----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:49:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.378485340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.378485340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.557928880000000 Atomic positions (fractional): *1 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 2 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 *3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 *5 H 0.00000000000000 0.75799602733417 0.87843779854870 1.008 6 H 0.00000000000000 0.24200397266583 0.87843779854870 1.008 7 H 0.75799602733417 0.00000000000000 0.12156220145130 1.008 8 H 0.24200397266583 0.00000000000000 0.12156220145130 1.008 9 H 0.25799602733417 0.50000000000000 0.37843779854870 1.008 10 H 0.74200397266583 0.50000000000000 0.37843779854870 1.008 11 H 0.50000000000000 0.25799602733417 0.62156220145130 1.008 12 H 0.50000000000000 0.74200397266583 0.62156220145130 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.378485340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.378485340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.557928880000000 Atomic positions (fractional): *1 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 > 1 2 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 > 2 *3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 3 4 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 4 *5 H 0.00000000000000 0.75799602733417 0.87843779854870 1.008 > 5 6 H 0.00000000000000 0.24200397266583 0.87843779854870 1.008 > 6 7 H 0.75799602733417 0.00000000000000 0.12156220145130 1.008 > 7 8 H 0.24200397266583 0.00000000000000 0.12156220145130 1.008 > 8 9 H 0.25799602733417 0.50000000000000 0.37843779854870 1.008 > 9 10 H 0.74200397266583 0.50000000000000 0.37843779854870 1.008 > 10 11 H 0.50000000000000 0.25799602733417 0.62156220145130 1.008 > 11 12 H 0.50000000000000 0.74200397266583 0.62156220145130 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.756970680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.756970680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.115857760000001 Atomic positions (fractional): *1 Cs 0.25000000000000 0.25000000000000 0.00000000000000 132.905 > 1 2 Cs 0.75000000000000 0.25000000000000 0.00000000000000 132.905 > 1 3 Cs 0.25000000000000 0.75000000000000 0.00000000000000 132.905 > 1 4 Cs 0.75000000000000 0.75000000000000 0.00000000000000 132.905 > 1 5 Cs 0.25000000000000 0.25000000000000 0.50000000000000 132.905 > 1 6 Cs 0.75000000000000 0.25000000000000 0.50000000000000 132.905 > 1 7 Cs 0.25000000000000 0.75000000000000 0.50000000000000 132.905 > 1 8 Cs 0.75000000000000 0.75000000000000 0.50000000000000 132.905 > 1 9 Cs 0.00000000000000 0.00000000000000 0.25000000000000 132.905 > 2 10 Cs 0.50000000000000 0.00000000000000 0.25000000000000 132.905 > 2 11 Cs 0.00000000000000 0.50000000000000 0.25000000000000 132.905 > 2 12 Cs 0.50000000000000 0.50000000000000 0.25000000000000 132.905 > 2 13 Cs 0.00000000000000 0.00000000000000 0.75000000000000 132.905 > 2 14 Cs 0.50000000000000 0.00000000000000 0.75000000000000 132.905 > 2 15 Cs 0.00000000000000 0.50000000000000 0.75000000000000 132.905 > 2 16 Cs 0.50000000000000 0.50000000000000 0.75000000000000 132.905 > 2 *17 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 3 18 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 3 19 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 3 20 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 3 21 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 3 22 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 3 23 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 3 24 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 3 25 Ga 0.25000000000000 0.25000000000000 0.25000000000000 69.723 > 4 26 Ga 0.75000000000000 0.25000000000000 0.25000000000000 69.723 > 4 27 Ga 0.25000000000000 0.75000000000000 0.25000000000000 69.723 > 4 28 Ga 0.75000000000000 0.75000000000000 0.25000000000000 69.723 > 4 29 Ga 0.25000000000000 0.25000000000000 0.75000000000000 69.723 > 4 30 Ga 0.75000000000000 0.25000000000000 0.75000000000000 69.723 > 4 31 Ga 0.25000000000000 0.75000000000000 0.75000000000000 69.723 > 4 32 Ga 0.75000000000000 0.75000000000000 0.75000000000000 69.723 > 4 *33 H 0.00000000000000 0.37899801366709 0.43921889927435 1.008 > 5 34 H 0.50000000000000 0.37899801366709 0.43921889927435 1.008 > 5 35 H 0.00000000000000 0.87899801366709 0.43921889927435 1.008 > 5 36 H 0.50000000000000 0.87899801366709 0.43921889927435 1.008 > 5 37 H 0.00000000000000 0.37899801366709 0.93921889927435 1.008 > 5 38 H 0.50000000000000 0.37899801366709 0.93921889927435 1.008 > 5 39 H 0.00000000000000 0.87899801366709 0.93921889927435 1.008 > 5 40 H 0.50000000000000 0.87899801366709 0.93921889927435 1.008 > 5 41 H 0.00000000000000 0.12100198633291 0.43921889927435 1.008 > 6 42 H 0.50000000000000 0.12100198633291 0.43921889927435 1.008 > 6 43 H 0.00000000000000 0.62100198633291 0.43921889927435 1.008 > 6 44 H 0.50000000000000 0.62100198633291 0.43921889927435 1.008 > 6 45 H 0.00000000000000 0.12100198633291 0.93921889927435 1.008 > 6 46 H 0.50000000000000 0.12100198633291 0.93921889927435 1.008 > 6 47 H 0.00000000000000 0.62100198633291 0.93921889927435 1.008 > 6 48 H 0.50000000000000 0.62100198633291 0.93921889927435 1.008 > 6 49 H 0.37899801366709 0.00000000000000 0.06078110072565 1.008 > 7 50 H 0.87899801366709 0.00000000000000 0.06078110072565 1.008 > 7 51 H 0.37899801366709 0.50000000000000 0.06078110072565 1.008 > 7 52 H 0.87899801366709 0.50000000000000 0.06078110072565 1.008 > 7 53 H 0.37899801366709 0.00000000000000 0.56078110072565 1.008 > 7 54 H 0.87899801366709 0.00000000000000 0.56078110072565 1.008 > 7 55 H 0.37899801366709 0.50000000000000 0.56078110072565 1.008 > 7 56 H 0.87899801366709 0.50000000000000 0.56078110072565 1.008 > 7 57 H 0.12100198633291 0.00000000000000 0.06078110072565 1.008 > 8 58 H 0.62100198633291 0.00000000000000 0.06078110072565 1.008 > 8 59 H 0.12100198633291 0.50000000000000 0.06078110072565 1.008 > 8 60 H 0.62100198633291 0.50000000000000 0.06078110072565 1.008 > 8 61 H 0.12100198633291 0.00000000000000 0.56078110072565 1.008 > 8 62 H 0.62100198633291 0.00000000000000 0.56078110072565 1.008 > 8 63 H 0.12100198633291 0.50000000000000 0.56078110072565 1.008 > 8 64 H 0.62100198633291 0.50000000000000 0.56078110072565 1.008 > 8 65 H 0.12899801366709 0.25000000000000 0.18921889927435 1.008 > 9 66 H 0.62899801366709 0.25000000000000 0.18921889927435 1.008 > 9 67 H 0.12899801366709 0.75000000000000 0.18921889927435 1.008 > 9 68 H 0.62899801366709 0.75000000000000 0.18921889927435 1.008 > 9 69 H 0.12899801366709 0.25000000000000 0.68921889927435 1.008 > 9 70 H 0.62899801366709 0.25000000000000 0.68921889927435 1.008 > 9 71 H 0.12899801366709 0.75000000000000 0.68921889927435 1.008 > 9 72 H 0.62899801366709 0.75000000000000 0.68921889927435 1.008 > 9 73 H 0.37100198633291 0.25000000000000 0.18921889927435 1.008 > 10 74 H 0.87100198633291 0.25000000000000 0.18921889927435 1.008 > 10 75 H 0.37100198633291 0.75000000000000 0.18921889927435 1.008 > 10 76 H 0.87100198633291 0.75000000000000 0.18921889927435 1.008 > 10 77 H 0.37100198633291 0.25000000000000 0.68921889927435 1.008 > 10 78 H 0.87100198633291 0.25000000000000 0.68921889927435 1.008 > 10 79 H 0.37100198633291 0.75000000000000 0.68921889927435 1.008 > 10 80 H 0.87100198633291 0.75000000000000 0.68921889927435 1.008 > 10 81 H 0.25000000000000 0.12899801366709 0.31078110072565 1.008 > 11 82 H 0.75000000000000 0.12899801366709 0.31078110072565 1.008 > 11 83 H 0.25000000000000 0.62899801366709 0.31078110072565 1.008 > 11 84 H 0.75000000000000 0.62899801366709 0.31078110072565 1.008 > 11 85 H 0.25000000000000 0.12899801366709 0.81078110072565 1.008 > 11 86 H 0.75000000000000 0.12899801366709 0.81078110072565 1.008 > 11 87 H 0.25000000000000 0.62899801366709 0.81078110072565 1.008 > 11 88 H 0.75000000000000 0.62899801366709 0.81078110072565 1.008 > 11 89 H 0.25000000000000 0.37100198633291 0.31078110072565 1.008 > 12 90 H 0.75000000000000 0.37100198633291 0.31078110072565 1.008 > 12 91 H 0.25000000000000 0.87100198633291 0.31078110072565 1.008 > 12 92 H 0.75000000000000 0.87100198633291 0.31078110072565 1.008 > 12 93 H 0.25000000000000 0.37100198633291 0.81078110072565 1.008 > 12 94 H 0.75000000000000 0.37100198633291 0.81078110072565 1.008 > 12 95 H 0.25000000000000 0.87100198633291 0.81078110072565 1.008 > 12 96 H 0.75000000000000 0.87100198633291 0.81078110072565 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8838640 0.0000000 0.0000000 0.0000000 2.8838640 0.0000000 0.0000000 0.0000000 2.8298248 -------------------------- Born effective charges -------------------------- 1 Cs 1.2081724 0.0000000 0.0000000 0.0000000 1.2081724 0.0000000 0.0000000 0.0000000 1.2039660 2 Cs 1.2081724 0.0000000 0.0000000 0.0000000 1.2081724 0.0000000 0.0000000 0.0000000 1.2039660 3 Ga 1.0613556 0.0000000 0.0000000 0.0000000 1.0613556 0.0000000 0.0000000 0.0000000 1.0415274 4 Ga 1.0613556 0.0000000 0.0000000 0.0000000 1.0613556 0.0000000 0.0000000 0.0000000 1.0415274 5 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 -0.1744005 0.0000000 -0.1520237 -0.5613733 6 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 0.1744005 0.0000000 0.1520237 -0.5613733 7 H -0.6806056 0.0000000 0.1744005 0.0000000 -0.4541584 0.0000000 0.1520237 0.0000000 -0.5613733 8 H -0.6806056 0.0000000 -0.1744005 0.0000000 -0.4541584 0.0000000 -0.1520237 0.0000000 -0.5613733 9 H -0.6806056 0.0000000 -0.1744005 0.0000000 -0.4541584 0.0000000 -0.1520237 0.0000000 -0.5613733 10 H -0.6806056 0.0000000 0.1744005 0.0000000 -0.4541584 0.0000000 0.1520237 0.0000000 -0.5613733 11 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 0.1744005 0.0000000 0.1520237 -0.5613733 12 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 -0.1744005 0.0000000 -0.1520237 -0.5613733 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 398 Number of blocks in projector: 406 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (398, 389), data: False |-- (48, 48), data: True |-- (76, 73), data: True |-- (136, 134), data: True |-- (138, 134), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.300 Solver_block: 160 / 160 - Time: 0.184 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.491 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 398 Number of blocks in projector: 406 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (398, 389), data: False |-- (48, 48), data: True |-- (76, 73), data: True |-- (136, 134), data: True |-- (138, 134), 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 2026-01-09 04:49:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:49:26]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.378485340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.378485340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.557928880000000 Atomic positions (fractional): 1 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 2 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 5 H 0.00000000000000 0.75799602733417 0.87843779854870 1.008 6 H 0.00000000000000 0.24200397266583 0.87843779854870 1.008 7 H 0.75799602733417 0.00000000000000 0.12156220145130 1.008 8 H 0.24200397266583 0.00000000000000 0.12156220145130 1.008 9 H 0.25799602733417 0.50000000000000 0.37843779854870 1.008 10 H 0.74200397266583 0.50000000000000 0.37843779854870 1.008 11 H 0.50000000000000 0.25799602733417 0.62156220145130 1.008 12 H 0.50000000000000 0.74200397266583 0.62156220145130 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.756970680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.756970680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.115857760000001 Atomic positions (fractional): 1 Cs 0.25000000000000 0.25000000000000 0.00000000000000 132.905 > 1 2 Cs 0.75000000000000 0.25000000000000 0.00000000000000 132.905 > 1 3 Cs 0.25000000000000 0.75000000000000 0.00000000000000 132.905 > 1 4 Cs 0.75000000000000 0.75000000000000 0.00000000000000 132.905 > 1 5 Cs 0.25000000000000 0.25000000000000 0.50000000000000 132.905 > 1 6 Cs 0.75000000000000 0.25000000000000 0.50000000000000 132.905 > 1 7 Cs 0.25000000000000 0.75000000000000 0.50000000000000 132.905 > 1 8 Cs 0.75000000000000 0.75000000000000 0.50000000000000 132.905 > 1 9 Cs 0.00000000000000 0.00000000000000 0.25000000000000 132.905 > 9 10 Cs 0.50000000000000 0.00000000000000 0.25000000000000 132.905 > 9 11 Cs 0.00000000000000 0.50000000000000 0.25000000000000 132.905 > 9 12 Cs 0.50000000000000 0.50000000000000 0.25000000000000 132.905 > 9 13 Cs 0.00000000000000 0.00000000000000 0.75000000000000 132.905 > 9 14 Cs 0.50000000000000 0.00000000000000 0.75000000000000 132.905 > 9 15 Cs 0.00000000000000 0.50000000000000 0.75000000000000 132.905 > 9 16 Cs 0.50000000000000 0.50000000000000 0.75000000000000 132.905 > 9 17 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 17 18 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 17 19 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 17 20 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 17 21 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 17 22 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 17 23 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 17 24 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 17 25 Ga 0.25000000000000 0.25000000000000 0.25000000000000 69.723 > 25 26 Ga 0.75000000000000 0.25000000000000 0.25000000000000 69.723 > 25 27 Ga 0.25000000000000 0.75000000000000 0.25000000000000 69.723 > 25 28 Ga 0.75000000000000 0.75000000000000 0.25000000000000 69.723 > 25 29 Ga 0.25000000000000 0.25000000000000 0.75000000000000 69.723 > 25 30 Ga 0.75000000000000 0.25000000000000 0.75000000000000 69.723 > 25 31 Ga 0.25000000000000 0.75000000000000 0.75000000000000 69.723 > 25 32 Ga 0.75000000000000 0.75000000000000 0.75000000000000 69.723 > 25 33 H 0.00000000000000 0.37899801366709 0.43921889927435 1.008 > 33 34 H 0.50000000000000 0.37899801366709 0.43921889927435 1.008 > 33 35 H 0.00000000000000 0.87899801366709 0.43921889927435 1.008 > 33 36 H 0.50000000000000 0.87899801366709 0.43921889927435 1.008 > 33 37 H 0.00000000000000 0.37899801366709 0.93921889927435 1.008 > 33 38 H 0.50000000000000 0.37899801366709 0.93921889927435 1.008 > 33 39 H 0.00000000000000 0.87899801366709 0.93921889927435 1.008 > 33 40 H 0.50000000000000 0.87899801366709 0.93921889927435 1.008 > 33 41 H 0.00000000000000 0.12100198633291 0.43921889927435 1.008 > 41 42 H 0.50000000000000 0.12100198633291 0.43921889927435 1.008 > 41 43 H 0.00000000000000 0.62100198633291 0.43921889927435 1.008 > 41 44 H 0.50000000000000 0.62100198633291 0.43921889927435 1.008 > 41 45 H 0.00000000000000 0.12100198633291 0.93921889927435 1.008 > 41 46 H 0.50000000000000 0.12100198633291 0.93921889927435 1.008 > 41 47 H 0.00000000000000 0.62100198633291 0.93921889927435 1.008 > 41 48 H 0.50000000000000 0.62100198633291 0.93921889927435 1.008 > 41 49 H 0.37899801366709 0.00000000000000 0.06078110072565 1.008 > 49 50 H 0.87899801366709 0.00000000000000 0.06078110072565 1.008 > 49 51 H 0.37899801366709 0.50000000000000 0.06078110072565 1.008 > 49 52 H 0.87899801366709 0.50000000000000 0.06078110072565 1.008 > 49 53 H 0.37899801366709 0.00000000000000 0.56078110072565 1.008 > 49 54 H 0.87899801366709 0.00000000000000 0.56078110072565 1.008 > 49 55 H 0.37899801366709 0.50000000000000 0.56078110072565 1.008 > 49 56 H 0.87899801366709 0.50000000000000 0.56078110072565 1.008 > 49 57 H 0.12100198633291 0.00000000000000 0.06078110072565 1.008 > 57 58 H 0.62100198633291 0.00000000000000 0.06078110072565 1.008 > 57 59 H 0.12100198633291 0.50000000000000 0.06078110072565 1.008 > 57 60 H 0.62100198633291 0.50000000000000 0.06078110072565 1.008 > 57 61 H 0.12100198633291 0.00000000000000 0.56078110072565 1.008 > 57 62 H 0.62100198633291 0.00000000000000 0.56078110072565 1.008 > 57 63 H 0.12100198633291 0.50000000000000 0.56078110072565 1.008 > 57 64 H 0.62100198633291 0.50000000000000 0.56078110072565 1.008 > 57 65 H 0.12899801366709 0.25000000000000 0.18921889927435 1.008 > 65 66 H 0.62899801366709 0.25000000000000 0.18921889927435 1.008 > 65 67 H 0.12899801366709 0.75000000000000 0.18921889927435 1.008 > 65 68 H 0.62899801366709 0.75000000000000 0.18921889927435 1.008 > 65 69 H 0.12899801366709 0.25000000000000 0.68921889927435 1.008 > 65 70 H 0.62899801366709 0.25000000000000 0.68921889927435 1.008 > 65 71 H 0.12899801366709 0.75000000000000 0.68921889927435 1.008 > 65 72 H 0.62899801366709 0.75000000000000 0.68921889927435 1.008 > 65 73 H 0.37100198633291 0.25000000000000 0.18921889927435 1.008 > 73 74 H 0.87100198633291 0.25000000000000 0.18921889927435 1.008 > 73 75 H 0.37100198633291 0.75000000000000 0.18921889927435 1.008 > 73 76 H 0.87100198633291 0.75000000000000 0.18921889927435 1.008 > 73 77 H 0.37100198633291 0.25000000000000 0.68921889927435 1.008 > 73 78 H 0.87100198633291 0.25000000000000 0.68921889927435 1.008 > 73 79 H 0.37100198633291 0.75000000000000 0.68921889927435 1.008 > 73 80 H 0.87100198633291 0.75000000000000 0.68921889927435 1.008 > 73 81 H 0.25000000000000 0.12899801366709 0.31078110072565 1.008 > 81 82 H 0.75000000000000 0.12899801366709 0.31078110072565 1.008 > 81 83 H 0.25000000000000 0.62899801366709 0.31078110072565 1.008 > 81 84 H 0.75000000000000 0.62899801366709 0.31078110072565 1.008 > 81 85 H 0.25000000000000 0.12899801366709 0.81078110072565 1.008 > 81 86 H 0.75000000000000 0.12899801366709 0.81078110072565 1.008 > 81 87 H 0.25000000000000 0.62899801366709 0.81078110072565 1.008 > 81 88 H 0.75000000000000 0.62899801366709 0.81078110072565 1.008 > 81 89 H 0.25000000000000 0.37100198633291 0.31078110072565 1.008 > 89 90 H 0.75000000000000 0.37100198633291 0.31078110072565 1.008 > 89 91 H 0.25000000000000 0.87100198633291 0.31078110072565 1.008 > 89 92 H 0.75000000000000 0.87100198633291 0.31078110072565 1.008 > 89 93 H 0.25000000000000 0.37100198633291 0.81078110072565 1.008 > 89 94 H 0.75000000000000 0.37100198633291 0.81078110072565 1.008 > 89 95 H 0.25000000000000 0.87100198633291 0.81078110072565 1.008 > 89 96 H 0.75000000000000 0.87100198633291 0.81078110072565 1.008 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8838640 0.0000000 0.0000000 0.0000000 2.8838640 0.0000000 0.0000000 0.0000000 2.8298248 -------------------------- Born effective charges -------------------------- 1 Cs 1.2081724 0.0000000 0.0000000 0.0000000 1.2081724 0.0000000 0.0000000 0.0000000 1.2039660 2 Cs 1.2081724 0.0000000 0.0000000 0.0000000 1.2081724 0.0000000 0.0000000 0.0000000 1.2039660 3 Ga 1.0613556 0.0000000 0.0000000 0.0000000 1.0613556 0.0000000 0.0000000 0.0000000 1.0415274 4 Ga 1.0613556 0.0000000 0.0000000 0.0000000 1.0613556 0.0000000 0.0000000 0.0000000 1.0415274 5 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 -0.1744005 0.0000000 -0.1520237 -0.5613733 6 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 0.1744005 0.0000000 0.1520237 -0.5613733 7 H -0.6806056 0.0000000 0.1744005 0.0000000 -0.4541584 0.0000000 0.1520237 0.0000000 -0.5613733 8 H -0.6806056 0.0000000 -0.1744005 0.0000000 -0.4541584 0.0000000 -0.1520237 0.0000000 -0.5613733 9 H -0.6806056 0.0000000 -0.1744005 0.0000000 -0.4541584 0.0000000 -0.1520237 0.0000000 -0.5613733 10 H -0.6806056 0.0000000 0.1744005 0.0000000 -0.4541584 0.0000000 0.1520237 0.0000000 -0.5613733 11 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 0.1744005 0.0000000 0.1520237 -0.5613733 12 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 -0.1744005 0.0000000 -0.1520237 -0.5613733 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000019 (zzz) -0.00000019 (zzz) -0.00000019 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:49:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:49:33]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.378485340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.378485340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.557928880000000 Atomic positions (fractional): 1 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 2 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 3 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 5 H 0.00000000000000 0.75799602733417 0.87843779854870 1.008 6 H 0.00000000000000 0.24200397266583 0.87843779854870 1.008 7 H 0.75799602733417 0.00000000000000 0.12156220145130 1.008 8 H 0.24200397266583 0.00000000000000 0.12156220145130 1.008 9 H 0.25799602733417 0.50000000000000 0.37843779854870 1.008 10 H 0.74200397266583 0.50000000000000 0.37843779854870 1.008 11 H 0.50000000000000 0.25799602733417 0.62156220145130 1.008 12 H 0.50000000000000 0.74200397266583 0.62156220145130 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.756970680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.756970680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.115857760000001 Atomic positions (fractional): 1 Cs 0.25000000000000 0.25000000000000 0.00000000000000 132.905 > 1 2 Cs 0.75000000000000 0.25000000000000 0.00000000000000 132.905 > 1 3 Cs 0.25000000000000 0.75000000000000 0.00000000000000 132.905 > 1 4 Cs 0.75000000000000 0.75000000000000 0.00000000000000 132.905 > 1 5 Cs 0.25000000000000 0.25000000000000 0.50000000000000 132.905 > 1 6 Cs 0.75000000000000 0.25000000000000 0.50000000000000 132.905 > 1 7 Cs 0.25000000000000 0.75000000000000 0.50000000000000 132.905 > 1 8 Cs 0.75000000000000 0.75000000000000 0.50000000000000 132.905 > 1 9 Cs 0.00000000000000 0.00000000000000 0.25000000000000 132.905 > 9 10 Cs 0.50000000000000 0.00000000000000 0.25000000000000 132.905 > 9 11 Cs 0.00000000000000 0.50000000000000 0.25000000000000 132.905 > 9 12 Cs 0.50000000000000 0.50000000000000 0.25000000000000 132.905 > 9 13 Cs 0.00000000000000 0.00000000000000 0.75000000000000 132.905 > 9 14 Cs 0.50000000000000 0.00000000000000 0.75000000000000 132.905 > 9 15 Cs 0.00000000000000 0.50000000000000 0.75000000000000 132.905 > 9 16 Cs 0.50000000000000 0.50000000000000 0.75000000000000 132.905 > 9 17 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 17 18 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 17 19 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 17 20 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 17 21 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 17 22 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 17 23 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 17 24 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 17 25 Ga 0.25000000000000 0.25000000000000 0.25000000000000 69.723 > 25 26 Ga 0.75000000000000 0.25000000000000 0.25000000000000 69.723 > 25 27 Ga 0.25000000000000 0.75000000000000 0.25000000000000 69.723 > 25 28 Ga 0.75000000000000 0.75000000000000 0.25000000000000 69.723 > 25 29 Ga 0.25000000000000 0.25000000000000 0.75000000000000 69.723 > 25 30 Ga 0.75000000000000 0.25000000000000 0.75000000000000 69.723 > 25 31 Ga 0.25000000000000 0.75000000000000 0.75000000000000 69.723 > 25 32 Ga 0.75000000000000 0.75000000000000 0.75000000000000 69.723 > 25 33 H 0.00000000000000 0.37899801366709 0.43921889927435 1.008 > 33 34 H 0.50000000000000 0.37899801366709 0.43921889927435 1.008 > 33 35 H 0.00000000000000 0.87899801366709 0.43921889927435 1.008 > 33 36 H 0.50000000000000 0.87899801366709 0.43921889927435 1.008 > 33 37 H 0.00000000000000 0.37899801366709 0.93921889927435 1.008 > 33 38 H 0.50000000000000 0.37899801366709 0.93921889927435 1.008 > 33 39 H 0.00000000000000 0.87899801366709 0.93921889927435 1.008 > 33 40 H 0.50000000000000 0.87899801366709 0.93921889927435 1.008 > 33 41 H 0.00000000000000 0.12100198633291 0.43921889927435 1.008 > 41 42 H 0.50000000000000 0.12100198633291 0.43921889927435 1.008 > 41 43 H 0.00000000000000 0.62100198633291 0.43921889927435 1.008 > 41 44 H 0.50000000000000 0.62100198633291 0.43921889927435 1.008 > 41 45 H 0.00000000000000 0.12100198633291 0.93921889927435 1.008 > 41 46 H 0.50000000000000 0.12100198633291 0.93921889927435 1.008 > 41 47 H 0.00000000000000 0.62100198633291 0.93921889927435 1.008 > 41 48 H 0.50000000000000 0.62100198633291 0.93921889927435 1.008 > 41 49 H 0.37899801366709 0.00000000000000 0.06078110072565 1.008 > 49 50 H 0.87899801366709 0.00000000000000 0.06078110072565 1.008 > 49 51 H 0.37899801366709 0.50000000000000 0.06078110072565 1.008 > 49 52 H 0.87899801366709 0.50000000000000 0.06078110072565 1.008 > 49 53 H 0.37899801366709 0.00000000000000 0.56078110072565 1.008 > 49 54 H 0.87899801366709 0.00000000000000 0.56078110072565 1.008 > 49 55 H 0.37899801366709 0.50000000000000 0.56078110072565 1.008 > 49 56 H 0.87899801366709 0.50000000000000 0.56078110072565 1.008 > 49 57 H 0.12100198633291 0.00000000000000 0.06078110072565 1.008 > 57 58 H 0.62100198633291 0.00000000000000 0.06078110072565 1.008 > 57 59 H 0.12100198633291 0.50000000000000 0.06078110072565 1.008 > 57 60 H 0.62100198633291 0.50000000000000 0.06078110072565 1.008 > 57 61 H 0.12100198633291 0.00000000000000 0.56078110072565 1.008 > 57 62 H 0.62100198633291 0.00000000000000 0.56078110072565 1.008 > 57 63 H 0.12100198633291 0.50000000000000 0.56078110072565 1.008 > 57 64 H 0.62100198633291 0.50000000000000 0.56078110072565 1.008 > 57 65 H 0.12899801366709 0.25000000000000 0.18921889927435 1.008 > 65 66 H 0.62899801366709 0.25000000000000 0.18921889927435 1.008 > 65 67 H 0.12899801366709 0.75000000000000 0.18921889927435 1.008 > 65 68 H 0.62899801366709 0.75000000000000 0.18921889927435 1.008 > 65 69 H 0.12899801366709 0.25000000000000 0.68921889927435 1.008 > 65 70 H 0.62899801366709 0.25000000000000 0.68921889927435 1.008 > 65 71 H 0.12899801366709 0.75000000000000 0.68921889927435 1.008 > 65 72 H 0.62899801366709 0.75000000000000 0.68921889927435 1.008 > 65 73 H 0.37100198633291 0.25000000000000 0.18921889927435 1.008 > 73 74 H 0.87100198633291 0.25000000000000 0.18921889927435 1.008 > 73 75 H 0.37100198633291 0.75000000000000 0.18921889927435 1.008 > 73 76 H 0.87100198633291 0.75000000000000 0.18921889927435 1.008 > 73 77 H 0.37100198633291 0.25000000000000 0.68921889927435 1.008 > 73 78 H 0.87100198633291 0.25000000000000 0.68921889927435 1.008 > 73 79 H 0.37100198633291 0.75000000000000 0.68921889927435 1.008 > 73 80 H 0.87100198633291 0.75000000000000 0.68921889927435 1.008 > 73 81 H 0.25000000000000 0.12899801366709 0.31078110072565 1.008 > 81 82 H 0.75000000000000 0.12899801366709 0.31078110072565 1.008 > 81 83 H 0.25000000000000 0.62899801366709 0.31078110072565 1.008 > 81 84 H 0.75000000000000 0.62899801366709 0.31078110072565 1.008 > 81 85 H 0.25000000000000 0.12899801366709 0.81078110072565 1.008 > 81 86 H 0.75000000000000 0.12899801366709 0.81078110072565 1.008 > 81 87 H 0.25000000000000 0.62899801366709 0.81078110072565 1.008 > 81 88 H 0.75000000000000 0.62899801366709 0.81078110072565 1.008 > 81 89 H 0.25000000000000 0.37100198633291 0.31078110072565 1.008 > 89 90 H 0.75000000000000 0.37100198633291 0.31078110072565 1.008 > 89 91 H 0.25000000000000 0.87100198633291 0.31078110072565 1.008 > 89 92 H 0.75000000000000 0.87100198633291 0.31078110072565 1.008 > 89 93 H 0.25000000000000 0.37100198633291 0.81078110072565 1.008 > 89 94 H 0.75000000000000 0.37100198633291 0.81078110072565 1.008 > 89 95 H 0.25000000000000 0.87100198633291 0.81078110072565 1.008 > 89 96 H 0.75000000000000 0.87100198633291 0.81078110072565 1.008 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8838640 0.0000000 0.0000000 0.0000000 2.8838640 0.0000000 0.0000000 0.0000000 2.8298248 -------------------------- Born effective charges -------------------------- 1 Cs 1.2081724 0.0000000 0.0000000 0.0000000 1.2081724 0.0000000 0.0000000 0.0000000 1.2039660 2 Cs 1.2081724 0.0000000 0.0000000 0.0000000 1.2081724 0.0000000 0.0000000 0.0000000 1.2039660 3 Ga 1.0613556 0.0000000 0.0000000 0.0000000 1.0613556 0.0000000 0.0000000 0.0000000 1.0415274 4 Ga 1.0613556 0.0000000 0.0000000 0.0000000 1.0613556 0.0000000 0.0000000 0.0000000 1.0415274 5 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 -0.1744005 0.0000000 -0.1520237 -0.5613733 6 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 0.1744005 0.0000000 0.1520237 -0.5613733 7 H -0.6806056 0.0000000 0.1744005 0.0000000 -0.4541584 0.0000000 0.1520237 0.0000000 -0.5613733 8 H -0.6806056 0.0000000 -0.1744005 0.0000000 -0.4541584 0.0000000 -0.1520237 0.0000000 -0.5613733 9 H -0.6806056 0.0000000 -0.1744005 0.0000000 -0.4541584 0.0000000 -0.1520237 0.0000000 -0.5613733 10 H -0.6806056 0.0000000 0.1744005 0.0000000 -0.4541584 0.0000000 0.1520237 0.0000000 -0.5613733 11 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 0.1744005 0.0000000 0.1520237 -0.5613733 12 H -0.4541584 0.0000000 0.0000000 0.0000000 -0.6806056 -0.1744005 0.0000000 -0.1520237 -0.5613733 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000019 (zzz) -0.00000019 (zzz) -0.00000019 (zzz) 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 ... [ 9 9 7 ] 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: 0.69, Number of G-points: 319, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 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 0.676 ( 0.000 0.000 0.000) 0.000 0.676 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 -0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 -0.000) 0.000 2.677 ( 0.000 -0.000 0.000) 0.000 2.729 ( 0.000 -0.000 -0.000) 0.000 8.106 ( -0.000 0.000 -0.000) 0.000 8.416 ( 0.000 0.000 -0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 -0.000 -0.000) 0.000 9.053 ( 0.000 0.000 -0.000) 0.000 9.077 ( 0.000 -0.000 -0.000) 0.000 21.154 ( 0.000 0.000 -0.000) 0.000 21.161 ( 0.000 -0.000 0.000) 0.000 21.161 ( 0.000 0.000 0.000) 0.000 21.463 ( 0.000 -0.000 0.000) 0.000 21.463 ( 0.000 0.000 -0.000) 0.000 22.137 ( 0.000 0.000 -0.000) 0.000 23.737 ( 0.000 0.000 0.000) 0.000 23.767 ( 0.000 -0.000 0.000) 0.000 23.820 ( 0.000 -0.000 0.000) 0.000 24.079 ( 0.000 0.000 0.000) 0.000 52.238 ( 0.000 0.000 0.000) 0.000 52.238 ( -0.000 0.000 -0.000) 0.000 52.465 ( -0.000 0.000 0.000) 0.000 52.465 ( 0.000 0.000 0.000) 0.000 52.502 ( 0.000 0.000 0.000) 0.000 53.015 ( 0.000 0.000 0.000) 0.000 53.475 ( -0.000 0.000 0.000) 0.000 53.628 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.174 ( 8.433 0.000 0.000) 8.433 0.416 ( 19.813 0.000 0.000) 19.813 0.538 ( 25.367 0.000 0.000) 25.367 0.787 ( 9.795 0.000 0.000) 9.795 0.873 ( 16.498 0.000 0.000) 16.498 1.220 ( -3.114 0.000 0.000) 3.114 2.478 ( -2.529 0.000 0.000) 2.529 2.492 ( -3.080 0.000 0.000) 3.080 2.521 ( -0.397 0.000 0.000) 0.397 2.676 ( -0.105 0.000 0.000) 0.105 2.725 ( -0.416 0.000 0.000) 0.416 2.994 ( -2.782 0.000 0.000) 2.782 8.162 ( 5.291 0.000 0.000) 5.291 8.440 ( 2.224 0.000 0.000) 2.224 8.508 ( 8.031 0.000 0.000) 8.031 9.037 ( -1.524 0.000 0.000) 1.524 9.071 ( -0.592 0.000 0.000) 0.592 9.110 ( 5.116 0.000 0.000) 5.116 21.169 ( 1.600 0.000 0.000) 1.600 21.188 ( 2.556 0.000 0.000) 2.556 21.471 ( 0.717 0.000 0.000) 0.717 21.565 ( 9.429 0.000 0.000) 9.429 22.087 ( -4.657 0.000 0.000) 4.657 23.173 ( -0.697 0.000 0.000) 0.697 23.731 ( -0.556 0.000 0.000) 0.556 23.758 ( -0.797 0.000 0.000) 0.797 23.826 ( 0.625 0.000 0.000) 0.625 24.066 ( -1.179 0.000 0.000) 1.179 52.249 ( 0.962 0.000 0.000) 0.962 52.461 ( -0.344 0.000 0.000) 0.344 52.466 ( 0.590 0.000 0.000) 0.590 52.558 ( 4.835 0.000 0.000) 4.835 52.951 ( -4.907 0.000 0.000) 4.907 53.292 ( 3.260 0.000 0.000) 3.260 53.483 ( 0.812 0.000 0.000) 0.812 53.630 ( 0.159 0.000 0.000) 0.159 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 8.225 0.000 0.000) 8.225 0.812 ( 18.277 0.000 0.000) 18.277 1.029 ( 19.933 0.000 0.000) 19.933 1.034 ( 13.160 0.000 0.000) 13.160 1.136 ( -2.965 0.000 0.000) 2.965 1.262 ( 19.687 0.000 0.000) 19.687 2.399 ( -5.711 0.000 0.000) 5.711 2.401 ( -4.844 0.000 0.000) 4.844 2.499 ( -1.896 0.000 0.000) 1.896 2.673 ( -0.216 0.000 0.000) 0.216 2.714 ( -0.587 0.000 0.000) 0.587 2.907 ( -5.609 0.000 0.000) 5.609 8.313 ( 8.934 0.000 0.000) 8.934 8.505 ( 4.021 0.000 0.000) 4.021 8.730 ( 12.812 0.000 0.000) 12.812 8.991 ( -2.940 0.000 0.000) 2.940 9.048 ( -1.823 0.000 0.000) 1.823 9.238 ( 6.504 0.000 0.000) 6.504 21.224 ( 3.668 0.000 0.000) 3.668 21.261 ( 4.242 0.000 0.000) 4.242 21.489 ( 0.883 0.000 0.000) 0.883 21.830 ( 15.654 0.000 0.000) 15.654 21.957 ( -7.595 0.000 0.000) 7.595 23.138 ( -3.080 0.000 0.000) 3.080 23.715 ( -0.901 0.000 0.000) 0.901 23.736 ( -1.283 0.000 0.000) 1.283 23.845 ( 1.157 0.000 0.000) 1.157 24.033 ( -1.916 0.000 0.000) 1.916 52.277 ( 1.702 0.000 0.000) 1.702 52.450 ( -0.755 0.000 0.000) 0.755 52.492 ( 1.850 0.000 0.000) 1.850 52.691 ( 7.842 0.000 0.000) 7.842 52.845 ( -5.032 0.000 0.000) 5.032 53.342 ( 1.015 0.000 0.000) 1.015 53.508 ( 1.562 0.000 0.000) 1.562 53.633 ( 0.091 0.000 0.000) 0.091 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 7.980 0.000 0.000) 7.980 0.990 ( -6.986 0.000 0.000) 6.986 1.162 ( 15.283 0.000 0.000) 15.283 1.298 ( 11.633 0.000 0.000) 11.633 1.466 ( 18.123 0.000 0.000) 18.123 1.643 ( 16.307 0.000 0.000) 16.307 2.265 ( -6.925 0.000 0.000) 6.925 2.283 ( -6.313 0.000 0.000) 6.313 2.443 ( -3.221 0.000 0.000) 3.221 2.662 ( -1.372 0.000 0.000) 1.372 2.702 ( -0.509 0.000 0.000) 0.509 2.769 ( -7.134 0.000 0.000) 7.134 8.514 ( 10.102 0.000 0.000) 10.102 8.601 ( 5.098 0.000 0.000) 5.098 8.917 ( -4.134 0.000 0.000) 4.134 8.990 ( -3.937 0.000 0.000) 3.937 9.004 ( 12.895 0.000 0.000) 12.895 9.347 ( 3.326 0.000 0.000) 3.326 21.319 ( 5.548 0.000 0.000) 5.548 21.354 ( 4.504 0.000 0.000) 4.504 21.501 ( 0.122 0.000 0.000) 0.122 21.786 ( -8.605 0.000 0.000) 8.605 22.183 ( 17.812 0.000 0.000) 17.812 23.034 ( -7.217 0.000 0.000) 7.217 23.697 ( -0.814 0.000 0.000) 0.814 23.709 ( -1.227 0.000 0.000) 1.227 23.873 ( 1.553 0.000 0.000) 1.553 23.991 ( -2.124 0.000 0.000) 2.124 52.316 ( 2.075 0.000 0.000) 2.075 52.430 ( -1.241 0.000 0.000) 1.241 52.539 ( 2.643 0.000 0.000) 2.643 52.749 ( -4.251 0.000 0.000) 4.251 52.872 ( 9.327 0.000 0.000) 9.327 53.323 ( -2.903 0.000 0.000) 2.903 53.546 ( 2.025 0.000 0.000) 2.025 53.631 ( -0.345 0.000 0.000) 0.345 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 7.836 0.000 0.000) 7.836 0.837 ( -7.660 0.000 0.000) 7.660 1.419 ( 8.711 0.000 0.000) 8.711 1.473 ( 3.940 0.000 0.000) 3.940 1.777 ( 11.288 0.000 0.000) 11.288 1.873 ( 3.746 0.000 0.000) 3.746 2.145 ( -3.408 0.000 0.000) 3.408 2.161 ( -4.519 0.000 0.000) 4.519 2.412 ( 2.202 0.000 0.000) 2.202 2.546 ( -8.727 0.000 0.000) 8.727 2.694 ( -0.275 0.000 0.000) 0.275 2.694 ( -0.554 0.000 0.000) 0.554 8.710 ( 5.293 0.000 0.000) 5.293 8.713 ( 8.703 0.000 0.000) 8.703 8.824 ( -4.679 0.000 0.000) 4.679 8.881 ( -6.520 0.000 0.000) 6.520 9.235 ( 8.889 0.000 0.000) 8.889 9.356 ( -2.667 0.000 0.000) 2.667 21.437 ( 3.371 0.000 0.000) 3.371 21.451 ( 7.113 0.000 0.000) 7.113 21.488 ( -1.511 0.000 0.000) 1.511 21.610 ( -8.250 0.000 0.000) 8.250 22.540 ( 16.179 0.000 0.000) 16.179 22.835 ( -12.085 0.000 0.000) 12.085 23.685 ( -0.220 0.000 0.000) 0.220 23.689 ( -0.620 0.000 0.000) 0.620 23.908 ( 1.823 0.000 0.000) 1.823 23.948 ( -2.022 0.000 0.000) 2.022 52.360 ( 2.052 0.000 0.000) 2.052 52.399 ( -1.723 0.000 0.000) 1.723 52.599 ( 3.140 0.000 0.000) 3.140 52.668 ( -3.597 0.000 0.000) 3.597 53.063 ( 8.847 0.000 0.000) 8.847 53.224 ( -6.513 0.000 0.000) 6.513 53.586 ( 1.776 0.000 0.000) 1.776 53.616 ( -1.075 0.000 0.000) 1.075 ======================= Grid point 10 (6/60) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( 5.462 5.462 0.000) 7.724 0.387 ( 8.534 8.534 0.000) 12.068 0.793 ( 4.894 4.894 0.000) 6.922 0.861 ( 19.673 19.673 0.000) 27.822 1.082 ( 14.706 14.706 0.000) 20.797 1.181 ( -3.312 -3.312 0.000) 4.684 2.435 ( -4.129 -4.129 0.000) 5.839 2.536 ( 1.348 1.348 0.000) 1.907 2.544 ( 0.831 0.831 0.000) 1.175 2.675 ( -0.118 -0.118 0.000) 0.167 2.720 ( -0.456 -0.456 0.000) 0.646 2.896 ( -5.973 -5.973 0.000) 8.448 8.211 ( 4.591 4.591 0.000) 6.493 8.496 ( 3.592 3.592 0.000) 5.080 8.550 ( 5.807 5.807 0.000) 8.213 9.061 ( -1.004 -1.004 0.000) 1.419 9.082 ( 1.103 1.103 0.000) 1.560 9.102 ( 2.106 2.106 0.000) 2.979 21.182 ( 1.371 1.371 0.000) 1.939 21.191 ( 1.357 1.357 0.000) 1.919 21.547 ( 3.523 3.523 0.000) 4.982 21.583 ( 5.300 5.300 0.000) 7.496 22.098 ( -1.935 -1.935 0.000) 2.736 23.070 ( -4.956 -4.956 0.000) 7.008 23.725 ( -0.573 -0.573 0.000) 0.811 23.806 ( 0.930 0.930 0.000) 1.316 23.841 ( 1.502 1.502 0.000) 2.124 24.057 ( -0.915 -0.915 0.000) 1.294 52.217 ( -0.696 -0.696 0.000) 0.984 52.446 ( -0.232 -0.232 0.000) 0.328 52.504 ( 1.735 1.735 0.000) 2.454 52.583 ( 3.086 3.086 0.000) 4.365 53.031 ( 0.384 0.384 0.000) 0.542 53.233 ( -0.665 -0.665 0.000) 0.940 53.492 ( 0.778 0.778 0.000) 1.100 53.631 ( 0.152 0.152 0.000) 0.214 ======================= Grid point 11 (7/60) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 6.915 2.319 0.000) 7.294 0.680 ( 16.786 -5.360 0.000) 17.621 0.980 ( 12.019 -1.913 0.000) 12.170 1.089 ( -5.299 -3.056 0.000) 6.117 1.266 ( 18.633 14.786 0.000) 23.787 1.403 ( 15.327 10.157 0.000) 18.387 2.334 ( -5.388 -4.631 0.000) 7.105 2.477 ( -6.209 5.944 0.000) 8.595 2.542 ( -1.195 2.515 0.000) 2.785 2.671 ( -0.259 -0.164 0.000) 0.306 2.708 ( -0.639 -0.547 0.000) 0.841 2.799 ( -3.930 -9.418 0.000) 10.206 8.341 ( 7.740 2.685 0.000) 8.193 8.565 ( 3.730 5.225 0.000) 6.420 8.748 ( 11.921 2.119 0.000) 12.108 9.028 ( -2.275 -1.914 0.000) 2.973 9.038 ( -3.207 4.154 0.000) 5.248 9.219 ( 6.351 -1.727 0.000) 6.581 21.229 ( 3.201 0.703 0.000) 3.278 21.247 ( 3.695 -0.540 0.000) 3.734 21.560 ( -0.057 6.333 0.000) 6.334 21.817 ( 14.446 -0.989 0.000) 14.480 21.993 ( -7.376 1.819 0.000) 7.597 22.993 ( -3.441 -10.422 0.000) 10.975 23.710 ( -0.795 -0.489 0.000) 0.934 23.799 ( -1.227 2.643 0.000) 2.914 23.868 ( 1.199 2.770 0.000) 3.019 24.031 ( -1.507 -0.259 0.000) 1.529 52.232 ( 1.793 -2.543 0.000) 3.111 52.443 ( -0.333 -0.212 0.000) 0.395 52.531 ( 1.316 3.003 0.000) 3.279 52.694 ( 7.130 0.481 0.000) 7.146 52.940 ( -6.240 6.487 0.000) 9.001 53.276 ( 1.965 -5.435 0.000) 5.780 53.515 ( 1.484 0.684 0.000) 1.634 53.634 ( 0.088 0.142 0.000) 0.167 ======================= Grid point 12 (8/60) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 7.174 0.389 0.000) 7.185 0.955 ( -4.963 -3.357 0.000) 5.992 1.034 ( 14.348 -8.206 0.000) 16.529 1.246 ( 12.674 -3.990 0.000) 13.288 1.609 ( 13.835 9.832 0.000) 16.973 1.666 ( 8.585 0.614 0.000) 8.607 2.241 ( -2.371 -0.659 0.000) 2.461 2.323 ( -7.714 2.950 0.000) 8.259 2.493 ( -3.403 3.632 0.000) 4.977 2.655 ( -2.148 -0.860 0.000) 2.314 2.695 ( -0.526 -0.619 0.000) 0.812 2.715 ( -3.684 -4.145 0.000) 5.545 8.516 ( 8.841 0.210 0.000) 8.844 8.653 ( 4.700 4.632 0.000) 6.599 8.947 ( -1.845 -2.956 0.000) 3.484 8.959 ( -4.323 3.761 0.000) 5.730 9.019 ( 9.819 0.668 0.000) 9.842 9.326 ( 3.402 -1.822 0.000) 3.859 21.312 ( 4.640 -0.410 0.000) 4.658 21.331 ( 4.123 -1.606 0.000) 4.425 21.555 ( -0.429 4.615 0.000) 4.634 21.822 ( -8.662 2.494 0.000) 9.013 22.142 ( 16.339 -3.611 0.000) 16.733 22.898 ( -6.169 -10.928 0.000) 12.549 23.696 ( -0.394 -0.019 0.000) 0.395 23.763 ( -2.057 3.173 0.000) 3.781 23.895 ( 1.438 2.303 0.000) 2.715 23.997 ( -1.722 0.507 0.000) 1.795 52.280 ( 2.668 -2.413 0.000) 3.597 52.426 ( -1.387 -0.160 0.000) 1.397 52.569 ( 2.490 2.577 0.000) 3.584 52.817 ( -5.500 5.132 0.000) 7.522 52.861 ( 8.726 -0.872 0.000) 8.770 53.275 ( -2.180 -4.345 0.000) 4.861 53.551 ( 1.928 0.509 0.000) 1.994 53.632 ( -0.330 0.157 0.000) 0.366 ======================= Grid point 13 (9/60) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 7.236 -0.956 0.000) 7.299 0.816 ( -7.161 -2.005 0.000) 7.436 1.325 ( 11.756 -7.814 0.000) 14.116 1.439 ( 3.190 -3.197 0.000) 4.516 1.741 ( 1.460 -10.017 0.000) 10.123 1.781 ( 1.355 -0.807 0.000) 1.577 2.221 ( -0.404 5.262 0.000) 5.278 2.250 ( 0.502 7.397 0.000) 7.414 2.439 ( 0.657 2.462 0.000) 2.549 2.546 ( -7.086 0.184 0.000) 7.089 2.685 ( -0.192 -0.744 0.000) 0.768 2.687 ( -0.274 -0.622 0.000) 0.680 8.694 ( 8.070 -1.908 0.000) 8.293 8.755 ( 4.898 3.879 0.000) 6.248 8.847 ( -6.072 -3.014 0.000) 6.779 8.863 ( -4.904 3.608 0.000) 6.088 9.228 ( 8.287 -0.501 0.000) 8.302 9.340 ( -2.331 -1.408 0.000) 2.724 21.404 ( 3.177 -2.305 0.000) 3.925 21.404 ( 2.525 -2.329 0.000) 3.436 21.556 ( 1.493 4.114 0.000) 4.377 21.653 ( -7.246 3.034 0.000) 7.856 22.467 ( 14.537 -6.465 0.000) 15.910 22.727 ( -10.492 -9.165 0.000) 13.931 23.698 ( 0.609 0.992 0.000) 1.164 23.722 ( -1.703 2.306 0.000) 2.867 23.927 ( 1.615 1.759 0.000) 2.388 23.961 ( -1.712 1.186 0.000) 2.083 52.336 ( 2.703 -1.586 0.000) 3.134 52.388 ( -2.223 -0.703 0.000) 2.332 52.632 ( 3.510 2.687 0.000) 4.420 52.714 ( -4.453 3.598 0.000) 5.725 53.040 ( 8.259 -2.061 0.000) 8.512 53.189 ( -5.923 -3.197 0.000) 6.730 53.590 ( 1.710 0.337 0.000) 1.743 53.619 ( -1.034 0.220 0.000) 1.057 ======================= Grid point 20 (10/60) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 4.047 4.047 0.000) 5.724 0.683 ( 5.683 5.683 0.000) 8.037 1.002 ( -5.010 -5.010 0.000) 7.085 1.011 ( 5.062 5.062 0.000) 7.159 1.570 ( 13.622 13.622 0.000) 19.264 1.592 ( 6.382 6.382 0.000) 9.026 2.252 ( -2.176 -2.176 0.000) 3.077 2.560 ( -9.392 -9.392 0.000) 13.283 2.576 ( 0.561 0.561 0.000) 0.794 2.594 ( 1.218 1.218 0.000) 1.722 2.667 ( -0.223 -0.223 0.000) 0.315 2.694 ( -0.745 -0.745 0.000) 1.054 8.418 ( 4.532 4.532 0.000) 6.409 8.676 ( 4.522 4.522 0.000) 6.395 8.848 ( 7.895 7.895 0.000) 11.165 8.971 ( -3.424 -3.424 0.000) 4.842 9.109 ( -0.197 -0.197 0.000) 0.279 9.203 ( 2.559 2.559 0.000) 3.619 21.258 ( 2.051 2.051 0.000) 2.901 21.259 ( 1.711 1.711 0.000) 2.419 21.682 ( 2.088 2.088 0.000) 2.952 21.844 ( 6.593 6.593 0.000) 9.323 21.974 ( -4.000 -4.000 0.000) 5.657 22.801 ( -7.647 -7.647 0.000) 10.815 23.699 ( -0.406 -0.406 0.000) 0.574 23.816 ( -0.219 -0.219 0.000) 0.309 23.927 ( 2.034 2.034 0.000) 2.876 24.022 ( -0.577 -0.577 0.000) 0.815 52.212 ( 0.706 0.706 0.000) 0.999 52.442 ( -0.136 -0.136 0.000) 0.192 52.589 ( 2.106 2.106 0.000) 2.978 52.733 ( 3.922 3.922 0.000) 5.547 53.008 ( -1.797 -1.797 0.000) 2.542 53.182 ( -1.846 -1.846 0.000) 2.611 53.536 ( 1.306 1.306 0.000) 1.847 53.637 ( 0.101 0.101 0.000) 0.143 ======================= Grid point 21 (11/60) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 5.027 1.194 0.000) 5.167 0.862 ( 4.358 -4.293 0.000) 6.117 0.905 ( 1.830 -4.497 0.000) 4.855 1.175 ( 10.162 -2.023 0.000) 10.362 1.613 ( -4.285 -6.010 0.000) 7.381 1.778 ( 4.556 4.785 0.000) 6.607 2.283 ( 5.021 4.717 0.000) 6.889 2.354 ( -6.429 -0.334 0.000) 6.437 2.560 ( -2.132 2.491 0.000) 3.279 2.620 ( -0.847 -0.983 0.000) 1.298 2.667 ( 0.147 -0.730 0.000) 0.745 2.679 ( -0.579 -0.832 0.000) 1.014 8.523 ( 5.528 0.505 0.000) 5.551 8.756 ( 3.497 3.886 0.000) 5.227 8.882 ( -4.378 -2.796 0.000) 5.195 9.045 ( -4.391 3.369 0.000) 5.534 9.048 ( 9.787 2.865 0.000) 10.198 9.287 ( 3.443 -1.306 0.000) 3.683 21.309 ( 2.886 -0.242 0.000) 2.896 21.312 ( 3.091 0.539 0.000) 3.138 21.658 ( -2.327 4.255 0.000) 4.850 21.847 ( -7.480 -0.797 0.000) 7.522 22.064 ( 12.422 -2.725 0.000) 12.717 22.663 ( -6.332 -10.610 0.000) 12.355 23.698 ( 0.387 0.241 0.000) 0.455 23.798 ( -1.548 0.417 0.000) 1.603 23.954 ( 0.862 2.612 0.000) 2.751 24.007 ( -0.840 0.406 0.000) 0.933 52.252 ( 2.798 -0.029 0.000) 2.798 52.428 ( -1.439 0.263 0.000) 1.463 52.626 ( 2.088 2.433 0.000) 3.206 52.849 ( 6.726 0.245 0.000) 6.730 52.904 ( -6.272 2.295 0.000) 6.679 53.168 ( -1.296 -5.233 0.000) 5.391 53.567 ( 1.657 1.015 0.000) 1.943 53.636 ( -0.252 0.182 0.000) 0.311 ======================= Grid point 22 (12/60) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 5.598 -1.122 0.000) 5.710 0.762 ( -5.880 -2.924 0.000) 6.567 1.146 ( 12.731 -8.731 0.000) 15.437 1.346 ( -1.035 -5.677 0.000) 5.771 1.515 ( 2.692 -11.131 0.000) 11.452 1.709 ( -9.555 -6.361 0.000) 11.479 2.349 ( 4.297 6.464 0.000) 7.762 2.400 ( 3.540 6.809 0.000) 7.674 2.503 ( -1.599 3.331 0.000) 3.695 2.565 ( -4.173 1.748 0.000) 4.525 2.668 ( 0.028 -0.795 0.000) 0.796 2.671 ( -0.251 -0.850 0.000) 0.887 8.641 ( 5.830 -2.870 0.000) 6.498 8.757 ( -4.851 -4.459 0.000) 6.589 8.858 ( 3.620 4.377 0.000) 5.680 8.949 ( -4.708 3.821 0.000) 6.063 9.225 ( 6.721 0.591 0.000) 6.746 9.311 ( -1.421 -0.930 0.000) 1.698 21.364 ( 1.995 -1.281 0.000) 2.371 21.369 ( 1.756 -0.968 0.000) 2.005 21.630 ( 0.461 2.519 0.000) 2.561 21.700 ( -5.983 0.914 0.000) 6.052 22.314 ( 11.203 -7.197 0.000) 13.315 22.516 ( -8.319 -10.059 0.000) 13.054 23.718 ( 1.520 0.836 0.000) 1.735 23.757 ( -2.150 0.944 0.000) 2.348 23.970 ( 0.840 2.081 0.000) 2.244 23.989 ( -0.925 1.277 0.000) 1.576 52.317 ( 3.346 -0.018 0.000) 3.346 52.382 ( -2.817 0.283 0.000) 2.831 52.686 ( 3.777 2.057 0.000) 4.300 52.781 ( -5.378 2.224 0.000) 5.820 52.991 ( 6.567 -2.254 0.000) 6.943 53.107 ( -4.479 -4.197 0.000) 6.138 53.600 ( 1.469 0.663 0.000) 1.612 53.625 ( -0.871 0.369 0.000) 0.946 ======================= Grid point 30 (13/60) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 2.252 2.252 0.000) 3.184 0.789 ( -4.051 -4.051 0.000) 5.728 0.867 ( 2.475 2.475 0.000) 3.500 1.185 ( 3.205 3.205 0.000) 4.533 1.438 ( -10.208 -10.208 0.000) 14.436 1.750 ( -7.359 -7.359 0.000) 10.408 2.374 ( 3.488 3.488 0.000) 4.932 2.407 ( 6.452 6.452 0.000) 9.125 2.587 ( 0.018 0.018 0.000) 0.026 2.624 ( 0.265 0.265 0.000) 0.375 2.658 ( -0.243 -0.243 0.000) 0.343 2.664 ( -0.631 -0.631 0.000) 0.893 8.542 ( 1.501 1.501 0.000) 2.123 8.750 ( -3.657 -3.657 0.000) 5.172 8.877 ( 1.802 1.802 0.000) 2.548 9.057 ( -2.114 -2.114 0.000) 2.990 9.147 ( 6.062 6.062 0.000) 8.572 9.296 ( 1.747 1.747 0.000) 2.471 21.321 ( 1.302 1.302 0.000) 1.841 21.334 ( 1.524 1.524 0.000) 2.155 21.683 ( -1.802 -1.802 0.000) 2.549 21.783 ( -4.894 -4.894 0.000) 6.921 22.082 ( 4.601 4.601 0.000) 6.507 22.481 ( -7.225 -7.225 0.000) 10.218 23.708 ( 0.812 0.812 0.000) 1.149 23.791 ( -0.901 -0.901 0.000) 1.275 23.990 ( 1.005 1.005 0.000) 1.421 24.012 ( 0.000 0.000 0.000) 0.000 52.277 ( 2.305 2.305 0.000) 3.260 52.428 ( -0.532 -0.532 0.000) 0.753 52.661 ( 1.308 1.308 0.000) 1.850 52.885 ( -3.853 -3.853 0.000) 5.449 52.886 ( 3.240 3.240 0.000) 4.583 53.089 ( -2.438 -2.438 0.000) 3.448 53.591 ( 1.247 1.247 0.000) 1.764 53.638 ( -0.054 -0.054 0.000) 0.077 ======================= Grid point 31 (14/60) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 3.279 -0.453 0.000) 3.310 0.702 ( -4.079 -2.737 0.000) 4.913 0.992 ( 8.840 -5.491 0.000) 10.406 1.201 ( -10.245 -8.569 0.000) 13.356 1.323 ( 7.996 -6.155 0.000) 10.090 1.538 ( -11.491 -9.305 0.000) 14.786 2.471 ( 4.858 5.130 0.000) 7.065 2.523 ( 3.655 4.966 0.000) 6.166 2.563 ( -1.509 2.208 0.000) 2.674 2.607 ( -2.115 1.843 0.000) 2.805 2.654 ( -0.140 -0.547 0.000) 0.565 2.655 ( -0.228 -0.656 0.000) 0.694 8.588 ( 2.992 -1.976 0.000) 3.586 8.664 ( -4.159 -4.150 0.000) 5.875 8.924 ( 2.803 1.849 0.000) 3.358 8.991 ( -3.545 0.163 0.000) 3.548 9.263 ( 4.468 2.876 0.000) 5.313 9.316 ( -0.553 1.275 0.000) 1.390 21.354 ( 1.493 0.279 0.000) 1.519 21.364 ( 0.807 0.372 0.000) 0.889 21.640 ( -0.857 -1.561 0.000) 1.781 21.678 ( -4.288 -2.822 0.000) 5.133 22.211 ( 6.837 -2.258 0.000) 7.201 22.346 ( -6.261 -6.049 0.000) 8.706 23.732 ( 1.441 0.596 0.000) 1.560 23.764 ( -1.575 -0.121 0.000) 1.579 24.003 ( 0.364 0.989 0.000) 1.053 24.009 ( -0.242 0.612 0.000) 0.658 52.336 ( 3.172 1.742 0.000) 3.619 52.397 ( -2.425 0.923 0.000) 2.594 52.703 ( 3.035 -0.367 0.000) 3.058 52.787 ( -4.851 -1.760 0.000) 5.160 52.966 ( 3.987 0.024 0.000) 3.987 53.038 ( -2.903 -2.199 0.000) 3.641 53.616 ( 1.046 0.753 0.000) 1.289 53.632 ( -0.541 0.290 0.000) 0.614 ======================= Grid point 40 (15/60) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.677 0.677 0.000) 0.958 0.654 ( -1.857 -1.857 0.000) 2.627 0.941 ( 0.875 0.875 0.000) 1.238 1.027 ( -7.072 -7.072 0.000) 10.001 1.273 ( 1.056 1.056 0.000) 1.493 1.360 ( -7.076 -7.076 0.000) 10.007 2.554 ( 2.809 2.809 0.000) 3.973 2.584 ( -0.062 -0.062 0.000) 0.087 2.603 ( 2.503 2.503 0.000) 3.540 2.628 ( 0.050 0.050 0.000) 0.070 2.645 ( -0.244 -0.244 0.000) 0.344 2.646 ( -0.280 -0.280 0.000) 0.397 8.568 ( 0.114 0.114 0.000) 0.161 8.594 ( -2.407 -2.407 0.000) 3.404 8.949 ( 0.949 0.949 0.000) 1.343 8.973 ( -1.369 -1.369 0.000) 1.936 9.321 ( 2.190 2.190 0.000) 3.098 9.340 ( 0.434 0.434 0.000) 0.614 21.371 ( 0.997 0.997 0.000) 1.410 21.377 ( 0.521 0.521 0.000) 0.737 21.595 ( -1.586 -1.586 0.000) 2.242 21.610 ( -2.859 -2.859 0.000) 4.044 22.210 ( 1.542 1.542 0.000) 2.181 22.257 ( -3.013 -3.013 0.000) 4.262 23.744 ( 0.602 0.602 0.000) 0.852 23.756 ( -0.561 -0.561 0.000) 0.793 24.014 ( 0.240 0.240 0.000) 0.340 24.015 ( 0.101 0.101 0.000) 0.142 52.379 ( 2.060 2.060 0.000) 2.914 52.407 ( -0.352 -0.352 0.000) 0.498 52.695 ( 0.378 0.378 0.000) 0.534 52.731 ( -2.818 -2.818 0.000) 3.985 52.983 ( 1.253 1.253 0.000) 1.772 53.008 ( -1.158 -1.158 0.000) 1.638 53.629 ( 0.503 0.503 0.000) 0.711 53.635 ( -0.060 -0.060 0.000) 0.086 ======================= Grid point 81 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.067 ( -0.000 -0.000 3.725) 3.725 0.067 ( 0.000 0.000 3.725) 3.725 0.599 ( 0.000 0.000 30.929) 30.929 0.653 ( -0.000 -0.000 -2.316) 2.316 0.653 ( 0.000 0.000 -2.316) 2.316 1.404 ( -0.000 -0.000 14.640) 14.640 2.493 ( 0.000 -0.000 -0.640) 0.640 2.493 ( 0.000 0.000 -0.640) 0.640 2.541 ( 0.000 0.000 1.319) 1.319 2.541 ( 0.000 0.000 1.319) 1.319 2.626 ( -0.000 -0.000 -5.330) 5.330 3.136 ( 0.000 0.000 -6.307) 6.307 8.164 ( 0.000 0.000 6.001) 6.001 8.471 ( 0.000 0.000 5.518) 5.518 8.471 ( 0.000 0.000 5.518) 5.518 9.038 ( 0.000 0.000 -4.081) 4.081 9.042 ( 0.000 -0.000 -1.262) 1.262 9.042 ( 0.000 0.000 -1.262) 1.262 21.179 ( 0.000 -0.000 1.780) 1.780 21.179 ( -0.000 0.000 1.780) 1.780 21.455 ( 0.000 0.000 -0.926) 0.926 21.455 ( 0.000 0.000 -0.926) 0.926 22.202 ( -0.000 -0.000 6.688) 6.688 23.178 ( -0.000 -0.000 -4.557) 4.557 23.739 ( 0.000 0.000 0.229) 0.229 23.766 ( 0.000 0.000 -0.078) 0.078 23.838 ( -0.000 -0.000 1.848) 1.848 24.071 ( 0.000 0.000 -0.832) 0.832 52.241 ( 0.000 -0.000 0.241) 0.241 52.241 ( 0.000 0.000 0.241) 0.241 52.467 ( 0.000 0.000 0.196) 0.196 52.467 ( -0.000 -0.000 0.196) 0.196 53.038 ( 0.000 0.000 2.414) 2.414 53.422 ( 0.000 0.000 -2.602) 2.602 53.500 ( -0.000 -0.000 1.650) 1.650 53.624 ( 0.000 0.000 -0.399) 0.399 ======================= Grid point 82 (17/60) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 19.574 0.000 0.625) 19.584 0.482 ( 16.727 0.000 7.008) 18.136 0.672 ( 10.671 0.000 22.595) 24.988 0.767 ( 10.034 0.000 -1.993) 10.230 0.856 ( 16.684 0.000 -1.446) 16.746 1.370 ( -3.048 0.000 14.579) 14.894 2.466 ( -2.682 0.000 -0.679) 2.767 2.510 ( -2.982 0.000 1.303) 3.254 2.518 ( 0.209 0.000 -0.823) 0.849 2.586 ( 2.670 0.000 -5.344) 5.974 2.626 ( -0.033 0.000 -5.212) 5.212 3.056 ( -5.213 0.000 -0.835) 5.280 8.200 ( 3.372 0.000 4.096) 5.306 8.507 ( 3.421 0.000 6.637) 7.467 8.554 ( 7.737 0.000 5.001) 9.213 8.972 ( -3.644 0.000 -5.327) 6.454 9.090 ( 1.854 0.000 0.347) 1.886 9.100 ( 5.197 0.000 -1.170) 5.327 21.171 ( 0.553 0.000 0.864) 1.025 21.205 ( 2.469 0.000 1.688) 2.991 21.463 ( 0.775 0.000 -0.863) 1.160 21.542 ( 7.996 0.000 -2.165) 8.284 22.178 ( -2.785 0.000 8.625) 9.063 23.186 ( 0.090 0.000 -1.263) 1.267 23.733 ( -0.561 0.000 0.223) 0.604 23.758 ( -0.779 0.000 -0.059) 0.781 23.812 ( -0.738 0.000 0.056) 0.740 24.058 ( -1.239 0.000 -0.933) 1.551 52.251 ( 0.951 0.000 0.230) 0.979 52.334 ( 4.397 0.000 -7.595) 8.776 52.463 ( -0.351 0.000 0.188) 0.398 52.520 ( 5.276 0.000 -0.495) 5.299 53.019 ( -3.527 0.000 3.931) 5.281 53.379 ( -0.790 0.000 3.234) 3.329 53.496 ( 0.525 0.000 1.551) 1.637 53.626 ( 0.234 0.000 -0.350) 0.421 ======================= Grid point 83 (18/60) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 5.233 0.000 22.428) 23.030 0.815 ( 18.232 0.000 0.377) 18.236 1.019 ( 13.385 0.000 -1.496) 13.468 1.063 ( 20.765 0.000 4.154) 21.176 1.219 ( 10.952 0.000 2.017) 11.137 1.313 ( 4.261 0.000 11.291) 12.068 2.384 ( -5.175 0.000 -0.694) 5.222 2.421 ( -5.491 0.000 1.150) 5.611 2.505 ( -1.614 0.000 0.467) 1.680 2.611 ( -0.082 0.000 -6.947) 6.948 2.625 ( 0.128 0.000 -5.234) 5.235 2.942 ( -6.051 0.000 0.509) 6.073 8.294 ( 5.509 0.000 -0.394) 5.523 8.608 ( 6.227 0.000 9.027) 10.966 8.768 ( 12.281 0.000 3.990) 12.913 8.889 ( -4.375 0.000 -7.219) 8.442 9.113 ( 0.245 0.000 3.295) 3.304 9.230 ( 6.651 0.000 -0.920) 6.714 21.214 ( 3.460 0.000 -0.595) 3.511 21.275 ( 4.078 0.000 1.420) 4.318 21.483 ( 0.999 0.000 -0.675) 1.205 21.725 ( 6.987 0.000 -6.398) 9.474 22.131 ( 0.813 0.000 13.224) 13.249 23.165 ( -2.428 0.000 1.854) 3.055 23.717 ( -0.909 0.000 0.208) 0.932 23.736 ( -1.252 0.000 -0.007) 1.252 23.817 ( 0.972 0.000 -2.220) 2.424 24.023 ( -2.046 0.000 -1.144) 2.344 52.279 ( 1.686 0.000 0.202) 1.698 52.405 ( 3.194 0.000 -6.780) 7.495 52.452 ( -0.765 0.000 0.170) 0.784 52.666 ( 8.198 0.000 -1.681) 8.368 52.913 ( -5.549 0.000 5.231) 7.626 53.388 ( 0.194 0.000 3.306) 3.312 53.518 ( 1.527 0.000 1.131) 1.900 53.632 ( 0.205 0.000 -0.104) 0.230 ======================= Grid point 84 (19/60) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 5.539 0.000 20.858) 21.580 1.140 ( -5.972 0.000 13.854) 15.086 1.164 ( 15.243 0.000 0.298) 15.246 1.288 ( 11.872 0.000 -1.032) 11.917 1.488 ( 17.733 0.000 2.579) 17.919 1.641 ( 16.197 0.000 0.080) 16.197 2.259 ( -6.592 0.000 -0.459) 6.608 2.291 ( -6.810 0.000 0.636) 6.840 2.451 ( -3.290 0.000 0.871) 3.404 2.590 ( -2.069 0.000 -6.594) 6.911 2.632 ( 0.480 0.000 -5.178) 5.200 2.805 ( -6.964 0.000 0.664) 6.995 8.418 ( 6.316 0.000 -4.703) 7.875 8.752 ( 6.813 0.000 9.765) 11.906 8.793 ( -4.449 0.000 -7.521) 8.739 9.030 ( 12.278 0.000 2.687) 12.568 9.095 ( -2.047 0.000 6.021) 6.360 9.343 ( 3.581 0.000 -0.483) 3.613 21.308 ( 5.544 0.000 -0.980) 5.630 21.364 ( 4.288 0.000 1.012) 4.406 21.498 ( 0.291 0.000 -0.367) 0.469 21.730 ( -5.231 0.000 -4.756) 7.070 22.301 ( 13.990 0.000 10.930) 17.753 23.074 ( -6.593 0.000 3.788) 7.603 23.699 ( -0.823 0.000 0.188) 0.845 23.710 ( -1.194 0.000 0.063) 1.196 23.845 ( 1.703 0.000 -2.652) 3.152 23.977 ( -2.324 0.000 -1.504) 2.768 52.318 ( 2.060 0.000 0.170) 2.067 52.431 ( -1.249 0.000 0.150) 1.258 52.478 ( 3.978 0.000 -4.884) 6.299 52.763 ( -3.265 0.000 -0.636) 3.327 52.890 ( 7.645 0.000 3.239) 8.303 53.357 ( -3.332 0.000 2.898) 4.416 53.555 ( 1.906 0.000 0.883) 2.100 53.632 ( -0.252 0.000 0.127) 0.283 ======================= Grid point 85 (20/60) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 6.020 0.000 18.266) 19.232 1.009 ( -6.366 0.000 15.895) 17.122 1.420 ( 8.549 0.000 0.104) 8.549 1.469 ( 4.254 0.000 -0.452) 4.278 1.793 ( 10.907 0.000 1.765) 11.049 1.876 ( 4.411 0.000 0.461) 4.435 2.143 ( -3.321 0.000 -0.201) 3.327 2.162 ( -4.748 0.000 0.033) 4.748 2.409 ( 0.990 0.000 -0.280) 1.029 2.506 ( -6.126 0.000 -3.874) 7.248 2.647 ( 1.081 0.000 -4.228) 4.364 2.688 ( -3.524 0.000 -1.688) 3.908 8.550 ( 6.314 0.000 -7.270) 9.629 8.676 ( -5.837 0.000 -8.235) 10.094 8.906 ( 6.794 0.000 9.985) 12.077 9.026 ( -4.666 0.000 8.357) 9.571 9.248 ( 8.326 0.000 1.363) 8.437 9.359 ( -2.251 0.000 0.265) 2.267 21.438 ( 6.930 0.000 -1.223) 7.037 21.442 ( 3.139 0.000 0.527) 3.183 21.489 ( -1.298 0.000 0.046) 1.299 21.589 ( -7.477 0.000 -2.087) 7.763 22.613 ( 14.930 0.000 7.327) 16.632 22.889 ( -11.359 0.000 5.384) 12.570 23.687 ( -0.234 0.000 0.164) 0.286 23.691 ( -0.595 0.000 0.125) 0.608 23.885 ( 2.059 0.000 -2.397) 3.160 23.929 ( -2.257 0.000 -1.954) 2.985 52.361 ( 2.044 0.000 0.146) 2.050 52.400 ( -1.724 0.000 0.139) 1.730 52.568 ( 4.615 0.000 -2.677) 5.335 52.667 ( -4.938 0.000 -0.596) 4.974 53.080 ( 9.230 0.000 1.880) 9.420 53.250 ( -6.940 0.000 2.379) 7.336 53.592 ( 1.632 0.000 0.563) 1.726 53.619 ( -0.966 0.000 0.309) 1.014 ======================= Grid point 91 (21/60) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 8.534 8.534 1.622) 12.178 0.607 ( 3.643 3.643 23.627) 24.182 0.761 ( 6.157 6.157 -2.622) 9.094 0.903 ( 16.920 16.920 5.599) 24.575 1.061 ( 14.449 14.449 -1.837) 20.516 1.337 ( -2.773 -2.773 14.802) 15.313 2.435 ( -3.747 -3.747 0.086) 5.299 2.533 ( 0.605 0.605 -3.330) 3.439 2.545 ( 1.048 1.048 0.818) 1.693 2.573 ( 0.142 0.142 -5.198) 5.202 2.625 ( -0.047 -0.047 -5.127) 5.128 2.977 ( -5.850 -5.850 1.200) 8.360 8.239 ( 3.526 3.526 3.086) 5.864 8.549 ( 3.544 3.544 5.401) 7.368 8.614 ( 6.190 6.190 6.500) 10.904 8.967 ( -1.714 -1.714 -6.516) 6.952 9.093 ( 2.214 2.214 -1.011) 3.290 9.133 ( 2.137 2.137 1.857) 3.547 21.187 ( 1.220 1.220 0.755) 1.883 21.208 ( 1.285 1.285 1.695) 2.485 21.520 ( 2.807 2.807 -2.410) 4.644 21.570 ( 5.172 5.172 -1.321) 7.432 22.186 ( -0.903 -0.903 8.779) 8.871 23.106 ( -4.876 -4.876 1.751) 7.114 23.727 ( -0.592 -0.592 0.199) 0.860 23.793 ( 1.994 1.994 -3.084) 4.178 23.815 ( 0.060 0.060 0.471) 0.479 24.047 ( -0.986 -0.986 -1.045) 1.742 52.219 ( -0.677 -0.677 0.256) 0.992 52.377 ( 1.875 1.875 -6.137) 6.685 52.504 ( 1.671 1.671 0.003) 2.363 52.532 ( 3.290 3.290 -1.642) 4.933 53.059 ( 0.548 0.548 2.860) 2.963 53.325 ( -2.387 -2.387 5.012) 6.042 53.501 ( 0.670 0.670 1.146) 1.487 53.628 ( 0.157 0.157 -0.397) 0.455 ======================= Grid point 92 (22/60) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 8.320 -0.001 13.591) 15.935 0.720 ( 12.318 -3.045 11.765) 17.304 0.961 ( 12.334 -1.753 -1.913) 12.604 1.225 ( -2.628 -0.617 11.257) 11.576 1.286 ( 17.061 12.921 2.838) 21.590 1.408 ( 14.246 9.427 1.733) 17.170 2.337 ( -5.400 -4.285 0.381) 6.904 2.460 ( -6.045 3.506 -2.360) 7.376 2.544 ( -1.037 2.423 0.154) 2.640 2.600 ( 0.528 -0.934 -5.390) 5.496 2.624 ( -0.019 -0.104 -5.036) 5.037 2.862 ( -5.137 -6.748 1.569) 8.625 8.332 ( 5.201 3.355 -0.064) 6.189 8.645 ( 5.711 3.242 7.252) 9.783 8.798 ( 10.897 3.238 5.251) 12.522 8.901 ( -4.104 0.378 -7.624) 8.667 9.123 ( -0.028 1.574 3.045) 3.428 9.221 ( 5.837 -0.945 0.277) 5.919 21.226 ( 2.865 1.280 0.002) 3.138 21.265 ( 3.726 -0.534 1.549) 4.070 21.539 ( 0.230 5.112 -1.893) 5.456 21.748 ( 8.525 1.813 -4.559) 9.836 22.139 ( -1.516 0.126 12.230) 12.325 23.025 ( -3.553 -10.463 2.562) 11.342 23.711 ( -0.804 -0.521 0.163) 0.972 23.803 ( -1.299 2.751 0.432) 3.073 23.829 ( 1.656 2.400 -3.590) 4.625 24.020 ( -1.579 -0.302 -1.190) 2.001 52.234 ( 1.792 -2.386 0.215) 2.992 52.408 ( 1.228 0.220 -3.884) 4.079 52.508 ( 0.181 4.391 -1.161) 4.546 52.664 ( 7.912 0.025 -1.868) 8.130 52.986 ( -6.009 5.226 3.996) 8.910 53.326 ( 0.779 -5.254 3.812) 6.538 53.524 ( 1.447 0.584 0.917) 1.810 53.632 ( 0.188 0.065 -0.262) 0.329 ======================= Grid point 93 (23/60) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 5.023 0.411 20.593) 21.201 1.041 ( 14.806 -7.909 2.767) 17.013 1.119 ( -4.653 -2.484 13.402) 14.403 1.234 ( 12.646 -4.004 -0.945) 13.298 1.620 ( 13.504 9.147 1.234) 16.357 1.670 ( 8.953 1.186 0.642) 9.054 2.240 ( -2.816 -0.693 -0.074) 2.901 2.315 ( -7.198 1.838 -0.901) 7.484 2.497 ( -3.341 3.433 0.487) 4.815 2.586 ( -1.849 -0.135 -5.383) 5.693 2.628 ( 0.407 -0.317 -4.977) 5.004 2.758 ( -4.939 -3.878 0.683) 6.316 8.447 ( 5.806 2.453 -3.889) 7.406 8.775 ( 5.780 1.922 8.244) 10.250 8.805 ( -4.173 0.793 -7.020) 8.205 9.031 ( 9.789 0.724 3.398) 10.387 9.104 ( -0.798 0.917 5.976) 6.098 9.325 ( 3.490 -1.576 -0.136) 3.832 21.304 ( 4.438 -0.076 -0.369) 4.454 21.349 ( 4.117 -1.208 1.321) 4.489 21.539 ( -0.122 3.934 -1.295) 4.144 21.784 ( -4.775 4.316 -3.184) 7.181 22.252 ( 12.001 -4.566 10.249) 16.429 22.933 ( -5.822 -11.472 3.305) 13.282 23.698 ( -0.376 -0.029 0.176) 0.416 23.766 ( -2.066 3.228 0.354) 3.849 23.865 ( 1.825 2.230 -3.008) 4.165 23.984 ( -1.879 0.550 -1.434) 2.427 52.282 ( 2.691 -2.272 0.270) 3.532 52.417 ( -0.611 -0.478 -1.096) 1.343 52.534 ( 2.569 3.972 -2.703) 5.448 52.804 ( 0.371 2.377 -2.134) 3.216 52.895 ( 2.651 1.152 4.181) 5.083 53.309 ( -2.713 -4.406 2.961) 5.961 53.559 ( 1.835 0.406 0.744) 2.021 53.632 ( -0.217 0.071 -0.019) 0.229 ======================= Grid point 94 (24/60) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 5.511 -0.611 18.441) 19.257 0.992 ( -5.888 -1.557 16.221) 17.327 1.335 ( 11.372 -7.162 1.145) 13.488 1.436 ( 3.970 -3.095 -0.413) 5.051 1.748 ( 1.102 -9.783 0.938) 9.890 1.784 ( 1.077 -1.709 0.423) 2.064 2.221 ( 0.110 5.427 -0.026) 5.429 2.247 ( 0.753 7.163 -0.309) 7.209 2.437 ( -0.402 2.542 -0.191) 2.581 2.514 ( -5.190 0.932 -3.121) 6.127 2.641 ( 0.923 -0.524 -4.192) 4.324 2.675 ( -2.698 -1.185 -1.984) 3.553 8.569 ( 5.926 1.469 -6.598) 8.989 8.690 ( -5.681 0.844 -7.898) 9.766 8.913 ( 6.129 0.847 9.644) 11.458 9.023 ( -4.332 0.097 8.393) 9.446 9.244 ( 7.571 -0.314 1.582) 7.740 9.344 ( -1.942 -1.306 0.395) 2.374 21.392 ( 3.468 -1.934 -0.383) 3.989 21.417 ( 1.592 -2.183 0.535) 2.754 21.550 ( 2.192 4.345 -0.430) 4.886 21.651 ( -6.706 4.461 -0.382) 8.064 22.529 ( 13.338 -7.499 6.324) 16.557 22.772 ( -9.868 -10.001 4.490) 14.750 23.700 ( 0.642 1.027 0.245) 1.236 23.725 ( -1.723 2.364 0.320) 2.943 23.904 ( 1.926 1.821 -2.387) 3.567 23.944 ( -1.951 1.273 -1.845) 2.972 52.339 ( 2.646 -1.482 0.235) 3.042 52.388 ( -2.019 -0.744 -0.037) 2.152 52.609 ( 4.464 3.323 -1.981) 5.908 52.712 ( -5.375 3.652 -0.482) 6.517 53.055 ( 8.617 -2.255 1.724) 9.073 53.214 ( -6.395 -3.355 2.269) 7.569 53.595 ( 1.578 0.264 0.478) 1.669 53.621 ( -0.914 0.152 0.216) 0.951 ======================= Grid point 101 (25/60) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 5.811 5.811 1.850) 8.424 0.728 ( 2.702 2.702 23.602) 23.909 0.996 ( 5.215 5.215 -1.573) 7.541 1.156 ( -4.441 -4.441 14.276) 15.596 1.577 ( 13.147 13.147 0.867) 18.612 1.597 ( 6.884 6.884 0.875) 9.775 2.256 ( -2.484 -2.484 0.417) 3.537 2.458 ( -5.068 -5.068 -7.275) 10.212 2.581 ( 0.445 0.445 0.115) 0.640 2.597 ( 1.143 1.143 0.134) 1.622 2.621 ( -0.143 -0.143 -4.734) 4.739 2.730 ( -4.490 -4.490 0.958) 6.422 8.415 ( 4.235 4.235 -0.006) 5.990 8.726 ( 4.370 4.370 5.087) 8.004 8.876 ( -2.706 -2.706 -7.245) 8.193 8.911 ( 7.405 7.405 6.144) 12.142 9.183 ( -0.072 -0.072 4.961) 4.962 9.199 ( 2.672 2.672 -0.507) 3.813 21.268 ( 2.396 2.396 0.950) 3.519 21.271 ( 1.621 1.621 1.154) 2.567 21.631 ( 1.889 1.889 -3.370) 4.301 21.824 ( 6.437 6.437 -1.983) 9.317 22.106 ( -3.273 -3.273 11.745) 12.624 22.825 ( -8.121 -8.121 2.166) 11.687 23.700 ( -0.403 -0.403 0.126) 0.584 23.815 ( -0.205 -0.205 -0.280) 0.403 23.894 ( 2.332 2.332 -2.972) 4.439 24.010 ( -0.602 -0.602 -1.249) 1.511 52.217 ( 0.806 0.806 0.525) 1.254 52.416 ( 0.469 0.469 -2.627) 2.710 52.588 ( 2.184 2.184 0.031) 3.088 52.697 ( 4.282 4.282 -2.764) 6.657 53.040 ( -1.793 -1.793 3.220) 4.099 53.227 ( -2.686 -2.686 3.530) 5.185 53.543 ( 1.236 1.236 0.706) 1.885 53.635 ( 0.143 0.143 -0.303) 0.365 ======================= Grid point 102 (26/60) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 3.406 1.434 19.953) 20.292 0.905 ( 11.783 -4.417 4.073) 13.226 1.056 ( -4.781 -3.457 15.119) 16.229 1.164 ( 10.186 -2.075 -1.093) 10.453 1.631 ( -3.840 -5.426 2.038) 6.953 1.773 ( 3.858 3.921 -0.438) 5.518 2.278 ( 4.631 4.494 -0.523) 6.474 2.331 ( -4.115 0.021 -2.173) 4.653 2.563 ( -2.152 2.509 0.294) 3.319 2.598 ( -1.274 1.350 -1.934) 2.681 2.621 ( 0.176 -0.319 -4.671) 4.685 2.679 ( -1.516 -3.193 -0.836) 3.632 8.501 ( 4.193 2.436 -1.501) 5.076 8.780 ( -2.987 -1.967 -3.727) 5.165 8.842 ( 3.548 3.011 3.577) 5.870 9.079 ( 6.940 3.788 3.986) 8.854 9.133 ( -1.838 1.515 5.774) 6.246 9.288 ( 3.474 -1.416 0.140) 3.755 21.312 ( 2.663 0.860 0.791) 2.908 21.336 ( 3.401 0.350 1.677) 3.808 21.628 ( -1.004 3.488 -1.709) 4.012 21.879 ( -4.938 4.713 0.927) 6.889 22.128 ( 8.604 -6.926 7.480) 13.340 22.682 ( -6.364 -11.550 1.834) 13.314 23.700 ( 0.431 0.261 0.196) 0.540 23.798 ( -1.426 0.302 0.050) 1.458 23.927 ( 1.157 2.893 -2.621) 4.071 23.995 ( -0.921 0.425 -1.341) 1.681 52.258 ( 2.834 0.170 0.670) 2.918 52.417 ( -0.676 0.416 -1.112) 1.366 52.617 ( 1.736 3.599 -0.728) 4.061 52.823 ( 6.263 0.437 -2.176) 6.645 52.939 ( -5.464 1.577 3.300) 6.575 53.196 ( -1.902 -5.800 2.460) 6.581 53.573 ( 1.576 0.932 0.540) 1.909 53.635 ( -0.150 0.178 -0.136) 0.270 ======================= Grid point 103 (27/60) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 4.124 -0.530 18.858) 19.311 0.952 ( -4.659 -2.141 17.073) 17.826 1.168 ( 12.459 -8.274 2.626) 15.185 1.348 ( 1.405 -5.181 0.003) 5.368 1.525 ( 0.318 -11.277 1.381) 11.366 1.697 ( -9.361 -6.757 -1.048) 11.593 2.350 ( 4.629 6.515 0.166) 7.994 2.395 ( 4.063 6.736 -0.629) 7.891 2.502 ( -2.326 3.408 -0.034) 4.126 2.548 ( -3.616 2.320 -1.882) 4.690 2.628 ( 0.547 -0.684 -4.116) 4.208 2.647 ( -1.377 -1.322 -2.582) 3.211 8.591 ( 4.536 0.378 -3.584) 5.793 8.688 ( -4.817 -1.213 -5.154) 7.158 8.942 ( 5.023 1.728 7.261) 8.996 9.040 ( -4.417 1.303 7.108) 8.469 9.244 ( 5.822 0.607 1.834) 6.134 9.317 ( -1.039 -0.941 0.513) 1.493 21.368 ( 2.352 -0.359 0.807) 2.513 21.388 ( 0.946 -0.436 1.427) 1.767 21.632 ( 2.362 2.998 0.665) 3.874 21.735 ( -6.993 3.103 2.629) 8.090 22.344 ( 10.528 -9.252 3.387) 14.419 22.537 ( -8.043 -11.443 2.250) 14.167 23.720 ( 1.543 0.838 0.293) 1.781 23.760 ( -2.099 0.884 0.270) 2.294 23.950 ( 1.118 2.257 -2.094) 3.275 23.973 ( -1.116 1.370 -1.622) 2.399 52.323 ( 3.244 0.220 0.602) 3.306 52.384 ( -2.453 0.481 0.117) 2.502 52.679 ( 4.201 2.878 -0.699) 5.140 52.785 ( -5.812 2.722 0.122) 6.419 52.997 ( 6.923 -2.937 0.941) 7.579 53.125 ( -5.017 -4.786 1.603) 7.116 53.604 ( 1.363 0.605 0.335) 1.529 53.626 ( -0.758 0.339 0.099) 0.836 ======================= Grid point 111 (28/60) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 1.767 1.767 21.896) 22.038 0.882 ( 2.987 2.987 2.424) 4.870 0.982 ( -3.549 -3.549 16.556) 17.300 1.173 ( 3.227 3.227 -1.264) 4.735 1.464 ( -9.949 -9.949 2.982) 14.383 1.732 ( -7.480 -7.480 -1.707) 10.716 2.370 ( 4.201 4.201 -0.417) 5.956 2.399 ( 6.408 6.408 -0.799) 9.097 2.590 ( -0.011 -0.011 0.291) 0.291 2.613 ( -0.196 -0.196 -3.751) 3.762 2.627 ( 0.279 0.279 -0.688) 0.793 2.632 ( -1.130 -1.130 -3.482) 3.831 8.545 ( 1.896 1.896 0.272) 2.696 8.720 ( -3.476 -3.476 -2.965) 5.741 8.906 ( 3.026 3.026 3.787) 5.714 9.122 ( -2.562 -2.562 5.653) 6.715 9.178 ( 5.201 5.201 3.048) 7.962 9.296 ( 1.812 1.812 -0.097) 2.565 21.337 ( 1.630 1.630 1.561) 2.784 21.366 ( 2.178 2.178 2.922) 4.246 21.654 ( -0.576 -0.576 -0.518) 0.965 21.910 ( -5.940 -5.940 10.476) 13.428 22.057 ( 4.474 4.474 -2.631) 6.852 22.482 ( -7.857 -7.857 0.151) 11.113 23.711 ( 0.843 0.843 0.271) 1.223 23.791 ( -0.845 -0.845 0.029) 1.195 23.969 ( 1.236 1.236 -2.136) 2.760 23.999 ( -0.023 -0.023 -1.328) 1.328 52.287 ( 2.451 2.451 1.038) 3.619 52.425 ( 0.013 0.013 -0.342) 0.343 52.668 ( 1.521 1.521 0.690) 2.259 52.863 ( 3.514 3.514 -2.133) 5.408 52.913 ( -4.042 -4.042 2.809) 6.369 53.102 ( -3.140 -3.140 1.095) 4.574 53.595 ( 1.185 1.185 0.392) 1.722 53.638 ( 0.010 0.010 -0.064) 0.065 ======================= Grid point 112 (29/60) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.075 0.353 19.584) 19.697 0.910 ( -2.947 -1.755 18.185) 18.506 1.019 ( 8.973 -5.578 3.474) 11.122 1.224 ( -8.631 -7.388 2.382) 11.608 1.318 ( 6.374 -7.147 -0.181) 9.578 1.524 ( -11.228 -9.275 -1.394) 14.630 2.473 ( 4.943 5.144 0.221) 7.138 2.517 ( 4.128 4.925 -0.831) 6.479 2.564 ( -2.058 2.242 0.083) 3.044 2.595 ( -1.960 1.695 -2.070) 3.316 2.615 ( 0.141 -0.496 -3.954) 3.988 2.626 ( -0.733 -0.547 -2.296) 2.472 8.588 ( 2.440 -0.405 0.058) 2.474 8.648 ( -3.317 -2.320 -1.304) 4.253 8.972 ( 3.488 1.018 4.738) 5.971 9.050 ( -3.924 -0.778 5.383) 6.706 9.277 ( 3.759 2.442 1.312) 4.671 9.319 ( -0.254 1.113 0.269) 1.173 21.378 ( 2.041 1.285 2.420) 3.417 21.400 ( 0.422 1.527 3.463) 3.808 21.653 ( 1.879 -1.041 2.262) 3.119 21.752 ( -7.183 -1.991 6.276) 9.744 22.197 ( 7.259 -3.945 -1.213) 8.350 22.339 ( -6.537 -7.261 -0.675) 9.793 23.735 ( 1.428 0.602 0.302) 1.579 23.766 ( -1.503 -0.116 0.202) 1.521 23.986 ( 0.546 1.139 -1.737) 2.148 23.995 ( -0.346 0.666 -1.451) 1.633 52.348 ( 3.153 2.047 1.174) 3.938 52.405 ( -2.049 1.342 0.752) 2.562 52.711 ( 3.256 0.203 0.865) 3.375 52.803 ( -5.370 -1.231 1.593) 5.735 52.955 ( 4.574 -0.665 -0.895) 4.708 53.040 ( -3.443 -2.982 0.072) 4.556 53.618 ( 0.979 0.730 0.256) 1.248 53.633 ( -0.463 0.312 0.097) 0.566 ======================= Grid point 121 (30/60) ======================= q-point: ( 0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.661 0.661 21.519) 21.539 0.884 ( -0.801 -0.801 19.530) 19.563 0.963 ( 0.876 0.876 2.233) 2.553 1.056 ( -7.341 -7.341 3.704) 11.023 1.260 ( 1.045 1.045 -1.286) 1.959 1.348 ( -7.005 -7.005 -1.301) 9.992 2.556 ( 2.807 2.807 0.225) 3.976 2.587 ( -0.072 -0.072 0.217) 0.240 2.591 ( 1.827 1.827 -2.591) 3.659 2.604 ( -0.311 -0.311 -4.350) 4.372 2.611 ( 0.605 0.605 -2.034) 2.207 2.628 ( -0.097 -0.097 -0.340) 0.367 8.585 ( 0.343 0.343 1.693) 1.761 8.605 ( -1.595 -1.595 1.118) 2.518 8.990 ( 0.998 0.998 4.179) 4.411 9.019 ( -1.738 -1.738 4.513) 5.139 9.326 ( 1.848 1.848 0.388) 2.642 9.341 ( 0.435 0.435 0.030) 0.616 21.417 ( 2.169 2.169 4.519) 5.461 21.436 ( 1.016 1.016 5.735) 5.912 21.620 ( -0.664 -0.664 3.029) 3.171 21.669 ( -4.697 -4.697 5.692) 8.748 22.181 ( 1.492 1.492 -3.039) 3.700 22.233 ( -3.480 -3.480 -2.518) 5.528 23.747 ( 0.594 0.594 0.302) 0.893 23.759 ( -0.530 -0.530 0.254) 0.791 24.000 ( 0.328 0.328 -1.491) 1.561 24.002 ( 0.091 0.091 -1.394) 1.400 52.397 ( 2.248 2.248 1.726) 3.617 52.423 ( -0.050 -0.050 1.616) 1.617 52.709 ( 0.500 0.500 1.462) 1.624 52.749 ( -3.056 -3.056 1.873) 4.710 52.968 ( 1.360 1.360 -1.539) 2.463 52.998 ( -1.512 -1.512 -1.080) 2.396 53.631 ( 0.484 0.484 0.217) 0.717 53.637 ( -0.029 -0.029 0.161) 0.166 ======================= Grid point 162 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.140 ( 0.000 0.000 3.810) 3.810 0.140 ( 0.000 0.000 3.810) 3.810 0.596 ( -0.000 -0.000 -3.432) 3.432 0.596 ( -0.000 -0.000 -3.432) 3.432 1.155 ( 0.000 0.000 27.616) 27.616 1.731 ( -0.000 -0.000 17.499) 17.499 2.484 ( 0.000 0.000 -0.323) 0.323 2.484 ( 0.000 0.000 -0.323) 0.323 2.490 ( 0.000 0.000 -8.092) 8.092 2.565 ( 0.000 -0.000 1.139) 1.139 2.565 ( 0.000 0.000 1.139) 1.139 2.961 ( 0.000 0.000 -11.989) 11.989 8.321 ( -0.000 -0.000 10.211) 10.211 8.609 ( 0.000 0.000 8.562) 8.562 8.609 ( 0.000 0.000 8.562) 8.562 8.924 ( 0.000 0.000 -7.829) 7.829 9.000 ( 0.000 -0.000 -3.300) 3.300 9.000 ( 0.000 0.000 -3.300) 3.300 21.224 ( 0.000 0.000 2.816) 2.816 21.224 ( 0.000 0.000 2.816) 2.816 21.429 ( 0.000 0.000 -1.749) 1.749 21.429 ( 0.000 0.000 -1.749) 1.749 22.377 ( 0.000 0.000 11.403) 11.403 23.052 ( 0.000 0.000 -8.752) 8.752 23.745 ( 0.000 0.000 0.373) 0.373 23.764 ( 0.000 0.000 -0.185) 0.185 23.885 ( 0.000 0.000 3.042) 3.042 24.047 ( -0.000 -0.000 -1.776) 1.776 52.246 ( -0.000 0.000 0.301) 0.301 52.246 ( 0.000 0.000 0.301) 0.301 52.471 ( 0.000 0.000 0.244) 0.244 52.471 ( -0.000 -0.000 0.244) 0.244 53.102 ( 0.000 0.000 4.190) 4.190 53.362 ( -0.000 -0.000 -3.735) 3.735 53.532 ( 0.000 0.000 1.716) 1.716 53.612 ( -0.000 -0.000 -0.843) 0.843 ======================= Grid point 163 (32/60) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 18.850 0.000 1.284) 18.893 0.534 ( 22.930 0.000 1.793) 23.000 0.718 ( 10.659 0.000 -2.900) 11.047 0.806 ( 17.058 0.000 -2.550) 17.248 1.184 ( 2.956 0.000 26.556) 26.720 1.696 ( -3.125 0.000 17.539) 17.815 2.456 ( -2.722 0.000 -0.343) 2.743 2.483 ( -0.223 0.000 -6.639) 6.643 2.487 ( -0.166 0.000 -3.555) 3.559 2.534 ( -3.060 0.000 1.096) 3.250 2.564 ( -0.313 0.000 0.383) 0.495 2.947 ( -1.574 0.000 -9.550) 9.679 8.315 ( -0.216 0.000 7.902) 7.904 8.666 ( 5.091 0.000 9.531) 10.806 8.684 ( 6.966 0.000 8.213) 10.770 8.847 ( -4.970 0.000 -7.796) 9.246 9.061 ( 5.438 0.000 -3.122) 6.270 9.070 ( 4.218 0.000 -2.510) 4.908 21.204 ( -1.061 0.000 2.281) 2.516 21.248 ( 2.243 0.000 2.670) 3.488 21.439 ( 0.938 0.000 -1.640) 1.889 21.494 ( 5.898 0.000 -2.630) 6.458 22.385 ( 0.177 0.000 12.691) 12.692 23.096 ( 3.596 0.000 -7.860) 8.643 23.739 ( -0.580 0.000 0.357) 0.681 23.756 ( -0.732 0.000 -0.152) 0.747 23.844 ( -2.998 0.000 3.030) 4.263 24.030 ( -1.493 0.000 -2.022) 2.514 52.252 ( 0.966 0.000 -2.032) 2.250 52.256 ( 0.928 0.000 0.287) 0.971 52.468 ( -0.366 0.000 0.235) 0.435 52.517 ( 4.335 0.000 -0.057) 4.335 53.097 ( -2.188 0.000 4.376) 4.892 53.380 ( 2.211 0.000 -1.971) 2.962 53.533 ( 0.268 0.000 1.954) 1.972 53.616 ( 0.411 0.000 -0.794) 0.894 ======================= Grid point 164 (33/60) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 18.086 0.000 0.811) 18.104 0.949 ( 15.302 0.000 7.082) 16.862 0.983 ( 13.922 0.000 -2.175) 14.091 1.179 ( 16.793 0.000 0.065) 16.794 1.310 ( 10.749 0.000 17.940) 20.913 1.622 ( -3.113 0.000 17.640) 17.912 2.374 ( -5.147 0.000 -0.370) 5.160 2.441 ( -5.763 0.000 0.925) 5.837 2.476 ( -0.800 0.000 -4.697) 4.765 2.482 ( 0.063 0.000 -8.885) 8.885 2.545 ( -1.639 0.000 0.630) 1.756 2.887 ( -4.397 0.000 -6.070) 7.495 8.325 ( 1.287 0.000 3.659) 3.878 8.741 ( -4.940 0.000 -8.149) 9.530 8.799 ( 7.078 0.000 10.287) 12.486 8.875 ( 10.810 0.000 6.906) 12.827 9.146 ( 2.874 0.000 0.047) 2.875 9.198 ( 7.120 0.000 -2.603) 7.581 21.213 ( 2.237 0.000 0.548) 2.303 21.311 ( 3.649 0.000 2.244) 4.284 21.464 ( 1.321 0.000 -1.313) 1.863 21.621 ( 4.650 0.000 -4.577) 6.525 22.402 ( 2.907 0.000 14.839) 15.121 23.160 ( 1.717 0.000 -3.284) 3.706 23.722 ( -0.939 0.000 0.315) 0.990 23.736 ( -1.171 0.000 -0.064) 1.173 23.796 ( -1.297 0.000 0.702) 1.475 23.989 ( -2.444 0.000 -2.499) 3.496 52.283 ( 1.650 0.000 0.252) 1.669 52.298 ( 3.498 0.000 -4.064) 5.362 52.456 ( -0.788 0.000 0.212) 0.816 52.638 ( 6.695 0.000 -1.255) 6.811 53.011 ( -4.799 0.000 4.799) 6.787 53.425 ( 1.088 0.000 0.615) 1.249 53.548 ( 1.164 0.000 1.765) 2.114 53.628 ( 0.661 0.000 -0.267) 0.713 ======================= Grid point 165 (34/60) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.879 0.000 17.208) 18.185 1.173 ( 15.113 0.000 0.658) 15.127 1.262 ( 12.439 0.000 -1.557) 12.536 1.396 ( 0.810 0.000 9.183) 9.218 1.587 ( 14.301 0.000 8.820) 16.802 1.686 ( 11.535 0.000 6.945) 13.464 2.251 ( -6.412 0.000 -0.327) 6.420 2.303 ( -7.352 0.000 0.543) 7.373 2.450 ( -1.777 0.000 -5.282) 5.573 2.475 ( -2.252 0.000 -4.359) 4.907 2.507 ( -0.365 0.000 -4.568) 4.582 2.768 ( -6.821 0.000 -4.287) 8.056 8.370 ( 2.989 0.000 -0.437) 3.020 8.638 ( -4.975 0.000 -7.712) 9.177 8.950 ( 7.062 0.000 9.691) 11.991 9.102 ( 10.484 0.000 4.723) 11.499 9.182 ( 0.446 0.000 2.886) 2.920 9.324 ( 4.420 0.000 -1.625) 4.709 21.291 ( 5.051 0.000 -0.659) 5.093 21.389 ( 3.712 0.000 1.580) 4.035 21.487 ( 0.762 0.000 -0.774) 1.086 21.640 ( -2.660 0.000 -4.244) 5.009 22.543 ( 10.444 0.000 13.597) 17.145 23.144 ( -3.475 0.000 2.554) 4.312 23.703 ( -0.856 0.000 0.263) 0.895 23.711 ( -1.108 0.000 0.050) 1.109 23.793 ( 0.846 0.000 -2.134) 2.296 23.933 ( -2.840 0.000 -3.147) 4.239 52.322 ( 2.027 0.000 0.212) 2.038 52.392 ( 5.466 0.000 -3.768) 6.639 52.435 ( -1.268 0.000 0.187) 1.282 52.727 ( -0.436 0.000 -2.307) 2.347 52.977 ( 3.734 0.000 4.804) 6.084 53.406 ( -3.106 0.000 1.848) 3.614 53.576 ( 1.444 0.000 1.206) 1.882 53.636 ( -0.058 0.000 0.240) 0.247 ======================= Grid point 166 (35/60) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 4.386 0.000 18.265) 18.784 1.337 ( -4.149 0.000 16.263) 16.784 1.424 ( 8.071 0.000 0.275) 8.075 1.457 ( 5.071 0.000 -0.700) 5.119 1.853 ( 9.501 0.000 5.012) 10.742 1.902 ( 5.721 0.000 2.818) 6.377 2.139 ( -3.202 0.000 -0.222) 3.210 2.162 ( -5.186 0.000 0.013) 5.186 2.399 ( -1.984 0.000 -1.460) 2.463 2.415 ( -2.563 0.000 -5.310) 5.896 2.535 ( 2.627 0.000 -7.035) 7.510 2.626 ( -6.227 0.000 -4.786) 7.854 8.444 ( 4.155 0.000 -3.796) 5.628 8.537 ( -4.742 0.000 -6.231) 7.830 9.079 ( 5.278 0.000 7.957) 9.549 9.161 ( -2.515 0.000 5.598) 6.137 9.283 ( 6.620 0.000 2.238) 6.988 9.363 ( -0.928 0.000 0.005) 0.928 21.411 ( 6.326 0.000 -1.422) 6.484 21.455 ( 2.509 0.000 0.770) 2.625 21.489 ( -0.713 0.000 -0.055) 0.715 21.542 ( -6.047 0.000 -2.520) 6.551 22.789 ( 12.231 0.000 10.348) 16.021 23.014 ( -8.968 0.000 7.003) 11.378 23.691 ( -0.272 0.000 0.212) 0.345 23.693 ( -0.533 0.000 0.148) 0.553 23.825 ( 2.115 0.000 -3.527) 4.113 23.875 ( -2.676 0.000 -3.646) 4.522 52.364 ( 2.027 0.000 0.182) 2.035 52.404 ( -1.727 0.000 0.174) 1.736 52.516 ( 6.293 0.000 -2.516) 6.777 52.644 ( -5.832 0.000 -1.574) 6.041 53.129 ( 8.854 0.000 2.909) 9.320 53.299 ( -7.059 0.000 2.421) 7.462 53.605 ( 1.278 0.000 0.678) 1.447 53.626 ( -0.778 0.000 0.375) 0.863 ======================= Grid point 172 (36/60) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 8.441 8.441 3.153) 12.347 0.688 ( 7.833 7.833 -4.104) 11.813 0.850 ( 13.884 13.884 3.972) 20.032 1.017 ( 14.967 14.967 -2.769) 21.347 1.220 ( 4.067 4.067 24.307) 24.978 1.665 ( -2.724 -2.724 17.642) 18.057 2.438 ( -2.863 -2.863 -0.596) 4.093 2.440 ( -2.097 -2.097 -3.788) 4.811 2.486 ( -0.090 -0.090 -7.404) 7.405 2.556 ( 0.417 0.417 -0.051) 0.592 2.570 ( 0.577 0.577 1.132) 1.396 2.905 ( -3.565 -3.565 -8.001) 9.457 8.330 ( 1.239 1.239 6.519) 6.751 8.683 ( 3.330 3.330 8.077) 9.349 8.772 ( 6.518 6.518 9.484) 13.225 8.827 ( -2.445 -2.445 -8.061) 8.771 9.058 ( 2.497 2.497 -2.886) 4.561 9.139 ( 3.928 3.928 -1.375) 5.723 21.214 ( 0.488 0.488 1.923) 2.043 21.248 ( 0.887 0.887 2.149) 2.488 21.475 ( 2.344 2.344 -2.035) 3.889 21.536 ( 4.790 4.790 -2.233) 7.133 22.402 ( 0.617 0.617 13.298) 13.326 23.075 ( -1.492 -1.492 -5.479) 5.871 23.732 ( -0.653 -0.653 0.299) 0.971 23.750 ( -0.155 -0.155 -1.079) 1.101 23.841 ( -0.518 -0.518 2.224) 2.341 24.016 ( -1.194 -1.194 -2.222) 2.790 52.226 ( -0.588 -0.588 0.405) 0.925 52.287 ( 1.589 1.589 -3.114) 3.840 52.505 ( 1.607 1.607 0.182) 2.280 52.521 ( 2.347 2.347 -0.187) 3.324 53.132 ( 0.846 0.846 4.630) 4.782 53.358 ( -0.770 -0.770 -1.004) 1.482 53.533 ( 0.274 0.274 1.932) 1.971 53.616 ( 0.173 0.173 -0.837) 0.872 ======================= Grid point 173 (37/60) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 15.737 -3.540 2.619) 16.342 0.912 ( 13.187 -1.669 -3.139) 13.658 1.090 ( 7.671 5.748 14.469) 17.356 1.319 ( 12.036 9.149 -0.253) 15.121 1.396 ( 13.010 8.466 11.466) 19.298 1.612 ( -0.770 -0.214 16.856) 16.875 2.346 ( -5.399 -2.923 0.202) 6.143 2.388 ( -3.625 -2.786 -4.093) 6.136 2.485 ( 0.126 0.121 -8.709) 8.711 2.543 ( -2.247 3.932 -0.392) 4.546 2.560 ( -1.191 1.273 -0.196) 1.754 2.823 ( -4.195 -5.656 -5.327) 8.830 8.361 ( 1.746 3.119 3.236) 4.822 8.749 ( -4.036 0.292 -8.049) 9.008 8.802 ( 6.901 0.885 8.468) 10.960 8.933 ( 8.739 4.882 8.300) 13.004 9.138 ( 3.927 0.324 -1.340) 4.162 9.225 ( 4.568 1.729 -0.286) 4.893 21.233 ( 2.055 1.876 0.688) 2.866 21.297 ( 3.355 -1.044 1.577) 3.851 21.505 ( 0.955 4.331 -1.241) 4.606 21.671 ( 6.184 3.889 -3.620) 8.152 22.401 ( 0.456 -0.506 14.661) 14.677 23.048 ( -1.373 -9.123 -1.167) 9.299 23.715 ( -0.823 -0.610 0.228) 1.050 23.760 ( 1.122 1.542 -2.945) 3.509 23.819 ( -1.571 1.969 1.404) 2.884 23.985 ( -1.799 -0.336 -2.485) 3.086 52.240 ( 1.836 -1.784 0.371) 2.587 52.327 ( 2.446 1.207 -3.773) 4.655 52.500 ( -0.584 4.125 0.008) 4.166 52.638 ( 7.110 -0.078 -0.958) 7.174 53.070 ( -5.572 4.461 4.501) 8.438 53.376 ( 1.094 -4.614 1.164) 4.883 53.548 ( 1.168 0.218 1.589) 1.985 53.624 ( 0.506 -0.181 -0.585) 0.794 ======================= Grid point 174 (38/60) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 13.540 -6.403 4.311) 15.586 1.195 ( 13.008 -4.512 -1.447) 13.845 1.214 ( 6.207 1.237 16.519) 17.690 1.402 ( -2.353 -0.677 11.674) 11.928 1.672 ( 11.867 6.491 5.095) 14.454 1.719 ( 7.952 2.125 6.188) 10.298 2.238 ( -3.921 -0.677 -0.135) 3.981 2.288 ( -5.373 -0.919 -1.828) 5.749 2.486 ( -2.673 2.871 -4.533) 5.995 2.490 ( -0.159 0.631 -7.954) 7.981 2.519 ( -2.312 1.748 -0.322) 2.916 2.726 ( -5.316 -3.693 -3.789) 7.501 8.407 ( 2.740 3.303 -0.296) 4.302 8.654 ( -4.699 1.270 -7.361) 8.825 8.956 ( 7.148 0.395 8.918) 11.436 9.115 ( 8.022 1.649 5.175) 9.688 9.190 ( 1.406 0.759 2.683) 3.123 9.318 ( 3.666 -0.643 -0.735) 3.794 21.301 ( 4.247 1.050 0.020) 4.375 21.371 ( 3.515 -1.436 0.897) 3.902 21.520 ( 0.571 3.954 -0.449) 4.021 21.721 ( -1.775 6.148 -3.273) 7.187 22.482 ( 7.789 -5.679 12.986) 16.173 22.998 ( -3.853 -12.107 2.770) 13.004 23.703 ( -0.282 -0.004 0.314) 0.422 23.777 ( -1.765 4.285 0.498) 4.661 23.797 ( 1.675 0.818 -3.285) 3.777 23.942 ( -2.283 0.771 -2.883) 3.757 52.290 ( 2.741 -1.825 0.543) 3.338 52.381 ( 2.059 -0.352 -2.487) 3.247 52.499 ( 1.147 4.748 -0.911) 4.968 52.760 ( 2.000 2.159 -2.157) 3.648 52.986 ( 0.245 1.008 4.670) 4.784 53.361 ( -2.826 -4.314 2.097) 5.567 53.577 ( 1.477 0.172 1.111) 1.856 53.631 ( 0.076 -0.240 -0.125) 0.281 ======================= Grid point 175 (39/60) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 5.448 -2.202 15.161) 16.260 1.320 ( -3.652 -1.568 15.697) 16.192 1.379 ( 8.183 -3.616 4.763) 10.135 1.423 ( 5.777 -3.103 -0.902) 6.620 1.793 ( 0.131 -8.293 4.531) 9.451 1.811 ( 0.531 -4.057 3.114) 5.141 2.221 ( 1.512 5.962 0.106) 6.152 2.238 ( 1.239 6.315 -0.638) 6.467 2.428 ( -2.850 2.522 -2.004) 4.301 2.435 ( -2.772 1.884 -4.683) 5.759 2.531 ( 2.372 -0.319 -6.660) 7.077 2.611 ( -5.283 -1.219 -4.451) 7.015 8.474 ( 3.754 2.633 -3.362) 5.686 8.559 ( -4.426 1.894 -5.738) 7.490 9.083 ( 5.042 0.258 7.880) 9.358 9.159 ( -2.115 0.029 5.617) 6.002 9.283 ( 5.544 -0.002 2.397) 6.040 9.351 ( -0.779 -1.047 0.230) 1.325 21.389 ( 3.607 -0.743 0.010) 3.683 21.423 ( 0.744 -1.792 0.097) 1.943 21.544 ( 2.563 4.974 -0.097) 5.596 21.634 ( -5.346 6.225 -1.277) 8.305 22.684 ( 10.492 -9.438 9.163) 16.826 22.878 ( -7.826 -11.676 5.979) 15.275 23.707 ( 0.805 1.239 0.578) 1.586 23.735 ( -1.840 2.675 0.860) 3.359 23.842 ( 2.408 1.876 -3.855) 4.917 23.893 ( -2.465 1.570 -3.429) 4.505 52.345 ( 2.433 -1.201 0.363) 2.738 52.386 ( -1.315 -0.878 -0.221) 1.596 52.571 ( 5.402 4.279 -1.805) 7.124 52.694 ( -5.876 4.068 -1.270) 7.258 53.101 ( 8.156 -2.595 2.766) 8.995 53.261 ( -6.666 -3.607 2.359) 7.938 53.606 ( 1.228 0.119 0.603) 1.373 53.625 ( -0.640 -0.038 0.206) 0.674 ======================= Grid point 182 (40/60) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 5.981 5.981 3.155) 9.028 0.951 ( 5.525 5.525 -2.849) 8.317 1.172 ( 2.967 2.967 20.637) 21.060 1.417 ( -0.481 -0.481 8.970) 8.996 1.618 ( 11.042 11.042 4.417) 16.229 1.669 ( 5.290 5.290 9.099) 11.780 2.270 ( -3.343 -3.343 1.012) 4.835 2.330 ( -3.085 -3.085 -5.952) 7.380 2.487 ( 0.126 0.126 -8.732) 8.733 2.579 ( 0.293 0.293 -0.667) 0.785 2.604 ( 0.786 0.786 0.331) 1.160 2.693 ( -5.346 -5.346 -4.652) 8.877 8.431 ( 3.183 3.183 1.982) 4.919 8.733 ( -2.037 -2.037 -7.431) 7.970 8.854 ( 4.323 4.323 7.712) 9.841 9.052 ( 6.201 6.201 7.975) 11.854 9.177 ( 2.986 2.986 -2.056) 4.697 9.255 ( 1.249 1.249 2.317) 2.913 21.286 ( 2.784 2.784 0.882) 4.035 21.294 ( 1.459 1.459 0.973) 2.282 21.596 ( 2.921 2.921 -0.050) 4.131 21.772 ( 5.964 5.964 -3.460) 9.116 22.363 ( -3.143 -3.143 14.585) 15.247 22.857 ( -8.111 -8.111 0.392) 11.477 23.704 ( -0.341 -0.341 0.232) 0.535 23.787 ( 1.046 1.046 -3.000) 3.345 23.854 ( 1.083 1.083 -0.243) 1.551 23.975 ( -0.625 -0.625 -2.439) 2.594 52.232 ( 1.089 1.089 1.029) 1.852 52.355 ( 1.555 1.555 -3.472) 4.109 52.593 ( 2.427 2.427 0.504) 3.470 52.655 ( 3.908 3.908 -1.623) 5.761 53.119 ( -1.861 -1.861 4.752) 5.433 53.277 ( -3.127 -3.127 1.196) 4.581 53.561 ( 0.986 0.986 1.201) 1.840 53.625 ( 0.254 0.254 -0.679) 0.768 ======================= Grid point 183 (41/60) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 10.834 -2.843 3.328) 11.685 1.122 ( 10.239 -1.890 -2.132) 10.628 1.233 ( 3.268 0.895 20.522) 20.800 1.364 ( -3.574 -2.744 13.718) 14.440 1.712 ( -2.706 -3.570 7.737) 8.940 1.773 ( 1.975 1.438 1.191) 2.718 2.264 ( 3.364 3.702 -0.991) 5.099 2.285 ( 0.288 1.379 -2.508) 2.877 2.493 ( 0.546 -0.007 -8.516) 8.534 2.540 ( -3.605 1.365 -4.941) 6.266 2.571 ( -2.159 2.588 0.425) 3.397 2.645 ( -1.563 -3.153 -2.059) 4.077 8.487 ( 2.395 3.943 0.200) 4.618 8.673 ( -3.456 0.183 -5.723) 6.688 8.968 ( 6.088 1.123 7.506) 9.730 9.174 ( 4.783 3.592 5.447) 8.090 9.216 ( 0.619 1.894 1.960) 2.795 9.295 ( 2.575 -1.556 0.890) 3.137 21.333 ( 2.824 1.777 1.199) 3.545 21.364 ( 3.663 1.327 1.067) 4.039 21.622 ( 0.396 4.746 1.132) 4.895 21.855 ( -0.212 6.637 -2.853) 7.227 22.326 ( 1.777 -8.998 12.045) 15.139 22.721 ( -5.706 -13.399 1.737) 14.666 23.706 ( 0.624 0.389 0.508) 0.894 23.796 ( -0.481 0.050 -0.688) 0.841 23.870 ( 0.888 3.335 -2.567) 4.302 23.958 ( -1.121 0.560 -2.521) 2.816 52.276 ( 2.873 0.675 1.233) 3.198 52.386 ( 1.142 0.909 -2.039) 2.508 52.607 ( 0.959 5.343 -0.229) 5.433 52.784 ( 5.976 0.420 -1.711) 6.230 53.013 ( -5.460 0.885 4.042) 6.851 53.239 ( -2.261 -6.833 1.756) 7.408 53.586 ( 1.323 0.720 0.848) 1.728 53.630 ( 0.131 0.156 -0.388) 0.438 ======================= Grid point 184 (42/60) ======================= q-point: ( 0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 8.767 -4.993 6.891) 12.218 1.276 ( -3.456 -2.647 13.894) 14.560 1.311 ( 4.933 -2.680 12.515) 13.717 1.341 ( 6.242 -4.343 0.803) 7.646 1.605 ( -4.113 -9.310 8.697) 13.388 1.687 ( -8.092 -7.729 1.278) 11.263 2.356 ( 5.407 6.581 0.415) 8.527 2.372 ( 4.848 6.024 -2.167) 8.030 2.477 ( -2.500 1.751 -6.346) 7.042 2.490 ( -3.157 2.624 -3.409) 5.336 2.530 ( 1.044 0.777 -3.550) 3.781 2.590 ( -3.539 -0.353 -2.704) 4.468 8.538 ( 2.703 3.173 -1.811) 4.544 8.601 ( -3.350 1.799 -3.838) 5.403 9.085 ( 4.985 -0.080 7.213) 8.768 9.168 ( -2.961 0.627 5.777) 6.521 9.285 ( 3.657 0.330 2.176) 4.268 9.326 ( -0.107 -1.069 0.454) 1.166 21.393 ( 2.531 1.100 1.639) 3.210 21.417 ( 0.763 1.327 1.452) 2.110 21.653 ( 3.503 4.877 1.250) 6.134 21.766 ( -6.472 6.094 0.268) 8.893 22.442 ( 7.697 -13.017 6.476) 16.451 22.596 ( -6.766 -14.412 3.566) 16.316 23.730 ( 1.640 0.868 0.786) 2.015 23.768 ( -1.870 0.642 0.655) 2.083 23.897 ( 1.551 2.795 -3.270) 4.573 23.930 ( -1.538 1.700 -2.887) 3.687 52.338 ( 2.868 0.793 0.914) 3.113 52.385 ( -1.386 0.907 -0.067) 1.658 52.664 ( 4.645 4.346 -0.694) 6.399 52.780 ( -5.546 3.729 -0.572) 6.707 53.028 ( 6.165 -4.176 2.106) 7.739 53.158 ( -5.493 -5.921 1.734) 8.261 53.612 ( 1.065 0.477 0.447) 1.249 53.628 ( -0.449 0.267 0.021) 0.523 ======================= Grid point 192 (43/60) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 3.161 3.161 3.483) 5.667 1.135 ( 3.277 3.277 -2.222) 5.139 1.256 ( 1.342 1.342 20.818) 20.905 1.297 ( -3.728 -3.728 13.034) 14.060 1.582 ( -8.030 -8.030 11.057) 15.849 1.701 ( -7.696 -7.696 -0.666) 10.904 2.361 ( 5.531 5.531 -0.540) 7.841 2.372 ( 5.714 5.714 -2.496) 8.458 2.497 ( 0.626 0.626 -7.341) 7.394 2.525 ( -1.871 -1.871 -7.554) 8.004 2.599 ( -0.192 -0.192 0.464) 0.537 2.623 ( 0.117 0.117 -0.209) 0.266 8.554 ( 2.457 2.457 0.774) 3.560 8.659 ( -1.338 -1.338 -3.066) 3.603 9.011 ( 3.003 3.003 6.721) 7.951 9.231 ( -2.190 -2.190 5.180) 6.035 9.244 ( 3.109 3.109 3.124) 5.394 9.288 ( 2.097 2.097 -0.710) 3.049 21.375 ( 2.593 2.593 2.322) 4.340 21.422 ( 3.584 3.584 2.385) 5.602 21.683 ( 1.207 1.207 3.386) 3.792 21.986 ( 4.081 4.081 -4.754) 7.477 22.133 ( -7.515 -7.515 12.266) 16.230 22.484 ( -9.171 -9.171 -0.127) 12.970 23.720 ( 0.960 0.960 0.747) 1.550 23.791 ( -0.538 -0.538 -0.178) 0.782 23.919 ( 1.522 1.522 -2.735) 3.481 23.963 ( -0.048 -0.048 -2.383) 2.384 52.314 ( 2.750 2.750 1.736) 4.260 52.412 ( 1.283 1.283 -1.051) 2.096 52.689 ( 2.032 2.032 1.557) 3.269 52.817 ( 3.611 3.611 -2.531) 5.699 52.981 ( -4.450 -4.450 4.080) 7.500 53.117 ( -4.255 -4.255 0.222) 6.022 53.605 ( 1.011 1.011 0.597) 1.550 53.635 ( 0.186 0.186 -0.258) 0.369 ======================= Grid point 193 (44/60) ======================= q-point: ( 0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 7.241 -3.745 3.957) 9.062 1.199 ( -6.105 -5.006 8.015) 11.250 1.246 ( 6.348 -2.882 -0.215) 6.975 1.289 ( 1.674 -0.948 16.407) 16.519 1.434 ( -4.438 -6.612 16.181) 18.035 1.508 ( -9.438 -8.968 2.269) 13.216 2.459 ( 2.202 1.828 -7.040) 7.599 2.477 ( 4.601 4.204 -1.410) 6.389 2.492 ( -0.827 0.628 -6.534) 6.616 2.533 ( 2.449 2.873 -2.342) 4.443 2.571 ( -1.950 2.098 0.287) 2.878 2.605 ( -2.119 1.338 -0.612) 2.579 8.594 ( 1.598 2.076 0.541) 2.675 8.627 ( -1.642 0.696 -0.817) 1.962 9.084 ( 3.850 0.062 6.513) 7.566 9.164 ( -3.767 -1.297 6.039) 7.235 9.302 ( 2.130 1.218 0.829) 2.590 9.321 ( 0.444 0.591 -0.138) 0.752 21.437 ( 3.048 3.215 3.571) 5.690 21.474 ( 0.376 4.063 3.747) 5.540 21.719 ( 3.996 0.984 4.134) 5.833 21.866 ( -9.351 2.617 4.134) 10.554 22.187 ( 6.871 -10.272 1.040) 12.402 22.327 ( -6.740 -10.728 -0.491) 12.679 23.745 ( 1.371 0.607 0.787) 1.693 23.773 ( -1.224 -0.102 0.457) 1.310 23.942 ( 0.851 1.493 -2.675) 3.179 23.956 ( -0.553 0.846 -2.478) 2.676 52.377 ( 2.936 2.739 1.685) 4.354 52.420 ( -0.923 2.266 0.667) 2.536 52.733 ( 3.391 1.861 1.316) 4.086 52.833 ( -5.270 1.019 1.007) 5.461 52.944 ( 4.330 -3.423 0.051) 5.520 53.039 ( -4.112 -4.956 -0.202) 6.443 53.624 ( 0.782 0.669 0.335) 1.082 53.635 ( -0.239 0.372 0.033) 0.444 ======================= Grid point 202 (45/60) ======================= q-point: ( 0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.919 0.919 3.653) 3.877 1.087 ( -5.107 -5.107 4.234) 8.373 1.224 ( 1.072 1.072 -2.351) 2.798 1.271 ( -1.727 -1.727 7.383) 7.776 1.344 ( -2.183 -2.183 22.409) 22.620 1.355 ( -4.421 -4.421 13.126) 14.539 2.473 ( 0.231 0.231 -8.784) 8.790 2.479 ( -0.427 -0.427 -8.766) 8.787 2.563 ( 2.770 2.770 0.427) 3.940 2.593 ( -0.097 -0.097 0.414) 0.436 2.595 ( 2.342 2.342 -0.581) 3.363 2.621 ( -0.097 -0.097 -0.414) 0.436 8.623 ( 0.868 0.868 2.068) 2.404 8.633 ( -0.068 -0.068 1.565) 1.568 9.093 ( 0.969 0.969 6.265) 6.413 9.125 ( -2.015 -2.015 6.199) 6.823 9.328 ( 1.017 1.017 -0.557) 1.543 9.335 ( 0.355 0.355 -0.791) 0.937 21.520 ( 4.442 4.442 5.867) 8.595 21.563 ( 2.645 2.645 6.615) 7.599 21.707 ( 0.150 0.150 5.960) 5.963 21.809 ( -7.165 -7.165 8.532) 13.247 22.098 ( 1.337 1.337 -5.591) 5.902 22.167 ( -5.066 -5.066 -4.224) 8.317 23.756 ( 0.548 0.548 0.733) 1.067 23.767 ( -0.425 -0.425 0.587) 0.840 23.961 ( 0.511 0.511 -2.387) 2.494 23.965 ( 0.093 0.093 -2.318) 2.321 52.437 ( 2.592 2.592 2.306) 4.330 52.459 ( 0.792 0.792 1.862) 2.173 52.749 ( 0.782 0.782 2.658) 2.879 52.798 ( -3.520 -3.520 3.095) 5.862 52.927 ( 1.456 1.456 -2.668) 3.370 52.967 ( -2.329 -2.329 -2.111) 3.911 53.636 ( 0.424 0.424 0.255) 0.652 53.640 ( 0.061 0.061 0.147) 0.170 ======================= Grid point 243 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 0.000 0.000 2.002) 2.002 0.200 ( -0.000 -0.000 2.002) 2.002 0.540 ( 0.000 0.000 -1.950) 1.950 0.540 ( 0.000 0.000 -1.950) 1.950 1.626 ( 0.000 0.000 21.503) 21.503 1.906 ( 0.000 0.000 -4.308) 4.308 2.439 ( -0.000 -0.000 7.399) 7.399 2.481 ( 0.000 0.000 -0.089) 0.089 2.481 ( 0.000 0.000 -0.089) 0.089 2.581 ( 0.000 0.000 0.442) 0.442 2.581 ( 0.000 0.000 0.442) 0.442 2.695 ( 0.000 0.000 -15.548) 15.548 8.533 ( 0.000 0.000 11.713) 11.713 8.748 ( 0.000 0.000 -10.657) 10.657 8.774 ( 0.000 0.000 8.378) 8.378 8.774 ( -0.000 0.000 8.378) 8.378 8.913 ( 0.000 0.000 -6.052) 6.052 8.913 ( -0.000 0.000 -6.052) 6.052 21.274 ( 0.000 0.000 1.971) 1.971 21.274 ( 0.000 0.000 1.971) 1.971 21.394 ( 0.000 0.000 -1.495) 1.495 21.394 ( 0.000 0.000 -1.495) 1.495 22.613 ( 0.000 0.000 13.101) 13.101 22.854 ( 0.000 0.000 -11.923) 11.923 23.752 ( 0.000 0.000 0.392) 0.392 23.759 ( 0.000 0.000 -0.308) 0.308 23.946 ( 0.000 0.000 3.279) 3.279 24.004 ( 0.000 0.000 -2.716) 2.716 52.251 ( 0.000 -0.000 0.134) 0.134 52.251 ( -0.000 -0.000 0.134) 0.134 52.475 ( 0.000 0.000 0.109) 0.109 52.475 ( 0.000 0.000 0.109) 0.109 53.190 ( 0.000 0.000 4.943) 4.943 53.282 ( 0.000 0.000 -4.679) 4.679 53.564 ( 0.000 0.000 1.619) 1.619 53.592 ( 0.000 0.000 -1.292) 1.292 ======================= Grid point 244 (47/60) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 18.039 0.000 0.941) 18.064 0.564 ( 23.103 0.000 1.064) 23.128 0.671 ( 11.292 0.000 -1.629) 11.409 0.764 ( 17.799 0.000 -1.496) 17.862 1.639 ( 1.327 0.000 20.715) 20.758 1.892 ( -1.241 0.000 -2.038) 2.386 2.384 ( -3.428 0.000 1.726) 3.838 2.452 ( -2.746 0.000 -0.097) 2.747 2.457 ( -3.313 0.000 -2.196) 3.975 2.548 ( -3.125 0.000 0.424) 3.154 2.578 ( 0.802 0.000 1.147) 1.399 2.741 ( 2.360 0.000 -10.133) 10.405 8.486 ( -3.384 0.000 9.723) 10.295 8.679 ( -4.584 0.000 -9.419) 10.475 8.843 ( 6.336 0.000 8.087) 10.273 8.846 ( 5.606 0.000 8.602) 10.267 8.977 ( 5.826 0.000 -5.807) 8.225 8.992 ( 5.790 0.000 -5.751) 8.161 21.243 ( -2.098 0.000 1.421) 2.534 21.295 ( 2.005 0.000 1.884) 2.751 21.407 ( 1.126 0.000 -1.424) 1.816 21.452 ( 5.061 0.000 -1.421) 5.257 22.634 ( 0.870 0.000 12.639) 12.669 22.910 ( 5.656 0.000 -10.883) 12.265 23.746 ( -0.621 0.000 0.362) 0.719 23.752 ( -0.668 0.000 -0.271) 0.721 23.910 ( -3.183 0.000 3.524) 4.749 23.982 ( -1.848 0.000 -2.915) 3.451 52.232 ( -0.821 0.000 -0.383) 0.906 52.260 ( 0.909 0.000 0.128) 0.918 52.471 ( -0.378 0.000 0.104) 0.393 52.516 ( 3.866 0.000 -0.012) 3.866 53.174 ( -3.316 0.000 3.095) 4.535 53.332 ( 5.220 0.000 -2.328) 5.716 53.566 ( 0.188 0.000 1.497) 1.509 53.597 ( 0.678 0.000 -1.123) 1.312 ======================= Grid point 245 (48/60) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 17.946 0.000 0.684) 17.959 0.947 ( 14.363 0.000 -1.281) 14.420 1.021 ( 20.170 0.000 1.852) 20.255 1.152 ( 18.033 0.000 -1.359) 18.085 1.687 ( 3.708 0.000 18.020) 18.398 1.864 ( -1.083 0.000 3.433) 3.600 2.326 ( -1.957 0.000 -4.062) 4.509 2.369 ( -5.159 0.000 -0.113) 5.160 2.383 ( -3.287 0.000 -5.145) 6.106 2.454 ( -5.938 0.000 0.354) 5.949 2.583 ( -0.883 0.000 2.675) 2.817 2.750 ( -1.776 0.000 -6.587) 6.823 8.424 ( -2.326 0.000 6.249) 6.668 8.587 ( -4.155 0.000 -7.662) 8.716 8.975 ( 6.434 0.000 7.526) 9.901 9.011 ( 9.217 0.000 7.018) 11.584 9.111 ( 5.310 0.000 -3.522) 6.372 9.127 ( 7.966 0.000 -5.014) 9.412 21.227 ( 0.999 0.000 0.567) 1.149 21.351 ( 3.176 0.000 1.613) 3.562 21.437 ( 1.708 0.000 -1.198) 2.086 21.558 ( 3.926 0.000 -1.806) 4.321 22.656 ( 2.492 0.000 10.199) 10.499 23.051 ( 6.647 0.000 -6.394) 9.223 23.728 ( -1.009 0.000 0.269) 1.044 23.733 ( -1.060 0.000 -0.158) 1.072 23.840 ( -3.126 0.000 3.137) 4.428 23.932 ( -3.021 0.000 -3.188) 4.392 52.250 ( 2.807 0.000 -1.162) 3.038 52.287 ( 1.621 0.000 0.112) 1.625 52.459 ( -0.807 0.000 0.094) 0.812 52.621 ( 5.591 0.000 -0.477) 5.612 53.080 ( -4.538 0.000 2.115) 5.007 53.425 ( 2.503 0.000 -0.281) 2.519 53.575 ( 0.726 0.000 0.895) 1.153 53.622 ( 1.438 0.000 -0.339) 1.477 ======================= Grid point 246 (49/60) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 15.001 0.000 0.707) 15.018 1.235 ( 12.894 0.000 -1.101) 12.941 1.356 ( 11.429 0.000 5.490) 12.679 1.451 ( 9.661 0.000 -0.790) 9.693 1.811 ( 8.468 0.000 12.563) 15.150 1.881 ( 3.800 0.000 7.998) 8.855 2.247 ( -6.372 0.000 -0.114) 6.373 2.304 ( -0.262 0.000 -8.178) 8.182 2.310 ( -7.677 0.000 0.208) 7.680 2.325 ( -2.302 0.000 -6.086) 6.507 2.536 ( -3.524 0.000 2.878) 4.550 2.668 ( -5.869 0.000 -5.015) 7.720 8.396 ( -0.377 0.000 2.746) 2.771 8.509 ( -3.393 0.000 -5.463) 6.431 9.100 ( 5.453 0.000 5.616) 7.828 9.196 ( 8.112 0.000 4.903) 9.478 9.199 ( 2.955 0.000 -0.932) 3.099 9.277 ( 5.952 0.000 -3.424) 6.867 21.284 ( 4.312 0.000 -0.124) 4.314 21.417 ( 3.042 0.000 1.144) 3.250 21.471 ( 1.348 0.000 -0.785) 1.559 21.582 ( -1.715 0.000 -1.696) 2.412 22.767 ( 8.086 0.000 8.189) 11.508 23.146 ( 1.902 0.000 -1.771) 2.598 23.707 ( -0.920 0.000 0.165) 0.935 23.711 ( -1.000 0.000 -0.026) 1.001 23.790 ( -1.646 0.000 1.891) 2.507 23.863 ( -3.352 0.000 -3.850) 5.105 52.325 ( 2.000 0.000 0.094) 2.003 52.344 ( 5.940 0.000 -1.307) 6.083 52.437 ( -1.283 0.000 0.083) 1.286 52.694 ( -0.098 0.000 -0.953) 0.958 53.046 ( 2.629 0.000 2.054) 3.337 53.426 ( -2.303 0.000 0.438) 2.344 53.594 ( 1.029 0.000 0.548) 1.166 53.639 ( 0.106 0.000 0.119) 0.159 ======================= Grid point 247 (50/60) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 7.356 0.000 0.447) 7.370 1.444 ( 6.056 0.000 -0.633) 6.089 1.503 ( 3.850 0.000 7.639) 8.555 1.541 ( 0.274 0.000 4.266) 4.275 1.994 ( 6.993 0.000 8.800) 11.240 2.006 ( 5.554 0.000 7.323) 9.191 2.136 ( -3.148 0.000 -0.093) 3.149 2.162 ( -5.496 0.000 -0.000) 5.496 2.289 ( -0.680 0.000 -6.735) 6.770 2.304 ( -0.708 0.000 -8.639) 8.668 2.466 ( -1.429 0.000 0.574) 1.540 2.531 ( -6.462 0.000 -4.293) 7.758 8.407 ( 1.329 0.000 -0.363) 1.378 8.447 ( -2.534 0.000 -3.056) 3.970 9.192 ( 3.225 0.000 3.563) 4.806 9.228 ( -0.187 0.000 1.423) 1.436 9.326 ( 4.048 0.000 2.027) 4.527 9.355 ( 1.294 0.000 -0.958) 1.609 21.391 ( 5.675 0.000 -0.597) 5.706 21.468 ( 1.738 0.000 0.506) 1.810 21.486 ( 0.022 0.000 -0.187) 0.188 21.506 ( -5.074 0.000 -1.109) 5.193 22.958 ( 9.364 0.000 5.929) 11.083 23.114 ( -4.989 0.000 2.765) 5.704 23.694 ( -0.322 0.000 0.104) 0.339 23.695 ( -0.464 0.000 0.056) 0.468 23.776 ( 0.358 0.000 -0.895) 0.964 23.804 ( -2.235 0.000 -3.340) 4.019 52.367 ( 2.013 0.000 0.081) 2.015 52.406 ( -1.729 0.000 0.077) 1.731 52.481 ( 7.013 0.000 -1.002) 7.084 52.619 ( -5.934 0.000 -0.785) 5.986 53.173 ( 8.089 0.000 1.390) 8.207 53.332 ( -6.586 0.000 0.958) 6.656 53.615 ( 0.944 0.000 0.307) 0.993 53.632 ( -0.669 0.000 0.144) 0.685 ======================= Grid point 253 (51/60) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 8.196 8.196 4.259) 12.349 0.604 ( 7.912 7.912 -4.618) 12.105 0.907 ( 15.668 15.668 2.764) 22.330 0.961 ( 15.519 15.519 -2.977) 22.148 1.653 ( 1.454 1.454 19.836) 19.942 1.879 ( -1.151 -1.151 0.042) 1.628 2.342 ( -2.738 -2.738 -1.812) 4.275 2.381 ( -4.096 -4.096 -2.967) 6.508 2.485 ( -0.828 -0.828 3.329) 3.529 2.545 ( 0.225 0.225 -1.597) 1.628 2.600 ( 0.110 0.110 2.522) 2.527 2.718 ( -1.369 -1.369 -10.119) 10.302 8.479 ( -0.936 -0.936 8.884) 8.982 8.653 ( -2.219 -2.219 -9.209) 9.729 8.847 ( 3.100 3.100 7.884) 9.021 8.945 ( 5.988 5.988 7.538) 11.337 8.980 ( 3.114 3.114 -4.724) 6.458 9.078 ( 5.367 5.367 -5.139) 9.166 21.252 ( -0.210 -0.210 1.916) 1.939 21.273 ( -0.054 -0.054 0.106) 0.130 21.458 ( 3.307 3.307 0.539) 4.708 21.490 ( 4.265 4.265 -2.427) 6.502 22.665 ( 1.417 1.417 14.004) 14.147 22.910 ( 0.988 0.988 -11.396) 11.482 23.737 ( -0.771 -0.771 0.258) 1.120 23.741 ( -0.864 -0.864 -0.206) 1.239 23.897 ( -1.348 -1.348 3.491) 3.977 23.963 ( -1.441 -1.441 -3.288) 3.868 52.234 ( -0.315 -0.315 0.554) 0.711 52.249 ( 0.355 0.355 -1.162) 1.266 52.510 ( 1.713 1.713 0.350) 2.448 52.517 ( 1.978 1.978 -0.277) 2.811 53.225 ( 0.921 0.921 4.916) 5.086 53.309 ( 0.479 0.479 -3.798) 3.858 53.568 ( 0.208 0.208 1.681) 1.707 53.596 ( 0.193 0.193 -1.291) 1.320 ======================= Grid point 254 (52/60) ======================= q-point: ( 0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 15.185 -2.451 3.295) 15.730 0.848 ( 14.162 -2.105 -3.537) 14.748 1.228 ( 14.174 11.591 3.320) 18.609 1.290 ( 14.499 10.191 -2.015) 17.837 1.709 ( 4.347 2.247 16.678) 17.381 1.858 ( -0.248 -0.202 4.765) 4.775 2.289 ( -2.640 -2.356 -5.127) 6.230 2.305 ( -3.078 -3.808 -3.986) 6.314 2.410 ( -5.057 0.874 1.632) 5.386 2.529 ( -6.005 3.558 -1.246) 7.090 2.563 ( 0.245 -0.726 0.207) 0.793 2.703 ( -1.090 -4.175 -5.276) 6.816 8.451 ( -1.396 2.234 5.985) 6.540 8.596 ( -3.134 0.615 -7.621) 8.263 8.958 ( 6.941 0.200 7.467) 10.197 9.071 ( 6.138 2.008 -0.550) 6.481 9.092 ( 6.558 2.671 2.761) 7.600 9.192 ( 5.459 3.648 -3.411) 7.399 21.246 ( 1.083 1.865 0.506) 2.215 21.316 ( 3.022 -2.104 0.422) 3.706 21.499 ( 1.402 5.866 0.326) 6.040 21.615 ( 5.665 3.890 -1.973) 7.149 22.659 ( -0.782 -0.037 10.944) 10.972 22.969 ( 3.638 -7.330 -6.045) 10.174 23.719 ( -0.779 -0.678 0.226) 1.057 23.727 ( -0.285 -0.223 -0.771) 0.852 23.859 ( -2.171 1.292 2.609) 3.632 23.930 ( -1.948 -0.213 -3.092) 3.661 52.248 ( 2.114 -0.258 0.513) 2.190 52.277 ( 2.011 -0.071 -1.592) 2.566 52.502 ( -0.713 4.052 0.107) 4.116 52.626 ( 6.338 0.141 -0.335) 6.349 53.138 ( -6.035 4.710 2.228) 7.973 53.379 ( 2.792 -4.485 -0.295) 5.291 53.577 ( 0.731 0.208 1.233) 1.449 53.610 ( 1.030 -0.624 -0.801) 1.447 ======================= Grid point 255 (53/60) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 14.670 -6.205 2.760) 16.165 1.148 ( 14.224 -5.042 -2.695) 15.330 1.446 ( 6.551 4.617 6.241) 10.158 1.500 ( 4.979 2.764 0.346) 5.706 1.839 ( 7.327 2.304 11.123) 13.517 1.898 ( 4.042 1.564 7.995) 9.094 2.221 ( -3.364 -1.358 -2.348) 4.321 2.243 ( -3.296 -2.696 -3.380) 5.437 2.329 ( -1.682 1.386 -5.047) 5.497 2.398 ( -5.717 2.866 -3.952) 7.518 2.539 ( -2.545 0.752 1.223) 2.922 2.646 ( -4.468 -1.748 -3.417) 5.890 8.432 ( -0.281 3.261 2.694) 4.239 8.532 ( -2.973 1.990 -5.255) 6.357 9.101 ( 6.204 -0.194 6.169) 8.751 9.180 ( 3.923 0.170 -1.205) 4.108 9.224 ( 5.913 1.228 3.154) 6.813 9.295 ( 4.193 1.346 -1.770) 4.747 21.302 ( 4.000 1.699 0.044) 4.346 21.381 ( 2.937 -1.945 0.191) 3.528 21.523 ( 0.968 5.181 0.443) 5.289 21.671 ( -0.649 6.359 -1.688) 6.612 22.694 ( 4.727 -6.521 7.686) 11.133 23.014 ( 0.124 -11.547 -0.842) 11.579 23.711 ( 0.070 0.309 0.650) 0.723 23.734 ( 1.034 1.518 -2.080) 2.775 23.812 ( -2.278 2.119 2.251) 3.840 23.881 ( -2.716 1.359 -3.284) 4.473 52.303 ( 2.559 -1.120 0.824) 2.912 52.338 ( 3.768 -0.229 -1.724) 4.150 52.491 ( 0.161 4.559 -0.079) 4.562 52.731 ( 1.846 2.530 -0.815) 3.236 53.053 ( -0.359 0.739 1.994) 2.157 53.385 ( -2.231 -4.107 0.560) 4.707 53.596 ( 0.995 0.191 0.700) 1.231 53.627 ( 0.434 -0.780 -0.242) 0.924 ======================= Grid point 256 (54/60) ======================= q-point: ( 0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 9.860 -5.641 2.512) 11.634 1.399 ( 8.462 -3.896 -1.470) 9.431 1.512 ( -0.812 -1.444 4.745) 5.026 1.518 ( -1.119 -1.280 4.494) 4.805 1.923 ( 0.283 -5.197 8.196) 9.709 1.941 ( -1.172 -4.736 8.409) 9.722 2.214 ( 2.965 4.924 -1.020) 5.837 2.233 ( 2.934 5.552 0.199) 6.282 2.305 ( -2.123 1.202 -7.208) 7.609 2.326 ( -1.056 2.280 -7.286) 7.707 2.478 ( -1.756 1.258 0.482) 2.213 2.532 ( -5.701 0.393 -3.067) 6.486 8.441 ( 1.123 3.168 -0.228) 3.369 8.477 ( -2.248 2.686 -2.820) 4.497 9.197 ( 3.045 0.257 3.925) 4.974 9.225 ( 0.408 0.092 1.157) 1.230 9.323 ( 3.328 -0.435 1.477) 3.667 9.350 ( 0.825 -0.363 -0.337) 0.963 21.390 ( 3.730 0.545 0.041) 3.770 21.423 ( 0.663 -1.288 -0.017) 1.449 21.546 ( 1.749 5.258 0.200) 5.545 21.611 ( -4.048 6.652 -0.893) 7.838 22.831 ( 7.483 -11.102 5.034) 14.303 22.965 ( -4.808 -12.788 2.491) 13.887 23.725 ( 1.284 1.952 1.412) 2.730 23.757 ( -0.791 4.570 0.308) 4.649 23.776 ( 0.774 0.143 -1.440) 1.641 23.823 ( -2.717 1.958 -3.583) 4.904 52.351 ( 2.057 -0.853 0.245) 2.240 52.380 ( -0.296 -1.068 -0.238) 1.133 52.547 ( 5.419 4.850 -0.660) 7.302 52.674 ( -5.806 4.439 -0.641) 7.336 53.143 ( 7.337 -2.803 1.337) 7.967 53.293 ( -6.358 -3.725 0.954) 7.430 53.615 ( 0.812 0.064 0.320) 0.875 53.627 ( -0.346 -0.274 0.014) 0.441 ======================= Grid point 263 (55/60) ======================= q-point: ( 0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 6.031 6.031 3.790) 9.333 0.888 ( 5.871 5.871 -3.674) 9.079 1.424 ( 6.684 6.684 5.987) 11.189 1.474 ( 6.008 6.008 -0.393) 8.506 1.789 ( 5.309 5.309 12.311) 14.420 1.877 ( 2.394 2.394 7.023) 7.796 2.235 ( -2.410 -2.410 -3.970) 5.232 2.244 ( -2.412 -2.412 -5.476) 6.451 2.384 ( -2.623 -2.623 2.369) 4.402 2.507 ( -3.601 -3.601 -7.676) 9.212 2.610 ( 0.368 0.368 0.242) 0.574 2.619 ( -1.064 -1.064 -1.349) 2.021 8.493 ( 1.452 1.452 4.581) 5.020 8.600 ( -0.453 -0.453 -6.508) 6.539 9.000 ( 3.862 3.862 7.228) 9.059 9.114 ( 3.385 3.385 -4.701) 6.709 9.188 ( 4.682 4.682 5.856) 8.839 9.261 ( 2.951 2.951 -1.792) 4.541 21.299 ( 2.467 2.467 0.455) 3.519 21.303 ( 1.757 1.757 0.070) 2.485 21.628 ( 4.243 4.243 3.095) 6.752 21.699 ( 5.227 5.227 -4.082) 8.444 22.626 ( -4.070 -4.070 12.491) 13.753 22.808 ( -6.226 -6.226 -6.157) 10.744 23.711 ( -0.004 -0.004 0.597) 0.597 23.733 ( 0.878 0.878 -2.053) 2.399 23.874 ( -0.005 -0.005 2.008) 2.008 23.923 ( -0.472 -0.472 -2.914) 2.990 52.257 ( 1.491 1.491 1.648) 2.677 52.296 ( 1.809 1.809 -2.582) 3.635 52.608 ( 2.808 2.808 1.020) 4.100 52.629 ( 3.295 3.295 -1.217) 4.817 53.206 ( -2.137 -2.137 4.228) 5.197 53.268 ( -2.666 -2.666 -2.032) 4.284 53.586 ( 0.659 0.659 1.316) 1.612 53.609 ( 0.418 0.418 -1.079) 1.230 ======================= Grid point 264 (56/60) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 10.823 -2.415 3.470) 11.619 1.068 ( 10.796 -2.112 -3.199) 11.456 1.504 ( 1.250 0.963 6.027) 6.230 1.517 ( -1.228 -1.293 3.450) 3.884 1.864 ( -0.062 -1.100 8.998) 9.065 1.911 ( -1.271 -1.581 8.744) 8.976 2.223 ( 1.752 1.664 -3.953) 4.633 2.233 ( 3.124 2.665 -3.174) 5.190 2.351 ( 0.040 1.095 -3.543) 3.709 2.411 ( -4.268 -1.236 -6.873) 8.185 2.578 ( -1.920 2.458 0.268) 3.130 2.620 ( -1.579 -0.489 -0.627) 1.768 8.511 ( 0.506 3.821 2.298) 4.487 8.578 ( -1.500 2.123 -4.198) 4.938 9.101 ( 5.292 0.727 6.189) 8.175 9.197 ( 4.095 1.212 -3.223) 5.350 9.261 ( 2.160 2.344 3.027) 4.396 9.315 ( 2.215 0.329 0.479) 2.289 21.352 ( 3.527 2.932 0.658) 4.634 21.374 ( 3.602 1.557 0.097) 3.925 21.660 ( 0.192 7.201 2.168) 7.523 21.795 ( 1.764 5.147 -2.767) 6.104 22.528 ( -2.774 -8.853 7.669) 12.037 22.727 ( -3.044 -14.949 -1.158) 15.300 23.722 ( 1.084 0.760 1.302) 1.857 23.759 ( 1.429 0.949 -2.527) 3.054 23.861 ( -1.067 2.058 1.243) 2.630 23.906 ( -1.251 0.905 -2.664) 3.079 52.303 ( 2.606 1.284 1.515) 3.276 52.347 ( 2.749 1.180 -1.921) 3.555 52.607 ( 0.315 6.336 0.095) 6.345 52.762 ( 5.701 0.255 -0.640) 5.742 53.073 ( -6.077 0.904 1.923) 6.437 53.259 ( -1.686 -7.709 0.401) 7.902 53.603 ( 0.912 0.520 0.854) 1.353 53.620 ( 0.533 0.127 -0.664) 0.862 ======================= Grid point 265 (57/60) ======================= q-point: ( 0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 10.821 -6.089 3.235) 12.831 1.298 ( 10.081 -5.419 -2.478) 11.710 1.433 ( -6.149 -5.335 4.255) 9.186 1.479 ( -4.605 -3.524 1.033) 5.890 1.814 ( -2.057 -4.886 10.884) 12.106 1.837 ( -3.842 -4.841 10.623) 12.290 2.279 ( 2.260 1.305 -6.456) 6.963 2.311 ( 0.070 0.440 -8.658) 8.669 2.373 ( 3.814 6.108 0.487) 7.217 2.404 ( 3.225 5.048 -2.431) 6.465 2.522 ( -2.781 2.850 0.385) 4.001 2.555 ( -4.248 1.756 -1.057) 4.717 8.523 ( 0.788 4.331 0.144) 4.405 8.546 ( -1.408 3.659 -1.946) 4.377 9.196 ( 3.550 -0.157 3.970) 5.328 9.241 ( -0.568 1.153 1.592) 2.046 9.305 ( 2.650 -1.143 -0.091) 2.888 9.339 ( -0.219 -0.794 0.774) 1.131 21.423 ( 2.591 2.531 1.280) 3.841 21.435 ( 1.655 2.546 0.253) 3.047 21.674 ( 2.074 6.577 0.869) 6.951 21.753 ( -4.522 6.734 -0.990) 8.172 22.552 ( 4.118 -14.957 3.901) 15.996 22.649 ( -4.553 -16.650 1.571) 17.332 23.752 ( 1.670 0.790 1.556) 2.416 23.777 ( -0.234 0.083 -0.307) 0.395 23.847 ( 0.320 3.545 -1.054) 3.712 23.873 ( -1.735 2.390 -2.679) 3.987 52.354 ( 2.161 1.370 0.641) 2.638 52.381 ( 0.014 1.162 -0.285) 1.196 52.655 ( 4.584 5.307 -0.266) 7.017 52.769 ( -4.950 4.259 -0.383) 6.542 53.062 ( 4.967 -4.815 1.122) 7.008 53.183 ( -5.371 -6.712 0.726) 8.627 53.619 ( 0.618 0.381 0.337) 0.800 53.626 ( -0.010 0.201 -0.162) 0.259 ======================= Grid point 273 (58/60) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 3.271 3.271 3.870) 6.031 1.079 ( 3.313 3.313 -3.435) 5.809 1.446 ( -5.345 -5.345 4.598) 8.848 1.488 ( -3.002 -3.002 1.877) 4.642 1.795 ( -4.379 -4.379 10.685) 12.349 1.834 ( -4.702 -4.702 10.473) 12.406 2.269 ( 1.639 1.639 -6.380) 6.788 2.309 ( 2.155 2.155 -7.327) 7.935 2.399 ( 2.136 2.136 -2.187) 3.730 2.405 ( 4.442 4.442 -1.914) 6.567 2.608 ( -0.136 -0.136 0.510) 0.545 2.617 ( -0.037 -0.037 -0.407) 0.410 8.575 ( 2.220 2.220 1.444) 3.456 8.609 ( 0.851 0.851 -2.205) 2.512 9.137 ( 2.602 2.602 6.177) 7.190 9.232 ( 2.195 2.195 -3.582) 4.740 9.302 ( -0.843 -0.843 2.100) 2.415 9.307 ( 1.099 1.099 1.393) 2.087 21.418 ( 3.788 3.788 2.024) 5.727 21.442 ( 4.334 4.334 -0.257) 6.134 21.771 ( 2.511 2.511 5.619) 6.647 21.883 ( 3.430 3.430 -5.929) 7.661 22.341 ( -8.925 -8.925 9.036) 15.523 22.458 ( -9.721 -9.721 -3.336) 14.147 23.741 ( 1.089 1.089 1.575) 2.203 23.775 ( 0.555 0.555 -1.640) 1.818 23.889 ( 0.769 0.769 0.076) 1.090 23.916 ( 0.080 0.080 -2.320) 2.323 52.350 ( 2.864 2.864 1.972) 4.504 52.386 ( 2.413 2.413 -1.727) 3.825 52.725 ( 2.640 2.640 2.220) 4.343 52.770 ( 3.221 3.221 -2.473) 5.183 53.055 ( -4.803 -4.803 3.460) 7.623 53.104 ( -4.831 -4.831 -1.636) 7.025 53.617 ( 0.747 0.747 0.628) 1.229 53.628 ( 0.446 0.446 -0.505) 0.809 ======================= Grid point 274 (59/60) ======================= q-point: ( 0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 7.573 -3.738 3.803) 9.262 1.197 ( 7.454 -3.712 -3.236) 8.934 1.301 ( -8.080 -7.027 4.110) 11.470 1.371 ( -7.838 -6.531 -2.621) 10.534 1.735 ( -0.863 -2.593 13.707) 13.977 1.755 ( -2.563 -3.005 12.678) 13.279 2.289 ( 0.715 0.054 -8.174) 8.206 2.306 ( -0.922 -0.585 -9.174) 9.239 2.492 ( 4.820 5.023 0.656) 6.993 2.508 ( 4.573 4.581 -0.893) 6.534 2.579 ( -2.422 2.232 0.448) 3.324 2.594 ( -2.434 1.660 -0.503) 2.989 8.605 ( 0.866 3.345 0.604) 3.508 8.615 ( -0.145 2.818 -0.478) 2.862 9.198 ( 3.029 0.323 4.981) 5.838 9.257 ( -2.409 -0.066 3.071) 3.904 9.286 ( 2.198 -0.399 -2.007) 3.003 9.319 ( -0.586 -0.895 -0.423) 1.150 21.500 ( 3.433 4.992 2.601) 6.594 21.521 ( 2.089 5.549 0.783) 5.981 21.794 ( 1.753 4.364 3.512) 5.870 21.878 ( -4.489 5.249 -1.992) 7.189 22.242 ( 0.743 -14.537 3.507) 14.972 22.315 ( -5.102 -14.800 -0.997) 15.686 23.764 ( 1.017 0.470 1.179) 1.627 23.779 ( -0.287 0.027 -0.089) 0.302 23.900 ( 0.477 1.692 -1.144) 2.098 23.911 ( -0.483 1.208 -1.940) 2.335 52.406 ( 2.207 3.361 1.199) 4.196 52.425 ( 0.681 2.925 -0.169) 3.008 52.755 ( 2.817 4.095 0.820) 5.038 52.835 ( -1.970 1.973 -0.361) 2.812 52.957 ( 0.730 -4.977 0.861) 5.103 53.033 ( -3.928 -7.235 -0.303) 8.238 53.630 ( 0.469 0.582 0.266) 0.793 53.634 ( 0.094 0.464 -0.133) 0.492 ======================= Grid point 283 (60/60) ======================= q-point: ( 0.44 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.959 0.959 4.025) 4.247 1.165 ( -5.551 -5.551 4.091) 8.852 1.166 ( 1.004 1.004 -3.527) 3.802 1.238 ( -5.578 -5.578 -3.546) 8.648 1.705 ( -0.474 -0.474 14.243) 14.259 1.712 ( -1.163 -1.163 13.734) 13.832 2.290 ( 0.086 0.086 -8.605) 8.606 2.295 ( -0.421 -0.421 -8.902) 8.922 2.572 ( 2.706 2.706 0.571) 3.869 2.584 ( 2.578 2.578 -0.620) 3.699 2.602 ( -0.116 -0.116 0.525) 0.550 2.612 ( -0.119 -0.119 -0.528) 0.555 8.654 ( 1.250 1.250 0.947) 2.005 8.656 ( 1.005 1.005 0.695) 1.583 9.209 ( 0.847 0.847 5.561) 5.689 9.235 ( -1.551 -1.551 5.026) 5.483 9.293 ( 0.744 0.744 -3.193) 3.361 9.307 ( -0.516 -0.516 -2.514) 2.617 21.619 ( 5.808 5.808 3.966) 9.121 21.646 ( 5.016 5.016 1.544) 7.260 21.835 ( 0.696 0.696 7.386) 7.451 21.964 ( -8.401 -8.401 7.263) 13.925 21.976 ( 1.075 1.075 -7.184) 7.343 22.079 ( -7.473 -7.473 -5.152) 11.757 23.773 ( 0.336 0.336 0.804) 0.935 23.778 ( -0.145 -0.145 0.347) 0.403 23.922 ( 0.532 0.532 -1.312) 1.513 23.925 ( 0.231 0.231 -1.554) 1.587 52.474 ( 2.572 2.572 1.377) 3.889 52.483 ( 1.864 1.864 0.479) 2.680 52.806 ( 1.097 1.097 3.310) 3.656 52.860 ( -3.679 -3.679 3.342) 6.184 52.870 ( 1.353 1.353 -3.294) 3.810 52.920 ( -3.207 -3.207 -2.893) 5.379 53.640 ( 0.321 0.321 0.148) 0.478 53.641 ( 0.189 0.189 0.004) 0.267 =================== 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 3/20412 10.0 23.583 23.583 21.817 -0.000 -0.000 0.000 3/20412 20.0 14.325 14.325 16.222 -0.000 -0.000 0.000 3/20412 30.0 9.367 9.367 11.357 -0.000 -0.000 0.000 3/20412 40.0 6.925 6.925 8.672 -0.000 -0.000 0.000 3/20412 50.0 5.505 5.505 7.018 -0.000 -0.000 0.000 3/20412 60.0 4.574 4.574 5.896 -0.000 -0.000 0.000 3/20412 70.0 3.912 3.912 5.082 -0.000 -0.000 0.000 3/20412 80.0 3.418 3.418 4.465 -0.000 -0.000 0.000 3/20412 90.0 3.034 3.034 3.981 -0.000 -0.000 0.000 3/20412 100.0 2.728 2.728 3.592 -0.000 -0.000 0.000 3/20412 110.0 2.478 2.478 3.272 -0.000 -0.000 0.000 3/20412 120.0 2.271 2.271 3.004 -0.000 -0.000 0.000 3/20412 130.0 2.096 2.096 2.777 -0.000 -0.000 0.000 3/20412 140.0 1.946 1.946 2.583 -0.000 -0.000 0.000 3/20412 150.0 1.817 1.817 2.414 -0.000 -0.000 0.000 3/20412 160.0 1.704 1.704 2.266 -0.000 -0.000 0.000 3/20412 170.0 1.605 1.605 2.135 -0.000 -0.000 0.000 3/20412 180.0 1.517 1.517 2.019 -0.000 -0.000 0.000 3/20412 190.0 1.439 1.439 1.915 -0.000 -0.000 0.000 3/20412 200.0 1.368 1.368 1.821 -0.000 -0.000 0.000 3/20412 210.0 1.305 1.305 1.737 -0.000 -0.000 0.000 3/20412 220.0 1.247 1.247 1.659 -0.000 -0.000 0.000 3/20412 230.0 1.194 1.194 1.589 -0.000 -0.000 0.000 3/20412 240.0 1.146 1.146 1.524 -0.000 -0.000 0.000 3/20412 250.0 1.101 1.101 1.465 -0.000 -0.000 0.000 3/20412 260.0 1.060 1.060 1.410 -0.000 -0.000 0.000 3/20412 270.0 1.022 1.022 1.359 -0.000 -0.000 0.000 3/20412 280.0 0.987 0.987 1.311 -0.000 -0.000 0.000 3/20412 290.0 0.954 0.954 1.267 -0.000 -0.000 0.000 3/20412 300.0 0.924 0.924 1.226 -0.000 -0.000 0.000 3/20412 310.0 0.895 0.895 1.187 -0.000 -0.000 0.000 3/20412 320.0 0.868 0.868 1.151 -0.000 -0.000 0.000 3/20412 330.0 0.843 0.843 1.117 -0.000 -0.000 0.000 3/20412 340.0 0.819 0.819 1.085 -0.000 -0.000 0.000 3/20412 350.0 0.796 0.796 1.054 -0.000 -0.000 0.000 3/20412 360.0 0.775 0.775 1.026 -0.000 -0.000 0.000 3/20412 370.0 0.755 0.755 0.999 -0.000 -0.000 0.000 3/20412 380.0 0.736 0.736 0.973 -0.000 -0.000 0.000 3/20412 390.0 0.717 0.717 0.949 -0.000 -0.000 0.000 3/20412 400.0 0.700 0.700 0.925 -0.000 -0.000 0.000 3/20412 410.0 0.684 0.684 0.903 -0.000 -0.000 0.000 3/20412 420.0 0.668 0.668 0.882 -0.000 -0.000 0.000 3/20412 430.0 0.653 0.653 0.862 -0.000 -0.000 0.000 3/20412 440.0 0.639 0.639 0.843 -0.000 -0.000 0.000 3/20412 450.0 0.625 0.625 0.824 -0.000 -0.000 0.000 3/20412 460.0 0.612 0.612 0.807 -0.000 -0.000 0.000 3/20412 470.0 0.599 0.599 0.790 -0.000 -0.000 0.000 3/20412 480.0 0.587 0.587 0.774 -0.000 -0.000 0.000 3/20412 490.0 0.576 0.576 0.758 -0.000 -0.000 0.000 3/20412 500.0 0.565 0.565 0.743 -0.000 -0.000 0.000 3/20412 510.0 0.554 0.554 0.729 -0.000 -0.000 0.000 3/20412 520.0 0.544 0.544 0.715 -0.000 -0.000 0.000 3/20412 530.0 0.534 0.534 0.702 -0.000 -0.000 0.000 3/20412 540.0 0.524 0.524 0.689 -0.000 -0.000 0.000 3/20412 550.0 0.515 0.515 0.677 -0.000 -0.000 0.000 3/20412 560.0 0.506 0.506 0.665 -0.000 -0.000 0.000 3/20412 570.0 0.498 0.498 0.654 -0.000 -0.000 0.000 3/20412 580.0 0.490 0.490 0.643 -0.000 -0.000 0.000 3/20412 590.0 0.482 0.482 0.632 -0.000 -0.000 0.000 3/20412 600.0 0.474 0.474 0.621 -0.000 -0.000 0.000 3/20412 610.0 0.466 0.466 0.611 -0.000 -0.000 0.000 3/20412 620.0 0.459 0.459 0.602 -0.000 -0.000 0.000 3/20412 630.0 0.452 0.452 0.592 -0.000 -0.000 0.000 3/20412 640.0 0.445 0.445 0.583 -0.000 -0.000 0.000 3/20412 650.0 0.439 0.439 0.574 -0.000 -0.000 0.000 3/20412 660.0 0.432 0.432 0.566 -0.000 -0.000 0.000 3/20412 670.0 0.426 0.426 0.557 -0.000 -0.000 0.000 3/20412 680.0 0.420 0.420 0.549 -0.000 -0.000 0.000 3/20412 690.0 0.414 0.414 0.542 -0.000 -0.000 0.000 3/20412 700.0 0.408 0.408 0.534 -0.000 -0.000 0.000 3/20412 710.0 0.403 0.403 0.527 -0.000 -0.000 0.000 3/20412 720.0 0.397 0.397 0.519 -0.000 -0.000 0.000 3/20412 730.0 0.392 0.392 0.512 -0.000 -0.000 0.000 3/20412 740.0 0.387 0.387 0.505 -0.000 -0.000 0.000 3/20412 750.0 0.382 0.382 0.499 -0.000 -0.000 0.000 3/20412 760.0 0.377 0.377 0.492 -0.000 -0.000 0.000 3/20412 770.0 0.372 0.372 0.486 -0.000 -0.000 0.000 3/20412 780.0 0.368 0.368 0.480 -0.000 -0.000 0.000 3/20412 790.0 0.363 0.363 0.474 -0.000 -0.000 0.000 3/20412 800.0 0.359 0.359 0.468 -0.000 -0.000 0.000 3/20412 810.0 0.355 0.355 0.462 -0.000 -0.000 0.000 3/20412 820.0 0.350 0.350 0.457 -0.000 -0.000 0.000 3/20412 830.0 0.346 0.346 0.451 -0.000 -0.000 0.000 3/20412 840.0 0.342 0.342 0.446 -0.000 -0.000 0.000 3/20412 850.0 0.339 0.339 0.441 -0.000 -0.000 0.000 3/20412 860.0 0.335 0.335 0.436 -0.000 -0.000 0.000 3/20412 870.0 0.331 0.331 0.431 -0.000 -0.000 0.000 3/20412 880.0 0.327 0.327 0.426 -0.000 -0.000 0.000 3/20412 890.0 0.324 0.324 0.421 -0.000 -0.000 0.000 3/20412 900.0 0.320 0.320 0.417 -0.000 -0.000 0.000 3/20412 910.0 0.317 0.317 0.412 -0.000 -0.000 0.000 3/20412 920.0 0.314 0.314 0.408 -0.000 -0.000 0.000 3/20412 930.0 0.310 0.310 0.403 -0.000 -0.000 0.000 3/20412 940.0 0.307 0.307 0.399 -0.000 -0.000 0.000 3/20412 950.0 0.304 0.304 0.395 -0.000 -0.000 0.000 3/20412 960.0 0.301 0.301 0.391 -0.000 -0.000 0.000 3/20412 970.0 0.298 0.298 0.387 -0.000 -0.000 0.000 3/20412 980.0 0.295 0.295 0.383 -0.000 -0.000 0.000 3/20412 990.0 0.292 0.292 0.379 -0.000 -0.000 0.000 3/20412 1000.0 0.289 0.289 0.375 -0.000 -0.000 0.000 3/20412 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:49:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|