 4.449 0.000 -2.578) 5.142 2.720 ( -26.294 0.000 7.912) 27.458 2.720 ( 26.294 0.000 7.912) 27.458 3.759 ( -8.723 0.000 -6.790) 11.054 3.759 ( 8.723 0.000 -6.790) 11.054 4.451 ( -0.603 0.000 -3.700) 3.749 4.451 ( 0.603 0.000 -3.700) 3.749 4.586 ( -1.833 0.000 2.883) 3.416 4.586 ( 1.833 0.000 2.883) 3.416 4.636 ( -2.360 0.000 3.151) 3.937 4.636 ( 2.360 0.000 3.151) 3.937 4.969 ( -4.597 0.000 -0.601) 4.636 4.969 ( 4.597 0.000 -0.601) 4.636 5.137 ( -1.693 0.000 5.450) 5.707 5.137 ( 1.693 0.000 5.450) 5.707 5.306 ( -8.252 0.000 10.683) 13.499 5.306 ( 8.252 0.000 10.683) 13.499 5.540 ( -5.620 0.000 0.103) 5.621 5.540 ( 5.620 0.000 0.103) 5.621 5.713 ( -8.568 0.000 -0.968) 8.622 5.713 ( 8.568 0.000 -0.968) 8.622 5.916 ( -2.162 0.000 -3.028) 3.720 5.916 ( 2.162 0.000 -3.028) 3.720 6.112 ( -9.040 0.000 0.376) 9.048 6.112 ( 9.040 0.000 0.376) 9.048 6.913 ( -1.812 0.000 0.156) 1.818 6.913 ( 1.812 0.000 0.156) 1.818 7.097 ( -5.615 0.000 -6.632) 8.690 7.097 ( 5.615 0.000 -6.632) 8.690 19.910 ( -0.986 0.000 0.258) 1.020 19.910 ( 0.986 0.000 0.258) 1.020 19.944 ( -1.110 0.000 -0.220) 1.131 19.944 ( 1.110 0.000 -0.220) 1.131 19.969 ( -1.146 0.000 1.388) 1.800 19.969 ( 1.146 0.000 1.388) 1.800 20.198 ( -0.937 0.000 -2.175) 2.368 20.198 ( 0.937 0.000 -2.175) 2.368 24.897 ( -7.011 0.000 0.024) 7.011 24.897 ( 7.011 0.000 0.024) 7.011 24.957 ( -5.211 0.000 -1.285) 5.367 24.957 ( 5.211 0.000 -1.285) 5.367 31.514 ( -0.258 0.000 -1.077) 1.108 31.514 ( 0.258 0.000 -1.077) 1.108 31.547 ( -0.178 0.000 -0.088) 0.198 31.547 ( 0.178 0.000 -0.088) 0.198 42.012 ( -10.456 0.000 2.303) 10.707 42.012 ( 10.456 0.000 2.303) 10.707 42.317 ( -8.098 0.000 -2.295) 8.417 42.317 ( 8.098 0.000 -2.295) 8.417 42.548 ( -9.144 0.000 15.380) 17.892 42.548 ( 9.144 0.000 15.380) 17.892 43.561 ( -28.001 0.000 -3.286) 28.193 43.561 ( 28.001 0.000 -3.286) 28.193 ======================= Grid point 90 (31/100) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 15.708 16.287) 22.628 0.858 ( 0.000 20.920 19.234) 28.418 1.326 ( 0.000 39.109 24.242) 46.013 1.974 ( 0.000 2.363 -12.665) 12.884 2.125 ( 0.000 7.637 -15.749) 17.503 2.421 ( 0.000 -1.790 9.423) 9.592 2.624 ( 0.000 8.394 6.650) 10.709 2.740 ( 0.000 4.968 0.356) 4.981 2.848 ( 0.000 4.232 -1.106) 4.374 2.969 ( 0.000 -3.038 6.275) 6.971 3.843 ( 0.000 -7.608 -9.638) 12.279 3.947 ( 0.000 -1.115 -19.319) 19.352 4.063 ( 0.000 2.219 -0.492) 2.273 4.161 ( 0.000 3.535 -4.859) 6.008 4.378 ( 0.000 -2.271 -1.184) 2.561 4.434 ( 0.000 0.223 0.061) 0.232 4.498 ( 0.000 -0.628 2.197) 2.285 4.578 ( 0.000 -8.496 7.389) 11.260 4.616 ( 0.000 -4.952 -0.404) 4.968 4.710 ( 0.000 2.492 1.904) 3.136 4.756 ( 0.000 7.432 3.389) 8.169 4.967 ( 0.000 -2.936 -2.657) 3.960 5.190 ( 0.000 7.901 3.229) 8.536 5.289 ( 0.000 6.042 6.626) 8.967 5.392 ( 0.000 8.647 1.609) 8.795 5.661 ( 0.000 1.833 0.989) 2.083 5.699 ( 0.000 10.675 -2.334) 10.927 5.717 ( 0.000 0.156 2.235) 2.241 6.035 ( 0.000 2.447 -4.833) 5.417 6.097 ( 0.000 2.604 4.718) 5.388 6.329 ( 0.000 -9.955 -5.058) 11.166 6.618 ( 0.000 0.647 -5.191) 5.231 6.847 ( 0.000 1.136 2.369) 2.627 6.849 ( 0.000 -5.002 6.954) 8.566 7.003 ( 0.000 -3.647 1.289) 3.868 7.788 ( 0.000 -8.134 -7.321) 10.943 19.892 ( 0.000 -0.319 1.395) 1.431 19.907 ( 0.000 2.936 0.129) 2.939 19.922 ( 0.000 2.968 -0.098) 2.970 19.975 ( 0.000 0.543 -0.658) 0.853 19.999 ( 0.000 -0.191 -0.365) 0.412 20.086 ( 0.000 0.343 2.631) 2.653 20.150 ( 0.000 -0.538 -2.389) 2.448 20.237 ( 0.000 -1.933 -0.948) 2.153 24.469 ( 0.000 0.001 0.157) 0.157 24.488 ( 0.000 -0.115 -0.155) 0.193 25.186 ( 0.000 -0.046 0.107) 0.117 25.204 ( 0.000 -0.188 -0.189) 0.266 31.496 ( 0.000 -0.996 0.148) 1.007 31.529 ( 0.000 -0.494 -0.360) 0.611 31.540 ( 0.000 -0.418 0.128) 0.437 31.545 ( 0.000 -0.445 0.022) 0.445 41.575 ( 0.000 5.642 3.009) 6.394 41.943 ( 0.000 3.768 -2.594) 4.575 42.137 ( 0.000 -5.381 1.241) 5.522 42.238 ( 0.000 -3.015 -0.774) 3.112 42.672 ( 0.000 2.222 3.454) 4.107 42.899 ( 0.000 18.398 -1.603) 18.467 45.000 ( 0.000 -14.960 2.404) 15.152 45.312 ( 0.000 -3.991 -3.761) 5.483 ======================= Grid point 91 (32/100) ======================= q-point: ( 0.12 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 10.599 13.211 12.393) 20.987 0.964 ( 10.147 18.158 16.362) 26.465 1.479 ( 14.576 33.194 20.412) 41.604 1.935 ( -3.115 2.830 -10.548) 11.357 2.152 ( 2.358 8.499 -15.268) 17.632 2.308 ( -9.089 -0.393 8.527) 12.469 2.612 ( -3.163 7.499 4.761) 9.429 2.658 ( -6.817 4.208 2.459) 8.380 2.823 ( -4.680 1.957 -3.050) 5.919 3.041 ( 8.124 -0.431 6.480) 10.400 3.798 ( -5.436 -6.176 -7.550) 11.167 3.937 ( -1.025 -1.885 -18.237) 18.363 4.112 ( 5.345 2.745 -1.520) 6.198 4.212 ( 4.789 4.614 -4.588) 8.079 4.349 ( 1.435 -3.945 0.208) 4.203 4.435 ( 1.273 -2.474 2.738) 3.903 4.555 ( 3.919 1.041 3.063) 5.082 4.606 ( 1.653 -6.435 3.133) 7.345 4.738 ( 3.972 1.823 0.612) 4.413 4.752 ( 1.999 5.253 3.026) 6.384 4.954 ( 12.201 -8.940 -2.489) 15.330 4.985 ( 10.250 -3.917 -3.334) 11.468 5.194 ( 0.474 7.964 3.236) 8.609 5.294 ( 0.367 6.249 6.373) 8.933 5.402 ( 1.211 8.417 1.690) 8.670 5.642 ( -2.631 -0.200 4.714) 5.402 5.697 ( 0.056 4.962 -2.770) 5.683 5.731 ( 2.076 6.399 -1.176) 6.829 6.021 ( -1.468 2.654 -4.283) 5.248 6.060 ( -3.467 2.128 3.903) 5.637 6.304 ( -2.906 -8.864 -4.580) 10.392 6.569 ( -4.743 -0.218 -4.367) 6.451 6.840 ( 0.113 -1.194 2.560) 2.827 6.855 ( 0.009 -3.005 5.780) 6.515 6.993 ( -1.006 -3.376 -0.100) 3.524 7.622 ( -13.779 -3.307 -3.326) 14.555 19.893 ( 0.065 0.009 1.088) 1.090 19.907 ( 0.120 2.503 0.179) 2.512 19.926 ( 0.396 2.692 0.168) 2.726 19.971 ( -0.400 0.538 -0.520) 0.849 19.995 ( -0.341 -0.101 -0.351) 0.500 20.061 ( -1.870 1.153 2.915) 3.650 20.155 ( 0.400 -0.452 -2.238) 2.318 20.233 ( -0.386 -1.704 -1.121) 2.076 24.523 ( 3.512 -0.120 -0.108) 3.516 24.555 ( 7.061 -2.519 -2.127) 7.793 25.167 ( -1.880 -0.065 0.091) 1.883 25.186 ( -1.885 -0.202 -0.209) 1.908 31.496 ( 0.036 -0.976 0.114) 0.983 31.526 ( -0.494 -0.446 -0.374) 0.763 31.533 ( -0.112 -0.640 -0.034) 0.651 31.544 ( -0.153 -0.429 -0.080) 0.462 41.617 ( 4.291 6.161 2.939) 8.063 41.979 ( 3.628 4.197 -2.626) 6.138 42.158 ( 2.153 -5.087 1.879) 5.835 42.320 ( 8.110 -3.409 -1.429) 8.913 42.646 ( -2.483 2.971 3.089) 4.953 42.859 ( -4.056 17.269 -1.276) 17.784 44.513 ( -58.912 24.974 22.386) 67.790 44.874 ( -13.626 -13.949 1.979) 19.600 ======================= Grid point 92 (33/100) ======================= q-point: ( 0.25 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 16.780 8.008 6.129) 19.578 1.218 ( 14.826 13.138 11.431) 22.871 1.795 ( 9.538 13.227 1.115) 16.345 1.925 ( 8.717 13.154 5.076) 16.577 2.124 ( -8.285 1.373 7.344) 11.156 2.202 ( 1.923 9.965 -13.454) 16.852 2.443 ( -11.406 4.206 1.323) 12.229 2.539 ( -7.388 3.068 2.680) 8.436 2.686 ( -7.944 8.610 -2.277) 11.934 3.239 ( 10.662 -1.626 3.824) 11.443 3.617 ( -12.549 -1.898 -3.036) 13.050 3.906 ( -2.361 -3.559 -15.780) 16.348 4.259 ( 8.665 2.956 -2.458) 9.480 4.325 ( 6.018 4.409 -3.398) 8.198 4.401 ( 3.037 -4.990 1.732) 6.093 4.507 ( 5.203 -2.731 1.627) 6.097 4.619 ( 2.961 0.378 1.135) 3.193 4.673 ( 5.196 -2.083 5.732) 8.012 4.765 ( 0.813 7.536 2.223) 7.899 4.863 ( 7.051 -4.177 4.902) 9.550 4.983 ( 0.757 -3.041 -2.479) 3.996 5.196 ( 0.733 6.745 3.408) 7.593 5.286 ( 1.936 6.375 3.103) 7.350 5.331 ( 9.101 -4.121 -0.727) 10.017 5.454 ( 4.292 7.096 1.537) 8.434 5.553 ( -5.754 -1.527 6.598) 8.886 5.716 ( 1.490 4.951 -3.376) 6.175 5.801 ( 4.969 3.262 -1.791) 6.208 5.956 ( -5.233 3.075 2.739) 6.659 5.997 ( -2.351 1.467 -3.703) 4.625 6.204 ( -7.236 -5.899 -3.336) 9.914 6.445 ( -7.638 -1.083 -2.425) 8.087 6.842 ( -0.296 -4.638 5.010) 6.834 6.869 ( 2.069 -1.534 -1.215) 2.848 6.965 ( -1.824 -3.255 -1.375) 3.976 7.355 ( -12.208 -2.177 -2.810) 12.715 19.895 ( 0.244 0.364 0.385) 0.583 19.912 ( 0.384 1.590 0.041) 1.637 19.936 ( 0.624 2.069 0.611) 2.246 19.961 ( -0.533 0.547 -0.063) 0.766 19.986 ( -0.542 0.198 -0.264) 0.635 20.029 ( -1.313 1.406 2.520) 3.170 20.165 ( 0.652 -0.234 -2.115) 2.226 20.223 ( -0.609 -1.134 -1.491) 1.970 24.619 ( 6.112 -0.126 -0.020) 6.113 24.696 ( 6.945 -3.099 -2.691) 8.067 25.113 ( -3.712 -0.108 0.033) 3.713 25.131 ( -3.660 -0.292 -0.276) 3.682 31.497 ( 0.086 -0.946 -0.064) 0.952 31.515 ( -0.457 -0.837 -0.598) 1.126 31.535 ( 0.104 -0.611 -0.267) 0.675 31.541 ( -0.105 -0.484 -0.182) 0.527 41.740 ( 8.134 7.700 2.635) 11.507 42.081 ( 6.566 5.170 -2.821) 8.820 42.223 ( 4.575 -4.036 3.821) 7.199 42.486 ( 1.683 0.620 -2.457) 3.042 42.639 ( 8.343 0.990 1.267) 8.496 42.748 ( -6.622 13.314 0.166) 14.871 43.528 ( -38.941 29.732 28.859) 56.862 44.510 ( -22.835 -12.388 -0.536) 25.985 ======================= Grid point 93 (34/100) ======================= q-point: ( 0.38 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 18.629 4.448 2.182) 19.277 1.509 ( 13.947 8.248 7.749) 17.961 1.848 ( 1.390 1.761 -2.751) 3.550 1.919 ( -5.972 3.105 0.896) 6.790 2.093 ( -14.273 4.380 -3.044) 15.237 2.296 ( -8.931 3.876 -0.382) 9.743 2.321 ( 12.074 13.400 2.342) 18.189 2.410 ( 9.855 11.856 1.773) 15.519 2.547 ( -6.256 13.887 -1.918) 15.352 3.242 ( -16.889 4.824 1.794) 17.656 3.514 ( 8.560 -4.560 -0.411) 9.707 3.834 ( -5.204 -4.998 -10.939) 13.104 4.394 ( 3.926 -0.273 -1.316) 4.150 4.417 ( 2.699 0.999 -2.143) 3.588 4.484 ( 5.948 -0.992 1.168) 6.142 4.583 ( 2.097 0.126 0.438) 2.146 4.689 ( 3.650 4.952 2.694) 6.715 4.769 ( 0.065 7.229 2.550) 7.666 4.805 ( 7.243 -2.824 3.656) 8.591 4.980 ( 0.499 -3.217 3.488) 4.771 5.013 ( 6.072 -6.587 2.339) 9.259 5.202 ( -0.310 5.659 4.695) 7.360 5.283 ( -0.529 8.526 4.789) 9.793 5.391 ( -6.765 -3.083 6.094) 9.613 5.492 ( 5.652 0.346 -0.714) 5.708 5.588 ( 7.265 7.461 0.826) 10.447 5.724 ( -2.077 5.287 -1.271) 5.821 5.845 ( -2.562 2.694 0.831) 3.809 5.920 ( 1.863 -1.092 -2.648) 3.417 5.965 ( 1.392 1.751 -2.021) 3.014 6.038 ( -8.249 -1.813 -1.701) 8.616 6.280 ( -8.902 -1.026 -0.425) 8.971 6.844 ( 0.759 -4.085 2.238) 4.720 6.913 ( -0.669 -3.176 -2.437) 4.059 6.939 ( 2.146 -4.825 -3.023) 6.085 7.157 ( -8.210 -4.813 -5.264) 10.875 19.902 ( 0.475 0.243 -0.249) 0.589 19.918 ( 0.065 0.525 -0.443) 0.690 19.945 ( 0.197 1.502 0.136) 1.521 19.956 ( 0.092 0.840 1.018) 1.323 19.977 ( -0.174 0.828 0.283) 0.892 20.007 ( -1.092 1.371 2.076) 2.717 20.179 ( 0.789 -0.076 -2.047) 2.195 20.210 ( -0.705 -0.532 -1.805) 2.009 24.753 ( 7.289 -0.120 0.026) 7.290 24.825 ( 6.297 -2.096 -1.816) 6.880 25.021 ( -5.640 -0.110 -0.007) 5.641 25.047 ( -4.874 -0.602 -0.498) 4.936 31.500 ( 0.154 -0.925 -0.376) 1.011 31.508 ( -0.290 -0.974 -0.745) 1.260 31.536 ( 0.098 -0.551 -0.273) 0.623 31.540 ( -0.037 -0.614 -0.212) 0.651 41.929 ( 10.935 9.982 1.727) 14.906 42.220 ( 6.588 4.904 -2.913) 8.714 42.336 ( 6.074 1.704 5.583) 8.424 42.387 ( -6.868 7.320 -0.676) 10.060 42.595 ( -6.975 8.592 2.566) 11.360 42.945 ( -22.153 17.156 21.058) 35.050 42.990 ( 22.265 -4.677 -2.159) 22.853 44.012 ( -27.169 -10.018 -2.377) 29.054 ======================= Grid point 94 (35/100) ======================= q-point: (-0.50 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -9.465 3.204 2.838) 10.388 1.698 ( 9.465 3.204 2.838) 10.388 1.779 ( -13.238 3.084 2.288) 13.784 1.779 ( 13.238 3.084 2.288) 13.784 2.048 ( -12.537 4.073 -3.405) 13.614 2.048 ( 12.537 4.073 -3.405) 13.614 2.432 ( -5.466 13.301 -4.688) 15.125 2.432 ( 5.466 13.301 -4.688) 15.125 2.834 ( -22.924 10.731 5.843) 25.977 2.834 ( 22.924 10.731 5.843) 25.977 3.698 ( -8.614 -5.398 -5.182) 11.410 3.698 ( 8.614 -5.398 -5.182) 11.410 4.434 ( -0.616 -1.842 -0.837) 2.115 4.434 ( 0.616 -1.842 -0.837) 2.115 4.580 ( -2.732 1.801 0.024) 3.273 4.580 ( 2.732 1.801 0.024) 3.273 4.747 ( -2.115 7.170 3.342) 8.188 4.747 ( 2.115 7.170 3.342) 8.188 4.933 ( -4.744 -2.474 0.675) 5.393 4.933 ( 4.744 -2.474 0.675) 5.393 5.148 ( -6.040 -5.086 7.326) 10.771 5.148 ( 6.040 -5.086 7.326) 10.771 5.287 ( -1.932 6.055 4.937) 8.048 5.287 ( 1.932 6.055 4.937) 8.048 5.615 ( -6.188 3.509 -0.520) 7.133 5.615 ( 6.188 3.509 -0.520) 7.133 5.759 ( -7.758 4.284 0.231) 8.865 5.759 ( 7.758 4.284 0.231) 8.865 5.916 ( -1.816 0.263 -3.254) 3.736 5.916 ( 1.816 0.263 -3.254) 3.736 6.107 ( -8.446 -0.328 0.645) 8.477 6.107 ( 8.446 -0.328 0.645) 8.477 6.873 ( -2.052 -3.608 0.049) 4.151 6.873 ( 2.052 -3.608 0.049) 4.151 7.025 ( -5.514 -6.074 -5.935) 10.125 7.025 ( 5.514 -6.074 -5.935) 10.125 19.913 ( -0.515 0.056 -0.614) 0.803 19.913 ( 0.515 0.056 -0.614) 0.803 19.952 ( -0.450 1.120 0.315) 1.247 19.952 ( 0.450 1.120 0.315) 1.247 19.986 ( -0.925 1.315 1.638) 2.295 19.986 ( 0.925 1.315 1.638) 2.295 20.195 ( -0.777 -0.151 -1.971) 2.125 20.195 ( 0.777 -0.151 -1.971) 2.125 24.895 ( -7.013 -0.108 0.005) 7.014 24.895 ( 7.013 -0.108 0.005) 7.014 24.943 ( -5.678 -1.190 -0.998) 5.886 24.943 ( 5.678 -1.190 -0.998) 5.886 31.503 ( -0.223 -0.942 -0.645) 1.163 31.503 ( 0.223 -0.942 -0.645) 1.163 31.539 ( -0.111 -0.605 -0.232) 0.657 31.539 ( 0.111 -0.605 -0.232) 0.657 42.152 ( -11.123 11.103 -0.410) 15.721 42.152 ( 11.123 11.103 -0.410) 15.721 42.382 ( -5.095 5.126 0.032) 7.227 42.382 ( 5.095 5.126 0.032) 7.227 42.612 ( -11.579 7.461 12.907) 18.876 42.612 ( 11.579 7.461 12.907) 18.876 43.478 ( -26.733 -7.589 -2.854) 27.935 43.478 ( 26.733 -7.589 -2.854) 27.935 ======================= Grid point 99 (36/100) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 19.222 10.090) 21.709 1.275 ( 0.000 20.276 14.738) 25.067 2.003 ( 0.000 10.476 -9.347) 14.040 2.240 ( 0.000 3.383 -9.653) 10.229 2.280 ( 0.000 36.157 7.014) 36.831 2.421 ( 0.000 2.176 6.504) 6.858 2.831 ( 0.000 8.635 1.117) 8.707 2.840 ( 0.000 4.501 0.867) 4.583 2.895 ( 0.000 -3.727 4.936) 6.185 2.941 ( 0.000 3.309 -1.763) 3.749 3.633 ( 0.000 -12.433 -6.966) 14.251 3.970 ( 0.000 4.050 -16.819) 17.300 4.086 ( 0.000 0.071 1.742) 1.743 4.173 ( 0.000 -2.112 -0.332) 2.138 4.346 ( 0.000 -1.067 -1.466) 1.813 4.408 ( 0.000 -2.516 -0.471) 2.560 4.458 ( 0.000 -2.297 1.899) 2.980 4.478 ( 0.000 -1.218 2.906) 3.151 4.519 ( 0.000 -3.697 -1.341) 3.933 4.822 ( 0.000 5.895 -1.406) 6.060 4.913 ( 0.000 -1.815 -2.052) 2.739 4.927 ( 0.000 7.121 2.191) 7.450 5.387 ( 0.000 10.468 4.589) 11.429 5.446 ( 0.000 8.702 3.555) 9.400 5.581 ( 0.000 5.941 1.532) 6.135 5.648 ( 0.000 2.307 4.991) 5.499 5.811 ( 0.000 5.802 -1.257) 5.936 5.812 ( 0.000 2.408 7.319) 7.704 6.083 ( 0.000 1.273 -2.326) 2.651 6.110 ( 0.000 -10.263 -6.022) 11.899 6.134 ( 0.000 0.543 5.236) 5.264 6.579 ( 0.000 -3.918 -0.742) 3.988 6.751 ( 0.000 -2.762 4.222) 5.045 6.882 ( 0.000 1.919 -0.762) 2.065 6.919 ( 0.000 -3.684 -0.203) 3.689 7.608 ( 0.000 -9.504 -10.400) 14.088 19.897 ( 0.000 0.847 -1.120) 1.404 19.973 ( 0.000 0.322 -1.070) 1.118 19.980 ( 0.000 3.707 1.836) 4.137 19.983 ( 0.000 0.312 -1.082) 1.126 20.006 ( 0.000 1.722 0.643) 1.838 20.106 ( 0.000 1.338 2.980) 3.267 20.136 ( 0.000 -0.531 -3.004) 3.051 20.202 ( 0.000 -0.984 0.394) 1.060 24.469 ( 0.000 0.021 0.129) 0.130 24.485 ( 0.000 -0.198 -0.126) 0.235 25.185 ( 0.000 -0.052 0.084) 0.099 25.199 ( 0.000 -0.283 -0.152) 0.321 31.472 ( 0.000 -1.080 0.322) 1.127 31.514 ( 0.000 -0.840 -0.289) 0.888 31.528 ( 0.000 -0.622 0.118) 0.633 31.533 ( 0.000 -0.677 0.022) 0.677 41.729 ( 0.000 8.537 2.787) 8.981 42.030 ( 0.000 3.639 -1.193) 3.830 42.035 ( 0.000 -4.135 1.364) 4.354 42.168 ( 0.000 -3.371 -0.219) 3.378 42.698 ( 0.000 1.575 3.750) 4.067 43.341 ( 0.000 21.493 -6.881) 22.567 44.603 ( 0.000 -20.680 6.634) 21.719 45.235 ( 0.000 -4.133 -5.107) 6.570 ======================= Grid point 100 (37/100) ======================= q-point: ( 0.12 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 6.375 17.449 8.548) 20.449 1.341 ( 6.399 18.671 13.343) 23.824 1.981 ( -1.901 8.183 -9.126) 12.404 2.267 ( 0.313 3.876 -5.163) 6.463 2.323 ( 3.832 27.418 4.120) 27.989 2.377 ( -0.654 12.449 4.766) 13.347 2.720 ( -7.192 2.472 -1.290) 7.714 2.743 ( -9.121 3.697 2.335) 10.115 2.926 ( -0.316 5.715 -0.674) 5.763 3.031 ( 7.957 -0.724 4.065) 8.964 3.635 ( -0.649 -9.451 -4.962) 10.694 3.943 ( -2.905 3.480 -15.759) 16.398 4.144 ( 5.964 -0.043 0.787) 6.015 4.217 ( 4.125 -3.296 0.694) 5.326 4.340 ( 1.826 2.455 -1.081) 3.245 4.369 ( -0.165 -2.650 1.613) 3.107 4.506 ( 3.535 -3.627 2.379) 5.596 4.531 ( 4.478 -1.960 0.599) 4.924 4.748 ( 15.332 -5.442 -2.840) 16.516 4.837 ( 1.721 4.256 -0.959) 4.690 4.910 ( 0.085 2.567 -0.785) 2.686 4.957 ( 3.808 2.098 1.149) 4.497 5.392 ( 0.318 10.565 4.597) 11.526 5.453 ( 0.647 8.257 3.112) 8.848 5.568 ( -1.811 2.295 2.125) 3.615 5.635 ( -0.543 6.123 4.631) 7.696 5.812 ( 0.296 5.181 -0.772) 5.246 5.823 ( 0.979 2.663 5.594) 6.273 6.049 ( -4.265 -5.590 -1.809) 7.261 6.076 ( -1.500 0.995 -3.434) 3.877 6.139 ( -0.633 -3.139 1.917) 3.733 6.527 ( -4.854 -3.492 -0.669) 6.017 6.750 ( -0.247 -3.076 3.757) 4.862 6.868 ( -1.262 1.168 -0.819) 1.905 6.911 ( -0.857 -3.675 -0.630) 3.826 7.510 ( -9.338 -7.403 -9.073) 14.977 19.897 ( 0.019 0.745 -1.153) 1.372 19.969 ( -0.369 1.576 -0.116) 1.623 19.975 ( -0.527 0.073 -1.582) 1.669 19.984 ( 0.313 2.558 1.578) 3.022 20.005 ( -0.150 1.802 0.498) 1.875 20.090 ( -1.298 1.514 2.675) 3.337 20.144 ( 0.726 -0.247 -2.492) 2.607 20.203 ( 0.095 -0.786 0.233) 0.825 24.520 ( 3.519 -0.207 -0.099) 3.526 24.521 ( 4.899 -0.891 -0.297) 4.988 25.166 ( -1.930 -0.077 0.075) 1.933 25.181 ( -1.926 -0.298 -0.165) 1.956 31.473 ( 0.080 -1.054 0.309) 1.101 31.515 ( -0.263 -0.662 -0.248) 0.754 31.518 ( -0.492 -0.709 0.077) 0.867 31.532 ( -0.120 -0.656 -0.061) 0.670 41.785 ( 5.622 9.206 2.675) 11.114 42.053 ( 2.507 -2.280 0.683) 3.457 42.091 ( 5.361 3.128 0.043) 6.207 42.237 ( 7.074 -4.286 -1.032) 8.336 42.673 ( -2.431 1.295 3.899) 4.774 43.282 ( -5.957 20.778 -6.296) 22.513 44.487 ( -11.559 -19.626 5.497) 23.430 44.857 ( -34.141 7.520 0.394) 34.961 ======================= Grid point 101 (38/100) ======================= q-point: ( 0.25 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 11.146 12.933 5.531) 17.947 1.507 ( 9.994 14.938 10.357) 20.743 1.940 ( -2.019 5.936 -6.842) 9.281 2.168 ( -7.286 6.212 3.677) 10.256 2.388 ( -0.344 6.082 -8.203) 10.218 2.504 ( 4.221 17.433 1.305) 17.984 2.543 ( -6.177 7.744 2.839) 10.304 2.580 ( -2.177 11.158 1.144) 11.425 2.903 ( -2.014 8.262 -3.763) 9.299 3.197 ( 8.709 -2.277 6.032) 10.836 3.577 ( -5.664 -2.167 -1.359) 6.215 3.855 ( -5.855 0.080 -11.856) 13.224 4.296 ( 6.140 -3.866 0.627) 7.283 4.309 ( 6.637 1.067 0.627) 6.752 4.412 ( 4.414 3.096 -0.219) 5.396 4.428 ( 6.237 -3.344 1.533) 7.241 4.585 ( 6.008 -0.979 -0.028) 6.088 4.653 ( 6.663 -2.960 4.263) 8.446 4.861 ( 1.832 3.561 2.168) 4.554 4.903 ( 1.145 -3.450 -2.892) 4.645 4.926 ( 1.319 4.978 1.160) 5.279 5.170 ( 13.669 -6.395 -3.287) 15.445 5.380 ( -2.179 5.648 4.252) 7.397 5.469 ( 0.849 8.192 2.617) 8.641 5.511 ( -2.719 3.406 3.676) 5.702 5.657 ( 2.961 9.031 2.968) 9.957 5.830 ( 1.676 5.095 -2.274) 5.825 5.850 ( 1.669 0.996 3.942) 4.395 5.940 ( -6.457 -5.548 -2.056) 8.757 6.042 ( -2.038 2.151 -2.989) 4.209 6.103 ( -2.947 -1.580 1.529) 3.676 6.406 ( -7.252 -2.590 -0.180) 7.702 6.742 ( -0.303 -3.703 2.094) 4.265 6.841 ( -1.283 -1.047 -1.332) 2.125 6.884 ( -2.006 -3.785 -1.059) 4.412 7.284 ( -12.566 -4.753 -6.764) 15.041 19.899 ( 0.187 0.550 -1.294) 1.419 19.954 ( -1.047 0.985 -0.939) 1.718 19.970 ( -0.027 0.484 -0.667) 0.824 19.992 ( 0.438 2.129 1.343) 2.555 20.000 ( -0.330 2.147 0.790) 2.311 20.064 ( -1.214 1.813 2.625) 3.413 20.161 ( 0.992 0.072 -2.150) 2.369 20.205 ( 0.048 -0.346 -0.175) 0.390 24.616 ( 6.113 -0.201 -0.044) 6.117 24.641 ( 6.968 -1.876 -0.765) 7.256 25.110 ( -3.776 -0.152 0.033) 3.779 25.124 ( -3.847 -0.374 -0.198) 3.870 31.475 ( 0.126 -0.994 0.235) 1.029 31.499 ( -0.782 -0.597 0.104) 0.989 31.520 ( 0.176 -0.795 -0.379) 0.898 31.529 ( -0.150 -0.628 -0.195) 0.675 41.944 ( 10.339 10.809 1.872) 15.074 42.128 ( 5.334 -2.105 2.004) 6.074 42.242 ( 9.949 6.605 0.110) 11.942 42.429 ( 10.683 -4.910 -3.117) 12.164 42.620 ( -1.170 -0.838 4.895) 5.102 43.115 ( -10.857 18.794 -4.597) 22.186 44.091 ( -37.557 18.351 5.759) 42.195 44.182 ( -21.425 -15.320 3.754) 26.605 ======================= Grid point 102 (39/100) ======================= q-point: ( 0.38 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 15.016 7.680 2.886) 17.111 1.702 ( 8.869 10.501 7.084) 15.464 1.906 ( -2.128 4.452 -0.662) 4.979 2.059 ( -1.971 8.703 -1.077) 8.988 2.168 ( -15.667 2.707 0.138) 15.900 2.359 ( -10.610 2.996 -0.712) 11.048 2.592 ( 7.028 10.746 -9.679) 16.080 2.814 ( 12.082 20.468 0.338) 23.771 2.847 ( -0.826 14.783 -1.374) 14.870 3.340 ( 0.514 0.309 1.623) 1.731 3.438 ( -2.957 1.288 4.648) 5.658 3.721 ( -7.640 -4.475 -5.441) 10.393 4.362 ( 2.700 -1.445 1.075) 3.246 4.413 ( 1.325 0.312 0.616) 1.495 4.530 ( 7.337 2.630 -0.910) 7.847 4.567 ( 6.417 -2.058 -0.242) 6.744 4.744 ( 8.779 -1.852 3.372) 9.585 4.773 ( 6.079 1.321 3.481) 7.129 4.887 ( -0.121 -1.206 4.947) 5.093 4.919 ( 1.644 0.884 -0.116) 1.870 4.942 ( 0.179 0.434 0.121) 0.484 5.214 ( -8.505 -2.017 2.111) 8.992 5.439 ( 8.345 -4.828 -2.084) 9.864 5.483 ( 0.635 9.933 2.807) 10.341 5.489 ( -0.113 9.291 3.537) 9.942 5.746 ( 3.803 6.349 0.340) 7.409 5.779 ( -5.929 -3.898 -1.411) 7.235 5.882 ( 2.663 2.458 -3.139) 4.794 5.905 ( 1.728 1.747 1.027) 2.663 6.003 ( -1.851 1.756 -1.657) 3.042 6.038 ( -2.283 1.786 1.287) 3.172 6.254 ( -8.044 -1.419 0.652) 8.194 6.747 ( 0.941 -4.373 0.347) 4.486 6.829 ( -0.941 -4.937 -2.117) 5.453 6.840 ( -0.879 -3.053 -1.519) 3.522 7.053 ( -10.379 -4.622 -5.109) 12.458 19.905 ( 0.434 0.421 -1.534) 1.649 19.933 ( -0.998 0.542 -1.462) 1.851 19.973 ( 0.247 0.780 -0.164) 0.835 19.989 ( -0.493 1.040 0.016) 1.151 20.006 ( 0.768 2.872 2.317) 3.769 20.043 ( -1.035 2.055 2.527) 3.417 20.181 ( 0.932 0.271 -1.743) 1.995 20.204 ( -0.208 0.061 -0.696) 0.729 24.750 ( 7.304 -0.192 -0.015) 7.306 24.781 ( 7.134 -1.791 -0.747) 7.393 25.018 ( -5.624 -0.196 -0.020) 5.627 25.032 ( -5.396 -0.667 -0.287) 5.445 31.478 ( 0.161 -0.945 0.109) 0.965 31.488 ( -0.410 -0.801 0.061) 0.902 31.523 ( 0.136 -0.714 -0.439) 0.849 31.527 ( -0.094 -0.646 -0.309) 0.722 42.156 ( 9.700 7.506 -0.878) 12.296 42.281 ( 11.117 5.192 3.727) 12.823 42.433 ( -0.379 4.275 -0.883) 4.381 42.505 ( 10.294 6.495 2.767) 12.483 42.819 ( 17.952 -9.383 0.738) 20.270 42.869 ( -13.909 15.791 -1.682) 21.110 43.406 ( -30.221 21.087 6.636) 37.443 43.741 ( -23.815 -14.454 0.619) 27.864 ======================= Grid point 103 (40/100) ======================= q-point: (-0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -8.463 4.511 2.519) 9.915 1.800 ( 8.463 4.511 2.519) 9.915 1.862 ( -8.173 6.662 2.178) 10.766 1.862 ( 8.173 6.662 2.178) 10.766 2.155 ( -9.236 5.913 -1.465) 11.065 2.155 ( 9.236 5.913 -1.465) 11.065 2.731 ( -6.627 12.939 -8.888) 17.039 2.731 ( 6.627 12.939 -8.888) 17.039 3.125 ( -14.862 15.388 2.999) 21.602 3.125 ( 14.862 15.388 2.999) 21.602 3.562 ( -8.429 -6.481 1.390) 10.724 3.562 ( 8.429 -6.481 1.390) 10.724 4.405 ( -1.543 -0.156 0.789) 1.740 4.405 ( 1.543 -0.156 0.789) 1.740 4.624 ( -1.278 1.279 -1.420) 2.299 4.624 ( 1.278 1.279 -1.420) 2.299 4.846 ( -3.537 -0.750 6.502) 7.440 4.846 ( 3.537 -0.750 6.502) 7.440 4.913 ( -3.774 1.993 0.237) 4.274 4.913 ( 3.774 1.993 0.237) 4.274 5.019 ( -9.403 -4.151 2.505) 10.579 5.019 ( 9.403 -4.151 2.505) 10.579 5.488 ( -0.097 10.468 3.014) 10.893 5.488 ( 0.097 10.468 3.014) 10.893 5.604 ( -8.474 -4.599 -2.993) 10.095 5.604 ( 8.474 -4.599 -2.993) 10.095 5.867 ( -4.795 5.057 0.608) 6.996 5.867 ( 4.795 5.057 0.608) 6.996 5.943 ( -3.253 2.365 -2.559) 4.767 5.943 ( 3.253 2.365 -2.559) 4.767 6.102 ( -6.913 -0.077 1.410) 7.055 6.102 ( 6.913 -0.077 1.410) 7.055 6.780 ( -2.404 -4.625 -0.638) 5.251 6.780 ( 2.404 -4.625 -0.638) 5.251 6.895 ( -5.493 -5.091 -3.930) 8.458 6.895 ( 5.493 -5.091 -3.930) 8.458 19.916 ( -0.723 0.404 -1.647) 1.843 19.916 ( 0.723 0.404 -1.647) 1.843 19.980 ( -0.452 0.946 0.036) 1.049 19.980 ( 0.452 0.946 0.036) 1.049 20.023 ( -0.953 2.413 2.416) 3.545 20.023 ( 0.953 2.413 2.416) 3.545 20.196 ( -0.600 0.277 -1.240) 1.405 20.196 ( 0.600 0.277 -1.240) 1.405 24.892 ( -7.001 -0.182 -0.030) 7.003 24.892 ( 7.001 -0.182 -0.030) 7.003 24.916 ( -6.436 -1.221 -0.494) 6.570 24.916 ( 6.436 -1.221 -0.494) 6.570 31.482 ( -0.229 -0.908 0.043) 0.938 31.482 ( 0.229 -0.908 0.043) 0.938 31.525 ( -0.101 -0.671 -0.400) 0.788 31.525 ( 0.101 -0.671 -0.400) 0.788 42.312 ( -6.868 2.672 -0.956) 7.431 42.312 ( 6.868 2.672 -0.956) 7.431 42.569 ( -14.978 13.263 1.845) 20.091 42.569 ( 14.978 13.263 1.845) 20.091 42.848 ( -19.961 12.068 5.393) 23.941 42.848 ( 19.961 12.068 5.393) 23.941 43.281 ( -21.636 -9.437 -0.988) 23.626 43.281 ( 21.636 -9.437 -0.988) 23.626 ======================= Grid point 108 (41/100) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 18.836 6.695) 19.991 1.700 ( 0.000 19.951 7.012) 21.147 2.135 ( 0.000 2.660 -5.865) 6.440 2.299 ( 0.000 2.623 -5.536) 6.125 2.487 ( 0.000 6.177 2.396) 6.625 2.772 ( 0.000 1.677 -2.676) 3.158 2.832 ( 0.000 -0.978 2.018) 2.243 2.894 ( 0.000 -3.325 -4.614) 5.687 2.958 ( 0.000 -1.296 -0.901) 1.578 3.169 ( 0.000 30.934 9.716) 32.424 3.337 ( 0.000 -15.323 -4.538) 15.981 4.044 ( 0.000 -0.837 -1.766) 1.954 4.113 ( 0.000 -2.683 0.546) 2.738 4.137 ( 0.000 7.422 -5.844) 9.446 4.331 ( 0.000 -0.254 0.601) 0.652 4.344 ( 0.000 -3.533 0.993) 3.670 4.421 ( 0.000 -1.145 0.907) 1.461 4.475 ( 0.000 0.153 -1.051) 1.062 4.491 ( 0.000 0.925 -1.258) 1.562 4.818 ( 0.000 -4.655 -6.053) 7.636 4.952 ( 0.000 2.960 3.096) 4.283 5.015 ( 0.000 1.366 2.254) 2.636 5.576 ( 0.000 6.597 -0.419) 6.610 5.592 ( 0.000 -0.319 -0.086) 0.330 5.654 ( 0.000 9.957 4.175) 10.797 5.792 ( 0.000 5.326 -1.229) 5.466 5.839 ( 0.000 -0.283 5.734) 5.741 5.920 ( 0.000 4.011 0.749) 4.081 5.946 ( 0.000 -3.125 -2.215) 3.831 6.062 ( 0.000 -0.675 6.289) 6.325 6.149 ( 0.000 0.621 1.904) 2.002 6.474 ( 0.000 -5.763 2.096) 6.132 6.761 ( 0.000 3.123 0.600) 3.180 6.879 ( 0.000 0.467 -1.235) 1.320 6.913 ( 0.000 0.807 -1.716) 1.897 7.385 ( 0.000 -11.634 -9.689) 15.140 19.920 ( 0.000 1.126 -2.117) 2.398 19.960 ( 0.000 -0.780 -1.132) 1.375 19.990 ( 0.000 0.459 -1.522) 1.589 20.028 ( 0.000 -0.046 -0.601) 0.603 20.056 ( 0.000 3.486 2.241) 4.144 20.136 ( 0.000 1.483 3.038) 3.381 20.142 ( 0.000 0.800 -1.021) 1.297 20.193 ( 0.000 -0.157 0.824) 0.839 24.470 ( 0.000 0.069 0.085) 0.109 24.480 ( 0.000 -0.228 -0.082) 0.242 25.184 ( 0.000 -0.003 0.050) 0.050 25.193 ( 0.000 -0.282 -0.099) 0.299 31.457 ( 0.000 -0.348 0.445) 0.565 31.495 ( 0.000 -1.008 -0.101) 1.013 31.516 ( 0.000 -0.517 0.098) 0.526 31.519 ( 0.000 -0.608 0.030) 0.608 41.904 ( 0.000 7.341 2.287) 7.689 41.971 ( 0.000 -1.586 1.616) 2.265 42.040 ( 0.000 -2.778 -1.216) 3.032 42.135 ( 0.000 0.141 3.091) 3.094 42.781 ( 0.000 6.961 -1.588) 7.140 43.609 ( 0.000 -2.660 -19.611) 19.790 44.333 ( 0.000 1.844 18.025) 18.119 45.117 ( 0.000 -7.575 -2.119) 7.866 ======================= Grid point 109 (42/100) ======================= q-point: ( 0.12 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 3.250 17.463 5.807) 18.688 1.739 ( 3.854 19.019 6.242) 20.385 2.101 ( -3.077 2.267 -5.252) 6.495 2.351 ( 4.895 3.813 -6.209) 8.778 2.441 ( -4.078 5.533 2.234) 7.227 2.708 ( -5.710 -0.441 -2.890) 6.415 2.734 ( -8.278 0.386 0.323) 8.293 2.929 ( 1.083 -4.453 -4.965) 6.757 3.009 ( 5.234 -1.249 2.192) 5.811 3.138 ( -0.306 26.762 5.136) 27.252 3.424 ( 5.905 -7.925 0.091) 9.884 4.058 ( -2.755 4.242 -5.327) 7.346 4.119 ( 3.398 -1.214 1.578) 3.938 4.179 ( 5.160 0.724 -0.849) 5.279 4.319 ( 0.655 -1.415 1.364) 2.072 4.396 ( 4.351 1.049 -0.776) 4.542 4.451 ( 4.184 -0.172 1.649) 4.501 4.511 ( 2.574 -0.191 -1.482) 2.976 4.628 ( 11.006 -4.945 -2.028) 12.235 4.843 ( 3.101 -4.179 -5.599) 7.644 4.950 ( -0.190 2.537 3.354) 4.210 5.019 ( 0.364 1.191 2.466) 2.763 5.541 ( -4.723 0.728 0.567) 4.812 5.592 ( 1.483 6.186 -0.479) 6.379 5.664 ( 0.516 8.446 3.473) 9.147 5.788 ( -0.582 3.514 -0.963) 3.690 5.833 ( -0.733 -0.209 1.975) 2.116 5.916 ( -0.594 2.405 1.438) 2.864 5.930 ( -0.884 0.399 -0.471) 1.078 6.066 ( 0.353 -0.117 5.637) 5.650 6.136 ( -1.243 0.567 1.919) 2.355 6.436 ( -3.695 -5.047 1.772) 6.502 6.749 ( -1.235 2.572 0.214) 2.861 6.861 ( -1.838 -0.078 -1.475) 2.358 6.896 ( -1.704 0.769 -1.101) 2.169 7.321 ( -6.332 -10.330 -8.969) 15.075 19.918 ( -0.120 1.093 -2.048) 2.324 19.962 ( 0.145 -0.657 -1.220) 1.393 19.984 ( -0.566 0.480 -1.485) 1.660 20.021 ( -0.517 0.084 -0.533) 0.747 20.061 ( 0.345 3.367 2.190) 4.031 20.124 ( -0.823 1.772 2.285) 3.007 20.152 ( 0.739 0.680 -0.210) 1.026 20.197 ( 0.318 -0.131 0.711) 0.790 24.510 ( 3.973 -0.230 -0.010) 3.980 24.515 ( 3.507 -0.222 -0.070) 3.515 25.165 ( -1.975 -0.015 0.047) 1.975 25.174 ( -1.953 -0.292 -0.108) 1.978 31.458 ( 0.138 -0.318 0.436) 0.557 31.497 ( 0.188 -0.986 -0.138) 1.013 31.508 ( -0.709 -0.355 0.153) 0.807 31.518 ( -0.105 -0.631 -0.023) 0.640 41.973 ( 6.939 7.991 2.367) 10.845 41.998 ( 2.804 -1.573 1.395) 3.504 42.110 ( 6.981 -3.398 -0.875) 7.813 42.191 ( 5.686 0.633 2.599) 6.284 42.750 ( -3.132 6.663 -1.388) 7.492 43.544 ( -6.474 -2.340 -18.555) 19.790 44.227 ( -10.569 1.641 16.826) 19.937 44.897 ( -21.187 -2.921 -0.811) 21.402 ======================= Grid point 110 (43/100) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 5.815 13.871 4.179) 15.610 1.841 ( 6.098 16.552 4.424) 18.186 2.035 ( -3.168 2.012 -3.879) 5.397 2.322 ( -5.911 7.368 2.063) 9.669 2.461 ( -4.758 1.845 -1.178) 5.237 2.546 ( -0.538 -1.566 -6.270) 6.485 2.600 ( -5.586 3.221 -4.906) 8.102 2.947 ( 0.853 -1.482 -7.589) 7.779 3.129 ( 6.682 -1.522 6.400) 9.377 3.184 ( 4.623 21.961 3.272) 22.679 3.513 ( 2.770 -2.683 2.716) 4.717 3.921 ( -9.782 4.406 -0.243) 10.731 4.247 ( 7.744 -0.329 -0.237) 7.754 4.324 ( 8.700 0.035 0.657) 8.725 4.373 ( 5.022 -0.679 2.587) 5.690 4.474 ( 3.035 1.534 -1.644) 3.777 4.561 ( 6.062 -0.787 1.470) 6.287 4.617 ( 8.729 0.273 -0.203) 8.736 4.779 ( 3.664 -6.872 -3.385) 8.492 4.921 ( -0.356 1.203 1.363) 1.852 4.985 ( 4.230 -1.086 -0.843) 4.448 5.051 ( 6.571 -3.951 1.018) 7.734 5.418 ( -7.564 0.785 0.602) 7.628 5.628 ( 1.876 5.351 0.313) 5.679 5.662 ( -1.229 3.779 1.503) 4.249 5.750 ( -3.320 -0.776 -2.970) 4.522 5.824 ( 0.690 4.387 -1.233) 4.609 5.911 ( 0.797 2.364 5.358) 5.910 5.931 ( 0.736 3.325 -1.144) 3.593 6.071 ( -0.173 1.671 3.551) 3.928 6.103 ( -1.970 0.262 2.369) 3.092 6.341 ( -5.670 -3.512 1.450) 6.826 6.717 ( -1.812 1.228 -0.960) 2.390 6.812 ( -2.957 -0.905 -1.404) 3.396 6.851 ( -2.691 0.255 -0.352) 2.726 7.156 ( -9.875 -7.367 -7.109) 14.224 19.917 ( 0.056 1.059 -1.985) 2.250 19.962 ( -0.460 0.044 -1.784) 1.843 19.973 ( -0.257 0.138 -0.944) 0.988 20.010 ( -0.614 -0.034 -0.678) 0.915 20.068 ( 0.383 3.434 2.348) 4.178 20.108 ( -0.798 2.330 2.548) 3.543 20.169 ( 0.949 0.383 -0.357) 1.084 20.203 ( 0.309 -0.089 0.445) 0.549 24.611 ( 6.123 -0.208 -0.048) 6.127 24.616 ( 6.519 -0.705 -0.166) 6.559 25.107 ( -3.879 -0.073 0.027) 3.879 25.117 ( -3.944 -0.322 -0.122) 3.959 31.461 ( 0.213 -0.242 0.400) 0.514 31.492 ( -0.784 -0.113 0.222) 0.823 31.502 ( 0.260 -0.941 -0.202) 0.997 31.516 ( -0.158 -0.663 -0.125) 0.693 42.077 ( 5.327 -0.124 1.148) 5.451 42.174 ( 13.148 7.942 2.218) 15.520 42.302 ( 12.080 -5.617 -0.593) 13.336 42.361 ( 11.838 2.860 1.904) 12.326 42.666 ( -5.045 5.888 -0.775) 7.792 43.364 ( -11.585 -1.253 -15.618) 19.486 43.936 ( -18.503 0.964 13.694) 23.040 44.361 ( -31.417 5.281 1.376) 31.887 ======================= Grid point 111 (44/100) ======================= q-point: ( 0.38 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 9.369 8.889 3.198) 13.305 1.944 ( 2.657 11.500 2.301) 12.025 1.998 ( -0.021 3.421 -1.289) 3.656 2.203 ( -11.512 1.219 1.798) 11.715 2.246 ( -3.822 7.957 0.661) 8.852 2.450 ( -7.737 6.293 -3.895) 10.707 2.720 ( 9.689 0.515 -14.894) 17.776 2.948 ( -1.282 -0.803 -11.662) 11.760 3.268 ( 7.522 2.164 9.843) 12.576 3.301 ( 6.752 14.108 3.249) 15.975 3.525 ( -1.527 3.581 4.246) 5.761 3.703 ( -11.747 2.761 5.780) 13.380 4.372 ( 4.683 2.403 -0.293) 5.272 4.446 ( 2.032 2.614 1.505) 3.637 4.519 ( 8.730 -1.263 3.316) 9.424 4.556 ( 5.965 -0.704 -2.798) 6.627 4.674 ( 5.257 -3.529 2.934) 6.979 4.806 ( 7.074 -1.810 -0.573) 7.324 4.838 ( 5.884 -0.939 -2.012) 6.289 4.876 ( -3.726 -0.890 4.246) 5.719 4.984 ( -2.222 -0.102 1.886) 2.916 5.200 ( -2.744 -1.134 -3.568) 4.641 5.302 ( 3.200 -5.704 -0.479) 6.558 5.577 ( -6.439 -8.848 -3.333) 11.440 5.665 ( 1.549 7.196 0.543) 7.381 5.710 ( -0.850 8.076 0.444) 8.133 5.865 ( 3.278 2.940 -1.217) 4.568 5.948 ( 2.677 2.373 3.938) 5.320 5.955 ( 1.407 2.933 -2.234) 3.946 6.049 ( -1.668 2.857 1.553) 3.655 6.071 ( -1.193 0.810 2.725) 3.083 6.223 ( -6.227 -1.554 1.541) 6.600 6.692 ( -0.353 -0.456 -1.820) 1.909 6.756 ( -2.563 -1.572 -1.397) 3.316 6.804 ( -1.477 -0.543 -0.354) 1.613 6.962 ( -9.162 -4.363 -4.636) 11.156 19.921 ( 0.352 1.030 -2.013) 2.289 19.946 ( -0.887 0.774 -1.982) 2.305 19.976 ( 0.369 -0.247 -0.775) 0.893 19.998 ( -0.650 -0.184 -0.780) 1.031 20.076 ( 0.408 3.416 2.527) 4.269 20.094 ( -0.594 2.775 2.635) 3.873 20.187 ( 0.869 0.137 -0.311) 0.933 20.206 ( -0.029 -0.060 0.142) 0.157 24.746 ( 7.316 -0.193 -0.037) 7.318 24.754 ( 7.362 -0.844 -0.222) 7.414 25.014 ( -5.653 -0.171 -0.014) 5.656 25.021 ( -5.737 -0.412 -0.138) 5.753 31.466 ( 0.236 -0.152 0.343) 0.444 31.479 ( -0.518 -0.039 0.280) 0.590 31.506 ( 0.221 -0.864 -0.270) 0.932 31.513 ( -0.135 -0.718 -0.219) 0.763 42.201 ( 7.119 0.903 0.740) 7.214 42.463 ( 12.015 5.370 2.653) 13.425 42.478 ( 1.331 0.997 -4.274) 4.586 42.629 ( 15.395 -0.887 3.151) 15.739 42.689 ( 15.407 4.589 1.511) 16.146 43.108 ( -13.786 1.782 -11.231) 17.871 43.531 ( -21.999 -0.367 9.569) 23.993 43.736 ( -31.062 9.775 2.204) 32.638 ======================= Grid point 112 (45/100) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -9.769 4.591 2.859) 11.166 1.887 ( 9.769 4.591 2.859) 11.166 2.017 ( -2.987 5.883 0.561) 6.622 2.017 ( 2.987 5.883 0.561) 6.622 2.301 ( -6.691 8.509 -2.404) 11.089 2.301 ( 6.691 8.509 -2.404) 11.089 2.880 ( -5.954 -0.303 -15.792) 16.880 2.880 ( 5.954 -0.303 -15.792) 16.880 3.395 ( -1.643 8.460 5.134) 10.032 3.395 ( 1.643 8.460 5.134) 10.032 3.506 ( -5.061 3.226 9.339) 11.101 3.506 ( 5.061 3.226 9.339) 11.101 4.438 ( -2.104 3.074 0.726) 3.795 4.438 ( 2.104 3.074 0.726) 3.795 4.629 ( -0.659 -0.236 -1.068) 1.277 4.629 ( 0.659 -0.236 -1.068) 1.277 4.771 ( -5.647 -4.352 5.073) 8.751 4.771 ( 5.647 -4.352 5.073) 8.751 4.903 ( -5.056 -2.965 1.220) 5.986 4.903 ( 5.056 -2.965 1.220) 5.986 5.032 ( -9.890 3.319 -1.413) 10.527 5.032 ( 9.890 3.319 -1.413) 10.527 5.441 ( -7.231 -9.201 -4.074) 12.391 5.441 ( 7.231 -9.201 -4.074) 12.391 5.692 ( -1.137 8.086 1.203) 8.253 5.692 ( 1.137 8.086 1.203) 8.253 5.936 ( -3.248 1.170 -1.982) 3.981 5.936 ( 3.248 1.170 -1.982) 3.981 6.007 ( -2.937 3.208 2.268) 4.905 6.007 ( 2.937 3.208 2.268) 4.905 6.107 ( -5.089 0.558 1.609) 5.367 6.107 ( 5.089 0.558 1.609) 5.367 6.710 ( -1.998 -1.470 -1.694) 3.004 6.710 ( 1.998 -1.470 -1.694) 3.004 6.826 ( -4.172 -2.078 -2.000) 5.071 6.826 ( 4.172 -2.078 -2.000) 5.071 19.931 ( -0.655 0.960 -2.036) 2.344 19.931 ( 0.655 0.960 -2.036) 2.344 19.985 ( -0.582 -0.237 -0.772) 0.995 19.985 ( 0.582 -0.237 -0.772) 0.995 20.084 ( -0.465 3.159 2.619) 4.129 20.084 ( 0.465 3.159 2.619) 4.129 20.201 ( -0.501 -0.004 -0.126) 0.517 20.201 ( 0.501 -0.004 -0.126) 0.517 24.888 ( -6.916 -0.192 -0.044) 6.918 24.888 ( 6.916 -0.192 -0.044) 6.918 24.896 ( -6.825 -0.655 -0.175) 6.858 24.896 ( 6.825 -0.655 -0.175) 6.858 31.471 ( -0.306 -0.077 0.305) 0.439 31.471 ( 0.306 -0.077 0.305) 0.439 31.510 ( -0.152 -0.786 -0.275) 0.846 31.510 ( 0.152 -0.786 -0.275) 0.846 42.348 ( -7.677 2.107 0.167) 7.963 42.348 ( 7.677 2.107 0.167) 7.963 42.764 ( -13.074 -1.719 -5.027) 14.112 42.764 ( 13.074 -1.719 -5.027) 14.112 42.994 ( -8.759 6.962 5.284) 12.374 42.994 ( 8.759 6.962 5.284) 12.374 43.232 ( -10.817 4.686 1.848) 11.932 43.232 ( 10.817 4.686 1.848) 11.932 ======================= Grid point 117 (46/100) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 15.756 4.066) 16.272 2.025 ( 0.000 -1.738 -0.296) 1.763 2.130 ( 0.000 9.098 3.236) 9.656 2.321 ( 0.000 -2.680 -1.947) 3.313 2.686 ( 0.000 9.864 -5.775) 11.430 2.733 ( 0.000 -0.005 0.082) 0.083 2.755 ( 0.000 -6.738 -5.326) 8.588 2.856 ( 0.000 3.018 -0.098) 3.020 2.895 ( 0.000 -4.718 -1.850) 5.068 3.023 ( 0.000 -13.819 -2.176) 13.989 3.746 ( 0.000 21.309 6.680) 22.331 3.993 ( 0.000 -4.268 1.351) 4.477 4.091 ( 0.000 1.328 0.954) 1.635 4.200 ( 0.000 -6.292 3.171) 7.045 4.303 ( 0.000 2.555 -1.099) 2.782 4.329 ( 0.000 -0.157 0.791) 0.807 4.423 ( 0.000 1.687 -1.297) 2.128 4.470 ( 0.000 -1.669 -1.199) 2.055 4.548 ( 0.000 5.155 -3.148) 6.040 4.686 ( 0.000 -7.296 -4.459) 8.551 4.988 ( 0.000 1.023 3.194) 3.354 5.010 ( 0.000 -1.082 2.756) 2.961 5.602 ( 0.000 1.401 -1.026) 1.737 5.641 ( 0.000 -0.977 -0.067) 0.979 5.745 ( 0.000 1.475 -5.494) 5.688 5.798 ( 0.000 -2.821 -6.480) 7.068 5.896 ( 0.000 5.445 1.772) 5.726 5.958 ( 0.000 -0.299 1.838) 1.862 5.992 ( 0.000 4.851 6.089) 7.785 6.079 ( 0.000 -2.076 5.936) 6.288 6.199 ( 0.000 6.329 5.214) 8.200 6.344 ( 0.000 -6.668 4.403) 7.991 6.844 ( 0.000 4.079 -1.173) 4.244 6.906 ( 0.000 -1.634 -1.532) 2.240 6.950 ( 0.000 6.365 -3.521) 7.274 7.140 ( 0.000 -11.183 -7.158) 13.278 19.938 ( 0.000 0.630 -1.858) 1.962 19.948 ( 0.000 -0.421 -1.317) 1.382 20.002 ( 0.000 0.674 -1.777) 1.900 20.017 ( 0.000 -0.713 -1.635) 1.784 20.119 ( 0.000 2.358 1.219) 2.655 20.148 ( 0.000 -0.402 0.581) 0.706 20.165 ( 0.000 1.196 2.947) 3.180 20.186 ( 0.000 -0.714 1.683) 1.828 24.472 ( 0.000 0.138 0.030) 0.141 24.475 ( 0.000 -0.201 -0.027) 0.203 25.185 ( 0.000 0.093 0.006) 0.093 25.188 ( 0.000 -0.203 -0.044) 0.208 31.458 ( 0.000 0.483 0.386) 0.618 31.474 ( 0.000 -0.937 0.163) 0.951 31.508 ( 0.000 -0.163 0.071) 0.178 31.510 ( 0.000 -0.277 0.045) 0.281 41.944 ( 0.000 0.392 0.491) 0.628 41.976 ( 0.000 -2.578 -0.149) 2.582 42.049 ( 0.000 4.949 3.221) 5.905 42.120 ( 0.000 -1.937 3.576) 4.067 42.995 ( 0.000 13.340 -7.018) 15.074 43.326 ( 0.000 -17.536 -12.971) 21.812 44.594 ( 0.000 16.490 9.966) 19.268 44.906 ( 0.000 -12.653 2.900) 12.981 ======================= Grid point 118 (47/100) ======================= q-point: ( 0.12 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.631 14.480 3.237) 14.851 2.018 ( -0.930 -5.114 -0.604) 5.233 2.140 ( 1.417 13.655 1.706) 13.834 2.365 ( 4.221 -4.114 -3.159) 6.687 2.579 ( -7.886 3.853 -0.753) 8.809 2.638 ( -8.024 -3.580 -0.113) 8.787 2.767 ( -2.734 2.692 -4.544) 5.947 2.836 ( 1.517 -2.020 -5.556) 6.103 2.968 ( 6.065 0.323 0.712) 6.115 3.119 ( 7.376 -11.425 -2.402) 13.810 3.746 ( -0.214 20.550 7.590) 21.908 4.025 ( 0.864 -6.440 3.559) 7.409 4.122 ( 3.783 1.873 1.456) 4.465 4.194 ( 1.480 -3.199 0.449) 3.553 4.327 ( 2.564 2.651 -0.482) 3.719 4.373 ( 3.786 -1.755 1.139) 4.326 4.487 ( 5.920 1.774 -1.184) 6.293 4.540 ( 5.025 -1.951 -2.467) 5.929 4.570 ( 3.278 4.696 -2.692) 6.328 4.716 ( 3.555 -7.375 -4.060) 9.138 4.984 ( -0.482 1.181 3.278) 3.517 5.011 ( -0.042 -1.286 2.857) 3.134 5.562 ( -4.013 1.921 -1.096) 4.582 5.623 ( -2.280 -3.239 -0.142) 3.964 5.740 ( -0.066 2.892 -5.910) 6.580 5.802 ( 0.337 -2.303 -5.790) 6.241 5.900 ( 0.422 5.212 1.077) 5.339 5.956 ( -0.191 -0.012 2.029) 2.038 5.990 ( -0.116 4.693 5.704) 7.387 6.076 ( -0.299 -2.387 5.578) 6.074 6.187 ( -1.170 5.941 5.153) 7.951 6.320 ( -2.398 -6.054 4.106) 7.698 6.824 ( -1.952 3.866 -1.318) 4.527 6.879 ( -2.578 -0.794 -1.757) 3.220 6.931 ( -2.043 4.961 -2.762) 6.034 7.099 ( -4.050 -10.204 -6.727) 12.875 19.938 ( -0.026 0.762 -1.790) 1.946 19.951 ( 0.208 -0.513 -1.390) 1.496 19.997 ( -0.529 0.693 -1.789) 1.990 20.012 ( -0.489 -0.715 -1.626) 1.843 20.123 ( 0.354 2.382 1.303) 2.738 20.152 ( 0.313 -0.104 0.812) 0.876 20.163 ( -0.087 1.084 2.721) 2.930 20.188 ( 0.190 -0.868 1.552) 1.788 24.508 ( 3.642 0.042 0.008) 3.643 24.511 ( 3.537 -0.173 -0.028) 3.541 25.166 ( -1.987 0.098 0.005) 1.989 25.169 ( -1.973 -0.214 -0.048) 1.985 31.460 ( 0.192 0.503 0.372) 0.654 31.476 ( 0.213 -0.938 0.140) 0.972 31.504 ( -0.421 -0.003 0.097) 0.432 31.508 ( -0.196 -0.374 0.032) 0.423 41.985 ( 3.980 0.765 0.831) 4.137 42.028 ( 5.127 -3.133 0.039) 6.009 42.118 ( 7.147 4.905 2.838) 9.122 42.186 ( 6.716 -1.608 3.142) 7.587 42.956 ( -3.867 12.857 -6.659) 14.986 43.274 ( -5.185 -16.817 -12.311) 21.477 44.474 ( -12.003 15.383 9.458) 21.684 44.754 ( -15.114 -10.521 3.041) 18.664 ======================= Grid point 119 (48/100) ======================= q-point: ( 0.25 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 1.690 11.564 1.879) 11.837 1.993 ( -1.163 -5.578 -0.964) 5.779 2.182 ( 1.939 14.844 -0.561) 14.981 2.407 ( -9.279 -2.105 0.451) 9.526 2.451 ( -3.555 -1.813 -0.889) 4.089 2.492 ( 2.233 -2.862 -3.017) 4.721 2.707 ( -3.464 7.018 -6.023) 9.875 2.855 ( 0.081 -6.284 -7.847) 10.054 3.119 ( 9.026 4.067 3.511) 10.504 3.274 ( 8.283 -8.232 -1.283) 11.748 3.728 ( -1.769 16.159 8.734) 18.453 3.945 ( -7.763 -3.880 7.391) 11.399 4.265 ( 9.742 1.795 -0.163) 9.907 4.308 ( 8.925 -1.588 -0.446) 9.076 4.401 ( 4.891 2.670 0.833) 5.634 4.459 ( 4.676 -2.437 1.137) 5.394 4.564 ( 1.851 1.331 -1.089) 2.527 4.630 ( 3.485 -4.081 -1.835) 5.671 4.707 ( 10.061 5.185 -3.209) 11.764 4.852 ( 9.421 -7.087 -4.042) 12.462 4.965 ( -1.384 1.077 3.530) 3.942 5.002 ( -1.077 -2.080 2.963) 3.778 5.452 ( -7.002 2.686 -1.395) 7.628 5.539 ( -6.090 -5.809 -1.838) 8.614 5.754 ( 1.376 4.167 -4.647) 6.391 5.811 ( 0.694 -0.811 -3.972) 4.113 5.909 ( 0.153 4.561 -0.311) 4.574 5.954 ( 0.110 0.255 2.747) 2.761 5.995 ( 0.765 3.735 3.581) 5.231 6.067 ( -0.583 -2.645 4.421) 5.185 6.157 ( -1.799 4.766 4.949) 7.102 6.257 ( -3.773 -4.525 3.471) 6.838 6.773 ( -2.963 3.426 -1.829) 4.885 6.817 ( -3.459 -0.089 -1.470) 3.760 6.873 ( -3.622 2.833 -1.623) 4.876 6.992 ( -6.443 -7.671 -5.525) 11.440 19.939 ( 0.148 0.964 -1.759) 2.011 19.955 ( 0.287 -0.594 -1.476) 1.617 19.983 ( -0.768 0.749 -1.789) 2.086 20.000 ( -0.690 -0.754 -1.612) 1.909 20.132 ( 0.450 2.453 1.532) 2.927 20.155 ( -0.114 1.867 2.161) 2.858 20.167 ( 0.509 -0.575 1.310) 1.518 20.192 ( 0.172 -1.160 1.294) 1.746 24.608 ( 6.236 -0.124 -0.033) 6.238 24.608 ( 6.181 -0.127 -0.033) 6.182 25.107 ( -3.947 0.085 -0.002) 3.948 25.111 ( -3.965 -0.225 -0.056) 3.971 31.465 ( 0.294 0.551 0.331) 0.707 31.482 ( 0.314 -0.931 0.084) 0.986 31.494 ( -0.532 0.282 0.148) 0.620 31.503 ( -0.276 -0.547 0.007) 0.613 42.093 ( 6.861 2.110 0.870) 7.231 42.168 ( 8.917 -4.880 -0.122) 10.165 42.327 ( 13.800 4.568 2.698) 14.785 42.382 ( 13.058 -0.775 2.638) 13.344 42.854 ( -5.981 11.522 -5.677) 14.169 43.133 ( -8.772 -14.631 -10.476) 20.019 44.145 ( -20.870 12.636 8.059) 25.694 44.349 ( -25.097 -5.860 3.153) 25.964 ======================= Grid point 120 (49/100) ======================= q-point: ( 0.38 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 4.657 8.089 1.585) 9.468 1.992 ( 1.436 -3.267 -0.546) 3.610 2.148 ( -5.888 5.864 1.635) 8.469 2.208 ( -9.803 -0.779 1.739) 9.986 2.416 ( 3.110 9.287 -2.956) 10.230 2.615 ( 2.594 -2.313 -9.262) 9.893 2.630 ( -0.404 3.387 -7.734) 8.452 2.831 ( -2.681 -9.012 -10.590) 14.161 3.314 ( 10.725 5.709 7.232) 14.139 3.437 ( 8.072 -3.874 1.963) 9.166 3.673 ( -4.091 9.052 8.191) 12.875 3.761 ( -10.403 0.603 9.132) 13.856 4.440 ( 6.199 3.439 -0.882) 7.144 4.487 ( 7.719 -0.018 0.467) 7.734 4.534 ( 7.686 0.300 1.166) 7.779 4.535 ( 3.952 1.707 1.546) 4.574 4.608 ( 2.716 -1.811 0.176) 3.269 4.678 ( 3.244 -6.503 -0.621) 7.294 4.879 ( -4.876 1.785 2.248) 5.659 4.920 ( 8.743 3.747 -2.367) 9.803 4.947 ( -2.543 -0.981 1.796) 3.264 5.078 ( 9.405 -7.864 -3.423) 12.728 5.299 ( -8.279 3.153 -1.944) 9.070 5.402 ( -7.520 -6.814 -3.516) 10.740 5.789 ( 2.137 4.438 -2.334) 5.450 5.833 ( 1.424 1.544 -1.637) 2.663 5.899 ( -0.737 2.412 -0.470) 2.566 5.956 ( -0.600 -1.648 0.937) 1.988 6.021 ( 1.757 2.912 2.187) 4.044 6.064 ( 0.867 -1.126 2.863) 3.197 6.117 ( -2.341 3.148 4.117) 5.687 6.180 ( -3.928 -2.670 2.727) 5.476 6.725 ( -1.501 2.918 -2.112) 3.903 6.758 ( -2.200 0.617 -1.274) 2.616 6.801 ( -3.211 0.574 -0.800) 3.359 6.865 ( -5.958 -4.665 -3.755) 8.447 19.944 ( 0.374 1.082 -1.806) 2.138 19.961 ( 0.143 -0.072 -1.763) 1.771 19.969 ( -0.469 0.307 -1.560) 1.657 19.986 ( -0.687 -0.805 -1.566) 1.890 20.140 ( 0.380 2.556 1.812) 3.156 20.151 ( -0.216 2.505 2.256) 3.378 20.178 ( 0.598 -1.099 1.038) 1.626 20.193 ( -0.070 -1.343 1.107) 1.742 24.742 ( 7.333 -0.076 -0.035) 7.333 24.744 ( 7.368 -0.226 -0.061) 7.372 25.012 ( -5.749 0.024 -0.019) 5.749 25.015 ( -5.799 -0.218 -0.061) 5.803 31.471 ( 0.304 0.596 0.279) 0.725 31.484 ( -0.420 0.500 0.193) 0.681 31.488 ( 0.291 -0.900 0.028) 0.946 31.498 ( -0.249 -0.717 -0.013) 0.759 42.248 ( 8.843 3.962 0.100) 9.690 42.368 ( 11.226 -7.189 -1.492) 13.414 42.553 ( 1.095 5.148 0.939) 5.346 42.650 ( 11.045 -2.201 1.282) 11.335 42.827 ( 10.001 7.529 -1.344) 12.590 42.985 ( -1.454 -7.965 -6.561) 10.421 43.688 ( -24.924 9.467 6.099) 27.350 43.816 ( -28.240 -1.739 2.733) 28.426 ======================= Grid point 121 (50/100) ======================= q-point: (-0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -7.422 4.868 2.001) 9.098 1.991 ( 7.422 4.868 2.001) 9.098 2.063 ( -4.662 -1.295 0.959) 4.933 2.063 ( 4.662 -1.295 0.959) 4.933 2.515 ( -5.884 11.445 -6.076) 14.231 2.515 ( 5.884 11.445 -6.076) 14.231 2.749 ( -5.571 -10.126 -12.008) 16.666 2.749 ( 5.571 -10.126 -12.008) 16.666 3.528 ( -10.102 5.442 8.708) 14.405 3.528 ( 10.102 5.442 8.708) 14.405 3.586 ( -6.215 0.872 6.406) 8.968 3.586 ( 6.215 0.872 6.406) 8.968 4.517 ( -2.136 4.206 0.267) 4.725 4.517 ( 2.136 4.206 0.267) 4.725 4.603 ( -2.935 -3.294 -0.434) 4.433 4.603 ( 2.935 -3.294 -0.434) 4.433 4.732 ( -9.477 1.850 2.915) 10.086 4.732 ( 9.477 1.850 2.915) 10.086 4.814 ( -8.291 -4.918 1.713) 9.791 4.814 ( 8.291 -4.918 1.713) 9.791 5.118 ( -8.761 5.149 -3.185) 10.649 5.118 ( 8.761 5.149 -3.185) 10.649 5.255 ( -7.274 -7.983 -3.950) 11.500 5.255 ( 7.274 -7.983 -3.950) 11.500 5.832 ( -1.857 5.366 -0.079) 5.679 5.832 ( 1.857 5.366 -0.079) 5.679 5.918 ( -2.588 -2.739 -1.154) 3.941 5.918 ( 2.588 -2.739 -1.154) 3.941 6.066 ( -2.745 2.648 3.103) 4.917 6.066 ( 2.745 2.648 3.103) 4.917 6.108 ( -3.265 -1.006 1.934) 3.926 6.108 ( 3.265 -1.006 1.934) 3.926 6.725 ( -1.320 2.443 -1.796) 3.307 6.725 ( 1.320 2.443 -1.796) 3.307 6.782 ( -1.937 -2.492 -1.554) 3.518 6.782 ( 1.937 -2.492 -1.554) 3.518 19.953 ( -0.562 1.103 -1.903) 2.270 19.953 ( 0.562 1.103 -1.903) 2.270 19.974 ( -0.556 -0.817 -1.459) 1.762 19.974 ( 0.556 -0.817 -1.459) 1.762 20.146 ( -0.280 2.628 2.056) 3.349 20.146 ( 0.280 2.628 2.056) 3.349 20.188 ( -0.388 -1.319 1.033) 1.720 20.188 ( 0.388 -1.319 1.033) 1.720 24.885 ( -6.834 -0.042 -0.037) 6.834 24.885 ( 6.834 -0.042 -0.037) 6.834 24.887 ( -6.865 -0.221 -0.060) 6.869 24.887 ( 6.865 -0.221 -0.060) 6.869 31.477 ( -0.320 0.596 0.234) 0.715 31.477 ( 0.320 0.596 0.234) 0.715 31.493 ( -0.244 -0.836 -0.009) 0.871 31.493 ( 0.244 -0.836 -0.009) 0.871 42.428 ( -9.063 5.845 -0.987) 10.829 42.428 ( 9.063 5.845 -0.987) 10.829 42.593 ( -10.751 -9.592 -2.959) 14.709 42.593 ( 10.751 -9.592 -2.959) 14.709 43.192 ( -19.934 8.383 3.109) 21.848 43.192 ( 19.934 8.383 3.109) 21.848 43.291 ( -20.891 -0.720 1.823) 20.983 43.291 ( 20.891 -0.720 1.823) 20.983 ======================= Grid point 162 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 0.000 22.190) 22.190 0.873 ( 0.000 0.000 22.694) 22.694 1.640 ( 0.000 0.000 -21.431) 21.431 1.657 ( 0.000 0.000 -18.396) 18.396 1.779 ( 0.000 0.000 44.183) 44.183 2.660 ( 0.000 0.000 4.507) 4.507 2.700 ( 0.000 0.000 10.958) 10.958 2.702 ( 0.000 0.000 1.241) 1.241 2.757 ( 0.000 0.000 -4.509) 4.509 3.188 ( 0.000 0.000 13.194) 13.194 3.426 ( 0.000 0.000 -31.438) 31.438 3.775 ( 0.000 0.000 -13.956) 13.956 3.943 ( 0.000 0.000 -2.204) 2.204 3.991 ( 0.000 0.000 -4.504) 4.504 4.438 ( 0.000 0.000 1.306) 1.306 4.480 ( 0.000 0.000 -0.960) 0.960 4.522 ( 0.000 0.000 5.395) 5.395 4.650 ( 0.000 0.000 -0.832) 0.832 4.680 ( 0.000 0.000 0.361) 0.361 4.717 ( 0.000 0.000 -0.781) 0.781 4.902 ( 0.000 0.000 3.831) 3.831 4.991 ( 0.000 0.000 -0.886) 0.886 5.182 ( 0.000 0.000 7.136) 7.136 5.299 ( 0.000 0.000 0.798) 0.798 5.309 ( 0.000 0.000 2.506) 2.506 5.472 ( 0.000 0.000 7.872) 7.872 5.500 ( 0.000 0.000 -7.720) 7.720 5.865 ( 0.000 0.000 -9.562) 9.562 5.925 ( 0.000 0.000 11.342) 11.342 6.162 ( 0.000 0.000 6.466) 6.466 6.377 ( 0.000 0.000 -11.604) 11.604 6.399 ( 0.000 0.000 -5.126) 5.126 6.901 ( 0.000 0.000 2.707) 2.707 6.964 ( 0.000 0.000 -0.366) 0.366 7.218 ( 0.000 0.000 14.203) 14.203 7.748 ( 0.000 0.000 -11.564) 11.564 19.868 ( 0.000 0.000 0.418) 0.418 19.883 ( 0.000 0.000 -0.303) 0.303 19.965 ( 0.000 0.000 3.334) 3.334 19.969 ( 0.000 0.000 0.546) 0.546 19.992 ( 0.000 0.000 -0.572) 0.572 20.103 ( 0.000 0.000 -3.430) 3.430 20.122 ( 0.000 0.000 2.218) 2.218 20.222 ( 0.000 0.000 -2.585) 2.585 24.473 ( 0.000 0.000 0.288) 0.288 24.485 ( 0.000 0.000 -0.286) 0.286 25.190 ( 0.000 0.000 0.234) 0.234 25.201 ( 0.000 0.000 -0.331) 0.331 31.510 ( 0.000 0.000 0.246) 0.246 31.526 ( 0.000 0.000 -0.506) 0.506 31.547 ( 0.000 0.000 0.155) 0.155 31.550 ( 0.000 0.000 -0.015) 0.015 41.594 ( 0.000 0.000 5.381) 5.381 41.816 ( 0.000 0.000 -5.419) 5.419 42.242 ( 0.000 0.000 1.469) 1.469 42.279 ( 0.000 0.000 -0.360) 0.360 42.620 ( 0.000 0.000 1.017) 1.017 42.661 ( 0.000 0.000 -0.983) 0.983 45.212 ( 0.000 0.000 3.159) 3.159 45.342 ( 0.000 0.000 -3.155) 3.155 ======================= Grid point 163 (52/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 9.470 0.000 19.110) 21.327 0.952 ( 7.481 0.000 18.109) 19.594 1.641 ( -1.589 0.000 -16.840) 16.915 1.672 ( 3.207 0.000 -20.374) 20.625 1.874 ( 9.996 0.000 40.400) 41.618 2.541 ( -11.247 0.000 9.299) 14.593 2.606 ( -5.644 0.000 3.566) 6.676 2.645 ( -5.321 0.000 1.610) 5.559 2.752 ( -5.638 0.000 -3.187) 6.477 3.186 ( 2.012 0.000 1.980) 2.822 3.475 ( 3.493 0.000 -21.663) 21.942 3.746 ( -3.193 0.000 -10.965) 11.421 4.007 ( 6.183 0.000 -2.137) 6.542 4.049 ( 5.596 0.000 -4.157) 6.971 4.457 ( 4.024 0.000 3.686) 5.457 4.546 ( 2.289 0.000 5.074) 5.566 4.551 ( 3.726 0.000 -0.610) 3.775 4.663 ( 1.188 0.000 -0.602) 1.332 4.741 ( 1.593 0.000 1.558) 2.228 4.805 ( 9.309 0.000 -0.677) 9.333 4.994 ( 1.957 0.000 0.475) 2.014 5.083 ( 17.486 0.000 -5.259) 18.260 5.187 ( 0.476 0.000 7.218) 7.233 5.304 ( 0.520 0.000 1.690) 1.768 5.321 ( 1.376 0.000 1.824) 2.285 5.453 ( -1.259 0.000 4.538) 4.710 5.524 ( 1.737 0.000 -4.733) 5.042 5.855 ( -1.017 0.000 -9.403) 9.458 5.906 ( -1.718 0.000 11.762) 11.886 6.122 ( -3.993 0.000 6.210) 7.383 6.350 ( -4.940 0.000 -4.923) 6.974 6.367 ( -1.173 0.000 -11.412) 11.472 6.888 ( -0.923 0.000 2.574) 2.734 6.969 ( 0.162 0.000 -1.132) 1.144 7.168 ( -4.822 0.000 12.793) 13.671 7.615 ( -12.105 0.000 -7.787) 14.393 19.872 ( 0.372 0.000 0.425) 0.564 19.887 ( 0.415 0.000 -0.319) 0.524 19.965 ( -0.387 0.000 0.542) 0.666 19.968 ( 0.297 0.000 3.383) 3.396 19.988 ( -0.419 0.000 -0.561) 0.700 20.094 ( -1.525 0.000 1.333) 2.025 20.111 ( -0.062 0.000 -1.995) 1.996 20.211 ( -1.034 0.000 -2.849) 3.031 24.522 ( 3.699 0.000 -0.105) 3.701 24.536 ( 5.674 0.000 -1.479) 5.863 25.171 ( -1.904 0.000 0.215) 1.916 25.183 ( -1.910 0.000 -0.351) 1.942 31.509 ( -0.143 0.000 0.169) 0.221 31.522 ( -0.516 0.000 -0.450) 0.685 31.541 ( -0.309 0.000 0.069) 0.317 31.547 ( -0.304 0.000 -0.149) 0.339 41.630 ( 3.586 0.000 5.314) 6.411 41.849 ( 3.312 0.000 -5.360) 6.300 42.279 ( 3.856 0.000 2.667) 4.689 42.358 ( 7.917 0.000 -1.204) 8.008 42.571 ( -4.654 0.000 1.603) 4.922 42.636 ( -2.713 0.000 -1.559) 3.130 44.823 ( -42.574 0.000 18.389) 46.376 45.046 ( -17.781 0.000 0.178) 17.782 ======================= Grid point 164 (53/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 14.424 0.000 13.367) 19.665 1.153 ( 12.909 0.000 9.334) 15.930 1.619 ( 0.150 0.000 -12.703) 12.704 1.758 ( 5.196 0.000 -17.459) 18.216 2.146 ( 15.588 0.000 30.029) 33.834 2.306 ( -11.174 0.000 10.372) 15.246 2.443 ( -10.356 0.000 3.281) 10.863 2.517 ( -7.451 0.000 0.645) 7.479 2.541 ( -14.435 0.000 -4.070) 14.998 3.285 ( 7.206 0.000 -9.291) 11.758 3.486 ( -4.823 0.000 -8.472) 9.749 3.672 ( -2.647 0.000 -8.752) 9.144 4.161 ( 8.825 0.000 -2.065) 9.063 4.189 ( 7.998 0.000 -3.407) 8.693 4.559 ( 5.322 0.000 5.205) 7.444 4.601 ( 2.999 0.000 4.214) 5.172 4.629 ( 4.001 0.000 1.458) 4.258 4.688 ( 1.146 0.000 -0.042) 1.147 4.768 ( 2.078 0.000 2.061) 2.927 4.946 ( 3.192 0.000 -5.150) 6.060 5.104 ( 10.914 0.000 9.055) 14.181 5.201 ( 1.063 0.000 7.559) 7.633 5.316 ( 0.413 0.000 4.209) 4.229 5.369 ( 3.507 0.000 0.298) 3.519 5.440 ( 0.554 0.000 3.324) 3.370 5.462 ( 16.912 0.000 -9.251) 19.277 5.559 ( 1.772 0.000 -4.940) 5.248 5.826 ( -1.938 0.000 -8.806) 9.017 5.870 ( -1.262 0.000 11.574) 11.642 6.013 ( -6.762 0.000 5.244) 8.557 6.211 ( -8.949 0.000 -4.299) 9.928 6.325 ( -3.321 0.000 -9.721) 10.272 6.876 ( -0.238 0.000 0.619) 0.664 6.960 ( -1.094 0.000 -2.429) 2.664 7.054 ( -6.002 0.000 9.031) 10.843 7.346 ( -13.838 0.000 -4.529) 14.560 19.882 ( 0.693 0.000 0.439) 0.821 19.899 ( 0.755 0.000 -0.359) 0.836 19.954 ( -0.707 0.000 0.532) 0.884 19.976 ( -0.769 0.000 -0.529) 0.933 19.977 ( 0.580 0.000 3.361) 3.411 20.059 ( -1.661 0.000 2.839) 3.289 20.117 ( 0.488 0.000 -3.342) 3.377 20.186 ( -1.370 0.000 -3.330) 3.600 24.622 ( 6.272 0.000 0.214) 6.275 24.665 ( 7.058 0.000 -2.769) 7.582 25.116 ( -3.767 0.000 0.150) 3.770 25.127 ( -3.708 0.000 -0.428) 3.733 31.504 ( -0.378 0.000 -0.197) 0.426 31.508 ( -0.679 0.000 -0.560) 0.880 31.539 ( 0.025 0.000 -0.113) 0.116 31.543 ( -0.019 0.000 -0.273) 0.274 41.732 ( 6.710 0.000 5.100) 8.428 41.943 ( 6.095 0.000 -5.169) 7.992 42.395 ( 7.994 0.000 6.090) 10.050 42.448 ( -7.746 0.000 2.598) 8.170 42.553 ( -5.722 0.000 -2.524) 6.254 42.586 ( 15.275 0.000 -3.337) 15.636 43.980 ( -38.899 0.000 33.086) 51.067 44.591 ( -27.509 0.000 -5.365) 28.027 ======================= Grid point 165 (54/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 15.941 0.000 2.696) 16.167 1.449 ( 15.596 0.000 7.805) 17.440 1.676 ( 6.121 0.000 -8.527) 10.497 1.844 ( 1.677 0.000 -11.719) 11.839 2.027 ( -13.312 0.000 6.007) 14.604 2.225 ( -17.131 0.000 -4.378) 17.682 2.242 ( -8.080 0.000 3.133) 8.666 2.361 ( -8.143 0.000 -1.843) 8.349 2.537 ( 20.005 0.000 22.813) 30.342 3.273 ( -15.276 0.000 3.900) 15.765 3.438 ( 7.728 0.000 -12.524) 14.716 3.642 ( -1.938 0.000 -11.379) 11.543 4.321 ( 6.670 0.000 -2.077) 6.986 4.333 ( 5.925 0.000 -2.633) 6.484 4.644 ( 3.197 0.000 6.572) 7.308 4.652 ( 2.003 0.000 2.973) 3.585 4.681 ( 1.138 0.000 5.054) 5.180 4.698 ( -0.246 0.000 0.655) 0.700 4.845 ( 5.281 0.000 -0.803) 5.341 4.972 ( -0.095 0.000 -4.643) 4.644 5.230 ( 1.831 0.000 8.053) 8.258 5.307 ( -1.389 0.000 7.185) 7.319 5.341 ( 11.716 0.000 12.518) 17.145 5.443 ( 4.230 0.000 -0.171) 4.233 5.515 ( 7.052 0.000 0.590) 7.077 5.583 ( 0.196 0.000 -4.809) 4.813 5.633 ( -0.330 0.000 5.710) 5.719 5.775 ( -3.497 0.000 -6.542) 7.418 5.883 ( -5.326 0.000 1.838) 5.634 5.923 ( 7.498 0.000 1.056) 7.572 6.015 ( -10.408 0.000 -3.259) 10.906 6.233 ( -6.095 0.000 -6.256) 8.734 6.877 ( 0.242 0.000 -2.817) 2.827 6.934 ( -1.198 0.000 -3.324) 3.533 6.964 ( -2.626 0.000 3.837) 4.650 7.112 ( -9.545 0.000 -4.961) 10.758 19.898 ( 0.909 0.000 0.449) 1.014 19.915 ( 0.891 0.000 -0.392) 0.974 19.939 ( -0.830 0.000 0.499) 0.969 19.959 ( -0.989 0.000 -0.477) 1.098 19.990 ( 0.828 0.000 3.117) 3.225 20.031 ( -1.258 0.000 2.738) 3.013 20.128 ( 0.647 0.000 -3.449) 3.509 20.161 ( -1.115 0.000 -3.588) 3.758 24.758 ( 7.297 0.000 0.349) 7.305 24.802 ( 6.823 0.000 -2.296) 7.199 25.023 ( -5.610 0.000 0.149) 5.612 25.040 ( -5.095 0.000 -0.728) 5.147 31.497 ( -0.260 0.000 -0.623) 0.675 31.498 ( -0.341 0.000 -0.804) 0.873 31.541 ( 0.134 0.000 -0.117) 0.178 31.544 ( 0.041 0.000 -0.287) 0.290 41.887 ( 8.920 0.000 4.690) 10.077 42.080 ( 7.497 0.000 -4.713) 8.855 42.279 ( -9.088 0.000 3.425) 9.712 42.418 ( -7.797 0.000 -3.389) 8.502 42.594 ( 12.500 0.000 11.688) 17.113 42.944 ( 20.177 0.000 -5.128) 20.818 43.351 ( -24.806 0.000 27.445) 36.995 44.019 ( -29.788 0.000 -8.542) 30.988 ======================= Grid point 166 (55/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -12.221 0.000 0.849) 12.250 1.733 ( 12.221 0.000 0.849) 12.250 1.734 ( -11.890 0.000 -0.125) 11.891 1.734 ( 11.890 0.000 -0.125) 11.891 1.909 ( -12.584 0.000 -2.862) 12.906 1.909 ( 12.585 0.000 -2.862) 12.906 2.220 ( -5.120 0.000 -2.535) 5.714 2.220 ( 5.120 0.000 -2.535) 5.714 2.928 ( -19.337 0.000 13.864) 23.793 2.928 ( 19.337 0.000 13.864) 23.793 3.570 ( -5.426 0.000 -12.933) 14.025 3.570 ( 5.426 0.000 -12.933) 14.025 4.394 ( -0.251 0.000 -2.180) 2.194 4.394 ( 0.251 0.000 -2.180) 2.194 4.682 ( -1.199 0.000 1.637) 2.029 4.682 ( 1.199 0.000 1.637) 2.029 4.683 ( -0.835 0.000 6.856) 6.906 4.683 ( 0.835 0.000 6.856) 6.906 4.938 ( -3.496 0.000 -2.924) 4.557 4.938 ( 3.496 0.000 -2.924) 4.557 5.270 ( -2.156 0.000 8.087) 8.370 5.270 ( 2.156 0.000 8.087) 8.370 5.537 ( -7.967 0.000 12.659) 14.957 5.537 ( 7.967 0.000 12.659) 14.957 5.537 ( -4.518 0.000 -0.721) 4.575 5.537 ( 4.518 0.000 -0.721) 4.575 5.673 ( -7.282 0.000 -3.368) 8.023 5.673 ( 7.282 0.000 -3.368) 8.023 5.858 ( -3.677 0.000 -2.463) 4.426 5.858 ( 3.677 0.000 -2.463) 4.426 6.090 ( -8.324 0.000 -3.364) 8.977 6.090 ( 8.324 0.000 -3.364) 8.977 6.896 ( -1.984 0.000 -2.932) 3.540 6.896 ( 1.984 0.000 -2.932) 3.540 6.981 ( -3.879 0.000 -3.381) 5.146 6.981 ( 3.879 0.000 -3.381) 5.146 19.917 ( -0.883 0.000 0.388) 0.964 19.917 ( 0.883 0.000 0.388) 0.964 19.939 ( -0.954 0.000 -0.350) 1.016 19.939 ( 0.954 0.000 -0.350) 1.016 20.009 ( -1.035 0.000 2.826) 3.010 20.009 ( 1.035 0.000 2.826) 3.010 20.142 ( -0.812 0.000 -3.560) 3.651 20.142 ( 0.812 0.000 -3.560) 3.651 24.899 ( -6.764 0.000 0.232) 6.768 24.899 ( 6.764 0.000 0.232) 6.768 24.930 ( -5.948 0.000 -1.365) 6.102 24.930 ( 5.948 0.000 -1.365) 6.102 31.495 ( -0.032 0.000 -0.824) 0.825 31.495 ( 0.032 0.000 -0.824) 0.825 31.543 ( -0.093 0.000 -0.205) 0.225 31.543 ( 0.093 0.000 -0.205) 0.225 42.071 ( -9.371 0.000 3.738) 10.089 42.071 ( 9.371 0.000 3.738) 10.089 42.258 ( -8.010 0.000 -3.730) 8.836 42.258 ( 8.010 0.000 -3.730) 8.836 42.888 ( -17.445 0.000 18.857) 25.689 42.888 ( 17.445 0.000 18.857) 25.689 43.460 ( -26.438 0.000 -7.747) 27.549 43.460 ( 26.438 0.000 -7.747) 27.549 ======================= Grid point 171 (56/100) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 9.987 19.823) 22.197 1.152 ( 0.000 22.251 14.665) 26.649 1.702 ( 0.000 3.983 -14.931) 15.453 1.803 ( 0.000 12.212 -18.045) 21.789 1.957 ( 0.000 19.229 36.266) 41.048 2.617 ( 0.000 -5.006 11.016) 12.100 2.704 ( 0.000 4.531 1.147) 4.674 2.760 ( 0.000 4.587 2.180) 5.079 2.812 ( 0.000 4.517 -2.808) 5.318 3.145 ( 0.000 -3.815 12.007) 12.599 3.439 ( 0.000 1.849 -29.822) 29.879 3.667 ( 0.000 -7.689 -12.966) 15.074 4.040 ( 0.000 5.876 -1.433) 6.048 4.079 ( 0.000 6.341 -3.791) 7.388 4.373 ( 0.000 -4.299 0.623) 4.344 4.415 ( 0.000 -3.271 -1.238) 3.498 4.568 ( 0.000 -0.317 3.752) 3.765 4.605 ( 0.000 -5.664 0.057) 5.665 4.677 ( 0.000 -4.079 2.588) 4.831 4.706 ( 0.000 0.908 -1.490) 1.745 4.818 ( 0.000 2.859 3.249) 4.328 4.926 ( 0.000 -3.533 -1.986) 4.053 5.290 ( 0.000 8.706 6.912) 11.116 5.430 ( 0.000 9.772 1.965) 9.968 5.431 ( 0.000 5.406 7.512) 9.255 5.594 ( 0.000 7.882 -5.448) 9.581 5.667 ( 0.000 15.425 -0.281) 15.428 5.852 ( 0.000 -5.435 9.307) 10.777 5.906 ( 0.000 3.819 -8.509) 9.327 6.205 ( 0.000 -10.017 -8.103) 12.884 6.214 ( 0.000 3.606 7.376) 8.210 6.500 ( 0.000 3.434 -7.120) 7.905 6.886 ( 0.000 -1.154 1.781) 2.123 6.926 ( 0.000 -3.385 0.412) 3.410 7.126 ( 0.000 -8.005 11.992) 14.419 7.613 ( 0.000 -10.866 -11.308) 15.683 19.909 ( 0.000 2.583 0.269) 2.597 19.919 ( 0.000 2.942 -0.223) 2.951 19.934 ( 0.000 -0.849 2.607) 2.742 19.979 ( 0.000 0.181 1.003) 1.019 19.989 ( 0.000 -0.134 -0.694) 0.707 20.091 ( 0.000 -1.073 -3.700) 3.852 20.130 ( 0.000 0.826 2.222) 2.371 20.210 ( 0.000 -0.776 -1.825) 1.983 24.473 ( 0.000 -0.023 0.271) 0.272 24.484 ( 0.000 -0.090 -0.269) 0.284 25.189 ( 0.000 -0.068 0.217) 0.227 25.200 ( 0.000 -0.151 -0.303) 0.338 31.500 ( 0.000 -0.833 0.357) 0.906 31.520 ( 0.000 -0.528 -0.566) 0.774 31.542 ( 0.000 -0.425 0.150) 0.450 31.545 ( 0.000 -0.444 -0.012) 0.444 41.653 ( 0.000 5.415 5.215) 7.518 41.868 ( 0.000 4.642 -5.180) 6.955 42.167 ( 0.000 -5.094 1.798) 5.402 42.223 ( 0.000 -3.849 -0.975) 3.971 42.736 ( 0.000 6.934 3.391) 7.719 42.857 ( 0.000 15.484 -2.783) 15.732 45.063 ( 0.000 -13.091 4.127) 13.726 45.235 ( 0.000 -7.623 -4.466) 8.835 ======================= Grid point 172 (57/100) ======================= q-point: ( 0.12 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 5.295 9.431 17.454) 20.534 1.227 ( 7.285 20.228 13.273) 25.267 1.681 ( -1.614 4.028 -13.586) 14.262 1.838 ( 3.352 12.523 -17.566) 21.831 2.044 ( 8.680 17.649 32.684) 38.146 2.487 ( -9.979 -1.846 10.088) 14.309 2.645 ( -7.360 1.780 -0.005) 7.573 2.720 ( -4.392 4.100 3.221) 6.817 2.775 ( -4.360 4.500 -2.440) 6.724 3.184 ( 4.196 -0.149 6.192) 7.481 3.456 ( 1.427 -0.590 -24.634) 24.682 3.667 ( -0.686 -5.994 -11.149) 12.677 4.086 ( 4.812 5.514 -1.011) 7.388 4.133 ( 5.225 6.356 -3.668) 9.009 4.384 ( 3.022 -4.807 3.013) 6.427 4.461 ( 2.861 -4.458 -0.073) 5.298 4.596 ( 2.388 -1.483 2.458) 3.734 4.691 ( 2.812 -1.061 3.695) 4.763 4.713 ( 5.883 -2.551 -2.125) 6.755 4.782 ( 4.877 2.661 0.029) 5.556 4.923 ( 10.988 -6.851 -0.584) 12.962 4.943 ( 4.394 -1.985 -1.331) 5.002 5.293 ( 0.331 8.625 6.915) 11.060 5.420 ( -0.284 6.809 4.898) 8.393 5.455 ( 1.813 8.115 4.818) 9.611 5.600 ( 0.670 7.759 -5.598) 9.591 5.668 ( 0.095 14.260 -0.872) 14.287 5.829 ( -2.204 -5.407 9.205) 10.901 5.895 ( -1.073 3.663 -8.465) 9.286 6.144 ( -4.659 -4.191 -0.276) 6.273 6.214 ( -1.595 -2.006 -0.322) 2.583 6.463 ( -3.673 3.095 -6.758) 8.291 6.871 ( -1.103 -1.418 1.711) 2.481 6.932 ( 0.204 -3.265 -0.452) 3.302 7.080 ( -4.337 -7.518 10.763) 13.826 7.505 ( -10.068 -9.022 -8.987) 16.233 19.909 ( 0.026 1.563 0.288) 1.590 19.915 ( -0.274 2.605 0.297) 2.637 19.939 ( 0.458 0.025 1.759) 1.817 19.977 ( -0.148 0.232 1.039) 1.075 19.986 ( -0.192 -0.034 -0.422) 0.465 20.092 ( -0.140 -0.751 -2.527) 2.640 20.117 ( -0.908 1.000 1.425) 1.964 20.202 ( -0.736 -0.512 -2.042) 2.230 24.521 ( 3.664 -0.125 -0.120) 3.668 24.527 ( 5.117 -0.609 -0.809) 5.217 25.170 ( -1.919 -0.081 0.200) 1.931 25.181 ( -1.924 -0.161 -0.321) 1.957 31.500 ( -0.069 -0.783 0.307) 0.844 31.518 ( -0.327 -0.388 -0.531) 0.735 31.534 ( -0.506 -0.543 0.156) 0.758 31.542 ( -0.329 -0.428 -0.163) 0.564 41.694 ( 4.090 5.869 5.097) 8.784 41.905 ( 3.664 4.996 -5.109) 8.030 42.203 ( 3.679 -5.016 2.734) 6.795 42.292 ( 6.849 -4.231 -1.738) 8.236 42.705 ( -2.941 7.602 3.242) 8.772 42.821 ( -3.552 14.755 -2.596) 15.397 44.807 ( -34.563 -1.500 9.181) 35.793 44.913 ( -18.215 -11.006 1.563) 21.339 ======================= Grid point 173 (58/100) ======================= q-point: ( 0.25 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 10.653 7.115 11.469) 17.194 1.418 ( 11.678 16.793 10.568) 23.023 1.662 ( 0.310 4.229 -11.257) 12.029 1.924 ( 5.053 13.088 -15.464) 20.880 2.206 ( -3.348 2.463 13.378) 14.009 2.346 ( 6.360 10.366 21.248) 24.482 2.447 ( -11.884 0.408 -1.687) 12.010 2.571 ( -10.711 2.930 2.376) 11.356 2.654 ( -7.140 9.364 -1.542) 11.876 3.297 ( 6.824 1.810 -3.740) 7.989 3.456 ( -3.245 -2.004 -11.960) 12.553 3.630 ( -2.168 -3.271 -9.108) 9.918 4.221 ( 8.263 4.770 -1.265) 9.624 4.260 ( 6.956 5.631 -3.162) 9.491 4.464 ( 4.222 -5.597 4.398) 8.276 4.539 ( 4.871 -4.309 1.073) 6.591 4.652 ( 3.528 -1.397 2.550) 4.572 4.760 ( 4.238 2.432 1.707) 5.176 4.786 ( 2.346 4.460 1.170) 5.173 4.891 ( 4.304 -3.165 -1.959) 5.690 5.015 ( 7.326 -5.461 5.889) 10.870 5.230 ( 12.844 -6.679 -4.115) 15.050 5.306 ( 1.230 8.002 6.417) 10.331 5.418 ( 0.036 5.482 5.585) 7.826 5.509 ( 3.898 8.305 4.238) 10.106 5.626 ( 2.054 6.335 -5.642) 8.728 5.655 ( -2.576 5.877 1.760) 6.653 5.795 ( 0.172 -0.895 3.650) 3.762 5.869 ( -1.095 3.379 -7.622) 8.409 6.030 ( -6.772 -4.165 0.357) 7.958 6.145 ( -5.342 -0.621 -0.069) 5.379 6.368 ( -5.749 2.000 -5.832) 8.429 6.853 ( -0.616 -1.975 0.317) 2.093 6.924 ( -1.117 -3.232 -1.983) 3.953 6.977 ( -5.415 -6.541 7.691) 11.457 7.270 ( -12.627 -6.315 -6.226) 15.430 19.907 ( -0.247 -0.197 0.529) 0.616 19.913 ( 0.017 2.083 0.033) 2.084 19.947 ( 0.198 0.765 0.707) 1.060 19.972 ( -0.392 0.559 0.094) 0.689 19.987 ( 0.452 0.364 1.459) 1.570 20.076 ( -1.268 1.002 1.934) 2.520 20.114 ( 0.504 0.055 -2.709) 2.756 20.184 ( -1.017 0.064 -2.477) 2.678 24.620 ( 6.247 -0.181 0.145) 6.251 24.651 ( 6.989 -1.162 -1.863) 7.326 25.114 ( -3.786 -0.116 0.138) 3.790 25.125 ( -3.773 -0.219 -0.379) 3.798 31.497 ( -0.241 -0.605 0.054) 0.654 31.506 ( -0.674 -0.204 -0.397) 0.808 31.530 ( 0.007 -0.760 -0.135) 0.772 31.536 ( -0.185 -0.535 -0.315) 0.648 41.810 ( 7.548 7.048 4.661) 11.330 42.007 ( 6.568 5.750 -4.920) 10.020 42.310 ( 7.143 -4.381 5.066) 9.792 42.451 ( 5.578 -2.193 -1.970) 6.309 42.659 ( 1.717 6.934 1.286) 7.258 42.729 ( -4.986 12.185 -1.816) 13.291 44.040 ( -38.330 5.953 22.679) 44.933 44.477 ( -26.189 -10.024 -3.642) 28.278 ======================= Grid point 174 (59/100) ======================= q-point: ( 0.38 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 14.657 4.278 5.146) 16.112 1.642 ( 9.022 10.000 4.870) 14.322 1.738 ( 9.305 7.370 -5.522) 13.092 1.980 ( -3.525 9.244 -6.271) 11.713 2.009 ( -10.691 0.252 4.122) 11.460 2.234 ( -7.000 3.767 -6.508) 10.273 2.332 ( -11.618 4.927 3.646) 13.135 2.486 ( -7.237 9.778 -2.877) 12.500 2.655 ( 16.420 11.663 18.209) 27.152 3.291 ( -12.738 2.323 1.839) 13.078 3.433 ( 6.663 0.391 -9.345) 11.484 3.602 ( -1.514 -3.153 -10.634) 11.194 4.369 ( 5.676 3.570 -1.223) 6.816 4.378 ( 4.681 3.525 -1.727) 6.109 4.540 ( 3.661 -4.570 4.421) 7.337 4.611 ( 1.792 -2.736 1.657) 3.667 4.739 ( 4.783 2.387 2.750) 6.011 4.821 ( 0.945 7.029 2.992) 7.698 4.850 ( 4.789 1.978 0.296) 5.190 4.939 ( 1.094 -2.270 -3.087) 3.984 5.185 ( 8.670 -9.419 10.505) 16.560 5.319 ( 1.110 6.157 7.643) 9.877 5.381 ( 0.912 5.367 3.919) 6.707 5.453 ( 5.162 -2.574 0.027) 5.769 5.549 ( -6.494 -3.389 7.141) 10.230 5.615 ( 6.052 7.375 1.467) 9.652 5.665 ( 0.806 5.042 -3.977) 6.472 5.793 ( -2.219 2.365 -6.972) 7.689 5.894 ( -5.257 -3.464 -0.739) 6.339 5.918 ( 4.975 1.417 -3.344) 6.160 6.023 ( -5.657 2.551 2.089) 6.548 6.242 ( -7.078 0.607 -4.253) 8.280 6.848 ( 0.010 -2.414 -2.346) 3.367 6.891 ( -1.330 -4.444 -1.519) 4.881 6.902 ( -2.277 -4.848 2.125) 5.762 7.048 ( -9.427 -5.246 -5.553) 12.134 19.904 ( 0.001 -0.646 0.276) 0.702 19.912 ( -0.194 0.041 -0.226) 0.301 19.949 ( 0.139 1.387 0.308) 1.427 19.963 ( -0.498 1.045 -0.222) 1.179 20.003 ( 1.101 0.984 2.415) 2.831 20.051 ( -1.247 1.457 2.547) 3.189 20.128 ( 0.853 0.207 -3.211) 3.329 20.165 ( -0.984 0.489 -2.850) 3.054 24.755 ( 7.304 -0.196 0.264) 7.311 24.790 ( 7.030 -1.056 -1.719) 7.314 25.022 ( -5.624 -0.142 0.114) 5.627 25.036 ( -5.247 -0.401 -0.600) 5.296 31.492 ( -0.167 -0.408 -0.322) 0.546 31.496 ( -0.359 -0.225 -0.516) 0.667 31.532 ( 0.094 -0.791 -0.207) 0.823 31.535 ( -0.033 -0.739 -0.324) 0.807 41.981 ( 9.645 8.262 3.730) 13.236 42.150 ( 7.399 5.993 -4.420) 10.497 42.389 ( -6.596 8.678 2.000) 11.082 42.442 ( 1.027 1.293 2.075) 2.652 42.657 ( 3.537 6.218 5.910) 9.279 42.922 ( 19.746 -2.564 -5.146) 20.566 43.383 ( -28.340 4.211 22.629) 36.510 43.930 ( -28.655 -7.937 -6.960) 30.537 ======================= Grid point 175 (60/100) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -13.650 3.026 1.436) 14.054 1.737 ( 13.650 3.026 1.436) 14.054 1.808 ( -9.308 3.879 -0.330) 10.090 1.808 ( 9.308 3.879 -0.330) 10.090 2.016 ( -13.872 8.460 1.048) 16.282 2.016 ( 13.872 8.460 1.048) 16.282 2.331 ( -7.181 9.371 -5.449) 13.002 2.331 ( 7.181 9.371 -5.449) 13.002 2.994 ( -16.908 6.905 11.035) 21.339 2.994 ( 16.908 6.905 11.035) 21.339 3.545 ( -4.467 -1.704 -10.874) 11.878 3.545 ( 4.467 -1.704 -10.874) 11.878 4.425 ( -0.325 1.968 -0.305) 2.018 4.425 ( 0.325 1.968 -0.305) 2.018 4.604 ( -2.328 -2.163 2.321) 3.936 4.604 ( 2.328 -2.163 2.321) 3.936 4.811 ( -2.157 6.566 3.429) 7.715 4.811 ( 2.157 6.566 3.429) 7.715 4.928 ( -2.509 -0.252 -1.523) 2.945 4.928 ( 2.509 -0.252 -1.523) 2.945 5.319 ( -2.991 -2.712 9.943) 10.731 5.319 ( 2.991 -2.712 9.943) 10.731 5.404 ( -4.711 -0.076 6.808) 8.280 5.404 ( 4.711 -0.076 6.808) 8.280 5.598 ( -6.896 0.425 -1.295) 7.029 5.598 ( 6.896 0.425 -1.295) 7.029 5.727 ( -4.449 3.632 -5.134) 7.704 5.727 ( 4.449 3.632 -5.134) 7.704 5.879 ( -4.206 2.337 1.178) 4.954 5.879 ( 4.206 2.337 1.178) 4.954 6.093 ( -7.882 0.438 -2.805) 8.378 6.093 ( 7.882 0.438 -2.805) 8.378 6.861 ( -1.593 -3.050 -2.066) 4.014 6.861 ( 1.593 -3.050 -2.066) 4.014 6.917 ( -3.856 -5.456 -3.535) 7.559 6.917 ( 3.856 -5.456 -3.535) 7.559 19.907 ( -0.260 -0.830 -0.089) 0.874 19.907 ( 0.260 -0.830 -0.089) 0.874 19.954 ( -0.395 1.475 0.020) 1.527 19.954 ( 0.395 1.475 0.020) 1.527 20.027 ( -1.230 1.374 2.575) 3.167 20.027 ( 1.230 1.374 2.575) 3.167 20.146 ( -0.933 0.501 -3.103) 3.279 20.146 ( 0.933 0.501 -3.103) 3.279 24.897 ( -6.742 -0.170 0.167) 6.746 24.897 ( 6.742 -0.170 0.167) 6.746 24.922 ( -6.123 -0.711 -1.075) 6.257 24.922 ( 6.123 -0.711 -1.075) 6.257 31.491 ( -0.078 -0.285 -0.521) 0.599 31.491 ( 0.078 -0.285 -0.521) 0.599 31.533 ( -0.081 -0.812 -0.269) 0.859 31.533 ( 0.081 -0.812 -0.269) 0.859 42.168 ( -8.236 7.686 1.709) 11.395 42.168 ( 8.236 7.686 1.709) 11.395 42.353 ( -6.135 8.642 -2.342) 10.854 42.353 ( 6.135 8.642 -2.342) 10.854 42.907 ( -18.970 2.240 16.591) 25.301 42.907 ( 18.970 2.240 16.591) 25.301 43.388 ( -25.881 -6.346 -6.943) 27.537 43.388 ( 25.881 -6.346 -6.943) 27.537 ======================= Grid point 180 (61/100) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 15.132 15.143) 21.408 1.539 ( 0.000 15.611 12.027) 19.707 1.823 ( 0.000 7.708 -10.831) 13.293 2.021 ( 0.000 7.841 -12.897) 15.094 2.500 ( 0.000 19.098 13.647) 23.473 2.562 ( 0.000 5.927 12.152) 13.520 2.811 ( 0.000 3.085 -4.014) 5.062 2.897 ( 0.000 11.175 5.983) 12.676 2.905 ( 0.000 3.440 -2.055) 4.007 3.041 ( 0.000 -5.796 9.864) 11.441 3.457 ( 0.000 -8.803 -11.815) 14.734 3.585 ( 0.000 9.891 -23.070) 25.101 4.120 ( 0.000 1.203 1.730) 2.108 4.167 ( 0.000 0.359 -0.571) 0.674 4.318 ( 0.000 0.029 -0.828) 0.829 4.366 ( 0.000 -1.426 -2.478) 2.859 4.490 ( 0.000 -4.249 -0.204) 4.254 4.503 ( 0.000 -3.913 1.228) 4.101 4.561 ( 0.000 -4.665 4.146) 6.241 4.727 ( 0.000 -0.778 -5.968) 6.019 4.928 ( 0.000 3.873 1.695) 4.228 4.957 ( 0.000 6.933 0.697) 6.967 5.487 ( 0.000 7.744 5.596) 9.554 5.553 ( 0.000 8.073 7.384) 10.941 5.611 ( 0.000 5.231 0.746) 5.284 5.744 ( 0.000 -1.692 4.670) 4.967 5.776 ( 0.000 6.755 -2.342) 7.149 5.926 ( 0.000 8.075 2.769) 8.536 5.986 ( 0.000 -10.058 -5.486) 11.457 6.022 ( 0.000 7.149 -3.050) 7.772 6.267 ( 0.000 0.684 8.091) 8.120 6.531 ( 0.000 -0.426 -4.531) 4.551 6.839 ( 0.000 -4.205 3.254) 5.317 6.868 ( 0.000 -0.279 -0.629) 0.688 6.947 ( 0.000 -7.380 5.194) 9.025 7.373 ( 0.000 -11.219 -13.772) 17.763 19.898 ( 0.000 -0.726 1.087) 1.307 19.951 ( 0.000 -0.427 -1.229) 1.301 19.969 ( 0.000 0.262 0.030) 0.264 20.011 ( 0.000 1.369 -0.364) 1.417 20.014 ( 0.000 4.046 1.484) 4.310 20.075 ( 0.000 0.806 -3.061) 3.165 20.154 ( 0.000 1.443 2.137) 2.579 20.201 ( 0.000 -0.009 -0.472) 0.472 24.472 ( 0.000 -0.025 0.222) 0.223 24.481 ( 0.000 -0.152 -0.219) 0.267 25.187 ( 0.000 -0.092 0.170) 0.193 25.196 ( 0.000 -0.225 -0.238) 0.327 31.481 ( 0.000 -0.892 0.592) 1.071 31.506 ( 0.000 -0.732 -0.596) 0.944 31.531 ( 0.000 -0.637 0.136) 0.651 31.533 ( 0.000 -0.669 -0.002) 0.669 41.802 ( 0.000 8.180 4.780) 9.475 41.985 ( 0.000 5.475 -3.703) 6.609 42.069 ( 0.000 -4.025 2.126) 4.552 42.148 ( 0.000 -2.689 -1.735) 3.200 42.811 ( 0.000 0.304 8.115) 8.121 43.178 ( 0.000 12.154 -10.011) 15.746 44.759 ( 0.000 -12.857 9.540) 16.010 45.109 ( 0.000 -4.056 -8.092) 9.052 ======================= Grid point 181 (62/100) ======================= q-point: ( 0.12 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 3.588 14.179 13.578) 19.957 1.587 ( 4.808 14.526 11.688) 19.255 1.808 ( -1.236 7.914 -10.292) 13.042 2.062 ( 3.975 7.837 -13.001) 15.693 2.450 ( -6.549 4.945 8.226) 11.620 2.571 ( 1.561 15.040 13.032) 19.962 2.705 ( -6.800 6.998 0.040) 9.757 2.810 ( -8.236 6.969 5.091) 11.930 2.878 ( -1.915 3.970 -2.607) 5.121 3.157 ( 8.549 -3.310 8.259) 12.339 3.492 ( 2.086 -2.469 -11.419) 11.867 3.585 ( 0.211 7.000 -19.949) 21.143 4.167 ( 4.956 1.122 1.582) 5.322 4.229 ( 5.889 0.627 -0.482) 5.941 4.325 ( 1.597 0.889 0.786) 1.990 4.381 ( 2.169 -2.586 -0.537) 3.418 4.525 ( 2.827 -2.946 1.555) 4.369 4.584 ( 6.433 -5.813 2.318) 8.975 4.696 ( 11.715 -3.554 -2.711) 12.539 4.752 ( 2.982 -2.585 -4.834) 6.240 4.938 ( 1.134 4.477 2.375) 5.194 4.983 ( 2.914 4.995 0.604) 5.815 5.495 ( 0.598 8.854 5.744) 10.571 5.541 ( -1.123 5.809 5.883) 8.343 5.617 ( 0.373 4.050 2.445) 4.746 5.724 ( -1.815 -0.782 4.436) 4.856 5.770 ( -0.430 7.428 -3.112) 8.065 5.920 ( -0.673 6.303 0.932) 6.407 5.950 ( -3.453 -8.558 -4.050) 10.078 6.008 ( -1.351 6.981 -3.227) 7.809 6.247 ( -2.088 0.977 7.572) 7.915 6.489 ( -4.077 -0.486 -3.761) 5.568 6.825 ( -1.554 -3.967 2.372) 4.876 6.860 ( -0.714 -1.978 -0.124) 2.107 6.920 ( -2.532 -5.846 3.935) 7.488 7.300 ( -6.972 -9.749 -12.383) 17.233 19.896 ( -0.198 -0.661 0.914) 1.145 19.948 ( -0.482 -0.410 -1.382) 1.520 19.966 ( -0.118 0.250 0.263) 0.381 20.004 ( -0.425 1.447 -0.102) 1.512 20.021 ( 0.422 3.755 1.232) 3.975 20.080 ( 0.421 0.852 -2.718) 2.880 20.147 ( -0.581 1.710 2.083) 2.757 20.199 ( -0.209 0.219 -0.647) 0.714 24.516 ( 4.274 -0.416 -0.150) 4.297 24.517 ( 3.595 -0.187 -0.135) 3.602 25.168 ( -1.953 -0.107 0.162) 1.963 25.177 ( -1.952 -0.235 -0.252) 1.982 31.481 ( 0.040 -0.852 0.573) 1.028 31.506 ( -0.009 -0.654 -0.611) 0.895 31.522 ( -0.721 -0.595 0.249) 0.967 31.530 ( -0.299 -0.624 -0.153) 0.709 41.854 ( 5.254 8.848 4.600) 11.271 42.031 ( 4.369 5.638 -3.306) 7.862 42.111 ( 4.527 -2.961 2.256) 5.861 42.205 ( 5.862 -3.742 -2.244) 7.307 42.787 ( -2.418 0.312 7.894) 8.262 43.132 ( -4.631 11.924 -9.257) 15.789 44.614 ( -14.349 -11.673 7.532) 19.972 44.837 ( -25.598 1.132 -2.921) 25.789 ======================= Grid point 182 (63/100) ======================= q-point: ( 0.25 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 7.441 11.626 9.819) 16.939 1.717 ( 7.822 11.501 11.364) 17.961 1.793 ( 0.508 7.857 -9.292) 12.179 2.162 ( 5.156 7.893 -10.960) 14.457 2.278 ( -9.487 5.495 4.364) 11.800 2.459 ( -11.124 1.368 -3.380) 11.706 2.605 ( -9.793 0.032 3.890) 10.537 2.734 ( 2.870 16.146 6.664) 17.702 2.848 ( 1.135 13.362 3.595) 13.884 3.316 ( 6.956 -2.743 5.876) 9.510 3.500 ( -1.015 6.866 -10.294) 12.416 3.589 ( -0.395 2.615 -11.878) 12.169 4.306 ( 8.506 1.509 0.572) 8.658 4.366 ( 6.866 0.589 0.785) 6.936 4.368 ( 2.638 0.448 1.372) 3.007 4.465 ( 5.869 -1.905 0.530) 6.193 4.604 ( 5.799 -1.829 2.254) 6.485 4.729 ( 7.539 -6.029 1.647) 9.792 4.811 ( 4.506 -0.135 -2.303) 5.062 4.905 ( 5.813 -2.125 -0.838) 6.246 4.973 ( 2.132 3.942 4.027) 6.025 5.111 ( 10.470 -3.603 -3.042) 11.483 5.472 ( -3.973 3.362 5.648) 7.680 5.535 ( 0.889 5.976 4.052) 7.275 5.606 ( -1.671 1.853 6.113) 6.602 5.710 ( 1.250 5.591 1.555) 5.937 5.766 ( 0.241 5.825 -4.565) 7.405 5.845 ( -6.266 -9.692 -6.079) 13.044 5.916 ( -0.397 6.820 1.790) 7.062 5.978 ( -1.331 6.559 -3.042) 7.352 6.185 ( -4.215 1.916 6.347) 7.856 6.384 ( -6.282 -0.355 -2.493) 6.768 6.785 ( -2.195 -5.399 1.368) 5.986 6.836 ( -1.836 -3.615 0.898) 4.152 6.860 ( -3.173 -3.025 0.237) 4.390 7.126 ( -10.013 -6.838 -9.378) 15.329 19.891 ( -0.229 -0.501 0.426) 0.696 19.931 ( -1.115 -0.183 -1.248) 1.684 19.967 ( 0.173 0.052 0.269) 0.324 19.995 ( -0.444 0.857 -0.324) 1.018 20.031 ( 0.661 3.761 1.607) 4.143 20.087 ( 0.111 1.115 -1.049) 1.535 20.140 ( 0.031 2.021 0.881) 2.205 20.193 ( -0.386 0.724 -1.026) 1.314 24.615 ( 6.196 -0.247 0.023) 6.201 24.627 ( 6.688 -0.958 -0.679) 6.790 25.111 ( -3.843 -0.161 0.115) 3.848 25.119 ( -3.889 -0.286 -0.278) 3.910 31.482 ( -0.002 -0.710 0.483) 0.858 31.501 ( -0.615 -0.269 -0.101) 0.679 31.513 ( -0.073 -0.835 -0.200) 0.862 31.524 ( -0.314 -0.599 -0.386) 0.779 41.996 ( 8.645 9.700 3.599) 13.483 42.141 ( 6.691 4.689 -1.945) 8.399 42.256 ( 10.269 1.089 2.417) 10.605 42.375 ( 10.898 -4.455 -2.758) 12.092 42.731 ( -2.277 -0.282 6.765) 7.143 43.003 ( -8.252 11.137 -7.001) 15.528 44.200 ( -31.229 4.608 5.178) 31.989 44.253 ( -26.824 -5.406 2.872) 27.514 ======================= Grid point 183 (64/100) ======================= q-point: ( 0.38 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 11.754 8.419 5.262) 15.385 1.802 ( 3.040 7.133 -1.891) 7.981 1.917 ( 9.112 6.021 6.886) 12.911 2.068 ( -8.684 7.609 2.080) 11.732 2.149 ( -12.095 5.710 -2.012) 13.525 2.368 ( 4.521 6.672 -12.052) 14.498 2.397 ( -9.441 0.999 3.727) 10.199 2.680 ( -6.297 6.541 -8.468) 12.416 3.000 ( 11.112 19.794 11.641) 25.511 3.370 ( -3.604 3.724 0.985) 5.276 3.495 ( 2.085 5.258 -0.063) 5.657 3.569 ( -1.245 2.806 -9.037) 9.545 4.415 ( 2.274 -0.953 3.076) 3.942 4.433 ( 2.511 2.311 2.076) 3.994 4.495 ( 6.966 0.813 -1.178) 7.112 4.572 ( 3.876 -1.000 -0.671) 4.059 4.761 ( 9.378 0.489 1.020) 9.446 4.862 ( 5.993 -3.463 -1.921) 7.183 4.905 ( 4.148 0.157 4.178) 5.889 4.969 ( 1.203 2.751 1.442) 3.331 5.016 ( 2.903 -3.240 8.548) 9.591 5.267 ( -0.657 -7.651 1.943) 7.921 5.388 ( 0.785 -4.838 -1.238) 5.055 5.549 ( 0.261 8.266 3.223) 8.876 5.578 ( -0.927 5.774 5.474) 8.011 5.681 ( -7.180 -6.027 -5.779) 11.012 5.777 ( 1.531 4.853 -2.052) 5.487 5.799 ( 3.368 2.355 -3.821) 5.612 5.902 ( -0.663 6.667 -0.348) 6.709 5.989 ( 2.710 4.053 -0.634) 4.917 6.089 ( -5.086 3.062 4.402) 7.391 6.250 ( -7.255 0.125 -1.607) 7.432 6.755 ( -0.577 -6.471 0.277) 6.503 6.796 ( -1.655 -3.711 -0.107) 4.065 6.809 ( -1.978 -2.794 -1.874) 3.902 6.939 ( -8.390 -4.449 -6.301) 11.397 19.889 ( 0.028 -0.337 -0.192) 0.389 19.909 ( -1.010 -0.154 -1.027) 1.449 19.972 ( 0.291 0.116 0.099) 0.329 19.987 ( -0.443 0.542 -0.316) 0.768 20.047 ( 0.916 3.244 1.916) 3.878 20.081 ( -0.632 1.828 1.177) 2.264 20.150 ( 0.875 1.825 -1.002) 2.258 20.184 ( -0.628 1.206 -1.374) 1.933 24.750 ( 7.315 -0.266 0.101) 7.321 24.766 ( 7.285 -1.034 -0.782) 7.399 25.018 ( -5.652 -0.214 0.054) 5.656 25.026 ( -5.551 -0.463 -0.354) 5.581 31.482 ( 0.026 -0.510 0.316) 0.600 31.490 ( -0.425 -0.287 0.127) 0.528 31.514 ( 0.102 -0.806 -0.464) 0.936 31.519 ( -0.186 -0.674 -0.507) 0.863 42.166 ( 8.230 6.908 1.881) 10.908 42.284 ( 6.797 6.342 -2.906) 9.740 42.477 ( 6.692 2.708 4.844) 8.694 42.558 ( 10.188 7.119 2.106) 12.606 42.821 ( 14.640 -6.598 -0.633) 16.071 42.828 ( -8.294 8.223 -2.200) 11.885 43.556 ( -31.253 11.202 8.319) 34.226 43.741 ( -26.558 -8.108 -1.139) 27.791 ======================= Grid point 184 (65/100) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -12.290 5.864 1.529) 13.703 1.839 ( 12.290 5.864 1.529) 13.703 1.905 ( -6.917 5.556 1.158) 8.947 1.905 ( 6.917 5.556 1.158) 8.947 2.167 ( -11.310 5.510 4.234) 13.274 2.167 ( 11.310 5.510 4.234) 13.274 2.531 ( -8.444 7.417 -11.665) 16.198 2.531 ( 8.444 7.417 -11.665) 16.198 3.218 ( -10.366 13.479 6.620) 18.247 3.218 ( 10.366 13.479 6.620) 18.247 3.542 ( -1.845 2.277 -3.944) 4.914 3.542 ( 1.845 2.277 -3.944) 4.914 4.445 ( -0.658 0.417 3.332) 3.422 4.445 ( 0.658 0.417 3.332) 3.422 4.591 ( -2.135 0.218 -2.014) 2.943 4.591 ( 2.135 0.218 -2.014) 2.943 4.906 ( -3.667 1.781 -0.358) 4.092 4.906 ( 3.667 1.781 -0.358) 4.092 4.959 ( -1.640 2.754 3.238) 4.556 4.959 ( 1.640 2.754 3.238) 4.556 5.124 ( -8.388 -10.148 9.506) 16.239 5.124 ( 8.388 -10.148 9.506) 16.239 5.502 ( -6.623 -5.028 -5.820) 10.150 5.502 ( 6.623 -5.028 -5.820) 10.150 5.575 ( -1.347 6.593 3.661) 7.660 5.575 ( 1.347 6.593 3.661) 7.660 5.816 ( -1.739 4.091 -5.493) 7.066 5.816 ( 1.739 4.091 -5.493) 7.066 5.955 ( -5.453 4.773 3.744) 8.157 5.955 ( 5.453 4.773 3.744) 8.157 6.111 ( -6.498 1.194 -1.154) 6.707 6.111 ( 6.498 1.194 -1.154) 6.707 6.764 ( -1.396 -5.927 -0.915) 6.157 6.764 ( 1.396 -5.927 -0.915) 6.157 6.819 ( -3.457 -2.657 -3.415) 5.538 6.819 ( 3.457 -2.657 -3.415) 5.538 19.894 ( -0.525 -0.225 -0.702) 0.905 19.894 ( 0.525 -0.225 -0.702) 0.905 19.978 ( -0.381 0.321 -0.134) 0.516 19.978 ( 0.381 0.321 -0.134) 0.516 20.065 ( -0.929 2.552 1.915) 3.323 20.065 ( 0.929 2.552 1.915) 3.323 20.169 ( -0.899 1.551 -1.501) 2.338 20.169 ( 0.899 1.551 -1.501) 2.338 24.892 ( -6.578 -0.240 0.042) 6.583 24.892 ( 6.578 -0.240 0.042) 6.583 24.905 ( -6.307 -0.777 -0.538) 6.377 24.905 ( 6.307 -0.777 -0.538) 6.377 31.484 ( -0.191 -0.374 0.188) 0.460 31.484 ( 0.191 -0.374 0.188) 0.460 31.516 ( -0.137 -0.754 -0.522) 0.927 31.516 ( 0.137 -0.754 -0.522) 0.927 42.303 ( -4.937 4.087 -0.082) 6.410 42.303 ( 4.937 4.087 -0.082) 6.410 42.583 ( -8.074 11.459 -0.089) 14.018 42.583 ( 8.074 11.459 -0.089) 14.018 42.986 ( -21.208 4.124 8.247) 23.126 42.986 ( 21.208 4.124 8.247) 23.126 43.245 ( -21.680 -4.853 -3.004) 22.418 43.245 ( 21.680 -4.853 -3.004) 22.418 ======================= Grid point 189 (66/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 15.782 11.170) 19.335 1.842 ( 0.000 13.588 7.623) 15.580 2.007 ( 0.000 8.759 -8.547) 12.238 2.159 ( 0.000 6.012 -8.853) 10.701 2.532 ( 0.000 0.556 3.862) 3.902 2.769 ( 0.000 1.962 2.759) 3.385 2.783 ( 0.000 -5.138 -6.967) 8.656 2.917 ( 0.000 -5.531 6.660) 8.657 2.924 ( 0.000 -1.604 -2.878) 3.295 3.219 ( 0.000 -12.499 -7.734) 14.699 3.386 ( 0.000 28.931 13.005) 31.720 3.891 ( 0.000 14.757 -12.259) 19.184 4.116 ( 0.000 0.250 1.268) 1.292 4.127 ( 0.000 -2.393 0.747) 2.507 4.339 ( 0.000 1.026 0.121) 1.033 4.343 ( 0.000 -1.072 -0.562) 1.211 4.435 ( 0.000 -1.453 -1.694) 2.232 4.435 ( 0.000 -2.737 0.148) 2.741 4.509 ( 0.000 -0.577 2.347) 2.417 4.687 ( 0.000 -2.956 -7.094) 7.685 5.015 ( 0.000 3.277 3.236) 4.605 5.056 ( 0.000 2.326 1.574) 2.809 5.584 ( 0.000 3.009 1.417) 3.326 5.601 ( 0.000 -2.814 0.978) 2.979 5.748 ( 0.000 -0.439 -3.193) 3.223 5.756 ( 0.000 2.789 3.867) 4.768 5.793 ( 0.000 -0.897 -3.280) 3.401 5.921 ( 0.000 5.940 -1.045) 6.031 6.050 ( 0.000 3.977 7.893) 8.839 6.171 ( 0.000 5.660 1.888) 5.966 6.241 ( 0.000 -1.400 10.020) 10.117 6.494 ( 0.000 -2.768 -0.751) 2.868 6.790 ( 0.000 -0.267 2.961) 2.973 6.856 ( 0.000 -1.224 -0.874) 1.504 6.873 ( 0.000 0.465 -2.247) 2.295 7.152 ( 0.000 -9.865 -14.054) 17.171 19.895 ( 0.000 0.334 -0.348) 0.482 19.934 ( 0.000 -0.857 -1.585) 1.802 19.970 ( 0.000 0.079 -0.508) 0.514 20.003 ( 0.000 -1.006 -1.818) 2.078 20.094 ( 0.000 3.227 1.714) 3.654 20.129 ( 0.000 2.657 -0.418) 2.690 20.187 ( 0.000 1.581 2.089) 2.620 20.207 ( 0.000 0.518 0.596) 0.789 24.472 ( 0.000 0.006 0.146) 0.146 24.478 ( 0.000 -0.165 -0.143) 0.218 25.186 ( 0.000 -0.054 0.104) 0.117 25.191 ( 0.000 -0.215 -0.153) 0.264 31.468 ( 0.000 -0.339 0.692) 0.771 31.490 ( 0.000 -0.731 -0.384) 0.826 31.518 ( 0.000 -0.544 0.111) 0.555 31.520 ( 0.000 -0.594 0.015) 0.594 41.954 ( 0.000 3.608 2.596) 4.445 42.019 ( 0.000 -1.986 -1.115) 2.277 42.021 ( 0.000 1.816 3.856) 4.262 42.164 ( 0.000 3.299 -0.811) 3.397 42.798 ( 0.000 0.004 4.684) 4.684 43.258 ( 0.000 -4.950 -17.593) 18.276 44.642 ( 0.000 2.457 14.966) 15.166 45.042 ( 0.000 -3.164 -6.099) 6.871 ======================= Grid point 190 (67/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.393 14.576 9.962) 17.710 1.869 ( 2.667 12.711 7.234) 14.866 1.984 ( -2.125 7.522 -7.942) 11.143 2.195 ( 3.629 5.699 -9.644) 11.775 2.493 ( -4.041 1.877 4.038) 6.013 2.663 ( -6.985 0.142 -1.557) 7.158 2.759 ( -7.601 -1.309 1.283) 7.819 2.824 ( -1.802 -4.958 -5.097) 7.336 3.063 ( 8.308 -4.774 3.655) 10.256 3.199 ( 0.213 4.188 -0.287) 4.203 3.475 ( 6.467 14.901 6.817) 17.616 3.887 ( -0.750 15.618 -11.510) 19.416 4.153 ( 4.478 -0.556 1.914) 4.902 4.198 ( 6.447 -2.210 1.039) 6.894 4.339 ( 0.752 -0.693 1.075) 1.483 4.386 ( 4.394 2.487 -0.155) 5.051 4.480 ( 4.137 -3.802 1.127) 5.731 4.494 ( 4.405 -1.035 -0.130) 4.527 4.591 ( 7.830 -4.497 -1.340) 9.128 4.718 ( 3.620 -2.402 -6.995) 8.235 5.018 ( 0.340 2.805 3.569) 4.552 5.064 ( 0.790 1.982 1.763) 2.768 5.556 ( -4.319 -2.582 1.354) 5.211 5.601 ( 1.360 2.851 1.173) 3.370 5.731 ( -3.409 -6.432 -2.398) 7.665 5.745 ( -0.050 1.271 -2.108) 2.462 5.780 ( -0.439 6.597 1.182) 6.717 5.916 ( -0.550 5.607 -1.337) 5.791 6.043 ( -0.662 4.035 7.481) 8.526 6.156 ( -1.520 5.674 1.694) 6.114 6.233 ( -0.888 -0.931 9.233) 9.322 6.454 ( -3.793 -2.482 -0.483) 4.558 6.763 ( -2.691 -0.847 1.683) 3.285 6.833 ( -1.650 -0.392 -1.270) 2.119 6.871 ( -0.884 -0.070 -1.130) 1.436 7.106 ( -4.558 -8.875 -12.872) 16.286 19.894 ( -0.093 0.387 -0.352) 0.531 19.934 ( -0.099 -0.689 -1.698) 1.835 19.965 ( -0.385 -0.034 -0.425) 0.574 19.999 ( -0.402 -0.995 -1.717) 2.025 20.098 ( 0.378 3.239 1.717) 3.686 20.132 ( 0.275 2.701 -0.308) 2.732 20.184 ( -0.281 1.642 2.049) 2.641 20.208 ( 0.072 0.552 0.431) 0.704 24.510 ( 3.793 -0.161 0.036) 3.797 24.513 ( 3.546 -0.181 -0.107) 3.552 25.166 ( -1.982 -0.061 0.103) 1.986 25.172 ( -1.970 -0.221 -0.164) 1.989 31.469 ( 0.115 -0.311 0.681) 0.757 31.492 ( 0.126 -0.700 -0.411) 0.821 31.511 ( -0.588 -0.410 0.216) 0.749 31.518 ( -0.229 -0.571 -0.089) 0.622 42.022 ( 6.331 1.211 2.209) 6.814 42.041 ( 3.258 3.534 3.093) 5.716 42.099 ( 7.235 -1.506 0.057) 7.390 42.210 ( 4.827 4.092 -1.273) 6.455 42.770 ( -2.746 -0.221 4.788) 5.524 43.212 ( -4.592 -4.722 -16.663) 17.918 44.513 ( -12.899 2.787 13.593) 18.945 44.853 ( -18.515 -0.385 -4.338) 19.020 ======================= Grid point 191 (68/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 3.876 11.593 7.462) 14.321 1.940 ( 1.379 9.409 0.861) 9.548 1.945 ( 1.791 6.526 -0.717) 6.805 2.293 ( 5.882 4.736 -10.865) 13.232 2.380 ( -6.800 4.207 2.739) 8.452 2.506 ( -10.375 3.130 -3.232) 11.309 2.564 ( -9.579 -2.998 3.247) 10.549 2.791 ( -2.505 -3.191 -8.480) 9.401 3.233 ( 8.441 -2.427 4.269) 9.766 3.259 ( 5.981 10.553 4.035) 12.783 3.582 ( 3.775 9.036 4.718) 10.870 3.847 ( -3.399 15.021 -7.106) 16.961 4.282 ( 7.628 -1.008 2.824) 8.196 4.358 ( 9.003 -1.299 1.670) 9.248 4.389 ( 4.663 0.434 0.671) 4.731 4.476 ( 3.963 1.827 1.064) 4.492 4.573 ( 6.223 -2.463 0.553) 6.716 4.628 ( 8.591 -2.219 1.073) 8.938 4.716 ( 4.347 -6.814 -2.628) 8.499 4.858 ( 9.054 -3.155 -6.299) 11.472 5.029 ( 0.745 1.095 4.127) 4.335 5.087 ( 1.756 -0.110 1.904) 2.592 5.433 ( -7.948 -2.537 1.317) 8.446 5.605 ( -5.050 -5.223 -5.998) 9.421 5.658 ( 0.345 -0.631 1.456) 1.624 5.748 ( 0.124 5.476 1.858) 5.784 5.785 ( 1.079 4.172 -1.172) 4.465 5.902 ( -0.762 5.158 -2.264) 5.684 6.030 ( -0.420 4.129 6.162) 7.430 6.117 ( -2.217 5.600 1.303) 6.162 6.203 ( -2.366 0.391 7.172) 7.562 6.360 ( -5.497 -1.803 0.005) 5.786 6.701 ( -3.131 -1.408 -0.051) 3.434 6.791 ( -2.750 -0.613 -1.205) 3.064 6.836 ( -2.491 -0.101 -0.775) 2.610 6.989 ( -6.854 -6.407 -9.616) 13.435 19.892 ( -0.051 0.534 -0.481) 0.721 19.927 ( -0.623 -0.070 -1.772) 1.879 19.960 ( -0.104 -0.472 -0.354) 0.599 19.989 ( -0.535 -0.999 -1.486) 1.869 20.108 ( 0.530 3.269 1.772) 3.756 20.136 ( 0.103 2.794 0.336) 2.816 20.181 ( 0.092 1.632 1.481) 2.205 20.209 ( 0.007 0.661 0.101) 0.668 24.611 ( 6.159 -0.209 -0.040) 6.163 24.612 ( 6.379 -0.444 -0.157) 6.397 25.108 ( -3.917 -0.099 0.082) 3.919 25.114 ( -3.954 -0.242 -0.176) 3.966 31.472 ( 0.159 -0.224 0.642) 0.699 31.494 ( 0.001 -0.463 -0.351) 0.581 31.499 ( -0.496 -0.352 0.262) 0.662 31.512 ( -0.299 -0.526 -0.274) 0.664 42.114 ( 5.045 0.136 2.750) 5.747 42.208 ( 10.386 2.944 0.310) 10.799 42.298 ( 12.892 -0.052 0.799) 12.917 42.373 ( 12.715 6.273 -0.965) 14.211 42.698 ( -4.269 -1.204 5.052) 6.723 43.085 ( -8.199 -3.988 -14.043) 16.743 44.162 ( -22.114 3.342 10.245) 24.600 44.371 ( -29.056 4.836 -0.958) 29.471 ======================= Grid point 192 (69/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 8.289 8.038 5.142) 12.639 1.940 ( 1.493 5.052 -3.024) 6.074 2.033 ( 3.130 6.446 5.434) 8.994 2.236 ( -8.071 4.089 1.254) 9.134 2.258 ( -10.220 6.943 0.097) 12.355 2.402 ( -5.386 1.005 -0.954) 5.561 2.447 ( 5.727 1.099 -11.908) 13.259 2.716 ( -5.164 -2.540 -12.256) 13.540 3.379 ( 7.218 11.189 4.911) 14.192 3.417 ( 8.239 3.442 5.508) 10.491 3.613 ( -0.408 7.923 4.594) 9.167 3.756 ( -5.793 10.963 -0.772) 12.423 4.402 ( 4.537 0.633 3.369) 5.687 4.479 ( 1.804 2.113 1.821) 3.322 4.512 ( 6.402 0.557 -1.602) 6.623 4.564 ( 4.932 -0.019 0.505) 4.958 4.727 ( 9.483 -5.116 2.330) 11.024 4.793 ( 6.583 -4.205 -2.406) 8.173 4.813 ( 7.353 -2.232 2.414) 8.055 4.960 ( 1.052 -2.014 2.123) 3.109 5.033 ( -1.482 -0.653 3.829) 4.157 5.141 ( 0.894 -4.553 -1.291) 4.816 5.274 ( -5.192 -4.108 -1.985) 6.912 5.461 ( -7.835 -9.353 -8.294) 14.753 5.698 ( 2.215 3.895 2.707) 5.236 5.747 ( -0.267 7.660 3.163) 8.291 5.825 ( 2.862 1.131 -2.980) 4.284 5.893 ( -0.125 4.384 -3.733) 5.759 6.035 ( 0.972 4.330 4.122) 6.057 6.081 ( -0.918 4.727 1.516) 5.048 6.140 ( -3.610 1.902 4.484) 6.063 6.246 ( -6.048 -0.631 0.292) 6.088 6.659 ( -0.782 -1.918 -0.929) 2.270 6.729 ( -3.310 -1.336 -1.905) 4.046 6.788 ( -1.832 -0.294 -0.898) 2.062 6.861 ( -5.652 -3.448 -5.247) 8.447 19.893 ( 0.154 0.684 -0.803) 1.066 19.912 ( -0.793 0.473 -1.513) 1.772 19.962 ( 0.275 -0.809 -0.570) 1.027 19.979 ( -0.525 -0.993 -1.186) 1.633 20.118 ( 0.520 3.227 1.852) 3.757 20.135 ( -0.262 2.894 1.345) 3.203 20.188 ( 0.572 1.428 0.446) 1.602 20.207 ( -0.240 0.856 -0.123) 0.897 24.745 ( 7.322 -0.217 -0.004) 7.325 24.749 ( 7.358 -0.549 -0.243) 7.383 25.014 ( -5.701 -0.170 0.028) 5.704 25.018 ( -5.756 -0.302 -0.178) 5.767 31.475 ( 0.180 -0.107 0.584) 0.620 31.486 ( -0.455 -0.028 0.447) 0.638 31.499 ( 0.174 -0.601 -0.475) 0.785 31.507 ( -0.232 -0.523 -0.425) 0.713 42.228 ( 6.448 0.902 2.330) 6.916 42.378 ( 5.424 0.927 -5.273) 7.621 42.553 ( 5.991 2.735 5.948) 8.874 42.691 ( 12.952 -0.437 3.280) 13.368 42.708 ( 19.398 3.961 0.167) 19.799 42.907 ( -8.723 -1.388 -9.939) 13.296 43.683 ( -25.833 3.315 6.446) 26.830 43.773 ( -30.673 8.065 1.240) 31.740 ======================= Grid point 193 (70/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -7.757 4.865 3.470) 9.792 1.953 ( 7.757 4.865 3.470) 9.792 2.029 ( -3.196 5.320 0.596) 6.235 2.029 ( 3.196 5.320 0.596) 6.235 2.273 ( -5.821 5.258 0.647) 7.870 2.273 ( 5.821 5.258 0.647) 7.870 2.592 ( -7.261 -1.141 -14.325) 16.101 2.592 ( 7.261 -1.141 -14.325) 16.101 3.494 ( -2.944 11.628 5.494) 13.193 3.494 ( 2.944 11.628 5.494) 13.193 3.635 ( -5.357 5.444 3.416) 8.367 3.635 ( 5.357 5.444 3.416) 8.367 4.469 ( -2.195 1.986 2.712) 4.014 4.469 ( 2.195 1.986 2.712) 4.014 4.596 ( -1.721 0.324 -2.478) 3.035 4.596 ( 1.721 0.324 -2.478) 3.035 4.885 ( -2.921 -5.048 4.559) 7.402 4.885 ( 2.921 -5.048 4.559) 7.402 4.940 ( -7.649 -2.990 3.376) 8.880 4.940 ( 7.649 -2.990 3.376) 8.880 5.011 ( -7.880 -0.396 0.848) 7.935 5.011 ( 7.880 -0.396 0.848) 7.936 5.325 ( -5.830 -9.085 -8.214) 13.564 5.325 ( 5.830 -9.085 -8.214) 13.564 5.733 ( -1.279 6.414 3.057) 7.219 5.733 ( 1.280 6.414 3.057) 7.219 5.879 ( -1.929 2.035 -3.901) 4.804 5.879 ( 1.929 2.035 -3.901) 4.804 6.062 ( -2.042 4.596 3.315) 6.023 6.062 ( 2.042 4.596 3.315) 6.023 6.135 ( -4.421 0.958 0.864) 4.605 6.135 ( 4.421 0.958 0.864) 4.605 6.673 ( -2.068 -1.964 -1.824) 3.386 6.673 ( 2.068 -1.964 -1.824) 3.386 6.785 ( -1.823 -1.192 -1.992) 2.951 6.785 ( 1.823 -1.192 -1.992) 2.951 19.899 ( -0.502 0.696 -1.181) 1.460 19.899 ( 0.502 0.696 -1.181) 1.460 19.969 ( -0.450 -0.940 -0.861) 1.351 19.969 ( 0.450 -0.940 -0.861) 1.351 20.128 ( -0.431 3.063 1.799) 3.578 20.128 ( 0.431 3.063 1.799) 3.578 20.199 ( -0.530 1.130 -0.068) 1.250 20.199 ( 0.530 1.130 -0.068) 1.250 24.887 ( -5.959 -0.201 -0.031) 5.962 24.887 ( 5.959 -0.201 -0.031) 5.962 24.892 ( -5.921 -0.453 -0.183) 5.942 24.892 ( 5.921 -0.453 -0.183) 5.942 31.479 ( -0.271 -0.033 0.527) 0.594 31.479 ( 0.271 -0.033 0.527) 0.594 31.503 ( -0.185 -0.548 -0.496) 0.762 31.503 ( 0.185 -0.548 -0.496) 0.762 42.353 ( -5.698 1.729 0.356) 5.965 42.353 ( 5.698 1.729 0.356) 5.965 42.685 ( -9.358 -3.965 -3.209) 10.658 42.685 ( 9.358 -3.965 -3.209) 10.658 43.077 ( -3.536 7.631 3.310) 9.038 43.077 ( 3.536 7.631 3.310) 9.038 43.269 ( -4.930 4.638 1.770) 6.997 43.269 ( 4.930 4.638 1.770) 6.997 ======================= Grid point 198 (71/100) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.000 12.498 7.261) 14.454 2.048 ( 0.000 0.395 2.808) 2.836 2.150 ( 0.000 7.963 -2.116) 8.239 2.253 ( 0.000 1.131 -5.288) 5.408 2.577 ( 0.000 3.124 -3.760) 4.888 2.646 ( 0.000 -5.877 -5.490) 8.042 2.765 ( 0.000 0.425 2.430) 2.467 2.855 ( 0.000 -4.847 -2.256) 5.346 2.862 ( 0.000 1.087 1.211) 1.627 2.970 ( 0.000 -9.941 -3.340) 10.487 3.886 ( 0.000 15.452 7.234) 17.061 4.011 ( 0.000 -1.081 0.215) 1.102 4.123 ( 0.000 4.117 2.567) 4.852 4.243 ( 0.000 6.270 -1.099) 6.366 4.294 ( 0.000 -3.121 2.097) 3.760 4.345 ( 0.000 -0.718 0.857) 1.118 4.393 ( 0.000 -0.484 -1.728) 1.795 4.426 ( 0.000 -1.044 -3.641) 3.788 4.508 ( 0.000 1.471 -0.370) 1.516 4.595 ( 0.000 -5.451 -4.580) 7.119 5.058 ( 0.000 1.059 3.667) 3.817 5.071 ( 0.000 -0.278 3.125) 3.137 5.571 ( 0.000 0.558 -2.145) 2.216 5.626 ( 0.000 -2.447 -6.158) 6.626 5.642 ( 0.000 -0.310 0.249) 0.398 5.697 ( 0.000 -3.394 -3.835) 5.121 5.946 ( 0.000 5.447 3.282) 6.359 5.994 ( 0.000 0.698 1.397) 1.562 6.122 ( 0.000 3.084 6.454) 7.153 6.177 ( 0.000 -2.049 3.912) 4.416 6.322 ( 0.000 5.779 7.408) 9.396 6.425 ( 0.000 -3.936 3.445) 5.231 6.813 ( 0.000 2.453 -1.955) 3.137 6.868 ( 0.000 -1.525 -2.493) 2.922 6.879 ( 0.000 2.663 -3.141) 4.118 6.971 ( 0.000 -6.872 -9.716) 11.901 19.906 ( 0.000 0.639 -1.267) 1.419 19.919 ( 0.000 -0.619 -1.572) 1.690 19.974 ( 0.000 0.341 -1.032) 1.087 19.985 ( 0.000 -0.694 -1.534) 1.684 20.144 ( 0.000 1.522 1.172) 1.921 20.159 ( 0.000 0.206 0.375) 0.428 20.215 ( 0.000 0.886 2.101) 2.280 20.219 ( 0.000 0.403 1.612) 1.662 24.473 ( 0.000 0.066 0.052) 0.084 24.475 ( 0.000 -0.129 -0.049) 0.138 25.185 ( 0.000 0.033 0.024) 0.041 25.187 ( 0.000 -0.138 -0.063) 0.151 31.467 ( 0.000 0.255 0.483) 0.546 31.476 ( 0.000 -0.596 0.045) 0.598 31.510 ( 0.000 -0.195 0.073) 0.208 31.510 ( 0.000 -0.254 0.038) 0.257 41.956 ( 0.000 -0.119 0.726) 0.736 41.974 ( 0.000 -1.735 -0.155) 1.742 42.129 ( 0.000 5.010 4.980) 7.064 42.195 ( 0.000 -0.959 3.458) 3.589 42.863 ( 0.000 6.650 -5.274) 8.487 43.060 ( 0.000 -11.247 -13.833) 17.828 44.786 ( 0.000 8.794 9.324) 12.817 44.948 ( 0.000 -6.183 0.793) 6.234 ======================= Grid point 199 (72/100) ======================= q-point: ( 0.12 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -1.168 11.183 5.984) 12.737 2.026 ( -2.367 -1.928 1.287) 3.313 2.140 ( -0.016 10.136 -1.886) 10.310 2.271 ( 1.610 -0.439 -6.560) 6.769 2.545 ( -3.254 2.324 -1.732) 4.358 2.611 ( -3.505 -4.418 -3.261) 6.515 2.727 ( -5.327 0.443 0.496) 5.368 2.762 ( -3.095 -0.525 -1.825) 3.631 2.981 ( 8.469 -1.543 1.088) 8.677 3.067 ( 8.132 -8.502 -2.944) 12.127 3.903 ( 1.119 16.722 8.119) 18.622 4.057 ( 3.865 -0.044 -0.200) 3.870 4.168 ( 4.981 0.802 2.413) 5.592 4.225 ( -1.311 2.862 2.058) 3.761 4.316 ( 2.778 0.625 0.330) 2.867 4.394 ( 3.869 -3.258 0.845) 5.128 4.459 ( 6.736 1.649 -2.116) 7.250 4.476 ( 4.117 0.259 -3.315) 5.292 4.532 ( 2.699 -0.190 -0.877) 2.844 4.626 ( 3.547 -6.062 -4.950) 8.592 5.057 ( -0.177 1.141 3.910) 4.077 5.074 ( 0.200 -0.502 3.279) 3.323 5.530 ( -4.133 0.666 -2.035) 4.655 5.589 ( -4.104 -4.819 -4.791) 7.938 5.654 ( 1.502 2.022 -1.165) 2.775 5.707 ( 1.092 -2.952 -3.791) 4.927 5.940 ( -0.552 5.326 2.830) 6.056 5.986 ( -0.768 0.753 1.056) 1.507 6.115 ( -0.626 3.063 6.271) 7.008 6.169 ( -0.761 -1.960 3.781) 4.326 6.304 ( -1.754 5.138 6.787) 8.691 6.393 ( -3.028 -3.390 3.072) 5.486 6.785 ( -2.601 2.839 -2.409) 4.542 6.846 ( -1.828 -0.557 -1.276) 2.297 6.872 ( -1.240 0.890 -3.425) 3.750 6.941 ( -2.893 -6.071 -8.857) 11.120 19.907 ( 0.055 0.724 -1.213) 1.414 19.921 ( 0.145 -0.611 -1.595) 1.714 19.968 ( -0.558 0.328 -1.046) 1.230 19.980 ( -0.492 -0.755 -1.554) 1.797 20.149 ( 0.500 1.595 1.239) 2.080 20.164 ( 0.522 0.286 0.433) 0.736 20.212 ( -0.280 0.947 2.068) 2.292 20.219 ( -0.063 0.269 1.470) 1.496 24.509 ( 3.598 0.009 0.024) 3.598 24.510 ( 3.539 -0.119 -0.044) 3.541 25.166 ( -1.989 0.036 0.025) 1.990 25.168 ( -1.981 -0.144 -0.068) 1.988 31.469 ( 0.162 0.269 0.468) 0.564 31.478 ( 0.169 -0.588 0.024) 0.612 31.506 ( -0.362 -0.083 0.118) 0.389 31.508 ( -0.229 -0.297 0.007) 0.375 42.005 ( 4.583 0.033 1.139) 4.722 42.029 ( 5.335 -2.111 -0.045) 5.737 42.189 ( 6.402 5.046 4.472) 9.298 42.252 ( 6.041 -0.669 3.108) 6.827 42.831 ( -3.218 6.432 -4.996) 8.757 43.022 ( -3.851 -10.859 -13.164) 17.494 44.655 ( -13.057 8.352 8.745) 17.796 44.800 ( -14.744 -4.885 1.116) 15.572 ======================= Grid point 200 (73/100) ======================= q-point: ( 0.25 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.391 8.459 3.801) 9.282 1.977 ( -1.702 -2.214 -0.814) 2.909 2.161 ( 1.723 9.642 -1.289) 9.879 2.310 ( 1.936 -3.663 -8.353) 9.324 2.449 ( -6.225 2.283 1.973) 6.918 2.510 ( -6.713 -2.743 1.658) 7.439 2.601 ( -6.194 5.919 -4.071) 9.485 2.704 ( -3.554 -4.002 -7.371) 9.109 3.188 ( 12.229 0.244 3.538) 12.733 3.259 ( 11.115 -5.109 -0.561) 12.246 3.903 ( -1.569 14.941 8.941) 17.483 4.058 ( -4.937 2.176 2.814) 6.085 4.288 ( 8.220 1.184 2.628) 8.711 4.321 ( 10.059 -1.977 2.459) 10.543 4.400 ( 5.680 1.789 -0.891) 6.021 4.479 ( 4.968 -4.384 0.425) 6.639 4.537 ( 2.417 2.519 -1.344) 3.740 4.599 ( 3.313 -3.769 -1.425) 5.216 4.641 ( 10.617 3.104 -2.786) 11.407 4.754 ( 8.977 -6.373 -5.994) 12.536 5.045 ( -1.254 0.859 4.521) 4.769 5.070 ( -0.897 -1.362 3.697) 4.041 5.413 ( -7.628 0.845 -2.371) 8.033 5.472 ( -7.632 -4.827 -5.007) 10.325 5.697 ( 2.881 2.089 -1.146) 3.739 5.740 ( 2.334 -1.990 -3.120) 4.375 5.925 ( -0.924 5.000 1.725) 5.369 5.968 ( -0.981 0.811 0.037) 1.274 6.101 ( -0.698 2.841 5.659) 6.370 6.148 ( -1.330 -1.452 3.517) 4.030 6.256 ( -3.053 3.558 5.091) 6.921 6.316 ( -4.553 -2.330 2.281) 5.600 6.725 ( -3.100 3.419 -2.296) 5.154 6.800 ( -2.764 -0.602 -0.257) 2.841 6.827 ( -3.147 -0.393 -3.902) 5.028 6.868 ( -4.220 -4.116 -6.139) 8.510 19.909 ( 0.159 0.913 -1.150) 1.477 19.924 ( 0.173 -0.421 -1.652) 1.714 19.955 ( -0.722 0.192 -1.033) 1.275 19.968 ( -0.664 -0.921 -1.576) 1.942 20.161 ( 0.661 1.769 1.393) 2.346 20.176 ( 0.656 0.578 0.586) 1.053 20.205 ( -0.317 0.914 1.942) 2.170 20.217 ( -0.116 -0.033 1.157) 1.164 24.607 ( 6.206 -0.095 -0.028) 6.207 24.607 ( 6.166 -0.102 -0.036) 6.167 25.108 ( -3.961 0.028 0.017) 3.961 25.109 ( -3.971 -0.151 -0.076) 3.974 31.473 ( 0.243 0.307 0.428) 0.580 31.482 ( 0.250 -0.564 -0.029) 0.618 31.497 ( -0.464 0.118 0.202) 0.520 31.503 ( -0.314 -0.365 -0.048) 0.484 42.118 ( 6.621 1.092 1.710) 6.925 42.165 ( 8.104 -3.240 -0.342) 8.735 42.390 ( 13.932 4.493 3.779) 15.118 42.442 ( 13.276 -0.105 3.036) 13.619 42.744 ( -5.184 6.010 -4.593) 9.170 42.917 ( -6.408 -9.623 -11.380) 16.222 44.297 ( -22.666 7.203 7.224) 24.856 44.401 ( -24.963 -2.038 1.692) 25.103 ======================= Grid point 201 (74/100) ======================= q-point: ( 0.38 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 4.929 5.699 2.984) 8.105 1.984 ( 2.568 -0.898 -0.397) 2.750 2.173 ( -2.115 5.691 0.805) 6.124 2.249 ( -8.925 -1.792 1.649) 9.251 2.366 ( -1.948 3.620 -1.707) 4.451 2.435 ( 2.169 -2.269 -6.802) 7.491 2.493 ( -5.001 6.474 -6.641) 10.537 2.621 ( -4.876 -5.629 -10.832) 13.145 3.440 ( 13.027 2.206 5.500) 14.311 3.487 ( 11.692 -1.138 2.557) 12.022 3.833 ( -5.608 9.473 8.005) 13.612 3.913 ( -9.289 2.465 5.593) 11.119 4.443 ( 6.095 2.886 1.277) 6.863 4.500 ( 6.120 -1.928 0.241) 6.421 4.529 ( 4.346 2.950 0.678) 5.297 4.586 ( 4.995 2.227 0.673) 5.510 4.613 ( 7.322 -4.797 1.742) 8.925 4.665 ( 6.433 -5.364 -0.560) 8.395 4.848 ( 9.447 2.986 -3.362) 10.463 4.907 ( 3.789 -2.465 -2.833) 5.335 5.001 ( -3.527 -0.882 4.251) 5.594 5.043 ( -0.040 -4.486 1.858) 4.855 5.243 ( -9.286 0.805 -3.822) 10.074 5.305 ( -8.842 -5.239 -6.426) 12.121 5.765 ( 3.967 2.557 -0.205) 4.724 5.801 ( 3.844 -0.779 -1.681) 4.267 5.901 ( -1.696 4.299 0.798) 4.690 5.946 ( -1.534 0.231 -1.101) 1.902 6.096 ( 0.492 2.116 4.328) 4.843 6.125 ( -0.626 -0.381 3.040) 3.127 6.188 ( -3.681 2.252 3.098) 5.312 6.224 ( -4.670 -1.361 1.510) 5.094 6.680 ( -1.150 3.388 -1.747) 3.982 6.742 ( -3.223 1.640 -1.208) 3.813 6.764 ( -2.436 -2.746 -3.056) 4.777 6.791 ( -3.282 -2.548 -2.820) 5.022 19.913 ( 0.287 1.113 -1.201) 1.662 19.926 ( -0.101 0.506 -1.695) 1.772 19.944 ( -0.270 -0.619 -1.009) 1.214 19.955 ( -0.586 -1.120 -1.513) 1.972 20.173 ( 0.558 1.943 1.533) 2.537 20.186 ( 0.150 1.551 1.084) 1.898 20.202 ( 0.109 0.088 1.415) 1.422 20.214 ( -0.217 -0.298 0.909) 0.981 24.742 ( 7.331 -0.079 -0.030) 7.332 24.742 ( 7.353 -0.157 -0.064) 7.355 25.012 ( -5.770 -0.011 -0.003) 5.770 25.013 ( -5.799 -0.150 -0.076) 5.802 31.478 ( 0.251 0.347 0.378) 0.571 31.487 ( 0.215 -0.479 -0.070) 0.529 31.489 ( -0.343 0.223 0.263) 0.486 31.497 ( -0.269 -0.438 -0.095) 0.523 42.259 ( 7.729 2.554 1.179) 8.225 42.334 ( 8.946 -4.037 -2.084) 10.034 42.572 ( -4.736 2.364 1.354) 5.463 42.660 ( 1.643 -4.421 -0.949) 4.811 42.812 ( 18.708 4.464 -0.127) 19.234 42.868 ( 11.589 -1.215 -4.731) 12.576 43.802 ( -27.014 5.744 5.260) 28.114 43.864 ( -28.820 0.446 1.837) 28.882 ======================= Grid point 202 (75/100) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -5.468 3.611 3.267) 7.322 2.043 ( 5.468 3.611 3.267) 7.322 2.087 ( -3.111 -0.046 1.443) 3.429 2.087 ( 3.111 -0.046 1.443) 3.430 2.398 ( -4.015 6.396 -5.241) 9.192 2.398 ( 4.015 6.396 -5.241) 9.192 2.521 ( -5.077 -5.029 -11.163) 13.254 2.521 ( 5.077 -5.029 -11.163) 13.254 3.672 ( -7.502 5.227 6.228) 11.063 3.672 ( 7.502 5.227 6.228) 11.063 3.714 ( -8.174 1.219 5.687) 10.032 3.714 ( 8.174 1.219 5.687) 10.032 4.525 ( -2.340 3.337 0.603) 4.120 4.525 ( 2.340 3.337 0.603) 4.120 4.590 ( -2.632 -1.853 -0.850) 3.329 4.590 ( 2.632 -1.853 -0.850) 3.329 4.809 ( -8.575 -0.356 4.946) 9.906 4.809 ( 8.575 -0.356 4.946) 9.906 4.861 ( -8.979 -4.212 3.294) 10.451 4.861 ( 8.979 -4.212 3.294) 10.451 5.041 ( -7.556 3.452 -4.515) 9.455 5.041 ( 7.556 3.452 -4.515) 9.455 5.154 ( -5.524 -7.060 -6.484) 11.064 5.154 ( 5.524 -7.060 -6.484) 11.064 5.840 ( -2.878 3.983 0.932) 5.001 5.840 ( 2.878 3.983 0.932) 5.001 5.894 ( -3.372 -0.929 -1.319) 3.737 5.894 ( 3.372 -0.929 -1.319) 3.737 6.125 ( -2.252 1.717 2.747) 3.945 6.125 ( 2.252 1.717 2.747) 3.945 6.145 ( -2.721 -0.189 1.691) 3.210 6.145 ( 2.721 -0.189 1.691) 3.210 6.687 ( -1.827 2.692 -1.879) 3.757 6.687 ( 1.827 2.692 -1.879) 3.757 6.749 ( -0.809 -2.532 -1.689) 3.149 6.749 ( 0.809 -2.532 -1.689) 3.149 19.920 ( -0.390 1.194 -1.402) 1.883 19.920 ( 0.390 1.194 -1.402) 1.883 19.946 ( -0.358 -1.226 -1.310) 1.829 19.946 ( 0.358 -1.226 -1.310) 1.829 20.182 ( -0.357 2.029 1.546) 2.575 20.182 ( 0.357 2.029 1.546) 2.575 20.208 ( -0.354 -0.384 0.896) 1.037 20.208 ( 0.354 -0.384 0.896) 1.037 24.885 ( -5.454 -0.043 -0.034) 5.454 24.885 ( 5.453 -0.043 -0.034) 5.454 24.886 ( -5.474 -0.168 -0.062) 5.476 24.886 ( 5.474 -0.168 -0.062) 5.477 31.483 ( -0.274 0.349 0.328) 0.552 31.483 ( 0.274 0.349 0.328) 0.552 31.492 ( -0.228 -0.495 -0.108) 0.555 31.492 ( 0.228 -0.495 -0.108) 0.555 42.410 ( -6.686 4.209 -0.756) 7.937 42.410 ( 6.686 4.209 -0.756) 7.937 42.536 ( -7.826 -7.611 -2.626) 11.228 42.536 ( 7.826 -7.611 -2.626) 11.228 43.251 ( -12.695 6.902 2.672) 14.695 43.251 ( 12.695 6.902 2.672) 14.695 43.327 ( -13.392 -0.160 1.689) 13.499 43.327 ( 13.392 -0.160 1.689) 13.499 ======================= Grid point 243 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 0.000 -22.463) 22.463 1.228 ( 0.000 0.000 22.463) 22.463 1.284 ( 0.000 0.000 -21.201) 21.201 1.284 ( 0.000 0.000 21.201) 21.201 2.505 ( 0.000 0.000 -28.744) 28.744 2.505 ( 0.000 0.000 28.744) 28.744 2.708 ( 0.000 0.000 -0.878) 0.878 2.708 ( 0.000 0.000 0.878) 0.878 2.916 ( 0.000 0.000 -16.853) 16.853 2.916 ( 0.000 0.000 16.853) 16.853 3.480 ( 0.000 0.000 -16.871) 16.871 3.480 ( 0.000 0.000 16.871) 16.871 3.934 ( 0.000 0.000 -1.366) 1.366 3.934 ( 0.000 0.000 1.366) 1.366 4.461 ( 0.000 0.000 -1.138) 1.138 4.461 ( 0.000 0.000 1.138) 1.138 4.608 ( 0.000 0.000 -3.557) 3.557 4.608 ( 0.000 0.000 3.557) 3.557 4.695 ( 0.000 0.000 -1.191) 1.191 4.695 ( 0.000 0.000 1.191) 1.191 4.962 ( 0.000 0.000 -2.417) 2.417 4.962 ( 0.000 0.000 2.417) 2.417 5.309 ( 0.000 0.000 -0.877) 0.877 5.309 ( 0.000 0.000 0.877) 0.877 5.345 ( 0.000 0.000 -7.450) 7.450 5.345 ( 0.000 0.000 7.450) 7.450 5.665 ( 0.000 0.000 -11.323) 11.323 5.665 ( 0.000 0.000 11.323) 11.323 6.150 ( 0.000 0.000 -12.454) 12.454 6.150 ( 0.000 0.000 12.454) 12.454 6.287 ( 0.000 0.000 -6.625) 6.625 6.287 ( 0.000 0.000 6.625) 6.625 6.941 ( 0.000 0.000 -1.720) 1.720 6.941 ( 0.000 0.000 1.720) 1.720 7.498 ( 0.000 0.000 -14.796) 14.796 7.498 ( 0.000 0.000 14.796) 14.796 19.876 ( 0.000 0.000 -0.415) 0.415 19.876 ( 0.000 0.000 0.415) 0.415 19.980 ( 0.000 0.000 -0.646) 0.646 19.980 ( 0.000 0.000 0.646) 0.646 20.033 ( 0.000 0.000 -3.845) 3.845 20.033 ( 0.000 0.000 3.845) 3.845 20.170 ( 0.000 0.000 -2.827) 2.827 20.170 ( 0.000 0.000 2.827) 2.827 24.479 ( 0.000 0.000 -0.332) 0.332 24.479 ( 0.000 0.000 0.332) 0.332 25.195 ( 0.000 0.000 -0.325) 0.325 25.195 ( 0.000 0.000 0.325) 0.325 31.517 ( 0.000 0.000 -0.441) 0.441 31.517 ( 0.000 0.000 0.441) 0.441 31.549 ( 0.000 0.000 -0.093) 0.093 31.549 ( 0.000 0.000 0.093) 0.093 41.705 ( 0.000 0.000 -6.225) 6.225 41.705 ( 0.000 0.000 6.225) 6.225 42.266 ( 0.000 0.000 -1.045) 1.045 42.266 ( 0.000 0.000 1.045) 1.045 42.641 ( 0.000 0.000 -1.144) 1.144 42.641 ( 0.000 0.000 1.144) 1.144 45.277 ( 0.000 0.000 -3.646) 3.646 45.277 ( 0.000 0.000 3.646) 3.646 ======================= Grid point 245 (77/100) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 5.598 0.000 -20.824) 21.563 1.284 ( 5.598 0.000 20.824) 21.563 1.301 ( 1.817 0.000 -18.892) 18.979 1.301 ( 1.817 0.000 18.892) 18.979 2.522 ( 0.855 0.000 -20.762) 20.780 2.522 ( 0.855 0.000 20.762) 20.780 2.650 ( -5.744 0.000 -1.127) 5.854 2.650 ( -5.744 0.000 1.127) 5.854 2.824 ( -6.907 0.000 -19.216) 20.420 2.824 ( -6.907 0.000 19.216) 20.420 3.519 ( 2.669 0.000 -12.416) 12.699 3.519 ( 2.669 0.000 12.416) 12.699 3.997 ( 6.090 0.000 -1.188) 6.205 3.997 ( 6.090 0.000 1.188) 6.205 4.521 ( 4.998 0.000 -2.681) 5.672 4.521 ( 4.998 0.000 2.681) 5.672 4.626 ( 1.685 0.000 -3.245) 3.657 4.626 ( 1.685 0.000 3.245) 3.657 4.773 ( 5.649 0.000 -2.035) 6.004 4.773 ( 5.649 0.000 2.035) 6.004 5.022 ( 7.794 0.000 -2.214) 8.103 5.022 ( 7.794 0.000 2.214) 8.103 5.315 ( 0.664 0.000 -1.782) 1.902 5.315 ( 0.664 0.000 1.782) 1.902 5.354 ( 0.943 0.000 -6.819) 6.884 5.354 ( 0.943 0.000 6.819) 6.884 5.658 ( -0.640 0.000 -11.041) 11.059 5.658 ( -0.640 0.000 11.041) 11.059 6.139 ( -1.134 0.000 -12.711) 12.762 6.139 ( -1.134 0.000 12.711) 12.762 6.242 ( -4.492 0.000 -6.372) 7.796 6.242 ( -4.492 0.000 6.372) 7.796 6.933 ( -0.829 0.000 -2.271) 2.417 6.933 ( -0.829 0.000 2.271) 2.417 7.416 ( -7.915 0.000 -12.740) 14.998 7.416 ( -7.915 0.000 12.740) 14.998 19.880 ( 0.389 0.000 -0.428) 0.578 19.880 ( 0.389 0.000 0.428) 0.578 19.976 ( -0.399 0.000 -0.637) 0.752 19.976 ( -0.399 0.000 0.637) 0.752 20.037 ( 0.361 0.000 -3.858) 3.875 20.037 ( 0.361 0.000 3.858) 3.875 20.154 ( -1.478 0.000 -3.113) 3.446 20.154 ( -1.478 0.000 3.113) 3.446 24.522 ( 4.229 0.000 -0.212) 4.235 24.522 ( 4.229 0.000 0.212) 4.235 25.176 ( -1.929 0.000 -0.326) 1.956 25.176 ( -1.929 0.000 0.326) 1.956 31.514 ( -0.337 0.000 -0.359) 0.492 31.514 ( -0.337 0.000 0.359) 0.492 31.544 ( -0.426 0.000 -0.173) 0.460 31.544 ( -0.426 0.000 0.173) 0.460 41.739 ( 3.446 0.000 -6.150) 7.049 41.739 ( 3.446 0.000 6.150) 7.049 42.326 ( 6.081 0.000 -2.205) 6.469 42.326 ( 6.081 0.000 2.205) 6.469 42.604 ( -3.679 0.000 -1.815) 4.102 42.604 ( -3.679 0.000 1.815) 4.102 45.011 ( -25.037 0.000 -4.657) 25.467 45.011 ( -25.037 0.000 4.657) 25.467 ======================= Grid point 247 (78/100) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 5.433 0.000 -13.181) 14.257 1.367 ( 5.433 0.000 13.181) 14.257 1.434 ( 9.296 0.000 -16.742) 19.149 1.434 ( 9.296 0.000 16.742) 19.149 2.421 ( -12.110 0.000 -6.320) 13.660 2.421 ( -12.110 0.000 6.320) 13.660 2.498 ( -9.259 0.000 -2.329) 9.548 2.498 ( -9.259 0.000 2.329) 9.548 2.809 ( 6.736 0.000 -31.745) 32.452 2.809 ( 6.736 0.000 31.745) 32.452 3.539 ( -1.214 0.000 -6.654) 6.764 3.539 ( -1.214 0.000 6.654) 6.764 4.149 ( 8.639 0.000 -0.783) 8.675 4.149 ( 8.639 0.000 0.783) 8.675 4.630 ( 5.841 0.000 -1.843) 6.125 4.630 ( 5.841 0.000 1.843) 6.125 4.664 ( 1.958 0.000 -2.414) 3.108 4.664 ( 1.958 0.000 2.414) 3.108 4.841 ( 1.856 0.000 -5.568) 5.869 4.841 ( 1.856 0.000 5.568) 5.869 5.280 ( 16.087 0.000 -9.764) 18.818 5.280 ( 16.087 0.000 9.764) 18.818 5.338 ( 1.563 0.000 -3.324) 3.673 5.338 ( 1.563 0.000 3.324) 3.673 5.384 ( 2.276 0.000 -4.591) 5.124 5.384 ( 2.276 0.000 4.591) 5.124 5.642 ( -0.961 0.000 -10.036) 10.082 5.642 ( -0.961 0.000 10.036) 10.082 6.108 ( -2.035 0.000 -12.903) 13.063 6.108 ( -2.035 0.000 12.903) 13.063 6.118 ( -7.991 0.000 -5.563) 9.737 6.118 ( -7.991 0.000 5.563) 9.737 6.909 ( -1.636 0.000 -2.633) 3.100 6.909 ( -1.636 0.000 2.633) 3.100 7.222 ( -10.812 0.000 -8.328) 13.648 7.222 ( -10.812 0.000 8.328) 13.648 19.891 ( 0.716 0.000 -0.458) 0.850 19.891 ( 0.716 0.000 0.458) 0.850 19.965 ( -0.731 0.000 -0.610) 0.952 19.965 ( -0.731 0.000 0.610) 0.952 20.046 ( 0.559 0.000 -3.911) 3.951 20.046 ( 0.559 0.000 3.911) 3.951 20.120 ( -1.712 0.000 -3.491) 3.888 20.120 ( -1.712 0.000 3.491) 3.888 24.632 ( 6.633 0.000 -0.980) 6.705 24.632 ( 6.633 0.000 0.980) 6.705 25.120 ( -3.792 0.000 -0.325) 3.806 25.120 ( -3.792 0.000 0.325) 3.806 31.503 ( -0.723 0.000 -0.100) 0.729 31.503 ( -0.723 0.000 0.100) 0.729 31.539 ( -0.023 0.000 -0.112) 0.114 31.539 ( -0.023 0.000 0.112) 0.114 41.837 ( 6.396 0.000 -5.908) 8.707 41.837 ( 6.396 0.000 5.908) 8.707 42.501 ( -6.726 0.000 -2.937) 7.339 42.501 ( -6.726 0.000 2.937) 7.339 42.505 ( 12.148 0.000 -5.338) 13.269 42.505 ( 12.148 0.000 5.338) 13.269 44.412 ( -33.334 0.000 -14.907) 36.515 44.412 ( -33.334 0.000 14.907) 36.515 ======================= Grid point 249 (79/100) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 10.763 0.000 -6.603) 12.628 1.527 ( 10.763 0.000 6.603) 12.628 1.626 ( 9.454 0.000 -10.972) 14.483 1.626 ( 9.454 0.000 10.972) 14.483 2.133 ( -15.790 0.000 -5.346) 16.671 2.133 ( -15.790 0.000 5.346) 16.671 2.308 ( -9.336 0.000 -3.517) 9.977 2.308 ( -9.336 0.000 3.517) 9.977 2.997 ( 10.678 0.000 -24.655) 26.868 2.997 ( 10.678 0.000 24.655) 26.868 3.464 ( -6.063 0.000 -8.724) 10.624 3.464 ( -6.063 0.000 8.724) 10.624 4.304 ( 6.465 0.000 -0.340) 6.474 4.304 ( 6.465 0.000 0.340) 6.474 4.692 ( 0.732 0.000 -1.263) 1.460 4.692 ( 0.732 0.000 1.263) 1.460 4.735 ( 4.387 0.000 -2.076) 4.853 4.735 ( 4.387 0.000 2.076) 4.853 4.870 ( 1.201 0.000 -5.143) 5.281 4.870 ( 1.201 0.000 5.143) 5.281 5.367 ( 1.172 0.000 -3.576) 3.763 5.367 ( 1.172 0.000 3.576) 3.763 5.451 ( 4.444 0.000 -2.871) 5.291 5.451 ( 4.444 0.000 2.871) 5.291 5.566 ( 11.691 0.000 -10.333) 15.603 5.566 ( 11.691 0.000 10.333) 15.603 5.626 ( -0.457 0.000 -7.657) 7.670 5.626 ( -0.457 0.000 7.657) 7.670 5.947 ( -8.744 0.000 -3.916) 9.581 5.947 ( -8.744 0.000 3.916) 9.581 6.060 ( -2.651 0.000 -10.959) 11.275 6.060 ( -2.651 0.000 10.959) 11.275 6.873 ( -1.801 0.000 -2.281) 2.907 6.873 ( -1.801 0.000 2.281) 2.907 7.035 ( -7.251 0.000 -3.674) 8.128 7.035 ( -7.251 0.000 3.674) 8.128 19.907 ( 0.909 0.000 -0.481) 1.029 19.907 ( 0.909 0.000 0.481) 1.029 19.949 ( -0.919 0.000 -0.560) 1.077 19.949 ( -0.919 0.000 0.560) 1.077 20.058 ( 0.572 0.000 -3.875) 3.917 20.058 ( 0.572 0.000 3.875) 3.917 20.092 ( -1.164 0.000 -3.615) 3.798 20.092 ( -1.164 0.000 3.615) 3.798 24.770 ( 7.249 0.000 -1.124) 7.336 24.770 ( 7.249 0.000 1.124) 7.336 25.029 ( -5.457 0.000 -0.457) 5.476 25.029 ( -5.457 0.000 0.457) 5.476 31.491 ( -0.426 0.000 -0.038) 0.428 31.491 ( -0.426 0.000 0.038) 0.428 31.540 ( 0.082 0.000 -0.077) 0.113 31.540 ( 0.082 0.000 0.077) 0.113 41.983 ( 8.308 0.000 -5.412) 9.915 41.983 ( 8.308 0.000 5.412) 9.915 42.349 ( -8.541 0.000 -3.918) 9.396 42.349 ( -8.541 0.000 3.918) 9.396 42.801 ( 18.018 0.000 -9.789) 20.506 42.801 ( 18.018 0.000 9.789) 20.506 43.780 ( -30.183 0.000 -17.692) 34.987 43.780 ( -30.183 0.000 17.692) 34.987 ======================= Grid point 251 (80/100) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -0.000 0.000 -0.000) 0.000 1.721 ( -0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 -0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 -0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 -0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 3.144 ( -0.000 0.000 -0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 -0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 -0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 -0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 -0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 5.512 ( -0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 -0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 -0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 -0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 -0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 -0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 19.922 ( 0.000 0.000 -0.000) 0.000 19.922 ( 0.000 0.000 0.000) 0.000 19.934 ( 0.000 0.000 -0.000) 0.000 19.934 ( 0.000 0.000 0.000) 0.000 20.066 ( -0.000 0.000 -0.000) 0.000 20.066 ( 0.000 0.000 0.000) 0.000 20.077 ( 0.000 0.000 -0.000) 0.000 20.077 ( 0.000 0.000 0.000) 0.000 24.904 ( -0.000 0.000 -0.000) 0.000 24.904 ( -0.000 0.000 0.000) 0.000 24.913 ( 0.000 0.000 -0.000) 0.000 24.913 ( 0.000 0.000 0.000) 0.000 31.486 ( 0.000 0.000 0.000) 0.000 31.486 ( 0.000 0.000 0.000) 0.000 31.541 ( 0.000 0.000 -0.000) 0.000 31.541 ( 0.000 0.000 0.000) 0.000 42.125 ( 0.000 0.000 -0.000) 0.000 42.125 ( 0.000 0.000 0.000) 0.000 42.205 ( -0.000 0.000 -0.000) 0.000 42.205 ( -0.000 0.000 0.000) 0.000 43.143 ( 0.000 0.000 -0.000) 0.000 43.143 ( 0.000 0.000 0.000) 0.000 43.316 ( -0.000 0.000 -0.000) 0.000 43.316 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 261 (81/100) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 7.442 -12.926) 14.915 1.333 ( 0.000 7.442 12.926) 14.915 1.489 ( 0.000 16.788 -10.902) 20.017 1.489 ( 0.000 16.788 10.902) 20.017 2.565 ( 0.000 6.756 -21.604) 22.636 2.565 ( 0.000 6.756 21.604) 22.636 2.761 ( 0.000 3.699 -2.914) 4.708 2.761 ( 0.000 3.699 2.914) 4.708 2.912 ( 0.000 1.399 -20.018) 20.067 2.912 ( 0.000 1.399 20.018) 20.067 3.402 ( 0.000 -6.199 -14.806) 16.052 3.402 ( 0.000 -6.199 14.806) 16.052 4.032 ( 0.000 7.245 -0.968) 7.310 4.032 ( 0.000 7.245 0.968) 7.310 4.392 ( 0.000 -4.428 -1.209) 4.590 4.392 ( 0.000 -4.428 1.209) 4.590 4.608 ( 0.000 -4.381 -0.342) 4.395 4.608 ( 0.000 -4.381 0.342) 4.395 4.692 ( 0.000 0.975 -0.144) 0.985 4.692 ( 0.000 0.975 0.144) 0.985 4.879 ( 0.000 -2.202 -3.108) 3.809 4.879 ( 0.000 -2.202 3.108) 3.809 5.416 ( 0.000 8.007 -5.102) 9.494 5.416 ( 0.000 8.007 5.102) 9.494 5.515 ( 0.000 11.014 -2.032) 11.200 5.515 ( 0.000 11.014 2.032) 11.200 5.740 ( 0.000 7.831 -8.043) 11.225 5.740 ( 0.000 7.831 8.043) 11.225 6.035 ( 0.000 -7.967 -9.793) 12.624 6.035 ( 0.000 -7.967 9.793) 12.624 6.359 ( 0.000 4.012 -7.882) 8.844 6.359 ( 0.000 4.012 7.882) 8.844 6.914 ( 0.000 -2.395 -1.201) 2.680 6.914 ( 0.000 -2.395 1.201) 2.680 7.376 ( 0.000 -10.568 -13.676) 17.283 7.376 ( 0.000 -10.568 13.676) 17.283 19.914 ( 0.000 2.882 -0.297) 2.897 19.914 ( 0.000 2.882 0.297) 2.897 19.972 ( 0.000 -0.424 -1.234) 1.305 19.972 ( 0.000 -0.424 1.234) 1.305 20.021 ( 0.000 -0.935 -3.488) 3.611 20.021 ( 0.000 -0.935 3.488) 3.611 20.172 ( 0.000 0.321 -2.212) 2.235 20.172 ( 0.000 0.321 2.212) 2.235 24.478 ( 0.000 -0.057 -0.312) 0.317 24.478 ( 0.000 -0.057 0.312) 0.317 25.194 ( 0.000 -0.106 -0.300) 0.318 25.194 ( 0.000 -0.106 0.300) 0.318 31.509 ( 0.000 -0.654 -0.542) 0.849 31.509 ( 0.000 -0.654 0.542) 0.849 31.545 ( 0.000 -0.435 -0.086) 0.443 31.545 ( 0.000 -0.435 0.086) 0.443 41.761 ( 0.000 5.093 -6.033) 7.895 41.761 ( 0.000 5.093 6.033) 7.895 42.199 ( 0.000 -4.580 -1.548) 4.835 42.199 ( 0.000 -4.580 1.548) 4.835 42.799 ( 0.000 11.480 -3.340) 11.956 42.799 ( 0.000 11.480 3.340) 11.956 45.148 ( 0.000 -10.575 -4.788) 11.609 45.148 ( 0.000 -10.575 4.788) 11.609 ======================= Grid point 263 (82/100) ======================= q-point: ( 0.12 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 2.386 6.794 -14.647) 16.321 1.358 ( 2.386 6.794 14.647) 16.321 1.525 ( 3.923 16.736 -13.501) 21.857 1.525 ( 3.923 16.736 13.501) 21.857 2.545 ( -3.894 2.895 -11.884) 12.836 2.545 ( -3.894 2.895 11.884) 12.836 2.704 ( -3.940 4.257 -7.083) 9.155 2.704 ( -3.940 4.257 7.083) 9.155 2.867 ( -3.188 5.170 -21.389) 22.235 2.867 ( -3.188 5.170 21.389) 22.235 3.448 ( 3.526 -5.530 -11.682) 13.397 3.448 ( 3.526 -5.530 11.682) 13.397 4.086 ( 5.230 6.782 -1.219) 8.651 4.086 ( 5.230 6.782 1.219) 8.651 4.438 ( 4.062 -5.143 -2.290) 6.942 4.438 ( 4.062 -5.143 2.290) 6.942 4.648 ( 2.953 -2.364 -3.149) 4.922 4.648 ( 2.953 -2.364 3.149) 4.922 4.760 ( 5.894 0.221 -2.363) 6.354 4.760 ( 5.894 0.221 2.363) 6.354 4.925 ( 5.995 -3.661 -0.627) 7.052 4.925 ( 5.995 -3.661 0.627) 7.052 5.421 ( 0.535 7.765 -5.284) 9.408 5.421 ( 0.535 7.765 5.284) 9.408 5.522 ( 0.890 10.799 -1.568) 10.948 5.522 ( 0.890 10.799 1.568) 10.948 5.731 ( -0.841 7.590 -7.863) 10.961 5.731 ( -0.841 7.590 7.863) 10.961 6.008 ( -2.708 -8.511 -9.494) 13.035 6.008 ( -2.708 -8.511 9.494) 13.035 6.326 ( -3.231 4.292 -7.579) 9.290 6.326 ( -3.231 4.292 7.579) 9.290 6.905 ( -0.900 -2.497 -1.841) 3.230 6.905 ( -0.900 -2.497 1.841) 3.230 7.304 ( -6.934 -9.650 -12.026) 16.906 7.304 ( -6.934 -9.650 12.026) 16.906 19.914 ( -0.023 2.426 -0.242) 2.438 19.914 ( -0.023 2.426 0.242) 2.438 19.969 ( -0.282 -0.204 -1.101) 1.155 19.969 ( -0.282 -0.204 1.101) 1.155 20.026 ( 0.453 -0.852 -3.515) 3.645 20.026 ( 0.453 -0.852 3.515) 3.645 20.160 ( -1.087 0.651 -2.420) 2.731 20.160 ( -1.087 0.651 2.420) 2.731 24.520 ( 4.085 -0.199 -0.098) 4.091 24.520 ( 4.085 -0.199 0.098) 4.091 25.175 ( -1.940 -0.115 -0.301) 1.967 25.175 ( -1.940 -0.115 0.301) 1.967 31.508 ( -0.190 -0.562 -0.496) 0.773 31.508 ( -0.190 -0.562 0.496) 0.773 31.538 ( -0.514 -0.459 -0.216) 0.723 31.538 ( -0.514 -0.459 0.216) 0.723 41.799 ( 3.850 5.475 -5.918) 8.934 41.799 ( 3.850 5.475 5.918) 8.934 42.253 ( 5.385 -4.774 -2.468) 7.608 42.253 ( 5.385 -4.774 2.468) 7.608 42.766 ( -3.232 11.483 -3.215) 12.355 42.766 ( -3.232 11.483 3.215) 12.355 44.907 ( -22.856 -8.454 -2.508) 24.498 44.907 ( -22.856 -8.454 2.508) 24.498 ======================= Grid point 265 (83/100) ======================= q-point: ( 0.25 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 4.854 5.952 -12.991) 15.091 1.426 ( 4.854 5.952 12.991) 15.091 1.646 ( 8.132 15.841 -13.738) 22.490 1.646 ( 8.132 15.841 13.738) 22.490 2.371 ( -12.316 -1.585 -6.214) 13.885 2.371 ( -12.316 -1.585 6.214) 13.885 2.603 ( -8.026 6.125 -3.079) 10.555 2.603 ( -8.026 6.125 3.079) 10.555 2.884 ( 5.885 7.846 -28.493) 30.134 2.884 ( 5.885 7.846 28.493) 30.134 3.493 ( 0.342 -3.382 -6.712) 7.523 3.493 ( 0.342 -3.382 6.712) 7.523 4.219 ( 7.696 5.681 -1.090) 9.627 4.219 ( 7.696 5.681 1.090) 9.627 4.531 ( 4.966 -5.326 -2.161) 7.596 4.531 ( 4.966 -5.326 2.161) 7.596 4.714 ( 3.966 -0.582 -3.831) 5.544 4.714 ( 3.966 -0.582 3.831) 5.544 4.844 ( 2.786 2.297 -3.124) 4.774 4.844 ( 2.786 2.297 3.124) 4.774 5.131 ( 12.677 -7.424 -6.006) 15.872 5.131 ( 12.677 -7.424 6.006) 15.872 5.436 ( 0.867 6.845 -5.507) 8.828 5.436 ( 0.867 6.845 5.507) 8.828 5.557 ( 2.775 9.533 -2.114) 10.151 5.557 ( 2.775 9.533 2.114) 10.151 5.711 ( -1.056 6.823 -7.310) 10.055 5.711 ( -1.056 6.823 7.310) 10.055 5.932 ( -4.775 -9.099 -7.914) 12.970 5.932 ( -4.775 -9.099 7.914) 12.970 6.240 ( -5.325 4.579 -7.246) 10.091 6.240 ( -5.325 4.579 7.246) 10.091 6.879 ( -1.633 -2.639 -2.249) 3.833 6.879 ( -1.633 -2.639 2.249) 3.833 7.132 ( -9.663 -7.664 -8.226) 14.825 7.132 ( -9.663 -7.664 8.226) 14.825 19.912 ( -0.155 1.074 -0.150) 1.096 19.912 ( -0.155 1.074 0.150) 1.096 19.962 ( -0.359 0.482 -0.803) 1.003 19.962 ( -0.359 0.482 0.803) 1.003 20.039 ( 0.854 -0.523 -3.451) 3.594 20.039 ( 0.854 -0.523 3.451) 3.594 20.135 ( -1.342 1.302 -2.698) 3.283 20.135 ( -1.342 1.302 2.698) 3.283 24.627 ( 6.556 -0.406 -0.716) 6.607 24.627 ( 6.556 -0.406 0.716) 6.607 25.118 ( -3.825 -0.151 -0.293) 3.839 25.118 ( -3.825 -0.151 0.293) 3.839 31.500 ( -0.558 -0.251 -0.252) 0.662 31.500 ( -0.558 -0.251 0.252) 0.662 31.531 ( -0.158 -0.676 -0.191) 0.720 31.531 ( -0.158 -0.676 0.191) 0.720 41.907 ( 6.963 6.341 -5.534) 10.924 41.907 ( 6.963 6.341 5.534) 10.924 42.397 ( 8.138 -4.171 -3.903) 9.942 42.397 ( 8.138 -4.171 3.903) 9.942 42.691 ( -3.009 10.558 -2.042) 11.167 42.691 ( -3.009 10.558 2.042) 11.167 44.348 ( -31.773 -5.109 -10.921) 33.983 44.348 ( -31.773 -5.109 10.921) 33.983 ======================= Grid point 267 (84/100) ======================= q-point: ( 0.38 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 9.184 4.436 -7.282) 12.532 1.562 ( 9.184 4.436 7.282) 12.532 1.818 ( 7.805 14.315 -8.676) 18.469 1.818 ( 7.805 14.315 8.676) 18.469 2.118 ( -11.834 -0.145 -6.003) 13.270 2.118 ( -11.834 -0.145 6.003) 13.270 2.412 ( -10.441 7.183 -4.488) 13.444 2.412 ( -10.441 7.183 4.488) 13.444 3.044 ( 9.090 5.392 -21.474) 23.934 3.044 ( 9.090 5.392 21.474) 23.934 3.450 ( -4.486 -0.539 -6.996) 8.329 3.450 ( -4.486 -0.539 6.996) 8.329 4.359 ( 5.864 4.377 -0.228) 7.320 4.359 ( 5.864 4.377 0.228) 7.320 4.610 ( 2.639 -4.475 -2.226) 5.653 4.610 ( 2.639 -4.475 2.226) 5.653 4.804 ( 4.796 1.469 -3.892) 6.349 4.804 ( 4.796 1.469 3.892) 6.349 4.884 ( 1.194 3.351 -3.054) 4.689 4.884 ( 1.194 3.351 3.054) 4.689 5.348 ( 8.810 -6.523 -5.945) 12.470 5.348 ( 8.810 -6.523 5.945) 12.470 5.456 ( 1.347 4.541 -4.528) 6.553 5.456 ( 1.347 4.541 4.528) 6.553 5.605 ( 0.930 5.074 -3.221) 6.081 5.605 ( 0.930 5.074 3.221) 6.081 5.684 ( -3.177 0.956 -4.340) 5.463 5.684 ( -3.177 0.956 4.340) 5.463 5.866 ( 0.597 -2.450 -0.636) 2.600 5.866 ( 0.597 -2.450 0.636) 2.600 6.126 ( -6.120 3.593 -7.231) 10.132 6.126 ( -6.120 3.593 7.231) 10.132 6.846 ( -1.641 -2.449 -1.857) 3.484 6.846 ( -1.641 -2.449 1.857) 3.484 6.963 ( -6.654 -6.120 -3.673) 9.758 6.963 ( -6.654 -6.120 3.673) 9.758 19.908 ( -0.186 -0.472 -0.186) 0.540 19.908 ( -0.186 -0.472 0.186) 0.540 19.956 ( -0.211 1.297 -0.442) 1.386 19.956 ( -0.211 1.297 0.442) 1.386 20.057 ( 1.011 -0.106 -3.065) 3.229 20.057 ( 1.011 -0.106 3.065) 3.229 20.110 ( -1.142 1.820 -2.673) 3.430 20.110 ( -1.142 1.820 2.673) 3.430 24.765 ( 7.283 -0.442 -0.872) 7.348 24.765 ( 7.283 -0.442 0.872) 7.348 25.026 ( -5.519 -0.231 -0.376) 5.536 25.026 ( -5.519 -0.231 0.376) 5.536 31.490 ( -0.371 -0.055 -0.088) 0.385 31.490 ( -0.371 -0.055 0.088) 0.385 31.530 ( 0.025 -0.843 -0.087) 0.848 31.530 ( 0.025 -0.843 0.087) 0.848 42.062 ( 8.526 6.900 -4.754) 11.954 42.062 ( 8.526 6.900 4.754) 11.954 42.431 ( -5.432 6.486 -2.090) 8.715 42.431 ( -5.432 6.486 2.090) 8.715 42.798 ( 15.067 0.137 -7.853) 16.991 42.798 ( 15.067 0.137 7.853) 16.991 43.733 ( -29.884 -3.658 -14.523) 33.426 43.733 ( -29.884 -3.658 14.523) 33.426 ======================= Grid point 269 (85/100) ======================= q-point: (-0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.000 3.284 -0.000) 3.284 1.754 ( -0.000 3.284 0.000) 3.284 1.791 ( 0.000 4.266 -0.000) 4.266 1.791 ( 0.000 4.266 0.000) 4.266 2.045 ( 0.000 12.705 -0.000) 12.705 2.045 ( 0.000 12.705 0.000) 12.705 2.268 ( 0.000 5.304 -0.000) 5.304 2.268 ( 0.000 5.304 0.000) 5.304 3.167 ( 0.000 3.269 -0.000) 3.269 3.167 ( 0.000 3.269 0.000) 3.269 3.373 ( 0.000 1.592 -0.000) 1.592 3.373 ( 0.000 1.592 0.000) 1.592 4.421 ( 0.000 3.752 -0.000) 3.752 4.421 ( 0.000 3.752 0.000) 3.752 4.633 ( 0.000 -3.898 -0.000) 3.898 4.633 ( 0.000 -3.898 0.000) 3.898 4.874 ( 0.000 6.233 -0.000) 6.233 4.874 ( 0.000 6.233 0.000) 6.233 4.881 ( 0.000 0.238 -0.000) 0.238 4.881 ( -0.000 0.238 0.000) 0.238 5.437 ( -0.000 4.248 -0.000) 4.248 5.437 ( -0.000 4.248 0.000) 4.248 5.511 ( -0.000 -7.841 -0.000) 7.841 5.511 ( -0.000 -7.841 0.000) 7.841 5.581 ( 0.000 -3.630 -0.000) 3.630 5.581 ( 0.000 -3.630 0.000) 3.630 5.617 ( 0.000 3.611 -0.000) 3.611 5.617 ( 0.000 3.611 0.000) 3.611 5.927 ( -0.000 5.140 -0.000) 5.140 5.927 ( -0.000 5.140 0.000) 5.140 6.032 ( 0.000 0.850 -0.000) 0.850 6.032 ( 0.000 0.850 0.000) 0.850 6.826 ( 0.000 -2.093 0.000) 2.093 6.826 ( 0.000 -2.093 0.000) 2.093 6.897 ( 0.000 -5.779 0.000) 5.779 6.897 ( 0.000 -5.779 0.000) 5.779 19.906 ( 0.000 -1.107 -0.000) 1.107 19.906 ( 0.000 -1.107 0.000) 1.107 19.954 ( 0.000 1.625 -0.000) 1.625 19.954 ( 0.000 1.625 0.000) 1.625 20.072 ( -0.000 -0.305 -0.000) 0.305 20.072 ( -0.000 -0.305 0.000) 0.305 20.095 ( 0.000 2.387 -0.000) 2.387 20.095 ( 0.000 2.387 0.000) 2.387 24.901 ( -0.000 -0.302 -0.000) 0.302 24.901 ( -0.000 -0.302 0.000) 0.302 24.909 ( 0.000 -0.393 -0.000) 0.393 24.909 ( 0.000 -0.393 0.000) 0.393 31.486 ( 0.000 -0.005 -0.000) 0.005 31.486 ( 0.000 -0.005 0.000) 0.005 31.531 ( 0.000 -0.894 -0.000) 0.894 31.531 ( 0.000 -0.894 0.000) 0.894 42.192 ( 0.000 5.532 -0.000) 5.532 42.192 ( 0.000 5.532 0.000) 5.532 42.323 ( 0.000 10.552 -0.000) 10.552 42.323 ( 0.000 10.552 0.000) 10.552 43.145 ( 0.000 0.567 -0.000) 0.567 43.145 ( 0.000 0.567 0.000) 0.567 43.248 ( -0.000 -6.187 -0.000) 6.187 43.248 ( -0.000 -6.187 0.000) 6.187 ======================= Grid point 279 (86/100) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.000 12.138 -14.376) 18.815 1.543 ( 0.000 12.138 14.376) 18.815 1.788 ( 0.000 10.993 -11.162) 15.666 1.788 ( 0.000 10.993 11.162) 15.666 2.690 ( 0.000 0.885 -8.459) 8.505 2.690 ( 0.000 0.885 8.459) 8.505 2.825 ( 0.000 2.853 -8.651) 9.110 2.825 ( 0.000 2.853 8.651) 9.110 3.125 ( 0.000 20.127 -20.292) 28.580 3.125 ( 0.000 20.127 20.292) 28.580 3.252 ( 0.000 -7.446 -12.567) 14.607 3.252 ( 0.000 -7.446 12.567) 14.607 4.148 ( 0.000 2.141 -1.341) 2.526 4.148 ( 0.000 2.141 1.341) 2.526 4.327 ( 0.000 -0.946 -1.582) 1.843 4.327 ( 0.000 -0.946 1.582) 1.843 4.499 ( 0.000 -4.638 -0.977) 4.739 4.499 ( 0.000 -4.638 0.977) 4.739 4.637 ( 0.000 -4.103 -4.017) 5.743 4.637 ( 0.000 -4.103 4.017) 5.743 4.953 ( 0.000 6.203 -0.903) 6.268 4.953 ( 0.000 6.203 0.903) 6.268 5.581 ( 0.000 5.605 -3.902) 6.829 5.581 ( 0.000 5.605 3.902) 6.829 5.690 ( 0.000 7.750 -6.398) 10.050 5.690 ( 0.000 7.750 6.398) 10.050 5.845 ( 0.000 -6.981 -5.839) 9.101 5.845 ( 0.000 -6.981 5.839) 9.101 5.989 ( 0.000 10.518 -1.078) 10.573 5.989 ( 0.000 10.518 1.078) 10.573 6.416 ( 0.000 1.243 -7.455) 7.558 6.416 ( 0.000 1.243 7.455) 7.558 6.860 ( 0.000 -2.162 -0.292) 2.181 6.860 ( 0.000 -2.162 0.292) 2.181 7.124 ( 0.000 -11.978 -12.260) 17.140 7.124 ( 0.000 -11.978 12.260) 17.140 19.926 ( 0.000 -1.130 -1.551) 1.919 19.926 ( 0.000 -1.130 1.551) 1.919 19.986 ( 0.000 -0.316 -1.739) 1.768 19.986 ( 0.000 -0.316 1.739) 1.768 20.037 ( 0.000 3.860 -1.190) 4.039 20.037 ( 0.000 3.860 1.190) 4.039 20.186 ( 0.000 0.973 -1.226) 1.565 20.186 ( 0.000 0.973 1.226) 1.565 24.477 ( 0.000 -0.088 -0.255) 0.270 24.477 ( 0.000 -0.088 0.255) 0.270 25.191 ( 0.000 -0.153 -0.235) 0.281 25.191 ( 0.000 -0.153 0.235) 0.281 31.493 ( 0.000 -0.743 -0.712) 1.028 31.493 ( 0.000 -0.743 0.712) 1.028 31.533 ( 0.000 -0.653 -0.071) 0.657 31.533 ( 0.000 -0.653 0.071) 0.657 41.898 ( 0.000 7.344 -5.258) 9.032 41.898 ( 0.000 7.344 5.258) 9.032 42.110 ( 0.000 -3.562 -2.202) 4.187 42.110 ( 0.000 -3.562 2.202) 4.187 42.986 ( 0.000 4.353 -10.190) 11.080 42.986 ( 0.000 4.353 10.190) 11.080 44.941 ( 0.000 -6.975 -9.623) 11.885 44.941 ( 0.000 -6.975 9.623) 11.885 ======================= Grid point 281 (87/100) ======================= q-point: ( 0.12 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 1.265 11.387 -13.795) 17.933 1.555 ( 1.265 11.387 13.795) 17.933 1.824 ( 3.735 10.857 -11.873) 16.517 1.824 ( 3.735 10.857 11.873) 16.517 2.601 ( -8.730 1.169 -6.602) 11.007 2.601 ( -8.730 1.169 6.602) 11.007 2.787 ( -3.430 2.028 -4.647) 6.122 2.787 ( -3.430 2.028 4.647) 6.122 3.102 ( -0.236 15.486 -21.560) 26.547 3.102 ( -0.236 15.486 21.560) 26.547 3.345 ( 6.701 -1.254 -9.227) 11.473 3.345 ( 6.701 -1.254 9.227) 11.473 4.201 ( 5.082 2.345 -1.949) 5.926 4.201 ( 5.082 2.345 1.949) 5.926 4.358 ( 3.197 -1.408 -1.865) 3.960 4.358 ( 3.197 -1.408 1.865) 3.960 4.568 ( 5.327 -3.733 -2.920) 7.130 4.568 ( 5.327 -3.733 2.920) 7.130 4.692 ( 6.189 -5.229 -2.142) 8.380 4.692 ( 6.189 -5.229 2.142) 8.380 4.975 ( 2.243 5.459 -1.385) 6.062 4.975 ( 2.243 5.459 1.385) 6.062 5.585 ( 0.188 5.670 -2.940) 6.390 5.585 ( 0.188 5.670 2.940) 6.390 5.685 ( -0.323 6.574 -5.672) 8.689 5.685 ( -0.323 6.574 5.672) 8.689 5.816 ( -2.972 -6.997 -5.803) 9.564 5.816 ( -2.972 -6.997 5.803) 9.564 5.972 ( -1.512 10.722 -1.141) 10.888 5.972 ( -1.512 10.722 1.141) 10.888 6.387 ( -2.923 1.387 -6.882) 7.604 6.387 ( -2.923 1.387 6.882) 7.604 6.846 ( -1.423 -2.659 -0.951) 3.162 6.846 ( -1.423 -2.659 0.951) 3.162 7.076 ( -4.616 -10.608 -11.018) 15.976 7.076 ( -4.616 -10.608 11.018) 15.976 19.921 ( -0.480 -0.990 -1.508) 1.867 19.921 ( -0.480 -0.990 1.508) 1.867 19.984 ( -0.163 -0.292 -1.529) 1.565 19.984 ( -0.163 -0.292 1.529) 1.565 20.043 ( 0.552 3.630 -1.263) 3.883 20.043 ( 0.552 3.630 1.263) 3.883 20.180 ( -0.493 1.222 -1.383) 1.910 20.180 ( -0.493 1.222 1.383) 1.910 24.515 ( 3.821 -0.220 -0.056) 3.828 24.515 ( 3.821 -0.220 0.056) 3.828 25.172 ( -1.965 -0.163 -0.239) 1.986 25.172 ( -1.965 -0.163 0.239) 1.986 31.494 ( 0.005 -0.686 -0.703) 0.982 31.494 ( 0.005 -0.686 0.703) 0.982 31.527 ( -0.540 -0.595 -0.240) 0.838 31.527 ( -0.540 -0.595 0.240) 0.838 41.948 ( 4.856 8.064 -5.116) 10.714 41.948 ( 4.856 8.064 5.116) 10.714 42.159 ( 5.099 -3.938 -2.616) 6.954 42.159 ( 5.099 -3.938 2.616) 6.954 42.953 ( -3.280 4.395 -9.576) 11.035 42.953 ( -3.280 4.395 9.576) 11.035 44.748 ( -18.770 -4.857 -6.326) 20.394 44.748 ( -18.770 -4.857 6.326) 20.394 ======================= Grid point 283 (88/100) ======================= q-point: ( 0.25 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 3.368 9.783 -11.137) 15.201 1.597 ( 3.368 9.783 11.137) 15.201 1.934 ( 7.388 10.099 -12.110) 17.413 1.934 ( 7.388 10.099 12.110) 17.413 2.382 ( -12.708 2.387 -5.187) 13.932 2.382 ( -12.708 2.387 5.187) 13.932 2.687 ( -6.933 1.085 -4.821) 8.514 2.687 ( -6.933 1.085 4.821) 8.514 3.141 ( 4.150 14.664 -19.916) 25.078 3.141 ( 4.150 14.664 19.916) 25.078 3.456 ( 3.943 1.901 -6.007) 7.433 3.456 ( 3.943 1.901 6.007) 7.433 4.327 ( 7.001 2.981 -1.701) 7.797 4.327 ( 7.001 2.981 1.701) 7.797 4.444 ( 5.132 -1.955 -2.854) 6.190 4.444 ( 5.132 -1.955 2.854) 6.190 4.669 ( 5.521 -2.444 -4.567) 7.570 4.669 ( 5.521 -2.444 4.567) 7.570 4.856 ( 8.454 -4.082 -3.809) 10.131 4.856 ( 8.454 -4.082 3.809) 10.131 5.049 ( 5.640 1.018 -3.750) 6.849 5.049 ( 5.640 1.018 3.750) 6.849 5.572 ( -2.059 2.785 -2.794) 4.450 5.572 ( -2.059 2.785 2.794) 4.450 5.687 ( 0.450 4.226 -1.561) 4.528 5.687 ( 0.450 4.226 1.561) 4.528 5.740 ( -3.933 -4.058 -5.241) 7.707 5.740 ( -3.933 -4.058 5.241) 7.707 5.940 ( -1.317 10.275 -1.523) 10.470 5.940 ( -1.317 10.275 1.523) 10.470 6.305 ( -5.305 1.739 -5.833) 8.074 6.305 ( -5.305 1.739 5.833) 8.074 6.808 ( -2.205 -3.909 -1.799) 4.835 6.808 ( -2.205 -3.909 1.799) 4.835 6.960 ( -6.639 -7.296 -7.872) 12.620 6.960 ( -6.639 -7.296 7.872) 12.620 19.908 ( -0.782 -0.721 -1.183) 1.591 19.908 ( -0.782 -0.721 1.183) 1.591 19.981 ( -0.179 -0.198 -1.047) 1.081 19.981 ( -0.179 -0.198 1.047) 1.081 20.058 ( 0.940 3.069 -1.446) 3.521 20.058 ( 0.940 3.069 1.446) 3.521 20.169 ( -0.635 1.777 -1.582) 2.463 20.169 ( -0.635 1.777 1.582) 2.463 24.618 ( 6.387 -0.436 -0.282) 6.408 24.618 ( 6.387 -0.436 0.282) 6.408 25.114 ( -3.893 -0.204 -0.225) 3.905 25.114 ( -3.893 -0.204 0.225) 3.905 31.492 ( -0.151 -0.428 -0.606) 0.757 31.492 ( -0.151 -0.428 0.606) 0.757 31.516 ( -0.437 -0.646 -0.404) 0.878 31.516 ( -0.437 -0.646 0.404) 0.878 42.073 ( 7.399 8.471 -4.401) 12.078 42.073 ( 7.399 8.471 4.401) 12.078 42.318 ( 11.186 -3.035 -3.465) 12.097 42.318 ( 11.186 -3.035 3.465) 12.097 42.866 ( -5.203 4.231 -7.487) 10.051 42.866 ( -5.203 4.231 7.487) 10.051 44.267 ( -28.664 -1.180 -1.577) 28.732 44.267 ( -28.664 -1.180 1.577) 28.732 ======================= Grid point 285 (89/100) ======================= q-point: ( 0.38 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 7.161 7.930 -6.555) 12.535 1.699 ( 7.161 7.930 6.555) 12.535 2.093 ( 2.599 10.393 -5.852) 12.208 2.093 ( 2.599 10.393 5.852) 12.208 2.139 ( -5.737 1.899 -8.740) 10.625 2.139 ( -5.737 1.899 8.740) 10.625 2.522 ( -9.663 2.330 -8.112) 12.830 2.522 ( -9.663 2.330 8.112) 12.830 3.245 ( 5.663 12.663 -13.297) 19.215 3.245 ( 5.663 12.663 13.297) 19.215 3.488 ( -0.585 5.158 -2.502) 5.763 3.488 ( -0.585 5.158 2.502) 5.763 4.445 ( 4.603 3.042 -1.043) 5.615 4.445 ( 4.603 3.042 1.043) 5.615 4.532 ( 3.169 -2.419 -3.483) 5.294 4.532 ( 3.169 -2.419 3.483) 5.294 4.800 ( 7.493 -0.874 -3.173) 8.184 4.800 ( 7.493 -0.874 3.173) 8.184 4.968 ( 2.864 1.851 -1.734) 3.826 4.968 ( 2.864 1.851 1.734) 3.826 5.186 ( 7.339 -6.719 -8.469) 13.067 5.186 ( 7.339 -6.719 8.469) 13.067 5.486 ( -6.615 -7.284 -8.574) 13.050 5.486 ( -6.615 -7.284 8.574) 13.050 5.655 ( -2.010 5.998 -2.082) 6.660 5.655 ( -2.010 5.998 2.082) 6.660 5.729 ( 0.979 3.174 -2.677) 4.266 5.729 ( 0.979 3.174 2.677) 4.266 5.946 ( 2.571 7.433 -3.542) 8.626 5.946 ( 2.571 7.433 3.542) 8.626 6.185 ( -6.760 2.125 -5.041) 8.696 6.185 ( -6.760 2.125 5.041) 8.696 6.769 ( -1.509 -5.231 -1.631) 5.683 6.769 ( -1.509 -5.231 1.631) 5.683 6.840 ( -5.038 -3.860 -4.004) 7.504 6.840 ( -5.038 -3.860 4.004) 7.504 19.894 ( -0.579 -0.545 -0.620) 1.008 19.894 ( -0.579 -0.545 0.620) 1.008 19.978 ( -0.115 -0.073 -0.513) 0.530 19.978 ( -0.115 -0.073 0.513) 0.530 20.077 ( 0.853 2.441 -1.246) 2.870 20.077 ( 0.853 2.441 1.246) 2.870 20.157 ( -0.522 2.365 -1.311) 2.754 20.157 ( -0.522 2.365 1.311) 2.754 24.755 ( 7.328 -0.502 -0.414) 7.356 24.755 ( 7.328 -0.502 0.414) 7.356 25.020 ( -5.645 -0.294 -0.221) 5.657 25.020 ( -5.645 -0.294 0.221) 5.657 31.489 ( -0.190 -0.082 -0.307) 0.370 31.489 ( -0.190 -0.082 0.307) 0.370 31.511 ( -0.121 -0.866 -0.245) 0.908 31.511 ( -0.121 -0.866 0.245) 0.908 42.219 ( 6.966 6.407 -3.492) 10.088 42.219 ( 6.966 6.407 3.492) 10.088 42.556 ( 8.682 5.342 -2.631) 10.528 42.556 ( 8.682 5.342 2.631) 10.528 42.807 ( 4.120 -0.345 -0.241) 4.142 42.807 ( 4.120 -0.345 0.241) 4.142 43.685 ( -29.504 0.535 -5.056) 29.939 43.685 ( -29.504 0.535 5.056) 29.939 ======================= Grid point 287 (90/100) ======================= q-point: (-0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -0.000 6.106 -0.000) 6.106 1.856 ( -0.000 6.106 0.000) 6.106 1.906 ( 0.000 6.375 -0.000) 6.375 1.906 ( 0.000 6.375 0.000) 6.375 2.291 ( 0.000 8.586 -0.000) 8.586 2.291 ( 0.000 8.586 0.000) 8.586 2.342 ( 0.000 1.234 -0.000) 1.234 2.342 ( -0.000 1.234 0.000) 1.234 3.318 ( 0.000 10.796 -0.000) 10.796 3.318 ( 0.000 10.796 0.000) 10.796 3.466 ( 0.000 7.566 0.000) 7.566 3.466 ( 0.000 7.566 0.000) 7.566 4.493 ( 0.000 2.845 -0.000) 2.845 4.493 ( 0.000 2.845 0.000) 2.845 4.561 ( 0.000 -2.791 0.000) 2.791 4.561 ( 0.000 -2.791 0.000) 2.791 4.901 ( -0.000 1.306 0.000) 1.306 4.901 ( 0.000 1.306 0.000) 1.306 4.983 ( 0.000 2.912 -0.000) 2.912 4.983 ( 0.000 2.912 0.000) 2.912 5.298 ( -0.000 -9.689 -0.000) 9.689 5.298 ( -0.000 -9.689 0.000) 9.689 5.370 ( 0.000 -9.946 -0.000) 9.946 5.370 ( 0.000 -9.946 0.000) 9.946 5.637 ( 0.000 7.854 -0.000) 7.854 5.637 ( 0.000 7.854 0.000) 7.854 5.736 ( 0.000 4.963 0.000) 4.963 5.736 ( 0.000 4.963 0.000) 4.963 6.024 ( -0.000 4.349 -0.000) 4.349 6.024 ( -0.000 4.349 0.000) 4.349 6.069 ( 0.000 2.732 -0.000) 2.732 6.069 ( 0.000 2.732 0.000) 2.732 6.756 ( 0.000 -6.704 -0.000) 6.704 6.756 ( 0.000 -6.704 0.000) 6.704 6.785 ( 0.000 -1.470 -0.000) 1.470 6.785 ( 0.000 -1.470 0.000) 1.470 19.888 ( 0.000 -0.494 0.000) 0.494 19.888 ( 0.000 -0.494 0.000) 0.494 19.977 ( 0.000 -0.021 -0.000) 0.021 19.977 ( 0.000 -0.021 0.000) 0.021 20.086 ( -0.000 2.091 -0.000) 2.091 20.086 ( 0.000 2.091 0.000) 2.091 20.151 ( 0.000 2.695 0.000) 2.695 20.151 ( 0.000 2.695 0.000) 2.695 24.894 ( -0.000 -0.359 -0.000) 0.359 24.894 ( -0.000 -0.359 0.000) 0.359 24.899 ( 0.000 -0.478 -0.000) 0.478 24.899 ( 0.000 -0.478 0.000) 0.478 31.487 ( 0.000 0.030 -0.000) 0.030 31.487 ( 0.000 0.030 0.000) 0.030 31.510 ( 0.000 -0.946 -0.000) 0.946 31.510 ( 0.000 -0.946 0.000) 0.946 42.304 ( 0.000 4.150 -0.000) 4.150 42.304 ( 0.000 4.150 0.000) 4.150 42.580 ( 0.000 11.439 -0.000) 11.439 42.580 ( 0.000 11.439 0.000) 11.439 43.097 ( 0.000 -6.364 -0.000) 6.364 43.097 ( 0.000 -6.364 0.000) 6.364 43.188 ( -0.000 3.827 -0.000) 3.827 43.188 ( 0.000 3.827 0.000) 3.827 ======================= Grid point 297 (91/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.000 12.494 -12.097) 17.390 1.808 ( 0.000 12.494 12.097) 17.390 1.991 ( 0.000 9.224 -8.594) 12.608 1.991 ( 0.000 9.224 8.594) 12.608 2.645 ( 0.000 -3.788 -7.426) 8.337 2.645 ( 0.000 -3.788 7.426) 8.337 2.849 ( 0.000 -0.598 -4.849) 4.886 2.849 ( 0.000 -0.598 4.849) 4.886 3.063 ( 0.000 -9.060 -8.559) 12.464 3.063 ( 0.000 -9.060 8.559) 12.464 3.641 ( 0.000 24.094 -13.950) 27.841 3.641 ( 0.000 24.094 13.950) 27.841 4.134 ( 0.000 -1.556 -0.253) 1.577 4.134 ( 0.000 -1.556 0.253) 1.577 4.337 ( 0.000 1.036 -0.045) 1.037 4.337 ( 0.000 1.036 0.045) 1.037 4.426 ( 0.000 -2.866 -0.586) 2.926 4.426 ( 0.000 -2.866 0.586) 2.926 4.575 ( 0.000 -1.900 -4.733) 5.101 4.575 ( 0.000 -1.900 4.733) 5.101 5.060 ( 0.000 3.450 -1.258) 3.672 5.060 ( 0.000 3.450 1.258) 3.672 5.614 ( 0.000 -1.981 -0.626) 2.078 5.614 ( 0.000 -1.981 0.626) 2.078 5.710 ( 0.000 -4.434 -0.794) 4.505 5.710 ( 0.000 -4.434 0.794) 4.505 5.871 ( 0.000 8.181 -4.349) 9.265 5.871 ( 0.000 8.181 4.349) 9.265 6.159 ( 0.000 4.656 -3.289) 5.701 6.159 ( 0.000 4.656 3.289) 5.701 6.421 ( 0.000 0.075 -7.410) 7.411 6.421 ( 0.000 0.075 7.410) 7.411 6.841 ( 0.000 0.257 -1.154) 1.182 6.841 ( 0.000 0.257 1.154) 1.182 6.917 ( 0.000 -7.430 -9.541) 12.093 6.917 ( 0.000 -7.430 9.541) 12.093 19.906 ( 0.000 -0.646 -1.300) 1.451 19.906 ( 0.000 -0.646 1.300) 1.451 19.974 ( 0.000 -0.512 -0.985) 1.110 19.974 ( 0.000 -0.512 0.985) 1.110 20.118 ( 0.000 3.117 -0.849) 3.230 20.118 ( 0.000 3.117 0.849) 3.230 20.210 ( 0.000 1.347 -0.426) 1.412 20.210 ( 0.000 1.347 0.426) 1.412 24.475 ( 0.000 -0.079 -0.167) 0.184 24.475 ( 0.000 -0.079 0.167) 0.184 25.188 ( 0.000 -0.131 -0.148) 0.197 25.188 ( 0.000 -0.131 0.148) 0.197 31.481 ( 0.000 -0.461 -0.654) 0.800 31.481 ( 0.000 -0.461 0.654) 0.800 31.519 ( 0.000 -0.572 -0.047) 0.574 31.519 ( 0.000 -0.572 0.047) 0.574 41.994 ( 0.000 -0.391 -1.677) 1.722 41.994 ( 0.000 -0.391 1.677) 1.722 42.106 ( 0.000 4.881 -4.627) 6.726 42.106 ( 0.000 4.881 4.627) 6.726 42.968 ( 0.000 -4.792 -12.982) 13.838 42.968 ( 0.000 -4.792 12.982) 13.838 44.884 ( 0.000 0.698 -10.809) 10.832 44.884 ( 0.000 0.698 10.809) 10.832 ======================= Grid point 299 (92/100) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -0.623 11.245 -11.048) 15.777 1.800 ( -0.623 11.245 11.048) 15.777 2.018 ( 2.641 8.415 -8.902) 12.532 2.018 ( 2.641 8.415 8.902) 12.532 2.595 ( -5.191 -1.545 -5.869) 7.986 2.595 ( -5.191 -1.545 5.869) 7.986 2.775 ( -5.840 -2.232 -1.070) 6.343 2.775 ( -5.840 -2.232 1.070) 6.343 3.143 ( 6.491 -5.776 -4.488) 9.780 3.143 ( 6.491 -5.776 4.488) 9.780 3.661 ( 1.911 22.402 -11.924) 25.450 3.661 ( 1.911 22.402 11.924) 25.450 4.189 ( 5.467 -1.493 -1.680) 5.911 4.189 ( 5.467 -1.493 1.680) 5.911 4.370 ( 3.267 1.326 -1.733) 3.929 4.370 ( 3.267 1.326 1.733) 3.929 4.494 ( 5.942 -3.843 -0.648) 7.106 4.494 ( 5.942 -3.843 0.648) 7.106 4.610 ( 3.864 -2.494 -3.889) 6.022 4.610 ( 3.864 -2.494 3.889) 6.022 5.068 ( 0.855 3.015 -1.418) 3.439 5.068 ( 0.855 3.015 1.418) 3.439 5.596 ( -2.662 -3.887 -2.462) 5.316 5.596 ( -2.662 -3.887 2.462) 5.316 5.693 ( -0.736 -2.273 -1.626) 2.890 5.693 ( -0.736 -2.273 1.626) 2.890 5.863 ( -0.787 7.808 -4.248) 8.923 5.863 ( -0.787 7.808 4.248) 8.923 6.145 ( -1.339 4.931 -3.026) 5.939 6.145 ( -1.339 4.931 3.026) 5.939 6.394 ( -2.698 -0.005 -6.414) 6.958 6.394 ( -2.698 -0.005 6.414) 6.958 6.810 ( -2.960 -0.910 -1.922) 3.645 6.810 ( -2.960 -0.910 1.922) 3.645 6.902 ( -1.577 -5.601 -6.776) 8.932 6.902 ( -1.577 -5.601 6.776) 8.932 19.904 ( -0.152 -0.491 -1.294) 1.393 19.904 ( -0.152 -0.491 1.294) 1.393 19.971 ( -0.308 -0.639 -0.999) 1.225 19.971 ( -0.308 -0.639 0.999) 1.225 20.122 ( 0.376 3.177 -0.834) 3.306 20.122 ( 0.376 3.177 0.834) 3.306 20.208 ( -0.198 1.384 -0.563) 1.507 20.208 ( -0.198 1.384 0.563) 1.507 24.511 ( 3.637 -0.147 -0.093) 3.641 24.511 ( 3.637 -0.147 0.093) 3.641 25.169 ( -1.982 -0.135 -0.154) 1.992 25.169 ( -1.982 -0.135 0.154) 1.992 31.482 ( 0.102 -0.432 -0.655) 0.791 31.482 ( 0.102 -0.432 0.655) 0.791 31.515 ( -0.409 -0.488 -0.178) 0.662 31.515 ( -0.409 -0.488 0.178) 0.662 42.055 ( 5.685 -1.007 -1.238) 5.905 42.055 ( 5.685 -1.007 1.238) 5.905 42.149 ( 4.908 5.733 -4.353) 8.712 42.149 ( 4.908 5.733 4.353) 8.712 42.936 ( -3.149 -4.706 -12.442) 13.670 42.936 ( -3.149 -4.706 12.442) 13.670 44.727 ( -15.558 1.946 -9.189) 18.174 44.727 ( -15.558 1.946 9.189) 18.174 ======================= Grid point 301 (93/100) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 1.128 8.772 -8.528) 12.286 1.800 ( 1.128 8.772 8.528) 12.286 2.092 ( 4.815 5.948 -9.705) 12.359 2.092 ( 4.815 5.948 9.705) 12.359 2.447 ( -9.489 3.313 -3.502) 10.643 2.447 ( -9.489 3.313 3.502) 10.643 2.651 ( -6.675 -3.514 -6.074) 9.685 2.651 ( -6.675 -3.514 6.074) 9.685 3.289 ( 8.205 -0.427 -1.119) 8.292 3.289 ( 8.205 -0.427 1.119) 8.292 3.699 ( 1.358 18.450 -7.760) 20.061 3.699 ( 1.358 18.450 7.760) 20.061 4.330 ( 8.104 -0.723 -2.431) 8.492 4.330 ( 8.104 -0.723 2.431) 8.492 4.456 ( 5.044 1.325 -3.386) 6.218 4.456 ( 5.044 1.325 3.386) 6.218 4.609 ( 5.635 -3.969 -2.801) 7.440 4.609 ( 5.635 -3.969 2.801) 7.440 4.742 ( 8.951 -4.906 -5.189) 11.450 4.742 ( 8.951 -4.906 5.189) 11.450 5.091 ( 1.420 1.453 -1.831) 2.735 5.091 ( 1.420 1.453 1.831) 2.735 5.489 ( -7.911 -6.037 -5.023) 11.147 5.489 ( -7.911 -6.037 5.023) 11.147 5.708 ( 2.001 -0.106 -3.230) 3.801 5.708 ( 2.001 -0.106 3.230) 3.801 5.842 ( -1.304 7.385 -4.012) 8.505 5.842 ( -1.304 7.385 4.012) 8.505 6.112 ( -1.813 5.400 -2.246) 6.123 6.112 ( -1.813 5.400 2.246) 6.123 6.321 ( -4.629 0.156 -4.528) 6.477 6.321 ( -4.629 0.156 4.528) 6.477 6.739 ( -3.779 -1.939 -3.888) 5.758 6.739 ( -3.779 -1.939 3.888) 5.758 6.856 ( -3.047 -3.100 -3.645) 5.673 6.856 ( -3.047 -3.100 3.645) 5.673 19.899 ( -0.357 -0.070 -1.102) 1.160 19.899 ( -0.357 -0.070 1.102) 1.160 19.964 ( -0.275 -0.934 -0.905) 1.329 19.964 ( -0.275 -0.934 0.905) 1.329 20.132 ( 0.523 3.223 -0.769) 3.354 20.132 ( 0.523 3.223 0.769) 3.354 20.204 ( -0.218 1.476 -0.764) 1.677 20.204 ( -0.218 1.476 0.764) 1.677 24.610 ( 6.243 -0.268 -0.045) 6.249 24.610 ( 6.243 -0.268 0.045) 6.249 25.110 ( -3.947 -0.157 -0.149) 3.953 25.110 ( -3.947 -0.157 0.149) 3.953 31.484 ( 0.128 -0.330 -0.654) 0.743 31.484 ( 0.128 -0.330 0.654) 0.743 31.506 ( -0.484 -0.357 -0.389) 0.716 31.506 ( -0.484 -0.357 0.389) 0.716 42.173 ( 5.911 -0.269 -3.214) 6.734 42.173 ( 5.911 -0.269 3.214) 6.734 42.336 ( 14.313 5.716 -2.558) 15.623 42.336 ( 14.313 5.716 2.558) 15.623 42.850 ( -5.402 -4.525 -10.782) 12.881 42.850 ( -5.402 -4.525 10.782) 12.881 44.311 ( -25.734 4.377 -5.628) 26.703 44.311 ( -25.734 4.377 5.628) 26.703 ======================= Grid point 303 (94/100) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 5.373 6.875 -5.034) 10.074 1.861 ( 5.373 6.875 5.034) 10.074 2.177 ( -0.754 1.895 -9.184) 9.407 2.177 ( -0.754 1.895 9.184) 9.407 2.268 ( -3.773 6.730 -2.263) 8.040 2.268 ( -3.773 6.730 2.263) 8.040 2.513 ( -7.356 -2.368 -8.911) 11.795 2.513 ( -7.356 -2.368 8.911) 11.795 3.453 ( 8.072 5.449 -1.813) 9.906 3.453 ( 8.072 5.449 1.813) 9.906 3.697 ( -1.779 13.698 -4.474) 14.520 3.697 ( -1.779 13.698 4.474) 14.520 4.464 ( 5.052 -0.136 -2.597) 5.682 4.464 ( 5.052 -0.136 2.597) 5.682 4.536 ( 2.278 1.966 -2.752) 4.078 4.536 ( 2.278 1.966 2.752) 4.078 4.756 ( 9.822 -3.943 -1.468) 10.685 4.756 ( 9.822 -3.943 1.468) 10.685 4.904 ( 6.406 -5.401 -5.785) 10.182 4.904 ( 6.406 -5.401 5.785) 10.182 5.120 ( 1.327 -1.449 -3.630) 4.128 5.120 ( 1.327 -1.449 3.630) 4.128 5.305 ( -10.218 -7.537 -6.773) 14.391 5.305 ( -10.218 -7.537 6.773) 14.391 5.758 ( 2.785 1.234 -3.502) 4.641 5.758 ( 2.785 1.234 3.502) 4.641 5.819 ( -0.889 6.727 -3.961) 7.857 5.819 ( -0.889 6.727 3.961) 7.857 6.087 ( -0.302 5.095 -1.214) 5.247 6.087 ( -0.302 5.095 1.214) 5.247 6.218 ( -5.559 1.037 -3.230) 6.513 6.218 ( -5.559 1.037 3.230) 6.513 6.677 ( -2.286 -2.214 -2.762) 4.214 6.677 ( -2.286 -2.214 2.762) 4.214 6.794 ( -2.769 -1.468 -1.812) 3.621 6.794 ( -2.769 -1.468 1.812) 3.621 19.892 ( -0.330 0.347 -0.612) 0.777 19.892 ( -0.330 0.347 0.612) 0.777 19.961 ( -0.110 -1.164 -0.536) 1.286 19.961 ( -0.110 -1.164 0.536) 1.286 20.141 ( 0.396 3.113 -0.535) 3.183 20.141 ( 0.396 3.113 0.535) 3.183 20.200 ( -0.139 1.614 -0.628) 1.737 20.200 ( -0.139 1.614 0.628) 1.737 24.746 ( 7.340 -0.319 -0.117) 7.347 24.746 ( 7.340 -0.319 0.117) 7.347 25.015 ( -5.745 -0.209 -0.117) 5.750 25.015 ( -5.745 -0.209 0.117) 5.750 31.486 ( 0.097 -0.136 -0.571) 0.595 31.486 ( 0.097 -0.136 0.571) 0.595 31.498 ( -0.296 -0.369 -0.469) 0.666 31.498 ( -0.296 -0.369 0.469) 0.666 42.289 ( 5.632 0.821 -4.132) 7.033 42.289 ( 5.632 0.821 4.132) 7.033 42.668 ( 12.535 2.884 -5.072) 13.826 42.668 ( 12.535 2.884 5.072) 13.826 42.760 ( 3.331 -1.505 -4.992) 6.187 42.760 ( 3.331 -1.505 4.992) 6.187 43.765 ( -28.853 5.863 -2.355) 29.536 43.765 ( -28.853 5.863 2.355) 29.536 ======================= Grid point 305 (95/100) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.000 5.982 -0.000) 5.982 1.989 ( -0.000 5.982 0.000) 5.982 2.035 ( 0.000 5.282 -0.000) 5.282 2.035 ( 0.000 5.282 0.000) 5.282 2.346 ( 0.000 0.006 0.000) 0.006 2.346 ( 0.000 0.006 0.000) 0.006 2.385 ( -0.000 1.257 -0.000) 1.257 2.385 ( 0.000 1.257 -0.000) 1.257 3.563 ( -0.000 11.164 -0.000) 11.164 3.563 ( 0.000 11.164 0.000) 11.164 3.651 ( 0.000 8.441 0.000) 8.441 3.651 ( -0.000 8.441 0.000) 8.441 4.521 ( -0.000 -0.887 -0.000) 0.887 4.521 ( 0.000 -0.887 0.000) 0.887 4.548 ( 0.000 2.537 -0.000) 2.537 4.548 ( 0.000 2.537 0.000) 2.537 4.916 ( -0.000 -0.036 -0.000) 0.036 4.916 ( -0.000 -0.036 0.000) 0.036 4.958 ( 0.000 -4.260 -0.000) 4.260 4.958 ( 0.000 -4.260 0.000) 4.260 5.135 ( 0.000 -10.936 -0.000) 10.936 5.135 ( -0.000 -10.936 0.000) 10.936 5.158 ( 0.000 -4.367 -0.000) 4.367 5.158 ( 0.000 -4.367 0.000) 4.367 5.796 ( -0.000 6.261 -0.000) 6.261 5.796 ( 0.000 6.261 -0.000) 6.261 5.807 ( 0.000 2.425 0.000) 2.425 5.807 ( 0.000 2.425 0.000) 2.425 6.108 ( 0.000 3.306 -0.000) 3.306 6.108 ( 0.000 3.306 0.000) 3.306 6.133 ( 0.000 2.680 -0.000) 2.680 6.133 ( 0.000 2.680 0.000) 2.680 6.655 ( 0.000 -2.254 -0.000) 2.254 6.655 ( 0.000 -2.254 0.000) 2.254 6.764 ( 0.000 -0.861 -0.000) 0.861 6.764 ( 0.000 -0.861 0.000) 0.861 19.888 ( 0.000 0.505 0.000) 0.505 19.888 ( 0.000 0.505 0.000) 0.505 19.960 ( 0.000 -1.231 -0.000) 1.231 19.960 ( 0.000 -1.231 0.000) 1.231 20.145 ( -0.000 3.012 -0.000) 3.012 20.145 ( 0.000 3.012 -0.000) 3.012 20.199 ( 0.000 1.698 0.000) 1.698 20.199 ( 0.000 1.698 0.000) 1.698 24.887 ( -0.000 -0.227 0.000) 0.227 24.887 ( -0.000 -0.227 -0.000) 0.227 24.890 ( 0.000 -0.334 0.000) 0.334 24.890 ( 0.000 -0.334 -0.000) 0.334 31.487 ( -0.000 0.039 -0.000) 0.039 31.487 ( 0.000 0.039 0.000) 0.039 31.495 ( 0.000 -0.483 0.000) 0.483 31.495 ( 0.000 -0.483 0.000) 0.483 42.358 ( 0.000 1.614 0.000) 1.614 42.358 ( 0.000 1.614 0.000) 1.614 42.653 ( 0.000 -4.942 -0.000) 4.942 42.653 ( 0.000 -4.942 0.000) 4.942 43.109 ( -0.000 7.712 0.000) 7.712 43.109 ( 0.000 7.712 0.000) 7.712 43.287 ( 0.000 4.678 -0.000) 4.678 43.287 ( 0.000 4.678 0.000) 4.678 ======================= Grid point 315 (96/100) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.000 7.989 -7.394) 10.886 2.034 ( 0.000 7.989 7.394) 10.886 2.144 ( 0.000 3.560 -5.390) 6.460 2.144 ( 0.000 3.560 5.390) 6.460 2.569 ( 0.000 -2.271 -2.411) 3.312 2.569 ( 0.000 -2.271 2.411) 3.312 2.812 ( 0.000 -2.596 -2.454) 3.572 2.812 ( 0.000 -2.596 2.454) 3.572 2.906 ( 0.000 -4.311 -3.254) 5.401 2.906 ( 0.000 -4.311 3.254) 5.401 3.987 ( 0.000 5.371 -3.227) 6.266 3.987 ( 0.000 5.371 3.227) 6.266 4.185 ( 0.000 9.134 -3.826) 9.903 4.185 ( 0.000 9.134 3.826) 9.903 4.354 ( 0.000 -3.792 -3.186) 4.953 4.354 ( 0.000 -3.792 3.186) 4.953 4.365 ( 0.000 0.250 -0.826) 0.863 4.365 ( 0.000 0.250 0.826) 0.863 4.529 ( 0.000 -2.408 -2.403) 3.402 4.529 ( 0.000 -2.408 2.403) 3.402 5.101 ( 0.000 0.823 -0.415) 0.922 5.101 ( 0.000 0.823 0.415) 0.922 5.552 ( 0.000 -2.224 -1.174) 2.515 5.552 ( 0.000 -2.224 1.174) 2.515 5.654 ( 0.000 -1.455 -1.186) 1.877 5.654 ( 0.000 -1.455 1.186) 1.877 5.995 ( 0.000 3.130 -1.472) 3.459 5.995 ( 0.000 3.130 1.472) 3.459 6.202 ( 0.000 0.479 -1.600) 1.670 6.202 ( 0.000 0.479 1.600) 1.670 6.437 ( 0.000 0.923 -3.220) 3.349 6.437 ( 0.000 0.923 3.220) 3.349 6.807 ( 0.000 -2.634 -2.755) 3.812 6.807 ( 0.000 -2.634 2.755) 3.812 6.859 ( 0.000 0.550 -1.305) 1.416 6.859 ( 0.000 0.550 1.305) 1.416 19.898 ( 0.000 -0.124 -0.455) 0.472 19.898 ( 0.000 -0.124 0.455) 0.472 19.967 ( 0.000 -0.170 -0.300) 0.345 19.967 ( 0.000 -0.170 0.300) 0.345 20.159 ( 0.000 0.856 -0.385) 0.939 20.159 ( 0.000 0.856 0.385) 0.939 20.236 ( 0.000 0.800 -0.061) 0.803 20.236 ( 0.000 0.800 0.061) 0.803 24.474 ( 0.000 -0.032 -0.058) 0.066 24.474 ( 0.000 -0.032 0.058) 0.066 25.186 ( 0.000 -0.051 -0.050) 0.072 25.186 ( 0.000 -0.051 0.050) 0.072 31.474 ( 0.000 -0.140 -0.268) 0.302 31.474 ( 0.000 -0.140 0.268) 0.302 31.511 ( 0.000 -0.228 -0.016) 0.228 31.511 ( 0.000 -0.228 0.016) 0.228 41.968 ( 0.000 -0.885 -0.478) 1.006 41.968 ( 0.000 -0.885 0.478) 1.006 42.208 ( 0.000 3.173 -2.467) 4.020 42.208 ( 0.000 3.173 2.467) 4.020 42.862 ( 0.000 -3.569 -5.988) 6.971 42.862 ( 0.000 -3.569 5.988) 6.971 44.917 ( 0.000 1.320 -4.402) 4.595 44.917 ( 0.000 1.320 4.402) 4.595 ======================= Grid point 317 (97/100) ======================= q-point: ( 0.12 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -3.437 6.257 -5.802) 9.199 1.994 ( -3.437 6.257 5.802) 9.199 2.152 ( 0.933 3.191 -4.941) 5.955 2.152 ( 0.933 3.191 4.941) 5.955 2.551 ( -1.861 -1.697 -2.309) 3.416 2.551 ( -1.861 -1.697 2.309) 3.416 2.745 ( -5.638 -0.172 -0.820) 5.700 2.745 ( -5.638 -0.172 0.820) 5.700 3.015 ( 9.347 -4.859 -2.494) 10.826 3.015 ( 9.347 -4.859 2.494) 10.826 4.020 ( 2.636 8.117 -4.041) 9.442 4.020 ( 2.636 8.117 4.041) 9.442 4.211 ( 3.151 5.952 -2.346) 7.131 4.211 ( 3.151 5.952 2.346) 7.131 4.370 ( 2.026 -3.872 -3.758) 5.764 4.370 ( 2.026 -3.872 3.758) 5.764 4.438 ( 6.467 0.582 -1.108) 6.587 4.438 ( 6.467 0.582 1.108) 6.587 4.550 ( 2.289 -3.347 -2.815) 4.937 4.550 ( 2.289 -3.347 2.815) 4.937 5.105 ( 0.271 0.755 -0.591) 0.997 5.105 ( 0.271 0.755 0.591) 0.997 5.516 ( -3.871 -2.390 -1.555) 4.808 5.516 ( -3.871 -2.390 1.555) 4.808 5.662 ( 1.047 -1.000 -1.370) 1.994 5.662 ( 1.047 -1.000 1.370) 1.994 5.984 ( -1.060 3.096 -1.406) 3.562 5.984 ( -1.060 3.096 1.406) 3.562 6.194 ( -0.822 0.615 -1.577) 1.881 6.194 ( -0.822 0.615 1.577) 1.881 6.405 ( -3.096 0.704 -2.686) 4.159 6.405 ( -3.096 0.704 2.686) 4.159 6.783 ( -2.199 -1.361 -3.502) 4.353 6.783 ( -2.199 -1.361 3.502) 4.353 6.848 ( -1.225 -0.345 -1.487) 1.957 6.848 ( -1.225 -0.345 1.487) 1.957 19.899 ( 0.116 -0.051 -0.480) 0.496 19.899 ( 0.116 -0.051 0.480) 0.496 19.961 ( -0.540 -0.239 -0.326) 0.675 19.961 ( -0.540 -0.239 0.326) 0.675 20.165 ( 0.569 0.935 -0.392) 1.162 20.165 ( 0.569 0.935 0.392) 1.162 20.233 ( -0.256 0.764 -0.129) 0.816 20.233 ( -0.256 0.764 0.129) 0.816 24.509 ( 3.558 -0.051 -0.040) 3.559 24.509 ( 3.558 -0.051 0.040) 3.559 25.167 ( -1.988 -0.052 -0.053) 1.989 25.167 ( -1.988 -0.052 0.053) 1.989 31.476 ( 0.147 -0.128 -0.269) 0.332 31.476 ( 0.147 -0.128 0.269) 0.332 31.508 ( -0.288 -0.192 -0.064) 0.352 31.508 ( -0.288 -0.192 0.064) 0.352 42.022 ( 5.203 -0.998 -0.660) 5.339 42.022 ( 5.203 -0.998 0.660) 5.339 42.262 ( 5.804 3.421 -2.412) 7.156 42.262 ( 5.804 3.421 2.412) 7.156 42.832 ( -3.057 -3.567 -5.845) 7.499 42.832 ( -3.057 -3.567 5.845) 7.499 44.776 ( -14.035 1.692 -3.919) 14.670 44.776 ( -14.035 1.692 3.919) 14.670 ======================= Grid point 319 (98/100) ======================= q-point: ( 0.25 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -1.381 3.821 -3.747) 5.527 1.937 ( -1.381 3.821 3.747) 5.527 2.181 ( 1.891 2.136 -4.424) 5.264 2.181 ( 1.891 2.136 4.424) 5.264 2.495 ( -3.921 0.600 -2.728) 4.814 2.495 ( -3.921 0.600 2.728) 4.814 2.600 ( -8.669 -0.327 -3.546) 9.372 2.600 ( -8.669 -0.327 3.546) 9.372 3.240 ( 13.020 -2.486 -1.816) 13.379 3.240 ( 13.020 -2.486 1.816) 13.379 4.035 ( -2.044 10.789 -4.693) 11.942 4.035 ( -2.044 10.789 4.693) 11.942 4.336 ( 9.120 1.630 -2.281) 9.541 4.336 ( 9.120 1.630 2.281) 9.541 4.434 ( 4.878 -4.438 -4.530) 8.001 4.434 ( 4.878 -4.438 4.530) 8.001 4.554 ( 3.844 0.728 -2.611) 4.704 4.554 ( 3.844 0.728 2.611) 4.704 4.654 ( 8.881 -3.672 -3.826) 10.343 4.654 ( 8.881 -3.672 3.826) 10.343 5.105 ( -0.501 0.155 -0.885) 1.029 5.105 ( -0.501 0.155 0.885) 1.029 5.397 ( -8.230 -2.349 -1.718) 8.730 5.397 ( -8.230 -2.349 1.718) 8.730 5.700 ( 2.918 -0.370 -1.223) 3.185 5.700 ( 2.918 -0.370 1.223) 3.185 5.957 ( -1.597 3.006 -1.275) 3.635 5.957 ( -1.597 3.006 1.275) 3.635 6.172 ( -1.266 0.980 -1.405) 2.130 6.172 ( -1.266 0.980 1.405) 2.130 6.325 ( -4.795 0.217 -1.706) 5.094 6.325 ( -4.795 0.217 1.706) 5.094 6.731 ( -2.807 0.557 -3.618) 4.613 6.731 ( -2.807 0.557 3.618) 4.613 6.810 ( -2.575 -1.383 -1.421) 3.250 6.810 ( -2.575 -1.383 1.421) 3.250 19.902 ( 0.158 0.219 -0.500) 0.568 19.902 ( 0.158 0.219 0.500) 0.568 19.949 ( -0.684 -0.483 -0.377) 0.918 19.949 ( -0.684 -0.483 0.377) 0.918 20.178 ( 0.747 1.147 -0.405) 1.427 20.178 ( 0.747 1.147 0.405) 1.427 20.227 ( -0.347 0.624 -0.266) 0.761 20.227 ( -0.347 0.624 0.266) 0.761 24.607 ( 6.175 -0.086 -0.008) 6.176 24.607 ( 6.175 -0.086 0.008) 6.176 25.108 ( -3.971 -0.057 -0.054) 3.972 25.108 ( -3.971 -0.057 0.054) 3.972 31.480 ( 0.219 -0.097 -0.272) 0.362 31.480 ( 0.219 -0.097 0.272) 0.362 31.501 ( -0.382 -0.120 -0.146) 0.426 31.501 ( -0.382 -0.120 0.146) 0.426 42.149 ( 7.147 -0.874 -1.406) 7.337 42.149 ( 7.147 -0.874 1.406) 7.337 42.453 ( 13.974 3.831 -2.248) 14.663 42.453 ( 13.974 3.831 2.248) 14.663 42.747 ( -5.412 -3.729 -5.642) 8.662 42.747 ( -5.412 -3.729 5.642) 8.662 44.393 ( -24.156 2.450 -2.792) 24.440 44.393 ( -24.156 2.450 2.792) 24.440 ======================= Grid point 321 (99/100) ======================= q-point: ( 0.38 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 4.238 2.595 -2.152) 5.415 1.964 ( 4.238 2.595 2.152) 5.415 2.207 ( -0.777 0.780 -3.715) 3.875 2.207 ( -0.777 0.780 3.715) 3.875 2.385 ( -6.017 4.243 -3.510) 8.157 2.385 ( -6.017 4.243 3.510) 8.157 2.456 ( -5.211 -2.681 -5.879) 8.301 2.456 ( -5.211 -2.681 5.879) 8.301 3.504 ( 13.487 0.535 -1.156) 13.547 3.504 ( 13.487 0.535 1.156) 13.547 3.940 ( -7.413 7.245 -2.665) 10.703 3.940 ( -7.413 7.245 2.665) 10.703 4.479 ( 4.736 1.371 -2.035) 5.334 4.479 ( 4.736 1.371 2.035) 5.334 4.563 ( 3.692 -0.048 -2.031) 4.214 4.563 ( 3.692 -0.048 2.031) 4.214 4.654 ( 10.660 -3.804 -1.213) 11.383 4.654 ( 10.660 -3.804 1.213) 11.383 4.832 ( 7.858 -1.386 -2.581) 8.387 4.832 ( 7.858 -1.386 2.581) 8.387 5.080 ( -2.036 -1.675 -1.592) 3.080 5.080 ( -2.036 -1.675 1.592) 3.080 5.201 ( -11.434 -2.474 -2.290) 11.920 5.201 ( -11.434 -2.474 2.290) 11.920 5.775 ( 4.562 0.480 -1.072) 4.710 5.775 ( 4.562 0.480 1.072) 4.710 5.923 ( -1.971 2.675 -1.334) 3.581 5.923 ( -1.971 2.675 1.334) 3.581 6.150 ( -0.744 1.222 -0.894) 1.687 6.150 ( -0.744 1.222 0.894) 1.687 6.228 ( -4.772 0.018 -1.113) 4.900 6.228 ( -4.772 0.018 1.113) 4.900 6.685 ( -1.734 2.082 -2.421) 3.633 6.685 ( -1.734 2.082 2.421) 3.633 6.757 ( -2.405 -2.106 -1.055) 3.366 6.757 ( -2.405 -2.106 1.055) 3.366 19.905 ( 0.112 0.746 -0.390) 0.849 19.905 ( 0.112 0.746 0.390) 0.849 19.937 ( -0.447 -0.964 -0.330) 1.112 19.937 ( -0.447 -0.964 0.330) 1.112 20.192 ( 0.549 1.489 -0.361) 1.627 20.192 ( 0.549 1.489 0.361) 1.627 20.220 ( -0.279 0.319 -0.319) 0.531 20.220 ( -0.279 0.319 0.319) 0.531 24.742 ( 7.338 -0.102 -0.018) 7.339 24.742 ( 7.338 -0.102 0.018) 7.339 25.012 ( -5.790 -0.072 -0.042) 5.791 25.012 ( -5.790 -0.072 0.042) 5.791 31.484 ( 0.222 -0.058 -0.271) 0.355 31.484 ( 0.222 -0.058 0.271) 0.355 31.494 ( -0.312 -0.072 -0.217) 0.387 31.494 ( -0.312 -0.072 0.217) 0.387 42.292 ( 7.351 -0.009 -2.231) 7.682 42.292 ( 7.351 -0.009 2.231) 7.682 42.614 ( -6.390 -3.022 -3.047) 7.698 42.614 ( -6.390 -3.022 3.047) 7.698 42.820 ( 21.652 2.777 -1.032) 21.854 42.820 ( 21.652 2.777 1.032) 21.854 43.868 ( -28.477 2.931 -1.649) 28.675 43.868 ( -28.477 2.931 1.649) 28.675 ======================= Grid point 323 (100/100) ======================= q-point: (-0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -0.000 2.891 -0.000) 2.891 2.084 ( -0.000 2.891 0.000) 2.891 2.104 ( 0.000 1.116 0.000) 1.116 2.104 ( 0.000 1.116 0.000) 1.116 2.360 ( 0.000 1.261 0.000) 1.261 2.360 ( 0.000 1.261 0.000) 1.261 2.384 ( -0.000 -0.782 -0.000) 0.782 2.384 ( 0.000 -0.782 0.000) 0.782 3.738 ( -0.000 4.980 -0.000) 4.980 3.738 ( 0.000 4.980 0.000) 4.980 3.767 ( -0.000 2.176 0.000) 2.176 3.767 ( 0.000 2.176 0.000) 2.176 4.534 ( 0.000 2.163 -0.000) 2.163 4.534 ( 0.000 2.163 0.000) 2.163 4.579 ( 0.000 -0.609 0.000) 0.609 4.579 ( 0.000 -0.609 0.000) 0.609 4.888 ( -0.000 -1.639 -0.000) 1.639 4.888 ( -0.000 -1.638 0.000) 1.638 4.894 ( 0.000 -1.900 -0.000) 1.900 4.894 ( 0.000 -1.900 0.000) 1.900 4.996 ( 0.000 -0.733 -0.000) 0.733 4.996 ( 0.000 -0.733 0.000) 0.733 5.059 ( 0.000 -5.033 -0.000) 5.033 5.059 ( 0.000 -5.033 0.000) 5.033 5.857 ( -0.000 2.185 -0.000) 2.185 5.857 ( 0.000 2.185 0.000) 2.185 5.874 ( -0.000 1.136 0.000) 1.136 5.874 ( 0.000 1.136 0.000) 1.136 6.153 ( -0.000 1.138 -0.000) 1.138 6.153 ( 0.000 1.138 0.000) 1.138 6.162 ( -0.000 0.266 0.000) 0.266 6.162 ( 0.000 0.266 0.000) 0.266 6.668 ( 0.000 2.806 -0.000) 2.806 6.668 ( -0.000 2.806 0.000) 2.806 6.731 ( 0.000 -2.536 -0.000) 2.536 6.731 ( 0.000 -2.536 0.000) 2.536 19.906 ( 0.000 1.129 0.000) 1.129 19.906 ( 0.000 1.129 0.000) 1.129 19.932 ( 0.000 -1.322 -0.000) 1.322 19.932 ( 0.000 -1.322 0.000) 1.322 20.198 ( 0.000 1.819 -0.000) 1.819 20.198 ( 0.000 1.819 -0.000) 1.819 20.217 ( 0.000 -0.004 0.000) 0.004 20.217 ( 0.000 -0.004 0.000) 0.004 24.884 ( -0.000 -0.046 0.000) 0.046 24.884 ( -0.000 -0.046 -0.000) 0.046 24.885 ( 0.000 -0.139 0.000) 0.139 24.885 ( 0.000 -0.139 -0.000) 0.139 31.488 ( 0.000 0.017 -0.000) 0.017 31.488 ( -0.000 0.017 0.000) 0.017 31.489 ( -0.000 -0.116 -0.000) 0.116 31.489 ( 0.000 -0.116 0.000) 0.116 42.403 ( -0.000 3.344 0.000) 3.344 42.403 ( 0.000 3.344 0.000) 3.344 42.509 ( -0.000 -6.745 -0.000) 6.745 42.509 ( 0.000 -6.745 0.000) 6.745 43.278 ( -0.000 6.375 0.000) 6.375 43.278 ( 0.000 6.375 0.000) 6.375 43.344 ( -0.000 0.081 -0.000) 0.081 43.344 ( 0.000 0.081 0.000) 0.081 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 590.957 713.796 696.788 0.000 0.000 -0.000 3/25920 20.0 175.177 255.004 226.739 0.000 0.000 -0.000 3/25920 30.0 74.819 101.555 89.724 0.000 0.000 -0.000 3/25920 40.0 38.259 47.631 42.543 0.000 0.000 -0.000 3/25920 50.0 23.328 27.680 24.764 0.000 0.000 -0.000 3/25920 60.0 16.208 18.755 16.732 0.000 0.000 -0.000 3/25920 70.0 12.300 14.039 12.474 0.000 0.000 -0.000 3/25920 80.0 9.903 11.216 9.924 0.000 0.000 -0.000 3/25920 90.0 8.303 9.361 8.252 0.000 0.000 -0.000 3/25920 100.0 7.164 8.055 7.078 0.000 0.000 -0.000 3/25920 110.0 6.314 7.085 6.209 0.000 0.000 -0.000 3/25920 120.0 5.653 6.337 5.541 0.000 0.000 -0.000 3/25920 130.0 5.125 5.740 5.010 0.000 0.000 -0.000 3/25920 140.0 4.692 5.253 4.577 0.000 0.000 -0.000 3/25920 150.0 4.330 4.846 4.218 0.000 0.000 -0.000 3/25920 160.0 4.023 4.502 3.914 0.000 0.000 -0.000 3/25920 170.0 3.760 4.206 3.653 0.000 0.000 -0.000 3/25920 180.0 3.531 3.948 3.426 0.000 0.000 -0.000 3/25920 190.0 3.330 3.722 3.228 0.000 0.000 -0.000 3/25920 200.0 3.153 3.523 3.053 0.000 0.000 -0.000 3/25920 210.0 2.996 3.344 2.897 0.000 0.000 -0.000 3/25920 220.0 2.855 3.185 2.757 0.000 0.000 -0.000 3/25920 230.0 2.729 3.040 2.631 0.000 0.000 -0.000 3/25920 240.0 2.615 2.910 2.517 0.000 0.000 -0.000 3/25920 250.0 2.513 2.791 2.413 0.000 0.000 -0.000 3/25920 260.0 2.420 2.682 2.318 0.000 0.000 -0.000 3/25920 270.0 2.335 2.583 2.230 0.000 0.000 -0.000 3/25920 280.0 2.258 2.491 2.150 0.000 0.000 -0.000 3/25920 290.0 2.188 2.407 2.076 0.000 0.000 -0.000 3/25920 300.0 2.123 2.329 2.008 0.000 0.000 -0.000 3/25920 310.0 2.064 2.256 1.944 0.000 0.000 -0.000 3/25920 320.0 2.010 2.189 1.885 0.000 0.000 -0.000 3/25920 330.0 1.960 2.126 1.830 0.000 0.000 -0.000 3/25920 340.0 1.914 2.067 1.778 0.000 0.000 -0.000 3/25920 350.0 1.871 2.012 1.730 0.000 0.000 -0.000 3/25920 360.0 1.832 1.961 1.684 0.000 0.000 -0.000 3/25920 370.0 1.795 1.913 1.642 0.000 0.000 -0.000 3/25920 380.0 1.761 1.867 1.602 0.000 0.000 -0.000 3/25920 390.0 1.729 1.824 1.564 0.000 0.000 -0.000 3/25920 400.0 1.699 1.784 1.528 0.000 0.000 -0.000 3/25920 410.0 1.671 1.746 1.494 0.000 0.000 -0.000 3/25920 420.0 1.645 1.709 1.461 0.000 0.000 -0.000 3/25920 430.0 1.620 1.675 1.431 0.000 0.000 -0.000 3/25920 440.0 1.596 1.642 1.402 0.000 0.000 -0.000 3/25920 450.0 1.574 1.611 1.374 0.000 0.000 -0.000 3/25920 460.0 1.553 1.581 1.347 0.000 0.000 -0.000 3/25920 470.0 1.533 1.552 1.322 0.000 0.000 -0.000 3/25920 480.0 1.514 1.525 1.298 0.000 0.000 -0.000 3/25920 490.0 1.495 1.499 1.274 0.000 0.000 -0.000 3/25920 500.0 1.478 1.474 1.252 0.000 0.000 -0.000 3/25920 510.0 1.461 1.450 1.231 0.000 0.000 -0.000 3/25920 520.0 1.445 1.427 1.210 0.000 0.000 -0.000 3/25920 530.0 1.429 1.405 1.191 0.000 0.000 -0.000 3/25920 540.0 1.414 1.383 1.171 0.000 0.000 -0.000 3/25920 550.0 1.400 1.363 1.153 0.000 0.000 -0.000 3/25920 560.0 1.386 1.343 1.135 0.000 0.000 -0.000 3/25920 570.0 1.372 1.323 1.118 0.000 0.000 -0.000 3/25920 580.0 1.359 1.305 1.102 0.000 0.000 -0.000 3/25920 590.0 1.346 1.287 1.086 0.000 0.000 -0.000 3/25920 600.0 1.333 1.269 1.070 0.000 0.000 -0.000 3/25920 610.0 1.321 1.253 1.055 0.000 0.000 -0.000 3/25920 620.0 1.309 1.236 1.041 0.000 0.000 -0.000 3/25920 630.0 1.297 1.220 1.027 0.000 0.000 -0.000 3/25920 640.0 1.286 1.205 1.013 0.000 0.000 -0.000 3/25920 650.0 1.274 1.190 1.000 0.000 0.000 -0.000 3/25920 660.0 1.263 1.175 0.987 0.000 0.000 -0.000 3/25920 670.0 1.253 1.161 0.974 0.000 0.000 -0.000 3/25920 680.0 1.242 1.147 0.962 0.000 0.000 -0.000 3/25920 690.0 1.232 1.134 0.950 0.000 0.000 -0.000 3/25920 700.0 1.221 1.120 0.939 0.000 0.000 -0.000 3/25920 710.0 1.211 1.108 0.927 0.000 0.000 -0.000 3/25920 720.0 1.202 1.095 0.916 0.000 0.000 -0.000 3/25920 730.0 1.192 1.083 0.906 0.000 0.000 -0.000 3/25920 740.0 1.182 1.071 0.895 0.000 0.000 -0.000 3/25920 750.0 1.173 1.059 0.885 0.000 0.000 -0.000 3/25920 760.0 1.164 1.048 0.875 0.000 0.000 -0.000 3/25920 770.0 1.155 1.037 0.865 0.000 0.000 -0.000 3/25920 780.0 1.146 1.026 0.856 0.000 0.000 -0.000 3/25920 790.0 1.137 1.015 0.846 0.000 0.000 -0.000 3/25920 800.0 1.128 1.005 0.837 0.000 0.000 -0.000 3/25920 810.0 1.119 0.995 0.828 0.000 0.000 -0.000 3/25920 820.0 1.111 0.985 0.820 0.000 0.000 -0.000 3/25920 830.0 1.103 0.975 0.811 0.000 0.000 -0.000 3/25920 840.0 1.094 0.966 0.803 0.000 0.000 -0.000 3/25920 850.0 1.086 0.956 0.795 0.000 0.000 -0.000 3/25920 860.0 1.078 0.947 0.787 0.000 0.000 -0.000 3/25920 870.0 1.070 0.938 0.779 0.000 0.000 -0.000 3/25920 880.0 1.062 0.929 0.771 0.000 0.000 -0.000 3/25920 890.0 1.055 0.920 0.764 0.000 0.000 -0.000 3/25920 900.0 1.047 0.912 0.756 0.000 0.000 -0.000 3/25920 910.0 1.040 0.904 0.749 0.000 0.000 -0.000 3/25920 920.0 1.032 0.895 0.742 0.000 0.000 -0.000 3/25920 930.0 1.025 0.887 0.735 0.000 0.000 -0.000 3/25920 940.0 1.018 0.879 0.728 0.000 0.000 -0.000 3/25920 950.0 1.010 0.872 0.722 0.000 0.000 -0.000 3/25920 960.0 1.003 0.864 0.715 0.000 0.000 -0.000 3/25920 970.0 0.996 0.857 0.709 0.000 0.000 -0.000 3/25920 980.0 0.989 0.849 0.702 0.000 0.000 -0.000 3/25920 990.0 0.983 0.842 0.696 0.000 0.000 -0.000 3/25920 1000.0 0.976 0.835 0.690 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m896.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:55:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|