----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:15:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.300897649994702 0.000000000000000 0.000000000000000 b -4.650448824997351 8.054813642894398 0.000000000000000 c 0.000000000000000 0.000000000000000 5.505949730000000 Atomic positions (fractional): *1 Nd 0.59576182953796 0.90780863914397 0.75000000000000 144.242 2 Nd 0.40423817046204 0.09219136085603 0.25000000000000 144.242 3 Nd 0.09219136085603 0.68795319039399 0.75000000000000 144.242 4 Nd 0.31204680960601 0.40423817046204 0.75000000000000 144.242 5 Nd 0.68795319039399 0.59576182953796 0.25000000000000 144.242 6 Nd 0.90780863914397 0.31204680960601 0.25000000000000 144.242 *7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 *9 Cl 0.18821448646823 0.24803638509617 0.25000000000000 35.453 10 Cl 0.94017810137206 0.18821448646823 0.75000000000000 35.453 11 Cl 0.24803638509617 0.05982189862794 0.75000000000000 35.453 12 Cl 0.05982189862794 0.81178551353177 0.25000000000000 35.453 13 Cl 0.75196361490383 0.94017810137206 0.25000000000000 35.453 14 Cl 0.81178551353177 0.75196361490383 0.75000000000000 35.453 *15 O 0.63554127713373 0.15000414798889 0.50401138262777 15.999 16 O 0.15000414798889 0.51446287085516 0.00401138262777 15.999 17 O 0.51446287085516 0.36445872286627 0.99598861737223 15.999 18 O 0.84999585201111 0.48553712914484 0.99598861737223 15.999 19 O 0.36445872286627 0.84999585201111 0.00401138262777 15.999 20 O 0.48553712914484 0.63554127713373 0.49598861737223 15.999 21 O 0.36445872286627 0.84999585201111 0.49598861737223 15.999 22 O 0.48553712914484 0.63554127713373 0.00401138262777 15.999 23 O 0.84999585201111 0.48553712914484 0.50401138262777 15.999 24 O 0.15000414798889 0.51446287085516 0.49598861737223 15.999 25 O 0.51446287085516 0.36445872286627 0.50401138262777 15.999 26 O 0.63554127713373 0.15000414798889 0.99598861737223 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.300897649994702 0.000000000000000 0.000000000000000 b -4.650448824997351 8.054813642894398 0.000000000000000 c 0.000000000000000 0.000000000000000 5.505949730000000 Atomic positions (fractional): *1 Nd 0.59576182953796 0.90780863914397 0.75000000000000 144.242 > 1 2 Nd 0.40423817046204 0.09219136085603 0.25000000000000 144.242 > 2 3 Nd 0.09219136085603 0.68795319039399 0.75000000000000 144.242 > 3 4 Nd 0.31204680960601 0.40423817046204 0.75000000000000 144.242 > 4 5 Nd 0.68795319039399 0.59576182953796 0.25000000000000 144.242 > 5 6 Nd 0.90780863914397 0.31204680960601 0.25000000000000 144.242 > 6 *7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 > 7 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 > 8 *9 Cl 0.18821448646823 0.24803638509617 0.25000000000000 35.453 > 9 10 Cl 0.94017810137206 0.18821448646823 0.75000000000000 35.453 > 10 11 Cl 0.24803638509617 0.05982189862794 0.75000000000000 35.453 > 11 12 Cl 0.05982189862794 0.81178551353177 0.25000000000000 35.453 > 12 13 Cl 0.75196361490383 0.94017810137206 0.25000000000000 35.453 > 13 14 Cl 0.81178551353177 0.75196361490383 0.75000000000000 35.453 > 14 *15 O 0.63554127713373 0.15000414798889 0.50401138262777 15.999 > 15 16 O 0.15000414798889 0.51446287085516 0.00401138262777 15.999 > 16 17 O 0.51446287085516 0.36445872286627 0.99598861737223 15.999 > 17 18 O 0.84999585201111 0.48553712914484 0.99598861737223 15.999 > 18 19 O 0.36445872286627 0.84999585201111 0.00401138262777 15.999 > 19 20 O 0.48553712914484 0.63554127713373 0.49598861737223 15.999 > 20 21 O 0.36445872286627 0.84999585201111 0.49598861737223 15.999 > 21 22 O 0.48553712914484 0.63554127713373 0.00401138262777 15.999 > 22 23 O 0.84999585201111 0.48553712914484 0.50401138262777 15.999 > 23 24 O 0.15000414798889 0.51446287085516 0.49598861737223 15.999 > 24 25 O 0.51446287085516 0.36445872286627 0.50401138262777 15.999 > 25 26 O 0.63554127713373 0.15000414798889 0.99598861737223 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.300897649994702 0.000000000000000 0.000000000000000 b -4.650448824997351 8.054813642894398 0.000000000000000 c 0.000000000000000 0.000000000000000 11.011899460000000 Atomic positions (fractional): *1 Nd 0.59576182953796 0.90780863914397 0.37500000000000 144.242 > 1 2 Nd 0.59576182953796 0.90780863914397 0.87500000000000 144.242 > 1 3 Nd 0.40423817046204 0.09219136085603 0.12500000000000 144.242 > 2 4 Nd 0.40423817046204 0.09219136085603 0.62500000000000 144.242 > 2 5 Nd 0.09219136085603 0.68795319039399 0.37500000000000 144.242 > 3 6 Nd 0.09219136085603 0.68795319039399 0.87500000000000 144.242 > 3 7 Nd 0.31204680960601 0.40423817046204 0.37500000000000 144.242 > 4 8 Nd 0.31204680960601 0.40423817046204 0.87500000000000 144.242 > 4 9 Nd 0.68795319039399 0.59576182953796 0.12500000000000 144.242 > 5 10 Nd 0.68795319039399 0.59576182953796 0.62500000000000 144.242 > 5 11 Nd 0.90780863914397 0.31204680960601 0.12500000000000 144.242 > 6 12 Nd 0.90780863914397 0.31204680960601 0.62500000000000 144.242 > 6 *13 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 7 14 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 7 15 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 8 16 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 8 *17 Cl 0.18821448646823 0.24803638509617 0.12500000000000 35.453 > 9 18 Cl 0.18821448646823 0.24803638509617 0.62500000000000 35.453 > 9 19 Cl 0.94017810137206 0.18821448646823 0.37500000000000 35.453 > 10 20 Cl 0.94017810137206 0.18821448646823 0.87500000000000 35.453 > 10 21 Cl 0.24803638509617 0.05982189862794 0.37500000000000 35.453 > 11 22 Cl 0.24803638509617 0.05982189862794 0.87500000000000 35.453 > 11 23 Cl 0.05982189862794 0.81178551353177 0.12500000000000 35.453 > 12 24 Cl 0.05982189862794 0.81178551353177 0.62500000000000 35.453 > 12 25 Cl 0.75196361490383 0.94017810137206 0.12500000000000 35.453 > 13 26 Cl 0.75196361490383 0.94017810137206 0.62500000000000 35.453 > 13 27 Cl 0.81178551353177 0.75196361490383 0.37500000000000 35.453 > 14 28 Cl 0.81178551353177 0.75196361490383 0.87500000000000 35.453 > 14 *29 O 0.63554127713373 0.15000414798889 0.25200569131389 15.999 > 15 30 O 0.63554127713373 0.15000414798889 0.75200569131389 15.999 > 15 31 O 0.15000414798889 0.51446287085516 0.00200569131389 15.999 > 16 32 O 0.15000414798889 0.51446287085516 0.50200569131389 15.999 > 16 33 O 0.51446287085516 0.36445872286627 0.49799430868611 15.999 > 17 34 O 0.51446287085516 0.36445872286627 0.99799430868611 15.999 > 17 35 O 0.84999585201111 0.48553712914484 0.49799430868611 15.999 > 18 36 O 0.84999585201111 0.48553712914484 0.99799430868611 15.999 > 18 37 O 0.36445872286627 0.84999585201111 0.00200569131389 15.999 > 19 38 O 0.36445872286627 0.84999585201111 0.50200569131389 15.999 > 19 39 O 0.48553712914484 0.63554127713373 0.24799430868611 15.999 > 20 40 O 0.48553712914484 0.63554127713373 0.74799430868611 15.999 > 20 41 O 0.36445872286627 0.84999585201111 0.24799430868611 15.999 > 21 42 O 0.36445872286627 0.84999585201111 0.74799430868611 15.999 > 21 43 O 0.48553712914484 0.63554127713373 0.00200569131389 15.999 > 22 44 O 0.48553712914484 0.63554127713373 0.50200569131389 15.999 > 22 45 O 0.84999585201111 0.48553712914484 0.25200569131389 15.999 > 23 46 O 0.84999585201111 0.48553712914484 0.75200569131389 15.999 > 23 47 O 0.15000414798889 0.51446287085516 0.24799430868611 15.999 > 24 48 O 0.15000414798889 0.51446287085516 0.74799430868611 15.999 > 24 49 O 0.51446287085516 0.36445872286627 0.25200569131389 15.999 > 25 50 O 0.51446287085516 0.36445872286627 0.75200569131389 15.999 > 25 51 O 0.63554127713373 0.15000414798889 0.49799430868611 15.999 > 26 52 O 0.63554127713373 0.15000414798889 0.99799430868611 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1420530 0.0000009 0.0000000 -0.0000009 5.1420530 0.0000000 0.0000000 0.0000000 5.3746981 -------------------------- Born effective charges -------------------------- 1 Nd 3.5170015 0.0531308 -0.0000000 0.2697074 4.8339157 -0.0000000 -0.0000000 0.0000000 4.4848910 2 Nd 3.5170015 0.0531308 -0.0000000 0.2697074 4.8339157 -0.0000000 -0.0000000 0.0000000 4.4848910 3 Nd 4.6444802 0.3812427 -0.0000000 0.5978193 3.7064370 -0.0000000 -0.0000000 0.0000000 4.4848910 4 Nd 4.3648941 -0.7592384 -0.0000000 -0.5426618 3.9860231 -0.0000000 -0.0000000 0.0000000 4.4848910 5 Nd 4.3648941 -0.7592384 -0.0000000 -0.5426618 3.9860231 -0.0000000 -0.0000000 0.0000000 4.4848910 6 Nd 4.6444802 0.3812427 -0.0000000 0.5978193 3.7064370 -0.0000000 -0.0000000 0.0000000 4.4848910 7 U 6.0325797 0.2448443 -0.0000000 -0.2448443 6.0325797 -0.0000000 -0.0000000 0.0000000 6.8984415 8 U 6.0325797 0.2448443 -0.0000000 -0.2448443 6.0325797 -0.0000000 -0.0000000 0.0000000 6.8984415 9 Cl -1.7421211 0.3564950 -0.0000000 0.3854877 -1.1612580 -0.0000000 -0.0000000 0.0000000 -1.4286973 10 Cl -1.6277617 -0.4515131 -0.0000000 -0.4225205 -1.2756174 -0.0000000 -0.0000000 0.0000000 -1.4286973 11 Cl -0.9851858 0.0515291 -0.0000000 0.0805218 -1.9181933 -0.0000000 -0.0000000 0.0000000 -1.4286973 12 Cl -1.6277617 -0.4515131 -0.0000000 -0.4225205 -1.2756174 -0.0000000 -0.0000000 0.0000000 -1.4286973 13 Cl -0.9851858 0.0515291 -0.0000000 0.0805218 -1.9181933 -0.0000000 -0.0000000 0.0000000 -1.4286973 14 Cl -1.7421211 0.3564950 -0.0000000 0.3854877 -1.1612580 -0.0000000 -0.0000000 0.0000000 -1.4286973 15 O -1.9648714 0.1490652 0.1043544 0.1078953 -2.7697576 -0.8302798 -0.0282742 -0.9106017 -2.6778371 16 O -2.4572689 -0.3921811 -0.6668662 -0.4333510 -2.2773601 -0.5055135 -0.8027413 -0.4308147 -2.6778371 17 O -2.6798032 0.3048708 0.7712206 0.2637009 -2.0548258 -0.3247664 0.7744672 -0.4797870 -2.6778371 18 O -2.4572689 -0.3921811 -0.6668662 -0.4333510 -2.2773601 -0.5055135 -0.8027413 -0.4308147 -2.6778371 19 O -1.9648714 0.1490652 -0.1043544 0.1078953 -2.7697576 0.8302798 0.0282742 0.9106017 -2.6778371 20 O -2.6798032 0.3048708 -0.7712206 0.2637009 -2.0548258 0.3247664 -0.7744672 0.4797870 -2.6778371 21 O -1.9648714 0.1490652 0.1043544 0.1078953 -2.7697576 -0.8302798 -0.0282742 -0.9106017 -2.6778371 22 O -2.6798032 0.3048708 0.7712206 0.2637009 -2.0548258 -0.3247664 0.7744672 -0.4797870 -2.6778371 23 O -2.4572689 -0.3921811 0.6668662 -0.4333510 -2.2773601 0.5055135 0.8027413 0.4308147 -2.6778371 24 O -2.4572689 -0.3921811 0.6668662 -0.4333510 -2.2773601 0.5055135 0.8027413 0.4308147 -2.6778371 25 O -2.6798032 0.3048708 -0.7712206 0.2637009 -2.0548258 0.3247664 -0.7744672 0.4797870 -2.6778371 26 O -1.9648714 0.1490652 -0.1043544 0.1078953 -2.7697576 0.8302798 0.0282742 0.9106017 -2.6778371 ---------------------------------------------------------------------------- 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: 156/156 Permutation basis: 6162/6162 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 245 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 271 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (536, 515), data: False |-- (73, 69), data: True |-- (192, 188), data: True |-- (271, 258), data: True ----- Solver_atoms: 1 -- 52 / 52 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.254 Solver_block: 200 / 320 - Time: 0.318 Solver_block: 300 / 320 - Time: 0.265 Solver_block: 320 / 320 - Time: 0.062 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.914 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 156/156 Permutation basis: 6162/6162 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 245 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 271 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (536, 515), data: False |-- (73, 69), data: True |-- (192, 188), data: True |-- (271, 258), 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 2026-01-08 14:15:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:15:44]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.300897649994702 0.000000000000000 0.000000000000000 b -4.650448824997351 8.054813642894398 0.000000000000000 c 0.000000000000000 0.000000000000000 5.505949730000000 Atomic positions (fractional): 1 Nd 0.59576182953796 0.90780863914397 0.75000000000000 144.242 2 Nd 0.40423817046204 0.09219136085603 0.25000000000000 144.242 3 Nd 0.09219136085603 0.68795319039399 0.75000000000000 144.242 4 Nd 0.31204680960601 0.40423817046204 0.75000000000000 144.242 5 Nd 0.68795319039399 0.59576182953796 0.25000000000000 144.242 6 Nd 0.90780863914397 0.31204680960601 0.25000000000000 144.242 7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 9 Cl 0.18821448646823 0.24803638509617 0.25000000000000 35.453 10 Cl 0.94017810137206 0.18821448646823 0.75000000000000 35.453 11 Cl 0.24803638509617 0.05982189862794 0.75000000000000 35.453 12 Cl 0.05982189862794 0.81178551353177 0.25000000000000 35.453 13 Cl 0.75196361490383 0.94017810137206 0.25000000000000 35.453 14 Cl 0.81178551353177 0.75196361490383 0.75000000000000 35.453 15 O 0.63554127713373 0.15000414798889 0.50401138262777 15.999 16 O 0.15000414798889 0.51446287085516 0.00401138262777 15.999 17 O 0.51446287085516 0.36445872286627 0.99598861737223 15.999 18 O 0.84999585201111 0.48553712914484 0.99598861737223 15.999 19 O 0.36445872286627 0.84999585201111 0.00401138262777 15.999 20 O 0.48553712914484 0.63554127713373 0.49598861737223 15.999 21 O 0.36445872286627 0.84999585201111 0.49598861737223 15.999 22 O 0.48553712914484 0.63554127713373 0.00401138262777 15.999 23 O 0.84999585201111 0.48553712914484 0.50401138262777 15.999 24 O 0.15000414798889 0.51446287085516 0.49598861737223 15.999 25 O 0.51446287085516 0.36445872286627 0.50401138262777 15.999 26 O 0.63554127713373 0.15000414798889 0.99598861737223 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.300897649994702 0.000000000000000 0.000000000000000 b -4.650448824997351 8.054813642894398 0.000000000000000 c 0.000000000000000 0.000000000000000 11.011899460000000 Atomic positions (fractional): 1 Nd 0.59576182953796 0.90780863914397 0.37500000000000 144.242 > 1 2 Nd 0.59576182953796 0.90780863914397 0.87500000000000 144.242 > 1 3 Nd 0.40423817046204 0.09219136085603 0.12500000000000 144.242 > 3 4 Nd 0.40423817046204 0.09219136085603 0.62500000000000 144.242 > 3 5 Nd 0.09219136085603 0.68795319039399 0.37500000000000 144.242 > 5 6 Nd 0.09219136085603 0.68795319039399 0.87500000000000 144.242 > 5 7 Nd 0.31204680960601 0.40423817046204 0.37500000000000 144.242 > 7 8 Nd 0.31204680960601 0.40423817046204 0.87500000000000 144.242 > 7 9 Nd 0.68795319039399 0.59576182953796 0.12500000000000 144.242 > 9 10 Nd 0.68795319039399 0.59576182953796 0.62500000000000 144.242 > 9 11 Nd 0.90780863914397 0.31204680960601 0.12500000000000 144.242 > 11 12 Nd 0.90780863914397 0.31204680960601 0.62500000000000 144.242 > 11 13 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 13 14 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 13 15 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 15 16 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 15 17 Cl 0.18821448646823 0.24803638509617 0.12500000000000 35.453 > 17 18 Cl 0.18821448646823 0.24803638509617 0.62500000000000 35.453 > 17 19 Cl 0.94017810137206 0.18821448646823 0.37500000000000 35.453 > 19 20 Cl 0.94017810137206 0.18821448646823 0.87500000000000 35.453 > 19 21 Cl 0.24803638509617 0.05982189862794 0.37500000000000 35.453 > 21 22 Cl 0.24803638509617 0.05982189862794 0.87500000000000 35.453 > 21 23 Cl 0.05982189862794 0.81178551353177 0.12500000000000 35.453 > 23 24 Cl 0.05982189862794 0.81178551353177 0.62500000000000 35.453 > 23 25 Cl 0.75196361490383 0.94017810137206 0.12500000000000 35.453 > 25 26 Cl 0.75196361490383 0.94017810137206 0.62500000000000 35.453 > 25 27 Cl 0.81178551353177 0.75196361490383 0.37500000000000 35.453 > 27 28 Cl 0.81178551353177 0.75196361490383 0.87500000000000 35.453 > 27 29 O 0.63554127713373 0.15000414798889 0.25200569131389 15.999 > 29 30 O 0.63554127713373 0.15000414798889 0.75200569131389 15.999 > 29 31 O 0.15000414798889 0.51446287085516 0.00200569131389 15.999 > 31 32 O 0.15000414798889 0.51446287085516 0.50200569131389 15.999 > 31 33 O 0.51446287085516 0.36445872286627 0.49799430868611 15.999 > 33 34 O 0.51446287085516 0.36445872286627 0.99799430868611 15.999 > 33 35 O 0.84999585201111 0.48553712914484 0.49799430868611 15.999 > 35 36 O 0.84999585201111 0.48553712914484 0.99799430868611 15.999 > 35 37 O 0.36445872286627 0.84999585201111 0.00200569131389 15.999 > 37 38 O 0.36445872286627 0.84999585201111 0.50200569131389 15.999 > 37 39 O 0.48553712914484 0.63554127713373 0.24799430868611 15.999 > 39 40 O 0.48553712914484 0.63554127713373 0.74799430868611 15.999 > 39 41 O 0.36445872286627 0.84999585201111 0.24799430868611 15.999 > 41 42 O 0.36445872286627 0.84999585201111 0.74799430868611 15.999 > 41 43 O 0.48553712914484 0.63554127713373 0.00200569131389 15.999 > 43 44 O 0.48553712914484 0.63554127713373 0.50200569131389 15.999 > 43 45 O 0.84999585201111 0.48553712914484 0.25200569131389 15.999 > 45 46 O 0.84999585201111 0.48553712914484 0.75200569131389 15.999 > 45 47 O 0.15000414798889 0.51446287085516 0.24799430868611 15.999 > 47 48 O 0.15000414798889 0.51446287085516 0.74799430868611 15.999 > 47 49 O 0.51446287085516 0.36445872286627 0.25200569131389 15.999 > 49 50 O 0.51446287085516 0.36445872286627 0.75200569131389 15.999 > 49 51 O 0.63554127713373 0.15000414798889 0.49799430868611 15.999 > 51 52 O 0.63554127713373 0.15000414798889 0.99799430868611 15.999 > 51 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1420530 0.0000009 0.0000000 -0.0000009 5.1420530 0.0000000 0.0000000 0.0000000 5.3746981 -------------------------- Born effective charges -------------------------- 1 Nd 3.5170015 0.0531308 -0.0000000 0.2697074 4.8339157 -0.0000000 -0.0000000 0.0000000 4.4848910 2 Nd 3.5170015 0.0531308 -0.0000000 0.2697074 4.8339157 -0.0000000 -0.0000000 0.0000000 4.4848910 3 Nd 4.6444802 0.3812427 -0.0000000 0.5978193 3.7064370 -0.0000000 -0.0000000 0.0000000 4.4848910 4 Nd 4.3648941 -0.7592384 -0.0000000 -0.5426618 3.9860231 -0.0000000 -0.0000000 0.0000000 4.4848910 5 Nd 4.3648941 -0.7592384 -0.0000000 -0.5426618 3.9860231 -0.0000000 -0.0000000 0.0000000 4.4848910 6 Nd 4.6444802 0.3812427 -0.0000000 0.5978193 3.7064370 -0.0000000 -0.0000000 0.0000000 4.4848910 7 U 6.0325797 0.2448443 -0.0000000 -0.2448443 6.0325797 -0.0000000 -0.0000000 0.0000000 6.8984415 8 U 6.0325797 0.2448443 -0.0000000 -0.2448443 6.0325797 -0.0000000 -0.0000000 0.0000000 6.8984415 9 Cl -1.7421211 0.3564950 -0.0000000 0.3854877 -1.1612580 -0.0000000 -0.0000000 0.0000000 -1.4286973 10 Cl -1.6277617 -0.4515131 -0.0000000 -0.4225205 -1.2756174 -0.0000000 -0.0000000 0.0000000 -1.4286973 11 Cl -0.9851858 0.0515291 -0.0000000 0.0805218 -1.9181933 -0.0000000 -0.0000000 0.0000000 -1.4286973 12 Cl -1.6277617 -0.4515131 -0.0000000 -0.4225205 -1.2756174 -0.0000000 -0.0000000 0.0000000 -1.4286973 13 Cl -0.9851858 0.0515291 -0.0000000 0.0805218 -1.9181933 -0.0000000 -0.0000000 0.0000000 -1.4286973 14 Cl -1.7421211 0.3564950 -0.0000000 0.3854877 -1.1612580 -0.0000000 -0.0000000 0.0000000 -1.4286973 15 O -1.9648714 0.1490652 0.1043544 0.1078953 -2.7697576 -0.8302798 -0.0282742 -0.9106017 -2.6778371 16 O -2.4572689 -0.3921811 -0.6668662 -0.4333510 -2.2773601 -0.5055135 -0.8027413 -0.4308147 -2.6778371 17 O -2.6798032 0.3048708 0.7712206 0.2637009 -2.0548258 -0.3247664 0.7744672 -0.4797870 -2.6778371 18 O -2.4572689 -0.3921811 -0.6668662 -0.4333510 -2.2773601 -0.5055135 -0.8027413 -0.4308147 -2.6778371 19 O -1.9648714 0.1490652 -0.1043544 0.1078953 -2.7697576 0.8302798 0.0282742 0.9106017 -2.6778371 20 O -2.6798032 0.3048708 -0.7712206 0.2637009 -2.0548258 0.3247664 -0.7744672 0.4797870 -2.6778371 21 O -1.9648714 0.1490652 0.1043544 0.1078953 -2.7697576 -0.8302798 -0.0282742 -0.9106017 -2.6778371 22 O -2.6798032 0.3048708 0.7712206 0.2637009 -2.0548258 -0.3247664 0.7744672 -0.4797870 -2.6778371 23 O -2.4572689 -0.3921811 0.6668662 -0.4333510 -2.2773601 0.5055135 0.8027413 0.4308147 -2.6778371 24 O -2.4572689 -0.3921811 0.6668662 -0.4333510 -2.2773601 0.5055135 0.8027413 0.4308147 -2.6778371 25 O -2.6798032 0.3048708 -0.7712206 0.2637009 -2.0548258 0.3247664 -0.7744672 0.4797870 -2.6778371 26 O -1.9648714 0.1490652 -0.1043544 0.1078953 -2.7697576 0.8302798 0.0282742 0.9106017 -2.6778371 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:15:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:15:50]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.300897649994702 0.000000000000000 0.000000000000000 b -4.650448824997351 8.054813642894398 0.000000000000000 c 0.000000000000000 0.000000000000000 5.505949730000000 Atomic positions (fractional): 1 Nd 0.59576182953796 0.90780863914397 0.75000000000000 144.242 2 Nd 0.40423817046204 0.09219136085603 0.25000000000000 144.242 3 Nd 0.09219136085603 0.68795319039399 0.75000000000000 144.242 4 Nd 0.31204680960601 0.40423817046204 0.75000000000000 144.242 5 Nd 0.68795319039399 0.59576182953796 0.25000000000000 144.242 6 Nd 0.90780863914397 0.31204680960601 0.25000000000000 144.242 7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 9 Cl 0.18821448646823 0.24803638509617 0.25000000000000 35.453 10 Cl 0.94017810137206 0.18821448646823 0.75000000000000 35.453 11 Cl 0.24803638509617 0.05982189862794 0.75000000000000 35.453 12 Cl 0.05982189862794 0.81178551353177 0.25000000000000 35.453 13 Cl 0.75196361490383 0.94017810137206 0.25000000000000 35.453 14 Cl 0.81178551353177 0.75196361490383 0.75000000000000 35.453 15 O 0.63554127713373 0.15000414798889 0.50401138262777 15.999 16 O 0.15000414798889 0.51446287085516 0.00401138262777 15.999 17 O 0.51446287085516 0.36445872286627 0.99598861737223 15.999 18 O 0.84999585201111 0.48553712914484 0.99598861737223 15.999 19 O 0.36445872286627 0.84999585201111 0.00401138262777 15.999 20 O 0.48553712914484 0.63554127713373 0.49598861737223 15.999 21 O 0.36445872286627 0.84999585201111 0.49598861737223 15.999 22 O 0.48553712914484 0.63554127713373 0.00401138262777 15.999 23 O 0.84999585201111 0.48553712914484 0.50401138262777 15.999 24 O 0.15000414798889 0.51446287085516 0.49598861737223 15.999 25 O 0.51446287085516 0.36445872286627 0.50401138262777 15.999 26 O 0.63554127713373 0.15000414798889 0.99598861737223 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.300897649994702 0.000000000000000 0.000000000000000 b -4.650448824997351 8.054813642894398 0.000000000000000 c 0.000000000000000 0.000000000000000 11.011899460000000 Atomic positions (fractional): 1 Nd 0.59576182953796 0.90780863914397 0.37500000000000 144.242 > 1 2 Nd 0.59576182953796 0.90780863914397 0.87500000000000 144.242 > 1 3 Nd 0.40423817046204 0.09219136085603 0.12500000000000 144.242 > 3 4 Nd 0.40423817046204 0.09219136085603 0.62500000000000 144.242 > 3 5 Nd 0.09219136085603 0.68795319039399 0.37500000000000 144.242 > 5 6 Nd 0.09219136085603 0.68795319039399 0.87500000000000 144.242 > 5 7 Nd 0.31204680960601 0.40423817046204 0.37500000000000 144.242 > 7 8 Nd 0.31204680960601 0.40423817046204 0.87500000000000 144.242 > 7 9 Nd 0.68795319039399 0.59576182953796 0.12500000000000 144.242 > 9 10 Nd 0.68795319039399 0.59576182953796 0.62500000000000 144.242 > 9 11 Nd 0.90780863914397 0.31204680960601 0.12500000000000 144.242 > 11 12 Nd 0.90780863914397 0.31204680960601 0.62500000000000 144.242 > 11 13 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 13 14 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 13 15 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 15 16 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 15 17 Cl 0.18821448646823 0.24803638509617 0.12500000000000 35.453 > 17 18 Cl 0.18821448646823 0.24803638509617 0.62500000000000 35.453 > 17 19 Cl 0.94017810137206 0.18821448646823 0.37500000000000 35.453 > 19 20 Cl 0.94017810137206 0.18821448646823 0.87500000000000 35.453 > 19 21 Cl 0.24803638509617 0.05982189862794 0.37500000000000 35.453 > 21 22 Cl 0.24803638509617 0.05982189862794 0.87500000000000 35.453 > 21 23 Cl 0.05982189862794 0.81178551353177 0.12500000000000 35.453 > 23 24 Cl 0.05982189862794 0.81178551353177 0.62500000000000 35.453 > 23 25 Cl 0.75196361490383 0.94017810137206 0.12500000000000 35.453 > 25 26 Cl 0.75196361490383 0.94017810137206 0.62500000000000 35.453 > 25 27 Cl 0.81178551353177 0.75196361490383 0.37500000000000 35.453 > 27 28 Cl 0.81178551353177 0.75196361490383 0.87500000000000 35.453 > 27 29 O 0.63554127713373 0.15000414798889 0.25200569131389 15.999 > 29 30 O 0.63554127713373 0.15000414798889 0.75200569131389 15.999 > 29 31 O 0.15000414798889 0.51446287085516 0.00200569131389 15.999 > 31 32 O 0.15000414798889 0.51446287085516 0.50200569131389 15.999 > 31 33 O 0.51446287085516 0.36445872286627 0.49799430868611 15.999 > 33 34 O 0.51446287085516 0.36445872286627 0.99799430868611 15.999 > 33 35 O 0.84999585201111 0.48553712914484 0.49799430868611 15.999 > 35 36 O 0.84999585201111 0.48553712914484 0.99799430868611 15.999 > 35 37 O 0.36445872286627 0.84999585201111 0.00200569131389 15.999 > 37 38 O 0.36445872286627 0.84999585201111 0.50200569131389 15.999 > 37 39 O 0.48553712914484 0.63554127713373 0.24799430868611 15.999 > 39 40 O 0.48553712914484 0.63554127713373 0.74799430868611 15.999 > 39 41 O 0.36445872286627 0.84999585201111 0.24799430868611 15.999 > 41 42 O 0.36445872286627 0.84999585201111 0.74799430868611 15.999 > 41 43 O 0.48553712914484 0.63554127713373 0.00200569131389 15.999 > 43 44 O 0.48553712914484 0.63554127713373 0.50200569131389 15.999 > 43 45 O 0.84999585201111 0.48553712914484 0.25200569131389 15.999 > 45 46 O 0.84999585201111 0.48553712914484 0.75200569131389 15.999 > 45 47 O 0.15000414798889 0.51446287085516 0.24799430868611 15.999 > 47 48 O 0.15000414798889 0.51446287085516 0.74799430868611 15.999 > 47 49 O 0.51446287085516 0.36445872286627 0.25200569131389 15.999 > 49 50 O 0.51446287085516 0.36445872286627 0.75200569131389 15.999 > 49 51 O 0.63554127713373 0.15000414798889 0.49799430868611 15.999 > 51 52 O 0.63554127713373 0.15000414798889 0.99799430868611 15.999 > 51 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1420530 0.0000009 0.0000000 -0.0000009 5.1420530 0.0000000 0.0000000 0.0000000 5.3746981 -------------------------- Born effective charges -------------------------- 1 Nd 3.5170015 0.0531308 -0.0000000 0.2697074 4.8339157 -0.0000000 -0.0000000 0.0000000 4.4848910 2 Nd 3.5170015 0.0531308 -0.0000000 0.2697074 4.8339157 -0.0000000 -0.0000000 0.0000000 4.4848910 3 Nd 4.6444802 0.3812427 -0.0000000 0.5978193 3.7064370 -0.0000000 -0.0000000 0.0000000 4.4848910 4 Nd 4.3648941 -0.7592384 -0.0000000 -0.5426618 3.9860231 -0.0000000 -0.0000000 0.0000000 4.4848910 5 Nd 4.3648941 -0.7592384 -0.0000000 -0.5426618 3.9860231 -0.0000000 -0.0000000 0.0000000 4.4848910 6 Nd 4.6444802 0.3812427 -0.0000000 0.5978193 3.7064370 -0.0000000 -0.0000000 0.0000000 4.4848910 7 U 6.0325797 0.2448443 -0.0000000 -0.2448443 6.0325797 -0.0000000 -0.0000000 0.0000000 6.8984415 8 U 6.0325797 0.2448443 -0.0000000 -0.2448443 6.0325797 -0.0000000 -0.0000000 0.0000000 6.8984415 9 Cl -1.7421211 0.3564950 -0.0000000 0.3854877 -1.1612580 -0.0000000 -0.0000000 0.0000000 -1.4286973 10 Cl -1.6277617 -0.4515131 -0.0000000 -0.4225205 -1.2756174 -0.0000000 -0.0000000 0.0000000 -1.4286973 11 Cl -0.9851858 0.0515291 -0.0000000 0.0805218 -1.9181933 -0.0000000 -0.0000000 0.0000000 -1.4286973 12 Cl -1.6277617 -0.4515131 -0.0000000 -0.4225205 -1.2756174 -0.0000000 -0.0000000 0.0000000 -1.4286973 13 Cl -0.9851858 0.0515291 -0.0000000 0.0805218 -1.9181933 -0.0000000 -0.0000000 0.0000000 -1.4286973 14 Cl -1.7421211 0.3564950 -0.0000000 0.3854877 -1.1612580 -0.0000000 -0.0000000 0.0000000 -1.4286973 15 O -1.9648714 0.1490652 0.1043544 0.1078953 -2.7697576 -0.8302798 -0.0282742 -0.9106017 -2.6778371 16 O -2.4572689 -0.3921811 -0.6668662 -0.4333510 -2.2773601 -0.5055135 -0.8027413 -0.4308147 -2.6778371 17 O -2.6798032 0.3048708 0.7712206 0.2637009 -2.0548258 -0.3247664 0.7744672 -0.4797870 -2.6778371 18 O -2.4572689 -0.3921811 -0.6668662 -0.4333510 -2.2773601 -0.5055135 -0.8027413 -0.4308147 -2.6778371 19 O -1.9648714 0.1490652 -0.1043544 0.1078953 -2.7697576 0.8302798 0.0282742 0.9106017 -2.6778371 20 O -2.6798032 0.3048708 -0.7712206 0.2637009 -2.0548258 0.3247664 -0.7744672 0.4797870 -2.6778371 21 O -1.9648714 0.1490652 0.1043544 0.1078953 -2.7697576 -0.8302798 -0.0282742 -0.9106017 -2.6778371 22 O -2.6798032 0.3048708 0.7712206 0.2637009 -2.0548258 -0.3247664 0.7744672 -0.4797870 -2.6778371 23 O -2.4572689 -0.3921811 0.6668662 -0.4333510 -2.2773601 0.5055135 0.8027413 0.4308147 -2.6778371 24 O -2.4572689 -0.3921811 0.6668662 -0.4333510 -2.2773601 0.5055135 0.8027413 0.4308147 -2.6778371 25 O -2.6798032 0.3048708 -0.7712206 0.2637009 -2.0548258 0.3247664 -0.7744672 0.4797870 -2.6778371 26 O -1.9648714 0.1490652 -0.1043544 0.1078953 -2.7697576 0.8302798 0.0282742 0.9106017 -2.6778371 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (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 ... [ 6 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 271, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.670 ( 0.000 0.000 0.000) 0.000 12.670 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 14.790 ( 0.000 0.000 0.000) 0.000 14.790 ( 0.000 0.000 0.000) 0.000 15.076 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.842 ( 0.000 0.000 0.000) 0.000 15.842 ( 0.000 0.000 0.000) 0.000 16.531 ( 0.000 0.000 0.000) 0.000 17.641 ( 0.000 0.000 0.000) 0.000 17.641 ( 0.000 0.000 0.000) 0.000 20.974 ( 0.000 0.000 0.000) 0.000 21.161 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 18.513 10.699 0.000) 21.382 0.487 ( 19.771 11.415 0.000) 22.830 0.944 ( 37.727 21.733 0.000) 43.539 2.090 ( -9.826 -5.673 0.000) 11.346 2.190 ( -1.505 0.078 0.000) 1.507 2.221 ( 1.819 0.086 0.000) 1.821 2.492 ( -3.200 -3.857 0.000) 5.012 2.562 ( -9.291 -1.379 0.000) 9.393 2.686 ( -0.074 -0.088 0.000) 0.115 2.788 ( 6.639 3.890 0.000) 7.694 2.792 ( -3.234 -4.420 0.000) 5.476 2.946 ( 2.316 -0.456 0.000) 2.360 3.098 ( 1.298 5.923 0.000) 6.064 3.177 ( 8.473 2.319 0.000) 8.784 3.210 ( -4.369 -2.482 0.000) 5.024 3.281 ( -1.585 -1.001 0.000) 1.875 3.493 ( -2.190 -2.796 0.000) 3.552 3.516 ( 5.283 3.083 0.000) 6.116 3.555 ( 0.113 1.480 0.000) 1.484 3.913 ( -3.571 -1.756 0.000) 3.980 4.034 ( -3.932 -2.329 0.000) 4.570 4.044 ( -5.998 -3.560 0.000) 6.975 4.152 ( -2.047 -1.490 0.000) 2.532 4.242 ( -1.327 -0.322 0.000) 1.365 4.306 ( 2.690 1.544 0.000) 3.102 4.395 ( 5.862 2.839 0.000) 6.513 4.495 ( -0.644 -1.522 0.000) 1.653 4.566 ( -6.823 -3.738 0.000) 7.780 4.613 ( 0.039 1.095 0.000) 1.096 4.745 ( -4.263 0.745 0.000) 4.327 4.798 ( 1.159 -2.359 0.000) 2.628 5.116 ( -1.576 -1.141 0.000) 1.946 5.132 ( -1.584 -0.697 0.000) 1.731 5.163 ( 0.788 0.233 0.000) 0.822 5.448 ( 0.079 0.134 0.000) 0.155 5.508 ( -3.552 -2.126 0.000) 4.139 5.751 ( 1.744 1.067 0.000) 2.044 5.773 ( 0.916 0.530 0.000) 1.058 5.973 ( -10.568 -5.805 0.000) 12.057 5.975 ( 0.127 -0.072 0.000) 0.146 6.058 ( 0.488 0.662 0.000) 0.823 6.068 ( -5.715 -3.355 0.000) 6.627 6.100 ( 3.709 1.910 0.000) 4.172 6.485 ( 4.057 0.095 0.000) 4.059 6.523 ( 5.870 5.504 0.000) 8.047 6.678 ( -2.603 -1.511 0.000) 3.010 7.179 ( 18.063 10.397 0.000) 20.842 8.884 ( -6.998 -4.040 0.000) 8.080 9.074 ( 1.909 1.245 0.000) 2.279 9.178 ( 2.129 1.043 0.000) 2.371 9.829 ( 0.642 0.371 0.000) 0.741 9.906 ( -6.628 -3.817 0.000) 7.648 9.908 ( 6.414 3.704 0.000) 7.407 10.234 ( -1.052 -0.616 0.000) 1.219 10.440 ( -0.247 -0.127 0.000) 0.277 10.841 ( -2.479 -1.518 0.000) 2.907 10.861 ( -0.758 -0.359 0.000) 0.838 11.124 ( 3.852 2.314 0.000) 4.494 11.885 ( -2.685 -1.564 0.000) 3.108 11.903 ( -0.984 -0.529 0.000) 1.117 12.265 ( -0.138 -1.070 0.000) 1.079 12.305 ( 2.276 2.256 0.000) 3.205 12.665 ( -0.318 -0.185 0.000) 0.368 12.758 ( 7.155 4.132 0.000) 8.262 13.497 ( -14.259 -8.269 0.000) 16.484 14.029 ( 5.381 3.130 0.000) 6.225 14.186 ( 13.703 7.930 0.000) 15.832 14.511 ( -17.541 -10.127 0.000) 20.254 14.794 ( 0.301 0.174 0.000) 0.348 15.052 ( -2.095 -1.321 0.000) 2.477 15.529 ( 13.490 7.788 0.000) 15.577 15.860 ( 1.530 0.947 0.000) 1.800 16.495 ( -2.976 -1.718 0.000) 3.437 17.430 ( -13.289 -7.005 0.000) 15.022 17.665 ( 2.378 0.316 0.000) 2.399 17.969 ( 4.636 3.073 0.000) 5.562 20.994 ( 1.577 0.917 0.000) 1.824 21.160 ( -0.125 -0.072 0.000) 0.144 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 14.077 8.161 0.000) 16.272 0.928 ( 16.594 9.584 0.000) 19.163 1.729 ( 25.826 13.408 0.000) 29.099 1.819 ( -11.990 -6.922 0.000) 13.844 2.124 ( -7.198 0.574 0.000) 7.221 2.271 ( 6.017 -1.940 0.000) 6.322 2.392 ( -2.306 -2.746 0.000) 3.586 2.420 ( -6.241 3.235 0.000) 7.030 2.681 ( -0.139 -0.265 0.000) 0.300 2.706 ( -0.543 -4.600 0.000) 4.632 2.945 ( 5.521 3.724 0.000) 6.660 2.986 ( 2.761 0.355 0.000) 2.784 3.144 ( -0.891 -0.603 0.000) 1.076 3.194 ( 1.667 5.865 0.000) 6.097 3.228 ( -2.368 -1.841 0.000) 2.999 3.311 ( 2.818 -0.694 0.000) 2.902 3.453 ( 1.742 -2.054 0.000) 2.693 3.510 ( -7.095 -1.325 0.000) 7.218 3.632 ( 4.175 2.697 0.000) 4.970 3.781 ( -4.838 -3.284 0.000) 5.847 3.908 ( -6.230 -1.819 0.000) 6.490 3.915 ( -4.753 -3.259 0.000) 5.763 4.115 ( -0.056 -1.506 0.000) 1.507 4.210 ( -2.842 1.957 0.000) 3.450 4.327 ( -5.886 -7.634 0.000) 9.639 4.343 ( -4.428 0.352 0.000) 4.442 4.455 ( 6.180 -2.087 0.000) 6.523 4.549 ( 2.704 2.633 0.000) 3.774 4.673 ( -3.629 0.866 0.000) 3.731 4.739 ( 3.157 4.009 0.000) 5.103 4.757 ( -0.182 -0.754 0.000) 0.776 5.048 ( -3.156 -3.902 0.000) 5.018 5.097 ( -1.609 -0.012 0.000) 1.609 5.181 ( 1.318 -0.338 0.000) 1.361 5.391 ( -5.150 -3.245 0.000) 6.087 5.446 ( -0.350 0.228 0.000) 0.418 5.796 ( 1.164 0.769 0.000) 1.395 5.806 ( -4.188 -0.985 0.000) 4.302 5.829 ( 3.905 2.065 0.000) 4.417 5.971 ( -0.686 -0.156 0.000) 0.704 5.981 ( -1.572 -1.655 0.000) 2.283 6.074 ( 0.700 0.110 0.000) 0.708 6.189 ( 3.207 2.086 0.000) 3.826 6.529 ( 1.823 -0.827 0.000) 2.002 6.596 ( -3.706 -2.191 0.000) 4.305 6.643 ( 2.411 3.102 0.000) 3.929 7.653 ( 19.622 11.264 0.000) 22.625 8.657 ( -11.481 -6.621 0.000) 13.254 9.099 ( 0.108 0.376 0.000) 0.391 9.289 ( 7.151 3.575 0.000) 7.995 9.709 ( -9.274 -5.203 0.000) 10.633 9.847 ( 0.703 0.405 0.000) 0.812 10.065 ( 5.379 3.152 0.000) 6.235 10.205 ( -1.183 -0.832 0.000) 1.446 10.461 ( 2.516 1.681 0.000) 3.026 10.752 ( -4.655 -3.001 0.000) 5.538 10.844 ( -0.632 -0.176 0.000) 0.656 11.234 ( 4.622 2.999 0.000) 5.510 11.785 ( -4.964 -3.003 0.000) 5.802 11.876 ( -1.084 -0.572 0.000) 1.225 12.259 ( 0.442 -0.749 0.000) 0.870 12.411 ( 5.320 4.110 0.000) 6.723 12.657 ( -0.309 -0.182 0.000) 0.358 12.988 ( 11.137 6.433 0.000) 12.861 13.175 ( -11.877 -7.057 0.000) 13.816 14.080 ( -17.096 -9.871 0.000) 19.741 14.170 ( 5.365 3.142 0.000) 6.217 14.496 ( 11.520 6.917 0.000) 13.437 14.802 ( 0.298 0.172 0.000) 0.344 14.971 ( -4.313 -3.057 0.000) 5.286 15.833 ( 11.083 6.399 0.000) 12.797 15.914 ( 2.591 1.735 0.000) 3.118 16.395 ( -5.093 -2.940 0.000) 5.881 17.118 ( -11.851 -6.292 0.000) 13.418 17.719 ( 2.675 0.358 0.000) 2.699 18.044 ( 1.294 1.398 0.000) 1.905 21.039 ( 1.944 1.143 0.000) 2.255 21.152 ( -0.475 -0.278 0.000) 0.550 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 0.000 0.000) 0.000 1.187 ( 0.000 -0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.988 ( -0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 -0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.087 ( -0.000 0.000 0.000) 0.000 3.145 ( -0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.201 ( -0.000 0.000 0.000) 0.000 4.216 ( 0.000 -0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 -0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 -0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.465 ( 0.000 -0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.186 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 11.306 ( 0.000 0.000 0.000) 0.000 11.707 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 12.260 ( 0.000 0.000 0.000) 0.000 12.509 ( 0.000 0.000 0.000) 0.000 12.653 ( 0.000 0.000 0.000) 0.000 13.002 ( 0.000 0.000 0.000) 0.000 13.174 ( 0.000 0.000 0.000) 0.000 13.821 ( 0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 14.676 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.879 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 15.995 ( 0.000 0.000 0.000) 0.000 16.305 ( 0.000 -0.000 0.000) 0.000 16.960 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 18.059 ( 0.000 0.000 0.000) 0.000 21.068 ( 0.000 0.000 0.000) 0.000 21.143 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/40) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 11.398 19.664 0.000) 22.728 0.819 ( 10.408 18.022 0.000) 20.812 1.510 ( 14.854 26.812 0.000) 30.651 1.897 ( -6.832 -11.836 0.000) 13.666 2.164 ( 2.053 -4.305 0.000) 4.769 2.249 ( -3.061 3.871 0.000) 4.935 2.373 ( -1.598 -3.291 0.000) 3.659 2.533 ( 3.688 -5.981 0.000) 7.026 2.678 ( -0.476 -0.560 0.000) 0.734 2.681 ( -8.822 -2.420 0.000) 9.148 2.909 ( 4.098 6.503 0.000) 7.687 2.940 ( 0.267 0.966 0.000) 1.002 3.155 ( -0.960 -1.697 0.000) 1.950 3.183 ( 5.228 3.286 0.000) 6.175 3.243 ( -1.751 -2.380 0.000) 2.955 3.318 ( 3.459 7.532 0.000) 8.288 3.459 ( -4.069 -1.004 0.000) 4.191 3.546 ( 1.500 -2.191 0.000) 2.656 3.604 ( 2.885 4.660 0.000) 5.481 3.826 ( -3.164 -5.116 0.000) 6.015 3.944 ( -2.679 -7.598 0.000) 8.057 3.956 ( -2.776 -4.017 0.000) 4.883 4.073 ( -3.890 -4.116 0.000) 5.663 4.188 ( -1.632 -5.942 0.000) 6.162 4.357 ( 2.583 1.798 0.000) 3.147 4.430 ( -6.587 -2.561 0.000) 7.067 4.492 ( 4.179 0.766 0.000) 4.249 4.515 ( -8.905 1.909 0.000) 9.108 4.608 ( 9.492 -2.719 0.000) 9.873 4.717 ( -0.399 0.269 0.000) 0.481 4.748 ( -2.027 -1.249 0.000) 2.381 5.112 ( 0.330 -0.962 0.000) 1.017 5.113 ( -1.414 -0.130 0.000) 1.420 5.175 ( -0.410 1.005 0.000) 1.085 5.414 ( -3.928 -6.319 0.000) 7.440 5.435 ( -0.476 -1.620 0.000) 1.688 5.793 ( 1.065 1.291 0.000) 1.673 5.799 ( 1.828 3.754 0.000) 4.175 5.870 ( -0.448 -3.647 0.000) 3.675 5.972 ( -0.089 -0.305 0.000) 0.318 5.992 ( -2.459 -2.525 0.000) 3.525 6.081 ( 0.806 1.643 0.000) 1.830 6.167 ( 2.348 3.781 0.000) 4.451 6.367 ( -3.739 -5.319 0.000) 6.502 6.612 ( -2.726 -4.652 0.000) 5.392 6.771 ( 6.709 10.820 0.000) 12.731 7.506 ( 11.045 19.258 0.000) 22.201 8.726 ( -6.288 -10.899 0.000) 12.583 9.151 ( 3.735 4.221 0.000) 5.637 9.197 ( 0.024 2.597 0.000) 2.597 9.766 ( -5.121 -9.028 0.000) 10.379 9.844 ( 0.544 0.943 0.000) 1.089 10.025 ( 3.630 6.256 0.000) 7.233 10.212 ( -0.899 -1.401 0.000) 1.665 10.449 ( 1.091 1.633 0.000) 1.964 10.795 ( -2.161 -3.055 0.000) 3.742 10.836 ( -0.733 -1.827 0.000) 1.968 11.212 ( 3.571 5.684 0.000) 6.713 11.808 ( -3.412 -5.748 0.000) 6.685 11.880 ( -0.842 -1.544 0.000) 1.759 12.270 ( -0.485 1.386 0.000) 1.469 12.372 ( 4.015 4.747 0.000) 6.217 12.657 ( -0.295 -0.507 0.000) 0.587 12.922 ( 6.547 11.335 0.000) 13.090 13.244 ( -8.356 -14.204 0.000) 16.479 14.148 ( 4.271 7.319 0.000) 8.474 14.187 ( -10.896 -18.872 0.000) 21.792 14.413 ( 7.194 12.172 0.000) 14.139 14.801 ( 0.256 0.444 0.000) 0.513 15.001 ( -2.549 -3.651 0.000) 4.453 15.761 ( 7.250 12.557 0.000) 14.500 15.891 ( 1.446 2.141 0.000) 2.584 16.425 ( -2.834 -4.909 0.000) 5.668 17.302 ( -3.949 -9.088 0.000) 9.909 17.562 ( -3.514 -3.080 0.000) 4.673 18.069 ( 2.620 3.750 0.000) 4.575 21.028 ( 1.281 2.187 0.000) 2.535 21.155 ( -0.255 -0.437 0.000) 0.506 ======================= Grid point 9 (6/40) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 2.175 18.063 0.000) 18.193 1.166 ( 8.521 12.458 0.000) 15.093 1.640 ( -7.365 -9.929 0.000) 12.362 1.850 ( 9.127 0.153 0.000) 9.129 2.045 ( -4.544 -9.686 0.000) 10.699 2.359 ( 4.732 5.456 0.000) 7.222 2.398 ( 1.598 3.937 0.000) 4.249 2.479 ( -9.073 1.405 0.000) 9.181 2.599 ( 6.514 -3.111 0.000) 7.218 2.664 ( 0.196 -1.100 0.000) 1.117 3.009 ( 5.160 5.015 0.000) 7.196 3.035 ( 2.525 4.274 0.000) 4.964 3.144 ( -0.364 0.502 0.000) 0.620 3.182 ( -1.279 -2.283 0.000) 2.616 3.272 ( -0.747 -0.434 0.000) 0.864 3.342 ( -6.364 2.998 0.000) 7.035 3.445 ( -1.358 0.242 0.000) 1.379 3.480 ( -1.535 0.086 0.000) 1.538 3.709 ( 2.958 4.862 0.000) 5.691 3.734 ( -1.389 -1.352 0.000) 1.938 3.821 ( -1.456 -6.590 0.000) 6.749 3.862 ( -4.534 -1.450 0.000) 4.761 4.003 ( 2.900 -6.881 0.000) 7.467 4.069 ( 0.531 -11.247 0.000) 11.259 4.346 ( -4.047 5.331 0.000) 6.693 4.374 ( -5.659 2.910 0.000) 6.363 4.478 ( 5.564 2.267 0.000) 6.008 4.542 ( 2.588 -3.031 0.000) 3.986 4.613 ( -1.786 -4.190 0.000) 4.554 4.650 ( 0.636 -6.293 0.000) 6.325 4.893 ( 5.855 7.288 0.000) 9.349 5.035 ( -7.063 1.336 0.000) 7.188 5.124 ( -1.269 2.411 0.000) 2.725 5.173 ( 1.080 -0.153 0.000) 1.091 5.294 ( -1.521 -5.249 0.000) 5.464 5.410 ( 0.867 -3.377 0.000) 3.487 5.820 ( 0.217 1.193 0.000) 1.212 5.842 ( -3.343 3.063 0.000) 4.534 5.880 ( 2.232 2.746 0.000) 3.538 5.960 ( -0.037 0.757 0.000) 0.758 5.961 ( -0.639 -0.892 0.000) 1.097 6.105 ( -0.433 2.465 0.000) 2.502 6.247 ( 1.255 3.839 0.000) 4.039 6.283 ( 5.031 -12.917 0.000) 13.862 6.508 ( -1.182 -6.118 0.000) 6.231 6.924 ( -3.391 12.925 0.000) 13.363 7.904 ( 11.760 12.740 0.000) 17.338 8.460 ( -7.925 -12.015 0.000) 14.394 9.180 ( -4.172 6.752 0.000) 7.937 9.337 ( 10.149 1.477 0.000) 10.255 9.563 ( -6.767 -8.626 0.000) 10.964 9.861 ( 0.140 0.830 0.000) 0.841 10.121 ( 1.894 1.813 0.000) 2.622 10.179 ( -0.666 -1.475 0.000) 1.618 10.532 ( 3.340 4.995 0.000) 6.009 10.698 ( -4.862 -2.160 0.000) 5.320 10.812 ( 0.822 -2.807 0.000) 2.924 11.338 ( 1.722 6.762 0.000) 6.978 11.674 ( -1.950 -7.337 0.000) 7.592 11.854 ( -0.182 -1.273 0.000) 1.286 12.281 ( -0.527 2.189 0.000) 2.251 12.520 ( 3.676 6.907 0.000) 7.824 12.649 ( 0.001 -0.514 0.000) 0.514 12.968 ( -4.767 -12.030 0.000) 12.940 13.186 ( 6.373 12.443 0.000) 13.980 13.811 ( -8.108 -15.214 0.000) 17.240 14.278 ( 0.987 6.136 0.000) 6.215 14.649 ( 6.324 7.030 0.000) 9.456 14.809 ( 0.028 0.402 0.000) 0.403 14.891 ( -3.892 -4.594 0.000) 6.021 15.945 ( 1.597 1.291 0.000) 2.054 15.994 ( 4.979 8.514 0.000) 9.863 16.305 ( -3.281 -5.632 0.000) 6.518 17.109 ( -10.917 4.584 0.000) 11.841 17.547 ( 8.672 -12.875 0.000) 15.523 18.115 ( -0.931 2.999 0.000) 3.140 21.073 ( 0.819 1.937 0.000) 2.103 21.141 ( -0.362 -0.928 0.000) 0.996 ======================= Grid point 10 (7/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -16.734 7.116 0.000) 18.185 1.166 ( -15.051 -1.148 0.000) 15.095 1.640 ( 12.280 1.413 0.000) 12.361 1.884 ( -4.349 -10.702 0.000) 11.552 2.013 ( 9.268 1.875 0.000) 9.456 2.342 ( -5.541 0.125 0.000) 5.542 2.405 ( -0.911 0.054 0.000) 0.912 2.441 ( -4.287 5.640 0.000) 7.084 2.652 ( 4.053 -5.294 0.000) 6.668 2.666 ( 0.984 -0.776 0.000) 1.253 3.021 ( -7.254 -3.021 0.000) 7.858 3.024 ( -5.090 0.323 0.000) 5.100 3.150 ( -0.637 0.298 0.000) 0.703 3.188 ( 3.156 -0.158 0.000) 3.160 3.240 ( -1.590 3.685 0.000) 4.014 3.370 ( 3.300 5.670 0.000) 6.560 3.407 ( 1.145 1.272 0.000) 1.712 3.508 ( -1.004 0.558 0.000) 1.149 3.702 ( -5.624 0.112 0.000) 5.625 3.747 ( 2.257 1.203 0.000) 2.557 3.793 ( 5.184 -2.388 0.000) 5.708 3.874 ( 3.493 3.261 0.000) 4.778 4.015 ( 5.571 -6.259 0.000) 8.379 4.050 ( 8.027 -5.591 0.000) 9.782 4.347 ( -1.732 5.091 0.000) 5.378 4.368 ( -0.606 5.788 0.000) 5.820 4.531 ( 0.606 -4.101 0.000) 4.145 4.564 ( -1.266 1.098 0.000) 1.676 4.580 ( 0.735 -7.577 0.000) 7.612 4.632 ( 8.038 -0.351 0.000) 8.045 4.857 ( -9.730 0.897 0.000) 9.771 5.069 ( 2.614 4.766 0.000) 5.436 5.107 ( -1.800 1.893 0.000) 2.612 5.198 ( -0.332 -0.653 0.000) 0.732 5.290 ( 5.868 -1.362 0.000) 6.024 5.405 ( 2.172 -2.443 0.000) 3.270 5.818 ( -1.229 0.416 0.000) 1.297 5.825 ( -2.083 4.325 0.000) 4.801 5.884 ( -3.450 -0.730 0.000) 3.526 5.956 ( 1.015 0.346 0.000) 1.072 5.973 ( -0.001 0.697 0.000) 0.697 6.110 ( -1.635 1.489 0.000) 2.211 6.243 ( -4.140 0.887 0.000) 4.234 6.286 ( 9.061 -11.008 0.000) 14.258 6.509 ( 5.899 -2.043 0.000) 6.243 6.922 ( -9.759 9.529 0.000) 13.639 7.905 ( -16.876 -3.829 0.000) 17.305 8.460 ( 14.371 0.863 0.000) 14.396 9.175 ( -4.040 6.558 0.000) 7.703 9.347 ( -6.209 -7.918 0.000) 10.062 9.558 ( 11.048 1.825 0.000) 11.197 9.861 ( -0.788 0.293 0.000) 0.841 10.119 ( -2.484 -0.653 0.000) 2.568 10.182 ( 1.661 -0.281 0.000) 1.685 10.527 ( -6.019 -0.201 0.000) 6.022 10.704 ( 4.393 3.057 0.000) 5.352 10.809 ( 1.867 -2.196 0.000) 2.882 11.334 ( -6.900 1.969 0.000) 7.175 11.677 ( 7.397 -2.020 0.000) 7.668 11.853 ( 1.153 -0.464 0.000) 1.243 12.288 ( -0.986 1.401 0.000) 1.713 12.510 ( -8.433 0.459 0.000) 8.446 12.649 ( 0.446 -0.258 0.000) 0.516 12.972 ( 12.868 -1.960 0.000) 13.017 13.186 ( -13.964 0.703 0.000) 13.982 13.811 ( 17.230 -0.585 0.000) 17.240 14.278 ( -5.835 2.228 0.000) 6.246 14.642 ( -9.211 -1.715 0.000) 9.370 14.809 ( -0.362 0.176 0.000) 0.403 14.900 ( 6.096 0.744 0.000) 6.141 15.943 ( -2.089 -0.670 0.000) 2.194 15.994 ( -9.863 -0.055 0.000) 9.863 16.305 ( 6.518 0.026 0.000) 6.518 17.103 ( 1.076 11.540 0.000) 11.590 17.556 ( 7.512 -13.888 0.000) 15.789 18.112 ( -2.426 2.454 0.000) 3.451 21.072 ( -2.099 0.265 0.000) 2.116 21.141 ( 0.985 -0.152 0.000) 0.997 ======================= Grid point 15 (8/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -5.162 -10.324 0.000) 11.542 1.417 ( 5.162 10.324 0.000) 11.542 1.425 ( 0.000 -0.000 0.000) 0.000 1.855 ( -1.234 -2.467 0.000) 2.758 1.855 ( 1.234 2.467 0.000) 2.758 2.404 ( -0.000 -0.000 0.000) 0.000 2.469 ( -1.936 -3.871 0.000) 4.328 2.469 ( 1.936 3.871 0.000) 4.328 2.572 ( -0.000 -0.000 0.000) 0.000 2.650 ( -0.000 -0.000 0.000) 0.000 3.117 ( -1.683 -3.366 0.000) 3.764 3.117 ( 1.683 3.366 0.000) 3.764 3.140 ( 0.000 -0.000 0.000) 0.000 3.159 ( 0.000 -0.000 0.000) 0.000 3.305 ( -2.333 -4.665 0.000) 5.216 3.305 ( 2.333 4.665 0.000) 5.216 3.467 ( -1.429 -2.859 0.000) 3.196 3.467 ( 1.429 2.859 0.000) 3.196 3.719 ( -0.338 -0.677 0.000) 0.757 3.719 ( 0.338 0.677 0.000) 0.757 3.849 ( -3.658 -7.315 0.000) 8.179 3.849 ( 3.658 7.315 0.000) 8.179 3.856 ( -0.000 0.000 0.000) 0.000 3.926 ( -0.000 -0.000 0.000) 0.000 4.438 ( 0.000 -0.000 0.000) 0.000 4.454 ( -2.093 -4.187 0.000) 4.681 4.454 ( 2.093 4.187 0.000) 4.681 4.523 ( -1.086 -2.171 0.000) 2.427 4.523 ( 1.086 2.171 0.000) 2.427 4.567 ( -0.000 -0.000 0.000) 0.000 5.020 ( -2.076 -4.151 0.000) 4.641 5.020 ( 2.076 4.151 0.000) 4.641 5.175 ( -0.926 -1.851 0.000) 2.070 5.175 ( 0.926 1.851 0.000) 2.070 5.208 ( -0.000 -0.000 0.000) 0.000 5.359 ( -0.000 -0.000 0.000) 0.000 5.834 ( -0.000 -0.000 0.000) 0.000 5.880 ( -0.000 0.000 0.000) 0.000 5.931 ( -0.867 -1.733 0.000) 1.938 5.931 ( 0.867 1.733 0.000) 1.938 6.055 ( -3.762 -7.525 0.000) 8.413 6.055 ( 3.762 7.525 0.000) 8.413 6.136 ( -0.000 -0.000 0.000) 0.000 6.364 ( -3.192 -6.383 0.000) 7.137 6.364 ( 3.192 6.383 0.000) 7.137 7.069 ( -0.000 -0.000 0.000) 0.000 8.183 ( -6.270 -12.541 0.000) 14.021 8.183 ( 6.270 12.541 0.000) 14.021 9.313 ( -0.000 -0.000 0.000) 0.000 9.382 ( -2.748 -5.496 0.000) 6.144 9.382 ( 2.748 5.496 0.000) 6.144 9.872 ( -0.000 -0.000 0.000) 0.000 10.149 ( -0.613 -1.226 0.000) 1.371 10.149 ( 0.613 1.226 0.000) 1.371 10.640 ( -2.010 -4.021 0.000) 4.495 10.640 ( 2.010 4.021 0.000) 4.495 10.767 ( 0.000 -0.000 0.000) 0.000 11.502 ( -3.922 -7.843 0.000) 8.769 11.502 ( 3.922 7.843 0.000) 8.769 11.839 ( -0.000 -0.000 0.000) 0.000 12.308 ( -0.000 -0.000 0.000) 0.000 12.642 ( -0.000 -0.000 0.000) 0.000 12.715 ( -5.235 -10.469 0.000) 11.705 12.715 ( 5.235 10.469 0.000) 11.705 13.484 ( -7.039 -14.079 0.000) 15.740 13.484 ( 7.039 14.079 0.000) 15.740 14.357 ( -0.000 -0.000 0.000) 0.000 14.780 ( -2.722 -5.445 0.000) 6.087 14.780 ( 2.722 5.445 0.000) 6.087 14.814 ( -0.000 -0.000 0.000) 0.000 15.963 ( -0.000 -0.000 0.000) 0.000 16.166 ( -3.456 -6.912 0.000) 7.728 16.166 ( 3.456 6.912 0.000) 7.728 17.280 ( -5.191 -10.383 0.000) 11.608 17.280 ( 5.191 10.383 0.000) 11.608 18.145 ( 0.000 -0.000 0.000) 0.000 21.113 ( -0.788 -1.575 0.000) 1.761 21.113 ( 0.788 1.575 0.000) 1.761 ======================= Grid point 43 (9/40) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 0.000 24.919) 24.919 0.510 ( 0.000 0.000 24.919) 24.919 1.085 ( 0.000 -0.000 51.965) 51.965 2.145 ( -0.000 -0.000 -4.688) 4.688 2.145 ( -0.000 0.000 -4.688) 4.688 2.342 ( 0.000 -0.000 9.757) 9.757 2.512 ( -0.000 0.000 -3.017) 3.017 2.512 ( 0.000 0.000 -3.017) 3.017 2.702 ( 0.000 0.000 2.679) 2.679 2.757 ( 0.000 0.000 5.415) 5.415 2.757 ( -0.000 0.000 5.415) 5.415 2.862 ( 0.000 0.000 -0.492) 0.492 3.085 ( 0.000 0.000 3.317) 3.317 3.085 ( -0.000 0.000 3.317) 3.317 3.308 ( 0.000 -0.000 0.259) 0.259 3.308 ( -0.000 0.000 0.259) 0.259 3.526 ( 0.000 0.000 -0.995) 0.995 3.526 ( 0.000 -0.000 -0.995) 0.995 3.586 ( 0.000 -0.000 10.383) 10.383 3.886 ( -0.000 0.000 -3.090) 3.090 3.886 ( 0.000 -0.000 -3.090) 3.090 4.088 ( -0.000 0.000 -6.846) 6.846 4.210 ( 0.000 0.000 -6.209) 6.209 4.354 ( 0.000 0.000 7.453) 7.453 4.354 ( 0.000 0.000 7.453) 7.453 4.364 ( 0.000 0.000 -9.069) 9.069 4.614 ( 0.000 0.000 -3.875) 3.875 4.614 ( -0.000 0.000 -3.875) 3.875 4.728 ( -0.000 -0.000 -4.949) 4.949 4.728 ( -0.000 0.000 -4.949) 4.949 4.840 ( -0.000 -0.000 13.060) 13.060 5.105 ( -0.000 -0.000 -4.636) 4.636 5.105 ( -0.000 0.000 -4.636) 4.636 5.164 ( -0.000 -0.000 -16.923) 16.923 5.525 ( 0.000 0.000 -2.343) 2.343 5.531 ( -0.000 -0.000 -0.016) 0.016 5.777 ( 0.000 0.000 3.849) 3.849 5.850 ( 0.000 -0.000 7.305) 7.305 5.940 ( 0.000 0.000 -1.661) 1.661 5.940 ( -0.000 -0.000 -1.661) 1.661 6.044 ( -0.000 0.000 -0.384) 0.384 6.044 ( 0.000 -0.000 -0.384) 0.384 6.483 ( 0.000 0.000 25.538) 25.538 6.483 ( -0.000 -0.000 25.538) 25.538 6.538 ( 0.000 0.000 14.333) 14.333 6.538 ( 0.000 0.000 14.333) 14.333 7.034 ( 0.000 0.000 7.433) 7.433 8.939 ( 0.000 0.000 -6.739) 6.739 9.015 ( 0.000 0.000 1.293) 1.293 9.116 ( 0.000 0.000 -4.326) 4.326 9.116 ( -0.000 0.000 -4.326) 4.326 9.900 ( 0.000 -0.000 7.713) 7.713 9.900 ( 0.000 -0.000 7.713) 7.713 9.952 ( -0.000 0.000 -3.820) 3.820 10.616 ( 0.000 0.000 15.925) 15.925 10.907 ( 0.000 0.000 3.447) 3.447 10.907 ( 0.000 0.000 3.447) 3.447 11.880 ( 0.000 -0.000 -3.694) 3.694 11.880 ( 0.000 0.000 -3.694) 3.694 12.126 ( 0.000 0.000 -11.823) 11.823 12.126 ( 0.000 0.000 -11.823) 11.823 12.363 ( -0.000 0.000 5.137) 5.137 12.835 ( -0.000 0.000 13.756) 13.756 12.835 ( 0.000 0.000 13.756) 13.756 13.730 ( 0.000 0.000 -7.321) 7.321 13.740 ( 0.000 0.000 -13.472) 13.472 13.740 ( -0.000 -0.000 -13.472) 13.472 14.894 ( -0.000 0.000 -16.293) 16.293 14.897 ( 0.000 -0.000 9.462) 9.462 14.897 ( 0.000 -0.000 9.462) 9.462 15.770 ( 0.000 0.000 -6.766) 6.766 15.770 ( -0.000 0.000 -6.766) 6.766 16.724 ( 0.000 0.000 17.277) 17.277 17.565 ( -0.000 0.000 -7.387) 7.387 17.565 ( -0.000 0.000 -7.387) 7.387 18.089 ( 0.000 0.000 3.346) 3.346 20.942 ( 0.000 0.000 -2.964) 2.964 21.132 ( 0.000 0.000 -2.852) 2.852 ======================= Grid point 44 (10/40) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 11.857 6.653 17.943) 22.513 0.851 ( 18.453 10.811 18.142) 28.045 1.328 ( 19.515 11.264 37.362) 43.630 2.113 ( -3.519 -1.713 -1.531) 4.202 2.164 ( 1.819 0.556 -4.062) 4.485 2.270 ( -4.800 -2.624 9.685) 11.123 2.462 ( -3.022 -4.132 -2.251) 5.592 2.537 ( -9.039 -0.034 -1.026) 9.097 2.652 ( 5.330 0.157 -9.683) 11.054 2.754 ( -0.546 -0.011 5.028) 5.058 2.841 ( -0.213 -1.087 -1.315) 1.719 2.879 ( 5.390 3.477 5.856) 8.686 3.097 ( 0.579 1.359 0.890) 1.724 3.152 ( 3.908 1.619 -0.701) 4.288 3.279 ( -1.248 -0.532 2.404) 2.761 3.318 ( 1.233 0.594 1.849) 2.300 3.498 ( -1.780 -1.230 2.171) 3.066 3.518 ( -0.400 0.095 -0.460) 0.617 3.603 ( 2.476 1.290 6.919) 7.461 3.870 ( -2.329 -1.338 -2.379) 3.588 3.930 ( 0.388 0.364 -4.784) 4.813 4.075 ( -1.373 -0.925 -4.470) 4.766 4.129 ( -5.216 -3.032 -3.163) 6.812 4.292 ( -4.087 -2.247 7.587) 8.905 4.385 ( -1.272 2.216 -1.405) 2.916 4.401 ( 4.009 -1.157 -1.093) 4.313 4.508 ( -0.976 -1.149 2.843) 3.218 4.561 ( -1.879 -0.700 -3.564) 4.089 4.683 ( -5.929 -1.366 -1.508) 6.268 4.733 ( -1.258 -2.349 0.910) 2.816 4.767 ( -3.170 -1.341 4.110) 5.361 5.034 ( -3.560 -3.224 -8.474) 9.741 5.100 ( -2.078 2.109 -3.784) 4.805 5.136 ( 2.880 -0.886 -3.702) 4.773 5.447 ( -1.067 -0.914 0.511) 1.495 5.508 ( -1.832 -0.639 -0.857) 2.121 5.786 ( 0.920 0.534 3.246) 3.416 5.795 ( -0.053 0.058 2.231) 2.232 5.926 ( -1.118 -0.905 -0.698) 1.598 6.046 ( 0.140 -0.006 -0.458) 0.480 6.082 ( 2.584 1.732 -0.605) 3.169 6.228 ( -5.734 -2.688 15.683) 16.913 6.274 ( -6.045 -4.749 16.783) 18.460 6.418 ( 5.717 4.817 -6.185) 9.703 6.653 ( 3.844 -0.892 13.873) 14.423 6.716 ( 5.972 5.717 18.150) 19.945 7.287 ( 18.076 10.406 10.298) 23.261 8.893 ( -5.180 -2.994 -1.382) 6.140 9.009 ( 0.599 0.357 -3.601) 3.668 9.126 ( 1.264 0.672 -4.728) 4.940 9.344 ( 8.011 4.696 -22.238) 24.099 9.910 ( 0.865 0.151 7.626) 7.676 9.989 ( 6.565 4.262 7.551) 10.876 10.092 ( 10.927 6.161 -4.468) 13.316 10.602 ( -0.923 -0.527 15.014) 15.052 10.871 ( -3.006 -1.629 3.567) 4.941 10.893 ( -0.874 -0.620 3.598) 3.755 11.849 ( -3.805 -1.885 -1.910) 4.656 11.867 ( -1.150 -1.017 -3.418) 3.747 11.938 ( -20.614 -11.704 27.665) 36.431 12.123 ( 0.026 -0.738 -11.614) 11.637 12.175 ( 3.603 2.693 -10.187) 11.136 12.823 ( -1.049 -0.551 12.775) 12.830 12.896 ( 5.353 3.061 11.951) 13.448 13.404 ( -13.527 -7.890 -8.959) 18.042 13.846 ( 6.373 3.761 -14.851) 16.593 14.061 ( 13.257 7.646 -11.182) 18.954 14.710 ( -16.592 -9.622 12.373) 22.825 14.874 ( -1.919 -0.851 -15.073) 15.219 14.909 ( 0.924 0.257 9.304) 9.354 15.698 ( 2.393 1.458 3.618) 4.576 15.805 ( 3.569 1.995 -3.606) 5.452 16.679 ( -3.741 -2.117 16.245) 16.804 17.465 ( -11.291 -5.921 -0.067) 12.750 17.589 ( 2.165 0.417 -7.495) 7.813 17.913 ( -3.315 -1.700 -1.279) 3.939 20.962 ( 1.555 0.900 -3.004) 3.500 21.130 ( -0.180 -0.105 -2.918) 2.925 ======================= Grid point 45 (11/40) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 11.819 6.299 10.733) 17.163 1.241 ( 14.378 8.657 21.864) 27.563 1.821 ( 13.881 9.007 12.072) 20.483 1.958 ( -6.539 -5.531 9.069) 12.474 2.155 ( -5.885 -2.575 2.677) 6.959 2.234 ( 5.344 2.098 -1.349) 5.898 2.353 ( -1.659 -3.497 -2.450) 4.581 2.416 ( -5.893 3.111 0.396) 6.676 2.671 ( 0.068 -1.955 -3.844) 4.313 2.750 ( 0.314 -0.056 4.981) 4.991 2.860 ( 2.618 -0.604 -4.379) 5.137 3.003 ( 4.619 2.843 1.903) 5.748 3.128 ( 0.716 2.314 -2.910) 3.786 3.198 ( 2.240 -1.259 0.342) 2.592 3.273 ( -1.319 1.132 0.457) 1.797 3.350 ( 0.192 0.186 3.528) 3.538 3.478 ( 1.081 -0.375 4.040) 4.198 3.495 ( -3.543 -0.663 0.412) 3.628 3.684 ( 4.042 1.881 3.011) 5.379 3.756 ( -5.051 -3.580 1.280) 6.322 3.885 ( -3.802 -0.117 -2.640) 4.630 3.959 ( -5.438 -4.186 2.544) 7.320 4.085 ( 0.141 -0.468 -2.066) 2.123 4.243 ( -0.225 -0.874 3.103) 3.231 4.292 ( -7.294 -0.783 -1.388) 7.466 4.443 ( 2.548 -4.490 2.171) 5.601 4.491 ( -2.384 -2.742 6.167) 7.158 4.564 ( -1.346 2.608 -2.015) 3.560 4.635 ( 1.213 -1.288 -4.540) 4.873 4.668 ( 2.081 4.243 -0.962) 4.823 4.731 ( -2.779 1.039 -1.816) 3.478 4.954 ( -2.296 -4.503 -7.682) 9.196 5.082 ( -2.146 1.999 -2.087) 3.600 5.182 ( 3.198 -1.000 -1.629) 3.726 5.429 ( -0.086 -3.052 0.732) 3.139 5.453 ( -3.357 1.468 1.496) 3.957 5.792 ( 0.132 0.095 -0.397) 0.429 5.829 ( 0.598 1.469 2.056) 2.597 5.905 ( 1.537 -0.743 2.238) 2.815 6.044 ( -0.513 0.152 2.036) 2.105 6.086 ( -2.051 -2.351 12.292) 12.681 6.147 ( -4.207 -0.177 13.908) 14.531 6.181 ( 2.514 0.685 1.217) 2.876 6.483 ( -0.898 0.420 -6.713) 6.786 6.682 ( 1.641 -1.764 12.171) 12.407 6.835 ( 2.379 3.006 18.223) 18.622 7.754 ( 19.098 10.985 9.903) 24.155 8.699 ( -10.318 -5.996 3.480) 12.431 9.025 ( 0.348 0.268 -6.537) 6.552 9.188 ( 3.905 1.992 -7.929) 9.060 9.387 ( -2.376 -1.058 -18.603) 18.784 9.930 ( 0.962 0.122 7.492) 7.554 10.177 ( 7.617 4.993 8.766) 12.641 10.318 ( 5.716 2.964 2.366) 6.859 10.592 ( 0.493 0.422 12.091) 12.109 10.777 ( -4.498 -2.363 3.191) 6.000 10.877 ( -0.107 -0.414 3.803) 3.827 11.567 ( -8.441 -4.388 24.229) 26.030 11.769 ( -4.112 -2.968 -0.831) 5.139 11.842 ( -1.201 -0.439 -3.268) 3.509 12.118 ( 0.107 -0.468 -11.759) 11.769 12.309 ( 6.494 4.234 -8.804) 11.731 12.783 ( -2.632 -1.143 8.560) 9.028 13.087 ( 9.640 5.970 8.811) 14.360 13.113 ( -9.424 -6.373 -4.590) 12.268 13.985 ( 3.832 2.433 -12.727) 13.512 14.233 ( -12.546 -6.969 5.950) 15.537 14.395 ( 6.967 3.756 -5.803) 9.815 14.802 ( -4.199 -2.346 -13.855) 14.666 14.932 ( 1.118 0.265 10.012) 10.078 15.798 ( 3.623 2.469 -7.202) 8.431 15.963 ( 8.260 4.398 5.479) 10.844 16.558 ( -6.011 -3.125 13.844) 15.413 17.170 ( -10.949 -6.009 5.891) 13.809 17.639 ( 2.567 0.295 -7.743) 8.163 17.910 ( 0.291 0.878 -10.901) 10.940 21.007 ( 1.937 1.133 -3.072) 3.804 21.121 ( -0.547 -0.320 -3.060) 3.125 ======================= Grid point 46 (12/40) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 0.000 7.962) 7.962 1.486 ( 0.000 -0.000 23.859) 23.859 1.747 ( 0.000 0.000 10.887) 10.887 2.009 ( -0.000 0.000 1.720) 1.720 2.066 ( 0.000 0.000 2.508) 2.508 2.311 ( 0.000 0.000 -4.567) 4.567 2.352 ( 0.000 0.000 -3.951) 3.951 2.390 ( 0.000 0.000 3.540) 3.540 2.670 ( 0.000 0.000 -2.095) 2.095 2.754 ( 0.000 -0.000 6.162) 6.162 2.893 ( 0.000 0.000 -5.064) 5.064 3.127 ( -0.000 -0.000 -3.119) 3.119 3.157 ( 0.000 0.000 -2.027) 2.027 3.191 ( 0.000 0.000 7.734) 7.734 3.223 ( 0.000 0.000 -1.384) 1.384 3.329 ( 0.000 0.000 2.592) 2.592 3.414 ( 0.000 0.000 3.119) 3.119 3.501 ( 0.000 0.000 3.988) 3.988 3.689 ( 0.000 0.000 -2.141) 2.141 3.791 ( -0.000 -0.000 4.499) 4.499 3.814 ( 0.000 0.000 -1.615) 1.615 3.871 ( 0.000 0.000 5.873) 5.873 4.087 ( 0.000 0.000 -0.748) 0.748 4.195 ( 0.000 0.000 -1.650) 1.650 4.250 ( 0.000 0.000 2.997) 2.997 4.390 ( 0.000 -0.000 9.523) 9.523 4.493 ( 0.000 0.000 -4.868) 4.868 4.568 ( 0.000 0.000 -4.607) 4.607 4.618 ( 0.000 0.000 0.962) 0.962 4.705 ( 0.000 0.000 2.085) 2.085 4.802 ( 0.000 -0.000 -7.431) 7.431 4.857 ( 0.000 0.000 -6.372) 6.372 5.072 ( 0.000 0.000 -1.672) 1.672 5.213 ( 0.000 0.000 -0.660) 0.660 5.392 ( -0.000 0.000 4.678) 4.678 5.440 ( 0.000 0.000 -0.141) 0.141 5.795 ( 0.000 0.000 -1.337) 1.337 5.835 ( 0.000 0.000 2.706) 2.706 5.941 ( 0.000 0.000 -0.859) 0.859 6.034 ( -0.000 0.000 16.241) 16.241 6.050 ( 0.000 0.000 2.347) 2.347 6.104 ( 0.000 0.000 9.710) 9.710 6.221 ( 0.000 0.000 -0.606) 0.606 6.463 ( 0.000 0.000 -5.165) 5.165 6.687 ( 0.000 0.000 12.170) 12.170 6.871 ( 0.000 0.000 18.229) 18.229 8.058 ( 0.000 0.000 8.803) 8.803 8.504 ( 0.000 0.000 5.524) 5.524 9.029 ( 0.000 0.000 -6.670) 6.670 9.271 ( -0.000 -0.000 -15.634) 15.634 9.319 ( 0.000 0.000 -10.356) 10.356 9.940 ( 0.000 0.000 7.347) 7.347 10.305 ( 0.000 0.000 12.077) 12.077 10.352 ( 0.000 0.000 8.673) 8.673 10.622 ( 0.000 0.000 8.173) 8.173 10.700 ( 0.000 0.000 3.903) 3.903 10.877 ( 0.000 0.000 3.768) 3.768 11.482 ( 0.000 0.000 16.391) 16.391 11.703 ( 0.000 0.000 0.582) 0.582 11.827 ( 0.000 0.000 -3.290) 3.290 12.116 ( 0.000 0.000 -11.891) 11.891 12.423 ( 0.000 0.000 -8.174) 8.174 12.726 ( 0.000 0.000 1.958) 1.958 12.989 ( 0.000 0.000 1.971) 1.971 13.254 ( 0.000 0.000 6.814) 6.814 13.941 ( 0.000 0.000 10.796) 10.796 14.095 ( 0.000 0.000 -12.727) 12.727 14.555 ( 0.000 0.000 -10.793) 10.793 14.712 ( 0.000 0.000 -13.348) 13.348 14.945 ( 0.000 0.000 10.463) 10.463 15.852 ( 0.000 0.000 -9.217) 9.217 16.082 ( 0.000 0.000 5.689) 5.689 16.464 ( 0.000 -0.000 13.046) 13.046 17.028 ( 0.000 0.000 7.819) 7.819 17.668 ( 0.000 0.000 -7.849) 7.849 17.916 ( 0.000 0.000 -12.419) 12.419 21.036 ( 0.000 0.000 -3.080) 3.080 21.111 ( 0.000 0.000 -3.159) 3.159 ======================= Grid point 51 (13/40) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 8.720 16.127 11.403) 21.591 1.134 ( 8.962 14.738 20.400) 26.715 1.683 ( 10.437 17.839 18.863) 27.982 2.021 ( -4.629 -7.502 8.457) 12.216 2.160 ( -1.097 -1.794 0.313) 2.126 2.239 ( 0.855 2.014 0.051) 2.189 2.355 ( -3.966 -3.752 0.251) 5.465 2.488 ( 3.985 -6.877 -3.034) 8.507 2.622 ( -6.022 -1.251 -4.433) 7.582 2.742 ( -0.428 -1.103 2.721) 2.967 2.866 ( 0.708 4.468 -2.520) 5.178 2.976 ( 3.048 4.955 4.378) 7.281 3.101 ( 1.325 -0.327 -1.474) 2.008 3.202 ( -0.730 1.205 -3.367) 3.650 3.291 ( 2.510 1.321 3.942) 4.857 3.351 ( 1.007 2.872 1.788) 3.529 3.473 ( -1.138 -1.145 1.902) 2.495 3.516 ( 0.802 -0.285 1.137) 1.420 3.652 ( 1.547 3.388 3.992) 5.460 3.808 ( -3.024 -3.763 0.798) 4.892 3.894 ( -1.199 -5.485 -4.254) 7.044 4.023 ( -4.656 -5.078 0.970) 6.957 4.052 ( -0.529 -1.759 -0.973) 2.078 4.229 ( -1.679 -3.094 5.423) 6.465 4.341 ( 1.024 -4.204 -1.325) 4.526 4.439 ( -7.168 1.546 -3.105) 7.963 4.529 ( -0.222 2.399 0.634) 2.491 4.567 ( 5.062 -1.449 2.109) 5.672 4.608 ( -0.347 -1.884 2.362) 3.041 4.681 ( -3.796 -2.574 -3.365) 5.688 4.694 ( 1.047 -3.523 0.047) 3.676 4.996 ( -2.082 -0.233 -8.710) 8.959 5.099 ( 2.924 -0.683 -3.106) 4.320 5.178 ( -1.184 3.261 -1.475) 3.770 5.412 ( -2.545 -2.825 -0.359) 3.819 5.474 ( -0.022 -2.324 1.960) 3.040 5.795 ( 0.197 0.347 0.140) 0.422 5.819 ( 1.764 1.908 2.128) 3.359 5.914 ( -0.999 0.102 1.114) 1.500 6.042 ( 0.069 -0.051 1.261) 1.264 6.114 ( -3.045 -2.430 13.683) 14.226 6.140 ( 2.599 0.541 2.123) 3.399 6.216 ( -1.411 -2.178 14.848) 15.073 6.459 ( 0.513 -2.183 -0.805) 2.383 6.557 ( -4.131 -3.048 7.176) 8.823 6.945 ( 6.399 10.174 16.713) 20.586 7.609 ( 10.788 18.781 10.072) 23.886 8.761 ( -5.561 -9.580 2.548) 11.366 9.053 ( 1.838 2.956 -7.336) 8.120 9.135 ( 0.448 1.243 -5.806) 5.954 9.397 ( -0.373 -1.072 -20.297) 20.328 9.937 ( 0.499 1.783 8.716) 8.910 10.113 ( 4.921 7.398 6.593) 11.064 10.275 ( 4.498 8.217 -0.151) 9.369 10.592 ( 0.074 -0.002 13.060) 13.060 10.820 ( -1.528 -3.420 3.575) 5.178 10.864 ( -1.390 -1.505 3.558) 4.106 11.640 ( -5.990 -11.256 27.693) 30.487 11.787 ( -3.309 -4.554 -1.552) 5.839 11.845 ( -0.709 -1.765 -3.507) 3.989 12.128 ( -0.354 0.530 -11.843) 11.860 12.263 ( 4.239 6.305 -9.070) 11.832 12.809 ( -0.318 -1.118 11.960) 12.017 13.007 ( 3.116 5.593 4.821) 8.014 13.183 ( -5.580 -9.062 -3.163) 11.102 13.967 ( 3.764 6.191 -13.993) 15.758 14.259 ( 3.439 5.416 -8.403) 10.572 14.400 ( -7.757 -12.869 10.012) 18.057 14.830 ( -1.766 -3.352 -14.921) 15.394 14.924 ( 0.233 1.098 10.403) 10.464 15.771 ( 2.579 3.885 -5.478) 7.194 15.914 ( 4.779 8.810 4.710) 11.074 16.592 ( -3.355 -6.241 14.333) 15.989 17.337 ( -4.270 -9.569 3.793) 11.144 17.501 ( -3.135 -2.233 -5.509) 6.720 17.938 ( 1.769 2.246 -10.699) 11.075 20.996 ( 1.259 2.160 -3.070) 3.959 21.124 ( -0.297 -0.510 -3.019) 3.076 ======================= Grid point 52 (14/40) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 1.823 15.308 6.535) 16.744 1.439 ( 9.528 9.516 20.357) 24.407 1.797 ( -8.224 -8.931 12.259) 17.253 1.920 ( 5.919 0.800 7.442) 9.543 2.078 ( -3.439 -5.484 4.017) 7.619 2.324 ( 1.039 4.139 -2.905) 5.162 2.334 ( 1.624 1.099 -4.492) 4.901 2.454 ( -4.703 0.103 -1.853) 5.056 2.549 ( 5.000 -6.341 -1.618) 8.236 2.727 ( 0.826 -1.906 1.782) 2.737 2.965 ( 0.494 9.679 0.479) 9.704 3.083 ( 4.943 4.413 0.330) 6.635 3.133 ( 2.071 -0.272 -1.828) 2.776 3.184 ( -0.276 -0.210 0.819) 0.890 3.300 ( -5.017 0.203 -1.211) 5.165 3.378 ( -0.961 0.964 3.734) 3.975 3.465 ( -1.379 -0.381 4.331) 4.561 3.493 ( -2.063 0.797 1.564) 2.708 3.694 ( -0.659 -0.210 -2.410) 2.507 3.749 ( 1.704 1.650 2.998) 3.823 3.828 ( 1.125 -5.462 -1.701) 5.830 3.886 ( -4.692 -1.916 6.264) 8.057 4.041 ( 1.750 -2.372 2.233) 3.698 4.136 ( -1.207 -8.168 5.337) 9.831 4.323 ( -4.278 3.218 -2.842) 6.061 4.387 ( 2.777 -0.544 -0.200) 2.837 4.492 ( -2.345 1.406 4.435) 5.210 4.537 ( 0.359 -3.586 -2.662) 4.481 4.583 ( -1.243 -2.629 -2.346) 3.736 4.658 ( 2.782 -6.429 1.800) 7.233 4.807 ( 4.990 6.823 -6.039) 10.389 4.933 ( -5.749 1.600 -7.814) 9.832 5.148 ( -2.935 3.570 0.017) 4.622 5.182 ( 2.650 1.195 -0.946) 3.057 5.340 ( 0.029 -4.977 1.731) 5.270 5.448 ( -0.350 -1.800 3.475) 3.929 5.804 ( -0.126 0.844 -1.392) 1.633 5.866 ( -0.529 1.526 0.506) 1.693 5.906 ( 1.245 0.804 1.029) 1.804 6.036 ( -0.397 -1.974 11.389) 11.566 6.075 ( -0.456 2.193 2.583) 3.419 6.145 ( -2.765 1.286 12.217) 12.591 6.230 ( 0.890 2.896 0.050) 3.031 6.427 ( 2.156 -7.069 5.035) 8.942 6.474 ( 2.228 -8.322 5.317) 10.124 7.089 ( -3.317 12.299 15.792) 20.289 7.995 ( 11.464 12.075 8.819) 18.842 8.519 ( -7.406 -11.121 5.430) 14.422 9.085 ( -2.627 4.955 -8.514) 10.195 9.206 ( 5.787 0.243 -10.430) 11.930 9.331 ( -2.822 -4.462 -14.177) 15.128 9.960 ( -0.358 2.164 8.899) 9.166 10.267 ( 4.683 3.315 10.040) 11.564 10.353 ( -0.202 -0.080 8.736) 8.738 10.624 ( 1.657 2.828 8.642) 9.243 10.738 ( -4.131 -1.488 3.754) 5.777 10.843 ( 1.398 -2.412 3.313) 4.330 11.519 ( -2.352 0.211 16.803) 16.968 11.680 ( -1.412 -5.074 1.391) 5.447 11.818 ( -0.141 -1.528 -3.583) 3.897 12.130 ( -0.419 1.149 -12.513) 12.573 12.428 ( 4.265 7.657 -8.124) 11.950 12.767 ( -4.565 -0.902 5.623) 7.299 12.899 ( 0.180 -11.771 -3.301) 12.227 13.292 ( 4.865 12.564 9.415) 16.437 13.919 ( -6.352 -13.541 8.434) 17.171 14.139 ( -0.853 3.577 -10.914) 11.516 14.519 ( 6.126 6.385 -11.483) 14.496 14.736 ( -3.825 -4.023 -13.706) 14.788 14.941 ( 0.494 0.507 11.061) 11.084 15.846 ( 1.706 1.958 -8.792) 9.167 16.097 ( 3.526 8.199 6.757) 11.195 16.452 ( -3.036 -7.125 12.002) 14.284 17.148 ( -9.245 3.358 5.008) 11.037 17.495 ( 7.402 -10.570 -4.277) 13.595 17.970 ( -0.983 2.639 -13.164) 13.462 21.040 ( 0.838 1.913 -3.125) 3.759 21.108 ( -0.403 -0.973 -3.142) 3.313 ======================= Grid point 53 (15/40) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -13.833 6.165 6.928) 16.654 1.434 ( -13.349 -3.651 19.803) 24.160 1.772 ( 9.204 1.998 11.373) 14.767 1.968 ( -0.853 -5.390 6.943) 8.831 2.060 ( 6.693 1.177 6.281) 9.254 2.320 ( -2.466 0.802 -5.543) 6.120 2.361 ( -0.937 -0.918 -0.846) 1.561 2.379 ( -3.080 2.846 -2.178) 4.726 2.587 ( 5.015 -4.895 -3.222) 7.713 2.727 ( 1.341 -1.839 1.637) 2.804 2.984 ( -7.020 4.530 0.134) 8.356 3.076 ( -6.250 -2.973 1.487) 7.079 3.127 ( -2.048 -1.409 -2.018) 3.202 3.203 ( 0.767 -1.232 -0.907) 1.711 3.310 ( 1.179 6.153 5.325) 8.222 3.343 ( 1.082 1.463 -1.884) 2.619 3.445 ( 0.439 1.624 3.180) 3.597 3.514 ( -0.307 0.870 2.881) 3.025 3.709 ( 1.239 1.187 -1.737) 2.441 3.753 ( -2.282 -1.023 1.967) 3.182 3.793 ( 3.095 -2.506 1.156) 4.147 3.905 ( 4.687 2.066 3.682) 6.308 4.044 ( 1.396 -3.145 2.744) 4.401 4.132 ( 7.700 -3.071 5.974) 10.218 4.291 ( -2.345 3.786 -2.486) 5.101 4.452 ( 1.981 2.620 4.758) 5.782 4.487 ( 1.764 -5.548 -3.710) 6.903 4.529 ( 1.766 3.493 -3.010) 4.937 4.600 ( 3.611 -2.087 -0.389) 4.189 4.630 ( 2.236 -5.148 2.030) 5.968 4.771 ( -9.437 1.665 -5.844) 11.224 4.965 ( 2.241 3.453 -7.577) 8.623 5.109 ( -3.533 2.887 -1.387) 4.769 5.226 ( -0.773 -0.008 0.036) 0.774 5.341 ( 5.165 -2.972 2.078) 6.311 5.439 ( 0.874 -0.247 3.283) 3.407 5.804 ( -0.693 0.540 -1.325) 1.590 5.845 ( -1.794 1.130 0.973) 2.333 5.937 ( -0.354 -0.996 -0.515) 1.176 6.022 ( 1.260 0.171 13.389) 13.450 6.090 ( -0.410 0.456 -0.499) 0.790 6.133 ( -0.818 3.759 14.452) 14.955 6.226 ( -2.873 0.535 0.251) 2.933 6.414 ( 4.180 -4.975 3.524) 7.393 6.493 ( 7.304 -6.574 6.607) 11.841 7.087 ( -9.266 9.165 15.832) 20.506 7.995 ( -16.159 -3.891 8.781) 18.798 8.520 ( 13.357 0.839 5.472) 14.459 9.083 ( -3.025 4.627 -8.246) 9.927 9.211 ( -3.125 -4.997 -10.641) 12.165 9.326 ( 5.266 0.476 -14.338) 15.282 9.964 ( -1.411 1.326 9.250) 9.450 10.260 ( -5.392 -2.088 9.054) 10.743 10.359 ( 0.200 -0.190 9.422) 9.426 10.621 ( -3.304 0.128 8.793) 9.395 10.737 ( 3.051 2.693 3.171) 5.159 10.847 ( 1.695 -2.393 3.785) 4.788 11.512 ( 0.717 2.202 16.346) 16.509 11.687 ( 5.439 -1.375 2.087) 5.986 11.816 ( 1.236 -0.600 -3.776) 4.018 12.134 ( -0.466 0.846 -12.651) 12.688 12.425 ( -9.094 0.225 -7.961) 12.088 12.757 ( 3.028 3.162 4.872) 6.550 12.908 ( 10.127 -5.690 -2.667) 11.919 13.294 ( -13.195 2.011 9.626) 16.456 13.917 ( 14.720 -1.188 7.995) 16.793 14.139 ( -2.699 2.518 -10.788) 11.402 14.518 ( -8.450 -2.055 -11.041) 14.054 14.737 ( 5.299 1.238 -13.768) 14.804 14.944 ( -0.437 -0.258 10.774) 10.786 15.842 ( -2.797 -0.394 -8.627) 9.078 16.102 ( -8.698 0.909 6.754) 11.050 16.446 ( 7.514 -0.780 11.687) 13.916 17.145 ( 1.474 9.450 5.392) 10.979 17.504 ( 6.147 -11.697 -4.438) 13.940 17.967 ( -2.125 2.341 -13.183) 13.557 21.040 ( -2.084 0.235 -3.121) 3.760 21.108 ( 1.045 -0.140 -3.142) 3.314 ======================= Grid point 58 (16/40) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 -0.000 3.072) 3.072 1.606 ( -3.523 -7.046 14.583) 16.575 1.606 ( 3.523 7.046 14.583) 16.575 1.951 ( -1.568 -3.137 10.009) 10.605 1.951 ( 1.568 3.137 10.009) 10.605 2.344 ( -0.000 -0.000 -5.768) 5.768 2.407 ( -1.699 -3.399 -4.599) 5.966 2.407 ( 1.699 3.399 -4.599) 5.966 2.489 ( -0.000 -0.000 -3.692) 3.692 2.703 ( -0.000 -0.000 2.467) 2.467 3.106 ( 0.000 -0.000 -1.256) 1.256 3.115 ( -1.022 -2.045 -1.085) 2.530 3.115 ( 1.022 2.045 -1.085) 2.530 3.296 ( -1.887 -3.774 -1.674) 4.539 3.296 ( 1.887 3.774 -1.674) 4.539 3.309 ( -0.000 -0.000 10.450) 10.450 3.488 ( -1.141 -2.281 3.041) 3.969 3.488 ( 1.141 2.281 3.041) 3.969 3.712 ( -0.794 -1.588 0.182) 1.785 3.712 ( 0.794 1.588 0.182) 1.785 3.759 ( -0.000 -0.000 -5.594) 5.594 3.955 ( -3.327 -6.653 8.843) 11.555 3.955 ( 3.327 6.653 8.843) 11.555 4.023 ( -0.000 -0.000 5.841) 5.841 4.407 ( -1.737 -3.473 -4.709) 6.104 4.407 ( 1.737 3.473 -4.709) 6.104 4.414 ( -0.000 -0.000 -2.071) 2.071 4.545 ( -1.328 -2.656 2.722) 4.028 4.545 ( 1.328 2.656 2.722) 4.028 4.564 ( -0.000 -0.000 -0.109) 0.109 4.923 ( -1.795 -3.590 -7.095) 8.152 4.923 ( 1.795 3.590 -7.095) 8.152 5.209 ( -0.938 -1.876 0.783) 2.239 5.209 ( 0.938 1.876 0.783) 2.239 5.250 ( -0.000 0.000 1.405) 1.405 5.419 ( -0.000 -0.000 5.351) 5.351 5.815 ( -0.000 -0.000 -1.768) 1.768 5.901 ( -1.002 -2.004 -1.383) 2.633 5.901 ( 1.002 2.004 -1.383) 2.633 6.007 ( -0.000 -0.000 14.522) 14.522 6.103 ( -0.000 -0.000 -3.106) 3.106 6.224 ( -2.404 -4.809 12.909) 13.983 6.224 ( 2.404 4.809 12.909) 13.983 6.353 ( -1.930 -3.859 0.868) 4.401 6.353 ( 1.930 3.859 0.868) 4.401 7.228 ( -0.000 -0.000 15.204) 15.204 8.259 ( -5.943 -11.887 7.308) 15.166 8.259 ( 5.943 11.887 7.308) 15.166 9.195 ( -1.674 -3.347 -13.544) 14.051 9.195 ( 1.674 3.347 -13.544) 14.051 9.239 ( -0.000 -0.000 -6.438) 6.438 9.987 ( -0.000 -0.000 10.608) 10.608 10.323 ( -1.093 -2.187 10.974) 11.243 10.323 ( 1.093 2.187 10.974) 11.243 10.696 ( -1.464 -2.927 4.958) 5.941 10.696 ( 1.464 2.927 4.958) 5.941 10.807 ( 0.000 -0.000 3.903) 3.903 11.574 ( -2.116 -4.233 8.091) 9.373 11.574 ( 2.116 4.233 8.091) 9.373 11.799 ( -0.000 -0.000 -4.119) 4.119 12.144 ( -0.000 -0.000 -13.311) 13.311 12.631 ( -5.080 -10.160 -8.026) 13.909 12.631 ( 5.080 10.160 -8.026) 13.909 12.775 ( -0.000 -0.000 10.129) 10.129 13.594 ( -7.159 -14.319 10.217) 18.991 13.594 ( 7.159 14.319 10.217) 18.991 14.199 ( -0.000 -0.000 -13.557) 13.557 14.639 ( -2.374 -4.748 -12.794) 13.852 14.639 ( 2.374 4.748 -12.794) 13.852 14.946 ( -0.000 -0.000 11.342) 11.342 15.870 ( -0.000 -0.000 -8.829) 8.829 16.280 ( -3.992 -7.983 8.702) 12.465 16.280 ( 3.992 7.983 8.702) 12.465 17.282 ( -4.081 -8.162 1.253) 9.211 17.282 ( 4.081 8.162 1.253) 9.211 17.997 ( 0.000 -0.000 -13.882) 13.882 21.080 ( -0.789 -1.577 -3.174) 3.631 21.080 ( 0.789 1.577 -3.174) 3.631 ======================= Grid point 86 (17/40) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.000 -0.000 22.768) 22.768 0.995 ( 0.000 0.000 22.768) 22.768 2.045 ( -0.000 0.000 -4.900) 4.900 2.045 ( 0.000 0.000 -4.900) 4.900 2.059 ( -0.000 0.000 43.523) 43.523 2.449 ( 0.000 -0.000 -2.395) 2.395 2.449 ( 0.000 0.000 -2.395) 2.395 2.534 ( -0.000 0.000 7.570) 7.570 2.810 ( 0.000 -0.000 7.957) 7.957 2.854 ( 0.000 0.000 -0.169) 0.169 2.857 ( 0.000 0.000 4.002) 4.002 2.857 ( 0.000 0.000 4.002) 4.002 3.149 ( 0.000 0.000 2.165) 2.165 3.149 ( 0.000 0.000 2.165) 2.165 3.296 ( 0.000 0.000 -1.424) 1.424 3.296 ( 0.000 -0.000 -1.424) 1.424 3.515 ( 0.000 0.000 0.061) 0.061 3.515 ( 0.000 -0.000 0.061) 0.061 3.814 ( -0.000 -0.000 8.402) 8.402 3.855 ( -0.000 0.000 -0.357) 0.357 3.855 ( 0.000 0.000 -0.357) 0.357 3.990 ( 0.000 0.000 -2.054) 2.054 4.083 ( 0.000 0.000 -3.080) 3.080 4.150 ( 0.000 0.000 -11.149) 11.149 4.468 ( -0.000 0.000 -0.314) 0.314 4.468 ( 0.000 0.000 -0.314) 0.314 4.550 ( 0.000 0.000 1.633) 1.633 4.550 ( -0.000 -0.000 1.633) 1.633 4.629 ( -0.000 0.000 -3.973) 3.973 4.629 ( -0.000 0.000 -3.973) 3.973 4.790 ( 0.000 0.000 -19.265) 19.265 4.976 ( 0.000 -0.000 -7.720) 7.720 4.976 ( 0.000 0.000 -7.720) 7.720 5.058 ( -0.000 0.000 5.473) 5.473 5.480 ( 0.000 0.000 -0.507) 0.507 5.513 ( -0.000 0.000 -0.653) 0.653 5.869 ( -0.000 0.000 4.765) 4.765 5.919 ( -0.000 -0.000 -0.486) 0.486 5.919 ( 0.000 -0.000 -0.486) 0.486 5.993 ( 0.000 0.000 5.992) 5.992 6.031 ( -0.000 0.000 -0.975) 0.975 6.031 ( 0.000 0.000 -0.975) 0.975 6.911 ( 0.000 0.000 21.377) 21.377 6.911 ( 0.000 0.000 21.377) 21.377 7.147 ( 0.000 -0.000 37.997) 37.997 7.147 ( 0.000 0.000 37.997) 37.997 7.233 ( -0.000 -0.000 11.889) 11.889 8.741 ( -0.000 0.000 -11.823) 11.823 9.001 ( 0.000 0.000 -6.313) 6.313 9.001 ( -0.000 0.000 -6.313) 6.313 9.078 ( 0.000 0.000 4.362) 4.362 9.843 ( -0.000 -0.000 -6.857) 6.857 10.112 ( 0.000 0.000 12.205) 12.205 10.112 ( -0.000 0.000 12.205) 12.205 11.005 ( -0.000 -0.000 6.085) 6.085 11.005 ( 0.000 -0.000 6.085) 6.085 11.043 ( 0.000 0.000 25.330) 25.330 11.712 ( 0.000 0.000 -14.235) 14.235 11.712 ( 0.000 -0.000 -14.235) 14.235 11.910 ( 0.000 0.000 -7.270) 7.270 11.910 ( 0.000 0.000 -7.270) 7.270 12.518 ( 0.000 0.000 10.114) 10.114 13.174 ( 0.000 -0.000 19.417) 19.417 13.174 ( -0.000 0.000 19.417) 19.417 13.376 ( -0.000 0.000 -21.985) 21.985 13.376 ( -0.000 0.000 -21.985) 21.985 13.513 ( -0.000 0.000 -14.098) 14.098 14.490 ( 0.000 0.000 -22.544) 22.544 15.090 ( 0.000 -0.000 5.823) 5.823 15.090 ( 0.000 0.000 5.823) 5.823 15.625 ( 0.000 0.000 -4.056) 4.056 15.625 ( 0.000 -0.000 -4.056) 4.056 17.148 ( 0.000 0.000 23.242) 23.242 17.349 ( -0.000 -0.000 -13.899) 13.899 17.349 ( 0.000 -0.000 -13.899) 13.899 18.172 ( 0.000 -0.000 4.379) 4.379 20.865 ( -0.000 0.000 -4.341) 4.341 21.048 ( -0.000 0.000 -5.316) 5.316 ======================= Grid point 87 (18/40) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 6.137 3.312 20.015) 21.195 1.195 ( 14.254 8.464 16.957) 23.714 2.041 ( 0.060 -1.010 -2.955) 3.123 2.068 ( 1.067 2.085 -1.964) 3.056 2.139 ( 5.792 2.910 31.717) 32.373 2.431 ( -1.262 -0.935 0.215) 1.585 2.493 ( -2.913 -2.116 8.722) 9.436 2.499 ( 2.573 2.257 -0.905) 3.540 2.618 ( -8.811 -5.421 6.510) 12.223 2.819 ( -3.420 1.003 0.969) 3.694 2.859 ( 1.484 -2.137 2.882) 3.883 2.966 ( 3.548 1.847 2.275) 4.602 3.114 ( -2.442 -1.066 0.086) 2.666 3.151 ( -0.310 0.111 0.262) 0.421 3.297 ( 0.790 -1.068 -0.032) 1.329 3.328 ( 1.864 2.503 -0.478) 3.157 3.515 ( -0.421 0.164 -0.202) 0.495 3.540 ( 2.092 0.632 0.544) 2.252 3.757 ( -2.206 -1.252 3.661) 4.454 3.846 ( -0.631 -0.527 -0.305) 0.877 3.887 ( -0.434 0.039 2.019) 2.066 4.021 ( 1.591 0.863 -0.923) 2.032 4.061 ( -1.357 -0.810 -0.816) 1.778 4.202 ( 4.686 2.675 -9.334) 10.781 4.421 ( -3.297 -1.773 1.644) 4.089 4.434 ( -5.960 -3.954 -0.501) 7.169 4.498 ( 0.908 1.010 -1.690) 2.168 4.542 ( 0.042 0.112 2.562) 2.565 4.607 ( -1.286 -3.449 -3.110) 4.818 4.647 ( -0.210 3.099 -4.716) 5.647 4.804 ( 0.594 -0.294 -11.307) 11.326 4.926 ( -4.159 -3.251 0.759) 5.333 4.988 ( 0.921 1.886 -6.851) 7.166 5.060 ( 0.847 -0.033 -0.845) 1.196 5.457 ( -1.683 -2.394 0.196) 2.933 5.473 ( -1.415 0.588 -1.335) 2.032 5.836 ( -2.983 -1.672 1.663) 3.803 5.868 ( 0.095 0.044 3.974) 3.976 5.928 ( 0.212 -0.193 0.719) 0.774 6.028 ( -0.379 0.434 -1.317) 1.438 6.061 ( 2.550 1.048 -1.243) 3.024 6.196 ( 8.875 5.148 -3.878) 10.968 6.762 ( -8.326 -7.910 27.357) 29.670 6.779 ( -9.301 -1.856 25.265) 26.987 7.016 ( -1.242 -1.342 20.219) 20.301 7.248 ( 5.203 3.240 33.086) 33.649 7.604 ( 18.657 10.749 21.404) 30.361 8.736 ( -0.700 -0.405 -11.661) 11.689 8.986 ( -1.974 -0.401 -5.707) 6.052 9.047 ( 2.771 -1.361 -7.418) 8.034 9.074 ( 0.094 2.307 2.340) 3.288 9.955 ( 8.122 4.458 -6.837) 11.515 10.140 ( 2.643 2.202 11.861) 12.350 10.192 ( 6.432 3.242 11.336) 13.431 10.962 ( -4.683 -2.576 14.357) 15.320 10.973 ( -2.644 -1.511 6.366) 7.057 11.011 ( -0.562 -0.484 11.637) 11.660 11.699 ( -1.216 -0.660 -13.661) 13.731 11.761 ( 2.834 1.608 -6.022) 6.847 11.897 ( -0.994 -0.519 -8.218) 8.294 11.947 ( 3.367 1.871 -9.456) 10.210 12.355 ( -11.319 -6.523 16.202) 20.813 13.035 ( -11.502 -6.625 -5.286) 14.287 13.165 ( 0.227 1.838 9.770) 9.944 13.236 ( -1.832 -3.373 5.448) 6.665 13.502 ( 7.787 5.255 -14.480) 17.261 13.775 ( 13.143 7.448 -16.443) 22.329 14.480 ( -0.962 -0.595 -21.976) 22.005 14.925 ( -13.298 -7.639 7.107) 16.903 15.115 ( 1.820 1.022 6.538) 6.863 15.610 ( -0.515 -0.276 -4.096) 4.137 15.752 ( 9.576 5.506 -2.448) 11.314 17.032 ( -8.279 -4.609 12.886) 15.995 17.355 ( 0.511 -0.779 -11.758) 11.795 17.395 ( 2.096 2.119 -5.293) 6.075 17.988 ( -12.009 -6.930 6.932) 15.502 20.883 ( 1.417 0.819 -4.498) 4.787 21.045 ( -0.288 -0.167 -5.379) 5.390 ======================= Grid point 88 (19/40) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 7.255 3.439 14.446) 16.527 1.568 ( 14.804 9.560 11.124) 20.840 2.024 ( -0.802 -1.405 -1.076) 1.943 2.117 ( 1.749 2.101 -1.333) 3.041 2.218 ( -0.660 -0.870 16.489) 16.525 2.344 ( -8.027 -4.149 7.595) 11.803 2.369 ( -4.233 -2.903 5.779) 7.729 2.475 ( -0.710 -0.010 4.355) 4.412 2.606 ( 3.598 1.419 2.104) 4.403 2.821 ( -0.638 7.671 2.959) 8.246 2.864 ( 4.132 -6.649 2.640) 8.261 3.023 ( 1.949 0.537 -0.068) 2.023 3.082 ( -0.303 1.488 -1.777) 2.338 3.135 ( -1.224 0.186 -4.247) 4.423 3.302 ( 2.311 -2.795 1.844) 4.068 3.376 ( -1.101 3.620 0.121) 3.786 3.503 ( -0.906 0.008 0.537) 1.053 3.590 ( 2.866 -0.130 1.781) 3.377 3.722 ( -1.112 -1.113 1.270) 2.021 3.801 ( -4.893 -0.459 -2.036) 5.319 3.847 ( -0.396 -1.583 2.370) 2.877 4.023 ( -0.918 -0.470 2.782) 2.967 4.068 ( 1.737 1.149 0.291) 2.103 4.259 ( -2.291 -1.841 0.923) 3.081 4.319 ( -3.428 -2.077 1.172) 4.176 4.406 ( 2.471 -0.341 -2.437) 3.487 4.485 ( -0.488 0.969 -3.661) 3.818 4.532 ( 2.074 -1.240 -0.185) 2.424 4.600 ( 0.105 2.069 1.280) 2.435 4.682 ( -1.614 5.332 -2.545) 6.125 4.780 ( -4.644 -4.283 3.517) 7.231 4.805 ( 0.863 -4.410 -2.470) 5.128 5.016 ( -1.971 3.613 -3.534) 5.425 5.101 ( 4.142 -0.819 -5.800) 7.174 5.427 ( 1.281 -3.365 -0.921) 3.716 5.451 ( -2.561 2.606 -1.171) 3.837 5.783 ( -1.510 -0.911 -0.378) 1.804 5.873 ( -0.240 0.397 1.898) 1.954 5.915 ( -0.157 -1.243 -0.353) 1.301 6.030 ( -0.101 0.668 -1.390) 1.545 6.128 ( 2.929 1.478 -1.771) 3.728 6.322 ( 1.879 1.175 -5.014) 5.482 6.577 ( -3.696 -5.239 27.451) 28.190 6.612 ( -7.243 -0.526 25.605) 26.615 7.003 ( 0.240 -0.717 18.404) 18.419 7.344 ( 2.472 1.743 30.827) 30.975 8.037 ( 16.517 9.537 16.993) 25.545 8.690 ( -3.544 -2.033 -7.683) 8.702 8.932 ( -2.628 -0.617 -2.262) 3.522 9.035 ( 0.106 -3.064 -4.858) 5.745 9.123 ( 0.541 2.674 -5.536) 6.172 10.083 ( 2.607 0.192 3.332) 4.235 10.309 ( 7.907 8.408 2.961) 11.916 10.377 ( 9.550 2.847 8.704) 13.231 10.850 ( -4.252 -1.876 10.344) 11.341 10.885 ( -4.263 -2.707 7.199) 8.794 10.995 ( -0.709 -0.892 7.473) 7.560 11.656 ( -2.170 -0.976 -11.976) 12.210 11.800 ( 0.523 0.160 5.629) 5.656 11.873 ( -0.960 -0.294 -10.001) 10.051 12.043 ( -0.593 -1.779 4.119) 4.526 12.120 ( -1.938 -0.006 4.951) 5.316 12.751 ( -11.125 -5.956 -13.156) 18.230 13.192 ( -2.471 2.179 12.860) 13.275 13.247 ( 6.896 -1.166 0.683) 7.027 13.706 ( 8.003 6.285 -7.925) 12.898 14.061 ( 9.996 5.688 -15.393) 19.215 14.428 ( -3.601 -3.631 -18.518) 19.211 14.546 ( -15.708 -7.938 8.846) 19.698 15.163 ( 1.903 0.991 8.736) 8.996 15.617 ( 0.940 0.606 -6.936) 7.026 15.998 ( 9.236 5.224 -2.123) 10.821 16.814 ( -8.972 -4.388 6.831) 12.100 17.321 ( -1.705 -3.660 1.735) 4.394 17.445 ( 0.802 2.551 -4.947) 5.623 17.752 ( -6.230 -3.678 -0.557) 7.256 20.924 ( 1.809 1.052 -4.829) 5.263 21.033 ( -0.658 -0.385 -5.477) 5.530 ======================= Grid point 89 (20/40) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 0.000 11.136) 11.136 1.832 ( -0.000 -0.000 4.978) 4.978 1.962 ( 0.000 0.000 8.923) 8.923 2.127 ( 0.000 0.000 5.331) 5.331 2.185 ( 0.000 0.000 13.414) 13.414 2.242 ( 0.000 0.000 -0.893) 0.893 2.306 ( 0.000 0.000 2.774) 2.774 2.466 ( 0.000 0.000 2.400) 2.400 2.650 ( 0.000 0.000 2.405) 2.405 2.867 ( 0.000 -0.000 1.328) 1.328 2.868 ( -0.000 0.000 4.263) 4.263 3.058 ( 0.000 0.000 -3.432) 3.432 3.108 ( 0.000 -0.000 -2.762) 2.762 3.121 ( -0.000 0.000 -6.547) 6.547 3.331 ( -0.000 0.000 5.335) 5.335 3.368 ( 0.000 0.000 1.047) 1.047 3.479 ( 0.000 0.000 3.986) 3.986 3.627 ( 0.000 0.000 4.003) 4.003 3.672 ( 0.000 0.000 1.418) 1.418 3.762 ( 0.000 -0.000 -3.089) 3.089 3.834 ( 0.000 0.000 -1.899) 1.899 4.015 ( 0.000 0.000 5.530) 5.530 4.103 ( 0.000 -0.000 0.651) 0.651 4.187 ( 0.000 0.000 2.421) 2.421 4.286 ( 0.000 0.000 1.343) 1.343 4.414 ( -0.000 0.000 -0.988) 0.988 4.497 ( 0.000 0.000 -0.770) 0.770 4.559 ( 0.000 0.000 2.115) 2.115 4.644 ( -0.000 -0.000 2.272) 2.272 4.689 ( -0.670 -5.737 -2.218) 6.188 4.689 ( 0.670 5.737 -1.364) 5.935 4.790 ( 0.000 0.000 1.081) 1.081 5.010 ( 0.000 0.000 -3.644) 3.644 5.145 ( 0.000 0.000 -5.834) 5.834 5.420 ( -0.000 0.000 -1.624) 1.624 5.443 ( 0.000 -0.000 0.324) 0.324 5.764 ( 0.000 0.000 -1.449) 1.449 5.867 ( 0.000 0.000 0.860) 0.860 5.910 ( 0.000 -0.000 -2.314) 2.314 6.034 ( 0.000 0.000 -1.411) 1.411 6.170 ( 0.000 0.000 -1.816) 1.816 6.332 ( 0.000 0.000 -3.926) 3.926 6.525 ( -0.000 0.000 24.402) 24.402 6.533 ( 0.000 -0.000 27.612) 27.612 7.002 ( 0.000 0.000 18.106) 18.106 7.375 ( 0.000 0.000 30.275) 30.275 8.290 ( 0.000 0.000 11.960) 11.960 8.603 ( 0.000 0.000 0.022) 0.022 8.903 ( 0.000 0.000 -2.156) 2.156 9.016 ( 0.000 0.000 -7.659) 7.659 9.141 ( 0.000 0.000 -5.675) 5.675 10.103 ( 0.000 0.000 5.989) 5.989 10.450 ( 0.000 0.000 3.272) 3.272 10.508 ( 0.000 0.000 7.174) 7.174 10.791 ( 0.000 0.000 6.397) 6.397 10.813 ( 0.000 0.000 7.690) 7.690 10.978 ( 0.000 0.000 6.212) 6.212 11.626 ( 0.000 0.000 -10.823) 10.823 11.803 ( 0.000 0.000 11.016) 11.016 11.862 ( 0.000 0.000 -10.290) 10.290 11.955 ( 0.000 0.000 20.600) 20.600 12.199 ( 0.000 0.000 -13.474) 13.474 12.590 ( 0.000 0.000 -13.349) 13.349 13.180 ( 0.000 0.000 14.199) 14.199 13.322 ( 0.000 0.000 -6.569) 6.569 13.868 ( 0.000 0.000 -3.343) 3.343 14.142 ( 0.000 0.000 0.417) 0.417 14.342 ( -0.000 0.000 -2.125) 2.125 14.364 ( 0.000 0.000 -20.059) 20.059 15.188 ( 0.000 0.000 10.089) 10.089 15.635 ( 0.000 0.000 -9.145) 9.145 16.119 ( 0.000 0.000 -2.359) 2.359 16.696 ( 0.000 0.000 5.938) 5.938 17.271 ( 0.000 0.000 10.009) 10.009 17.469 ( 0.000 0.000 -6.607) 6.607 17.684 ( 0.000 0.000 -6.523) 6.523 20.952 ( 0.000 0.000 -5.004) 5.004 21.021 ( 0.000 0.000 -5.512) 5.512 ======================= Grid point 94 (21/40) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 4.977 10.029 15.461) 19.089 1.449 ( 9.050 14.044 12.355) 20.780 2.029 ( -1.408 -0.329 -0.348) 1.487 2.092 ( 1.846 0.453 -0.467) 1.957 2.228 ( 1.374 3.217 14.712) 15.122 2.387 ( -2.974 -6.285 7.549) 10.263 2.436 ( -3.651 0.351 10.182) 10.822 2.476 ( 0.322 -6.940 4.398) 8.222 2.564 ( 0.053 2.646 2.145) 3.407 2.752 ( -0.264 -4.231 0.429) 4.261 2.892 ( 0.262 5.164 2.347) 5.678 3.024 ( 0.691 3.093 -0.042) 3.170 3.096 ( 0.843 -2.155 -0.077) 2.316 3.130 ( 0.157 -0.440 -2.420) 2.464 3.302 ( -2.887 0.866 -1.271) 3.272 3.373 ( 4.510 1.635 0.730) 4.853 3.527 ( 1.816 -0.270 1.423) 2.323 3.557 ( -1.756 2.251 0.542) 2.906 3.730 ( -0.856 -1.114 0.475) 1.483 3.814 ( -0.800 -3.263 -1.024) 3.512 3.870 ( -1.216 -1.548 3.116) 3.685 4.034 ( -0.609 -1.234 2.529) 2.879 4.047 ( 0.715 1.463 -0.611) 1.739 4.280 ( 1.156 1.740 -3.769) 4.309 4.336 ( -3.632 -3.767 1.529) 5.452 4.384 ( -1.053 -1.330 0.368) 1.736 4.474 ( 1.095 -0.310 -1.936) 2.246 4.533 ( -2.511 -0.652 -1.635) 3.066 4.603 ( 0.274 0.321 -1.601) 1.655 4.672 ( 4.760 -1.726 0.658) 5.106 4.797 ( -1.900 1.445 -8.421) 8.753 4.839 ( -5.107 -4.863 7.068) 9.984 5.003 ( 4.021 0.911 -5.982) 7.265 5.107 ( 0.211 3.746 -4.625) 5.955 5.400 ( -2.864 -2.757 -0.796) 4.055 5.476 ( 1.173 -0.095 -0.996) 1.542 5.797 ( -1.018 -1.734 0.056) 2.011 5.869 ( 0.277 -0.013 2.335) 2.352 5.925 ( -1.100 -0.119 0.479) 1.206 6.019 ( 0.490 -0.647 -2.138) 2.286 6.117 ( 1.796 3.519 -1.432) 4.202 6.303 ( 2.010 3.350 -5.160) 6.472 6.589 ( -4.597 -6.406 27.536) 28.643 6.721 ( -1.216 -5.814 26.855) 27.504 6.893 ( -4.305 -4.993 20.388) 21.428 7.413 ( 4.908 8.151 28.516) 30.061 7.905 ( 9.641 16.726 18.611) 26.815 8.709 ( -1.527 -2.658 -9.508) 9.990 8.975 ( 1.844 -2.748 -6.829) 7.588 9.015 ( -5.159 1.083 1.342) 5.439 9.108 ( 2.366 -0.195 -6.692) 7.101 10.122 ( 1.492 10.873 -3.981) 11.674 10.177 ( 6.369 1.078 10.602) 12.415 10.340 ( 4.424 9.529 8.424) 13.466 10.869 ( -2.328 -4.549 10.765) 11.917 10.950 ( -1.434 -4.090 9.467) 10.412 10.969 ( -1.910 -0.988 6.541) 6.885 11.674 ( -0.776 -1.718 -12.457) 12.599 11.795 ( 0.568 1.182 3.329) 3.578 11.873 ( -0.665 -1.434 -9.546) 9.676 12.039 ( 3.256 6.877 -11.683) 13.942 12.152 ( -5.840 -10.984 20.486) 23.967 12.855 ( -6.392 -12.146 -15.874) 20.985 13.052 ( -1.915 -3.316 8.234) 9.081 13.347 ( 2.829 8.194 14.295) 16.718 13.645 ( 6.163 7.572 -13.690) 16.815 13.988 ( 6.246 11.208 -15.810) 20.362 14.450 ( -2.114 -2.532 -20.826) 21.086 14.642 ( -9.835 -17.798 10.054) 22.684 15.153 ( 1.233 2.296 8.271) 8.672 15.610 ( 0.386 0.569 -6.021) 6.061 15.942 ( 6.478 11.363 -2.082) 13.244 16.861 ( -5.798 -11.170 6.848) 14.327 17.363 ( -3.347 1.985 -8.014) 8.909 17.416 ( 3.282 -1.171 2.675) 4.393 17.797 ( -5.118 -8.812 1.663) 10.325 20.913 ( 1.147 1.977 -4.757) 5.278 21.037 ( -0.364 -0.624 -5.453) 5.500 ======================= Grid point 95 (22/40) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.921 10.200 10.069) 14.362 1.749 ( 10.472 6.539 8.385) 14.924 1.972 ( -3.504 -4.797 4.999) 7.764 2.123 ( 1.143 1.913 4.720) 5.220 2.226 ( -2.474 0.208 10.078) 10.380 2.263 ( -2.460 -3.373 -0.290) 4.184 2.347 ( -4.914 0.471 7.709) 9.154 2.443 ( 0.163 -2.695 3.047) 4.071 2.583 ( 4.110 -5.956 5.166) 8.891 2.739 ( 1.486 -1.391 0.801) 2.187 2.991 ( 0.462 6.561 -0.141) 6.579 3.053 ( 0.309 1.309 -2.374) 2.728 3.085 ( 0.222 -0.891 -2.707) 2.858 3.167 ( 1.174 3.184 -2.819) 4.412 3.267 ( 0.298 -0.794 -0.214) 0.874 3.447 ( -0.599 3.256 2.446) 4.116 3.523 ( -2.862 1.989 1.486) 3.789 3.576 ( 3.122 -0.706 3.334) 4.622 3.696 ( -1.311 -1.029 1.732) 2.404 3.768 ( -2.286 -2.933 -1.667) 4.075 3.807 ( 0.199 -2.792 0.020) 2.799 4.033 ( -0.296 1.924 4.444) 4.852 4.087 ( 1.930 0.760 1.403) 2.505 4.203 ( -3.783 -3.629 1.705) 5.512 4.292 ( -0.142 0.233 1.394) 1.421 4.385 ( 1.999 -0.960 2.241) 3.152 4.463 ( -1.173 -3.082 -0.969) 3.437 4.533 ( 1.789 1.815 -1.192) 2.814 4.646 ( 2.249 -2.090 -3.061) 4.335 4.664 ( -2.410 -5.503 6.853) 9.114 4.753 ( 1.207 2.240 1.057) 2.755 4.784 ( -2.870 3.632 -4.304) 6.320 5.103 ( -3.096 4.207 -3.977) 6.565 5.118 ( 2.940 2.666 -4.864) 6.278 5.343 ( 1.140 -4.658 -1.018) 4.902 5.484 ( -0.573 0.608 -0.008) 0.835 5.770 ( -0.652 -0.248 -1.682) 1.821 5.874 ( -0.195 -0.327 0.149) 0.409 5.899 ( -0.213 -0.463 -0.982) 1.106 6.024 ( 0.501 -0.720 -3.217) 3.335 6.187 ( 0.976 3.782 -1.715) 4.266 6.324 ( -0.063 -1.333 -3.981) 4.199 6.499 ( -0.701 -1.757 28.200) 28.263 6.615 ( -5.489 0.486 24.972) 25.572 6.831 ( 5.368 -10.464 21.514) 24.519 7.527 ( -2.870 10.138 26.287) 28.320 8.236 ( 9.468 9.647 13.388) 19.025 8.609 ( -3.924 -6.091 -0.795) 7.288 8.943 ( -3.300 1.092 -1.526) 3.796 8.987 ( 1.832 -1.100 -8.420) 8.687 9.123 ( 0.702 -2.072 -5.995) 6.381 10.167 ( -2.636 6.772 8.268) 11.008 10.388 ( 9.073 1.258 1.875) 9.350 10.478 ( 1.838 3.315 5.679) 6.828 10.806 ( -1.328 -1.406 7.704) 7.943 10.845 ( -3.993 -1.925 6.595) 7.947 10.947 ( 0.948 -2.570 6.719) 7.256 11.645 ( -1.112 -0.143 -11.536) 11.590 11.806 ( -0.249 0.906 10.184) 10.227 11.863 ( 0.801 -0.478 -9.273) 9.320 11.952 ( -3.871 -5.343 20.895) 21.912 12.209 ( 3.900 7.518 -12.941) 15.466 12.610 ( -6.369 -8.559 -14.826) 18.266 13.024 ( 3.581 -6.731 6.002) 9.703 13.497 ( -1.343 15.373 7.406) 17.116 13.840 ( 7.314 5.486 -6.467) 11.199 14.147 ( -2.625 -4.324 -2.124) 5.486 14.262 ( -1.214 -5.125 -8.697) 10.168 14.415 ( -3.324 -4.519 -12.774) 13.952 15.192 ( 0.537 1.447 10.576) 10.688 15.633 ( 0.707 0.909 -9.196) 9.268 16.152 ( 2.922 9.471 -1.988) 10.109 16.644 ( -2.776 -11.724 3.091) 12.438 17.320 ( -2.894 3.359 7.290) 8.532 17.453 ( 1.595 -1.635 3.321) 4.030 17.674 ( -1.395 -3.438 -11.366) 11.956 20.954 ( 0.827 1.755 -5.067) 5.426 21.019 ( -0.459 -1.003 -5.481) 5.590 ======================= Grid point 96 (23/40) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -8.777 4.322 9.923) 13.934 1.728 ( -10.985 -5.243 8.716) 14.970 1.980 ( 5.676 0.194 4.187) 7.056 2.144 ( -4.186 -2.198 6.857) 8.328 2.214 ( 3.640 5.091 4.893) 7.944 2.253 ( 3.128 -0.027 4.605) 5.567 2.349 ( 2.038 4.902 4.669) 7.070 2.436 ( 2.354 -2.749 4.887) 6.081 2.593 ( 3.229 -6.039 5.904) 9.042 2.738 ( 0.041 -1.923 0.520) 1.993 2.992 ( -4.285 2.678 -0.372) 5.067 3.067 ( -0.896 0.697 -2.110) 2.397 3.078 ( -0.527 -1.197 -3.475) 3.713 3.146 ( -3.731 1.230 -2.896) 4.881 3.306 ( 2.704 -2.489 -1.636) 4.023 3.411 ( -5.195 3.607 3.957) 7.460 3.510 ( -0.784 2.696 3.451) 4.449 3.610 ( 0.212 -2.553 2.477) 3.563 3.708 ( 1.766 2.598 1.534) 3.496 3.721 ( 2.422 -1.599 -2.148) 3.610 3.833 ( 3.225 -1.079 -0.307) 3.414 4.033 ( -1.911 1.347 6.586) 6.989 4.078 ( -1.224 -1.067 -0.875) 1.844 4.218 ( 5.706 1.068 2.410) 6.285 4.284 ( -0.478 0.306 2.056) 2.133 4.394 ( 0.208 -2.757 -1.180) 3.006 4.477 ( 4.344 -0.457 1.172) 4.523 4.557 ( -1.931 -2.750 -1.478) 3.672 4.599 ( -1.490 0.397 -2.049) 2.564 4.622 ( 1.340 0.741 4.283) 4.548 4.775 ( 0.085 0.328 4.733) 4.745 4.815 ( 1.005 1.431 -5.501) 5.773 5.045 ( -5.225 3.114 -4.357) 7.483 5.168 ( -1.705 0.968 -5.428) 5.771 5.349 ( 4.353 -3.818 -0.794) 5.844 5.477 ( -1.002 1.195 0.247) 1.579 5.771 ( 0.576 0.435 -1.646) 1.797 5.864 ( 0.083 0.089 0.701) 0.711 5.914 ( 1.241 -0.213 -1.408) 1.888 6.019 ( -0.094 -0.709 -3.630) 3.700 6.188 ( -3.690 1.026 -1.469) 4.102 6.322 ( 1.140 -0.590 -4.026) 4.226 6.508 ( 2.601 -0.864 28.525) 28.657 6.598 ( 1.164 5.238 24.852) 25.425 6.840 ( 6.916 -9.588 21.316) 24.374 7.526 ( -7.459 7.612 26.357) 28.430 8.236 ( -13.082 -3.363 13.397) 19.024 8.609 ( 7.210 0.351 -0.871) 7.271 8.929 ( -0.213 2.300 -4.875) 5.395 9.019 ( 2.421 -1.234 -3.026) 4.067 9.104 ( -0.113 -1.409 -7.992) 8.116 10.184 ( -3.309 6.453 9.232) 11.740 10.353 ( -7.278 -6.756 1.072) 9.988 10.498 ( -3.295 -1.246 5.358) 6.412 10.801 ( 1.563 0.671 7.392) 7.585 10.844 ( 3.689 2.270 7.398) 8.573 10.953 ( 2.173 -2.141 6.460) 7.144 11.641 ( 0.465 0.993 -11.281) 11.335 11.809 ( -0.626 0.668 10.788) 10.826 11.856 ( 0.134 -0.763 -8.695) 8.729 11.962 ( 7.052 0.320 19.848) 21.066 12.206 ( -8.971 0.500 -13.339) 16.083 12.605 ( 10.259 1.308 -14.709) 17.981 13.025 ( 4.048 -6.346 5.651) 9.412 13.516 ( -11.745 8.910 9.399) 17.484 13.812 ( -8.737 -3.518 -9.087) 13.087 14.141 ( 3.607 0.192 -3.059) 4.733 14.301 ( 7.899 -3.327 -3.027) 9.090 14.393 ( 3.899 2.053 -16.722) 17.293 15.193 ( -1.444 0.227 10.550) 10.651 15.632 ( -1.185 -0.141 -9.124) 9.202 16.154 ( -9.637 2.175 -2.155) 10.112 16.636 ( 11.048 -3.221 3.256) 11.960 17.352 ( 0.882 5.430 13.107) 14.214 17.424 ( -1.331 -3.590 -3.699) 5.324 17.676 ( 3.731 -0.562 -10.193) 10.869 20.954 ( -1.937 0.164 -5.065) 5.426 21.019 ( 1.099 -0.106 -5.481) 5.591 ======================= Grid point 101 (24/40) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.000 -0.000 5.331) 5.331 1.851 ( -2.543 -5.086 8.507) 10.232 1.851 ( 2.543 5.086 8.507) 10.232 2.203 ( -1.051 -2.102 9.785) 10.063 2.203 ( 1.051 2.102 9.785) 10.063 2.213 ( 0.000 -0.000 -6.432) 6.432 2.390 ( -0.487 -0.973 7.160) 7.243 2.390 ( 0.487 0.973 7.160) 7.243 2.463 ( -0.000 0.000 1.320) 1.320 2.746 ( -0.000 -0.000 2.027) 2.027 3.063 ( 0.000 -0.000 -3.060) 3.060 3.065 ( -0.212 -0.425 -3.497) 3.529 3.065 ( 0.212 0.425 -3.497) 3.529 3.237 ( -1.381 -2.763 -3.451) 4.631 3.237 ( 1.381 2.763 -3.451) 4.631 3.502 ( -0.000 -0.000 6.090) 6.090 3.565 ( -0.618 -1.236 2.870) 3.185 3.565 ( 0.618 1.236 2.870) 3.185 3.680 ( -0.000 -0.000 -1.046) 1.046 3.738 ( -1.293 -2.586 1.556) 3.284 3.738 ( 1.293 2.586 1.556) 3.284 4.090 ( -0.000 0.000 -0.675) 0.675 4.111 ( -2.044 -4.089 3.834) 5.966 4.111 ( 2.044 4.089 3.834) 5.966 4.343 ( -1.762 -3.524 1.782) 4.324 4.343 ( 1.762 3.524 1.782) 4.324 4.413 ( -0.000 -0.000 3.424) 3.424 4.555 ( -0.000 -0.000 -0.846) 0.846 4.608 ( -0.157 -0.314 2.357) 2.383 4.608 ( 0.157 0.314 2.357) 2.383 4.806 ( -0.695 -1.389 -2.644) 3.067 4.806 ( 0.695 1.389 -2.644) 3.067 5.170 ( -0.843 -1.685 -4.481) 4.861 5.170 ( 0.843 1.685 -4.481) 4.861 5.258 ( -0.000 0.000 0.073) 0.073 5.488 ( -0.000 -0.000 1.138) 1.138 5.769 ( -0.000 -0.000 -2.539) 2.539 5.880 ( -0.582 -1.163 -0.940) 1.605 5.880 ( 0.582 1.163 -0.940) 1.605 6.016 ( -0.000 -0.000 -5.172) 5.172 6.269 ( -1.648 -3.296 -2.631) 4.528 6.269 ( 1.648 3.296 -2.631) 4.528 6.486 ( -0.000 -0.000 30.361) 30.361 6.664 ( -2.372 -4.744 22.984) 23.588 6.664 ( 2.372 4.744 22.984) 23.588 7.643 ( -0.000 -0.000 24.383) 24.383 8.440 ( -4.341 -8.682 7.881) 12.503 8.440 ( 4.341 8.682 7.881) 12.503 8.968 ( -0.773 -1.545 -5.940) 6.186 8.968 ( 0.773 1.545 -5.940) 6.186 9.092 ( -0.000 -0.000 -7.004) 7.004 10.263 ( -0.000 -0.000 15.714) 15.714 10.446 ( -2.301 -4.601 -0.096) 5.145 10.446 ( 2.301 4.601 -0.096) 5.145 10.808 ( -0.604 -1.208 6.656) 6.792 10.808 ( 0.604 1.208 6.656) 6.792 10.918 ( -0.000 -0.000 6.843) 6.843 11.646 ( -0.000 -0.000 -12.168) 12.168 11.854 ( -0.068 -0.117 -12.975) 12.976 11.854 ( -1.424 -2.975 19.001) 19.285 11.854 ( 1.492 3.092 19.046) 19.353 12.403 ( -4.709 -9.418 -14.287) 17.749 12.403 ( 4.709 9.418 -14.287) 17.749 12.958 ( -0.000 -0.000 4.718) 4.718 13.842 ( -7.097 -14.194 11.941) 19.860 13.842 ( 7.097 14.194 11.941) 19.860 13.904 ( -0.000 -0.000 -12.102) 12.102 14.323 ( -1.924 -3.848 -16.445) 16.998 14.323 ( 1.924 3.848 -16.445) 16.998 15.208 ( -0.000 -0.000 11.798) 11.798 15.646 ( -0.000 -0.000 -10.560) 10.560 16.382 ( -5.560 -11.120 -0.676) 12.451 16.382 ( 5.560 11.120 -0.676) 12.451 17.400 ( -1.254 -2.508 11.387) 11.727 17.400 ( 1.254 2.508 11.387) 11.727 17.631 ( 0.000 -0.000 -21.291) 21.291 20.991 ( -0.745 -1.489 -5.343) 5.596 20.991 ( 0.745 1.489 -5.343) 5.596 ======================= Grid point 129 (25/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.000 0.000 17.561) 17.561 1.408 ( 0.000 0.000 17.561) 17.561 1.949 ( 0.000 0.000 -4.750) 4.750 1.949 ( 0.000 -0.000 -4.750) 4.750 2.447 ( 0.000 -0.000 2.788) 2.788 2.447 ( -0.000 0.000 2.788) 2.788 2.660 ( 0.000 -0.000 5.949) 5.949 2.771 ( 0.000 0.000 23.343) 23.343 2.862 ( 0.000 0.000 2.057) 2.057 2.885 ( 0.000 0.000 -2.407) 2.407 2.885 ( 0.000 0.000 -2.407) 2.407 2.958 ( 0.000 -0.000 5.112) 5.112 3.191 ( 0.000 -0.000 3.267) 3.267 3.191 ( 0.000 0.000 3.267) 3.267 3.263 ( 0.000 0.000 -1.357) 1.357 3.263 ( 0.000 0.000 -1.357) 1.357 3.512 ( 0.000 -0.000 -0.472) 0.472 3.512 ( 0.000 0.000 -0.472) 0.472 3.828 ( 0.000 -0.000 -3.568) 3.568 3.828 ( 0.000 0.000 -3.568) 3.568 3.830 ( 0.000 -0.000 -0.522) 0.522 3.953 ( 0.000 0.000 -6.881) 6.881 4.017 ( 0.000 0.000 3.794) 3.794 4.190 ( 0.000 0.000 8.680) 8.680 4.413 ( -0.000 -0.000 -1.324) 1.324 4.413 ( -0.000 0.000 -1.324) 1.324 4.426 ( 0.000 -0.000 -15.657) 15.657 4.585 ( -0.000 -0.000 -0.710) 0.710 4.585 ( 0.000 0.000 -0.710) 0.710 4.634 ( 0.000 -0.000 3.763) 3.763 4.634 ( -0.000 0.000 3.763) 3.763 4.813 ( -0.000 0.000 -7.812) 7.812 4.813 ( 0.000 0.000 -7.812) 7.812 4.991 ( -0.000 0.000 -10.748) 10.748 5.526 ( 0.000 0.000 2.059) 2.059 5.540 ( -0.000 0.000 4.707) 4.707 5.919 ( 0.000 0.000 0.468) 0.468 5.919 ( 0.000 -0.000 0.468) 0.468 5.960 ( -0.000 0.000 4.139) 4.139 6.004 ( 0.000 -0.000 -1.648) 1.648 6.004 ( 0.000 -0.000 -1.648) 1.648 6.075 ( 0.000 -0.000 2.047) 2.047 7.359 ( 0.000 0.000 22.208) 22.208 7.359 ( 0.000 0.000 22.208) 22.208 7.505 ( 0.000 -0.000 14.945) 14.945 7.876 ( 0.000 0.000 28.367) 28.367 7.876 ( 0.000 -0.000 28.367) 28.367 8.475 ( 0.000 -0.000 -14.432) 14.432 8.937 ( 0.000 -0.000 4.333) 4.333 8.937 ( 0.000 -0.000 4.333) 4.333 9.186 ( 0.000 0.000 6.298) 6.298 9.684 ( 0.000 0.000 -8.627) 8.627 10.291 ( 0.000 0.000 0.811) 0.811 10.291 ( 0.000 0.000 0.811) 0.811 11.144 ( 0.000 0.000 7.381) 7.381 11.144 ( 0.000 0.000 7.381) 7.381 11.422 ( -0.000 -0.000 -9.879) 9.879 11.422 ( -0.000 0.000 -9.879) 9.879 11.598 ( -0.000 0.000 28.799) 28.799 11.812 ( 0.000 0.000 -2.608) 2.608 11.812 ( 0.000 0.000 -2.608) 2.608 12.770 ( 0.000 0.000 14.887) 14.887 12.876 ( -0.000 0.000 -26.989) 26.989 12.876 ( -0.000 0.000 -26.989) 26.989 13.167 ( 0.000 0.000 -19.975) 19.975 13.605 ( 0.000 0.000 22.886) 22.886 13.605 ( 0.000 0.000 22.886) 22.886 14.015 ( -0.000 0.000 -23.957) 23.957 14.967 ( 0.000 -0.000 -16.210) 16.210 14.967 ( 0.000 -0.000 -16.210) 16.210 15.768 ( -0.000 0.000 16.433) 16.433 15.768 ( 0.000 0.000 16.433) 16.433 17.015 ( 0.000 0.000 -18.786) 18.786 17.015 ( 0.000 -0.000 -18.786) 18.786 17.614 ( -0.000 0.000 21.884) 21.884 18.239 ( 0.000 -0.000 1.503) 1.503 20.785 ( -0.000 0.000 -3.142) 3.142 20.926 ( 0.000 -0.000 -6.377) 6.377 ======================= Grid point 130 (26/40) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.776 1.454 15.889) 16.195 1.516 ( 8.236 4.901 14.089) 17.040 1.953 ( 0.437 0.232 -4.552) 4.579 1.983 ( 2.602 1.545 -4.447) 5.378 2.424 ( -1.415 -0.827 4.631) 4.912 2.468 ( 1.634 0.939 3.409) 3.896 2.635 ( -2.005 -1.186 6.659) 7.055 2.762 ( -7.195 -4.612 5.387) 10.102 2.807 ( -0.987 -0.882 14.613) 14.672 2.850 ( -0.072 3.636 4.963) 6.153 2.887 ( 2.147 -2.012 -0.949) 3.092 2.994 ( 0.657 0.580 1.298) 1.566 3.111 ( -3.829 -2.614 0.400) 4.654 3.144 ( -3.141 -0.901 -0.513) 3.308 3.296 ( 2.914 -1.683 -0.112) 3.367 3.307 ( 0.887 3.552 -1.806) 4.082 3.503 ( -0.682 -0.112 -0.356) 0.777 3.517 ( 0.660 0.060 -1.976) 2.084 3.753 ( -2.631 -1.357 0.183) 2.966 3.826 ( -0.360 -1.028 -4.031) 4.176 3.868 ( -1.284 0.251 -3.398) 3.641 3.960 ( 0.979 0.175 -5.835) 5.919 4.124 ( 7.877 4.646 2.731) 9.544 4.161 ( -2.185 -1.309 5.714) 6.256 4.356 ( -1.644 -0.954 -3.495) 3.979 4.420 ( -0.056 0.060 -0.598) 0.604 4.471 ( 3.345 1.899 -0.134) 3.849 4.580 ( -0.402 0.841 -0.130) 0.941 4.582 ( 0.225 -1.197 -0.152) 1.227 4.622 ( -1.106 -0.341 3.234) 3.434 4.699 ( 3.257 1.841 0.107) 3.743 4.816 ( -0.077 0.124 -7.405) 7.406 4.840 ( 2.915 1.389 -7.203) 7.894 5.002 ( 0.655 0.517 -8.486) 8.527 5.482 ( -2.629 -2.254 2.295) 4.154 5.492 ( -3.503 -1.330 2.935) 4.760 5.862 ( -3.541 -1.951 1.234) 4.227 5.932 ( -0.997 -1.407 1.618) 2.365 5.949 ( 0.161 0.305 1.724) 1.758 5.995 ( -0.850 0.604 -1.833) 2.109 6.037 ( 2.476 0.839 -0.848) 2.748 6.146 ( 4.339 2.526 -1.883) 5.362 7.276 ( -5.471 -4.040 23.638) 24.597 7.292 ( -7.008 -3.020 24.152) 25.329 7.413 ( -2.352 -1.514 18.779) 18.986 7.910 ( 2.103 1.230 25.992) 26.106 8.065 ( 11.110 6.405 17.585) 21.764 8.471 ( -0.373 -0.216 -14.236) 14.243 8.932 ( -0.594 0.524 6.077) 6.128 8.959 ( 2.086 0.233 4.675) 5.125 9.211 ( 1.947 1.257 8.321) 8.638 9.788 ( 7.826 4.477 -9.225) 12.899 10.314 ( 1.927 1.244 0.098) 2.296 10.353 ( 4.785 2.656 -0.015) 5.472 11.116 ( -2.451 -1.046 7.433) 7.897 11.126 ( -2.039 -1.498 7.232) 7.662 11.259 ( -7.822 -4.653 6.556) 11.217 11.423 ( -0.036 0.045 -8.307) 8.307 11.689 ( 4.446 2.565 -2.438) 5.683 11.783 ( -2.316 -1.217 -3.305) 4.215 11.922 ( 7.233 4.049 12.585) 15.070 12.655 ( -11.132 -6.392 -16.705) 21.067 12.690 ( -7.339 -4.165 9.631) 12.805 12.886 ( 0.605 0.353 -26.062) 26.071 13.331 ( 7.223 3.706 -17.469) 19.263 13.626 ( 2.025 2.938 15.146) 15.561 13.680 ( 6.876 2.597 19.996) 21.304 14.029 ( 0.810 0.448 -20.626) 20.646 14.898 ( -6.190 -3.545 -10.582) 12.762 14.992 ( 2.019 1.141 -16.451) 16.614 15.761 ( -0.466 -0.269 16.960) 16.969 15.822 ( 4.557 2.631 10.995) 12.189 16.923 ( -7.198 -4.039 -16.347) 18.312 17.025 ( 0.762 0.308 -19.000) 19.018 17.628 ( 0.965 0.580 19.123) 19.156 18.118 ( -8.986 -5.193 4.653) 11.374 20.798 ( 1.033 0.597 -3.473) 3.672 20.923 ( -0.307 -0.178 -6.337) 6.347 ======================= Grid point 131 (27/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 3.122 1.417 12.205) 12.678 1.744 ( 8.880 5.198 6.555) 12.200 1.977 ( 1.698 1.683 -2.964) 3.808 2.054 ( 2.913 1.680 -3.944) 5.183 2.392 ( -1.301 -1.095 6.901) 7.107 2.503 ( 0.983 -0.942 6.134) 6.283 2.549 ( -6.587 -2.566 7.930) 10.624 2.592 ( -4.416 -2.136 10.432) 11.528 2.753 ( -1.636 -0.174 7.057) 7.246 2.887 ( -0.247 2.601 1.218) 2.883 2.910 ( 2.770 -4.492 2.166) 5.704 2.993 ( 0.066 -0.427 -2.089) 2.134 3.043 ( -3.945 1.722 -2.760) 5.113 3.080 ( -2.058 -1.838 -0.612) 2.827 3.336 ( 4.163 -2.511 -0.245) 4.868 3.356 ( -0.487 4.730 -4.046) 6.243 3.492 ( -0.134 -0.248 -0.526) 0.597 3.547 ( 2.802 0.494 -3.788) 4.737 3.724 ( -0.047 0.239 0.667) 0.710 3.782 ( -6.628 -0.984 -4.467) 8.054 3.788 ( -1.194 -2.688 -4.052) 5.007 3.989 ( 1.393 0.162 -5.528) 5.703 4.122 ( -0.283 0.101 4.790) 4.800 4.297 ( 3.355 0.502 2.998) 4.527 4.374 ( 2.411 2.342 6.675) 7.474 4.435 ( -0.077 1.944 1.874) 2.702 4.482 ( 0.968 -0.711 3.864) 4.046 4.565 ( 0.270 -1.789 1.095) 2.114 4.606 ( -0.898 1.416 1.476) 2.234 4.651 ( 3.793 2.607 0.432) 4.622 4.763 ( 1.853 1.530 0.922) 2.574 4.798 ( -0.599 -1.923 -4.524) 4.952 4.931 ( 4.126 1.812 -7.221) 8.512 5.010 ( -1.153 0.861 -2.864) 3.205 5.397 ( -2.110 -2.755 -0.240) 3.478 5.449 ( -1.097 0.375 0.307) 1.199 5.783 ( -2.797 -1.678 0.510) 3.301 5.886 ( -1.996 -1.719 -1.270) 2.925 5.914 ( -2.080 -1.482 1.069) 2.769 6.002 ( -0.262 1.283 -1.324) 1.862 6.094 ( 2.559 0.904 -1.247) 2.986 6.224 ( 1.655 1.018 -4.449) 4.855 7.131 ( -3.663 -5.444 26.126) 26.938 7.144 ( -6.218 -0.041 25.164) 25.920 7.390 ( -0.258 -0.420 19.341) 19.348 7.952 ( 1.219 0.726 23.054) 23.098 8.287 ( 6.461 3.721 1.791) 7.668 8.457 ( -0.792 -0.478 -13.509) 13.541 8.932 ( -0.709 1.379 6.940) 7.111 9.025 ( 5.328 0.497 11.761) 12.921 9.252 ( 0.064 1.007 12.926) 12.965 9.984 ( 6.981 3.632 -9.913) 12.657 10.393 ( 4.318 3.301 -3.316) 6.367 10.479 ( 4.902 2.384 -2.532) 6.010 11.006 ( -5.884 -2.232 8.558) 10.623 11.045 ( -2.937 -2.881 7.921) 8.925 11.164 ( -1.261 -1.213 9.853) 10.007 11.415 ( -0.847 -0.155 -4.916) 4.991 11.718 ( -2.623 -0.990 -5.759) 6.406 11.803 ( 4.867 2.441 -13.387) 14.452 12.077 ( 5.504 2.650 20.026) 20.937 12.389 ( -10.041 -5.109 -20.932) 23.772 12.519 ( -6.628 -3.791 21.334) 22.660 12.910 ( 1.313 0.834 -26.606) 26.651 13.406 ( 1.360 -1.355 -2.104) 2.849 13.758 ( 4.666 8.338 -4.400) 10.519 13.884 ( 11.074 2.714 12.043) 16.584 14.034 ( -0.411 -0.548 -13.140) 13.158 14.678 ( -11.227 -6.288 1.018) 12.908 15.051 ( 2.562 1.392 -17.083) 17.330 15.751 ( -0.308 -0.182 17.617) 17.621 15.962 ( 6.047 3.495 1.213) 7.089 16.723 ( -8.310 -4.467 -13.283) 16.292 17.043 ( 0.830 0.016 -19.276) 19.294 17.657 ( 1.423 1.136 15.454) 15.561 17.885 ( -8.975 -5.336 9.346) 14.013 20.828 ( 1.354 0.787 -4.221) 4.503 20.912 ( -0.594 -0.347 -6.161) 6.200 ======================= Grid point 132 (28/40) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 0.000 10.184) 10.184 1.851 ( 0.000 0.000 -0.160) 0.160 2.041 ( 0.000 0.000 -1.106) 1.106 2.097 ( 0.000 0.000 -4.559) 4.559 2.343 ( 0.000 0.000 10.741) 10.741 2.446 ( 0.000 -0.000 11.334) 11.334 2.527 ( 0.000 -0.000 5.422) 5.422 2.530 ( 0.000 0.000 13.361) 13.361 2.748 ( 0.000 0.000 5.674) 5.674 2.906 ( 0.000 0.000 1.964) 1.964 2.908 ( 0.000 -0.000 -0.765) 0.765 2.991 ( 0.000 0.000 -3.378) 3.378 3.003 ( 0.000 0.000 -4.260) 4.260 3.048 ( 0.000 0.000 -2.578) 2.578 3.368 ( -0.000 0.000 -1.811) 1.811 3.375 ( 0.000 -0.000 -3.190) 3.190 3.493 ( 0.000 0.000 -2.078) 2.078 3.622 ( 0.000 0.000 -4.024) 4.024 3.663 ( -0.000 0.000 -5.523) 5.523 3.730 ( 0.000 0.000 -6.952) 6.952 3.764 ( 0.000 0.000 4.778) 4.778 4.003 ( 0.000 0.000 -5.442) 5.442 4.127 ( 0.000 0.000 6.623) 6.623 4.299 ( 0.000 0.000 7.163) 7.163 4.387 ( 0.000 -0.000 6.020) 6.020 4.453 ( 0.000 0.000 4.153) 4.153 4.541 ( -0.000 -0.000 4.216) 4.216 4.554 ( 0.000 0.000 0.089) 0.089 4.611 ( 0.000 -0.000 -1.595) 1.595 4.705 ( 0.000 0.000 5.015) 5.015 4.744 ( -0.000 -0.000 -1.449) 1.449 4.820 ( -0.000 0.000 0.793) 0.793 4.975 ( 0.000 0.000 -1.644) 1.644 4.997 ( 0.000 0.000 -6.170) 6.170 5.370 ( 0.000 0.000 -2.135) 2.135 5.446 ( 0.000 0.000 -0.336) 0.336 5.744 ( 0.000 0.000 -0.428) 0.428 5.850 ( 0.000 -0.000 -3.405) 3.405 5.883 ( 0.000 0.000 1.087) 1.087 6.005 ( 0.000 0.000 -1.477) 1.477 6.128 ( 0.000 0.000 -1.863) 1.863 6.237 ( 0.000 0.000 -4.559) 4.559 7.067 ( 0.000 0.000 26.651) 26.651 7.086 ( 0.000 0.000 25.684) 25.684 7.385 ( 0.000 0.000 19.292) 19.292 7.966 ( 0.000 0.000 22.026) 22.026 8.364 ( 0.000 0.000 -6.642) 6.642 8.442 ( 0.000 0.000 -12.345) 12.345 8.932 ( 0.000 0.000 5.802) 5.802 9.111 ( 0.000 0.000 18.195) 18.195 9.234 ( 0.000 0.000 14.970) 14.970 10.066 ( 0.000 0.000 -9.044) 9.044 10.487 ( 0.000 0.000 -11.022) 11.022 10.526 ( 0.000 0.000 -1.617) 1.617 10.943 ( 0.000 0.000 11.249) 11.249 10.988 ( 0.000 0.000 8.404) 8.404 11.145 ( 0.000 0.000 10.498) 10.498 11.402 ( 0.000 0.000 -2.946) 2.946 11.686 ( 0.000 0.000 -7.105) 7.105 11.876 ( 0.000 0.000 -15.618) 15.618 12.165 ( 0.000 0.000 20.772) 20.772 12.237 ( 0.000 0.000 -17.924) 17.924 12.427 ( 0.000 0.000 21.773) 21.773 12.931 ( 0.000 0.000 -27.100) 27.100 13.405 ( 0.000 0.000 1.481) 1.481 13.880 ( 0.000 -0.000 -18.306) 18.306 13.982 ( 0.000 0.000 -1.879) 1.879 14.064 ( 0.000 0.000 8.563) 8.563 14.491 ( 0.000 0.000 7.308) 7.308 15.087 ( 0.000 0.000 -17.554) 17.554 15.747 ( 0.000 0.000 17.812) 17.812 16.048 ( 0.000 0.000 -2.557) 2.557 16.610 ( 0.000 0.000 -12.605) 12.605 17.051 ( 0.000 0.000 -19.301) 19.301 17.705 ( 0.000 0.000 15.773) 15.773 17.739 ( -0.000 -0.000 9.604) 9.604 20.849 ( 0.000 0.000 -4.705) 4.705 20.901 ( 0.000 0.000 -5.959) 5.959 ======================= Grid point 137 (29/40) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 2.404 4.948 12.882) 14.007 1.668 ( 5.384 8.766 9.152) 13.769 1.969 ( 0.878 0.927 -3.911) 4.114 2.032 ( 1.804 3.114 -3.792) 5.228 2.396 ( -0.946 -1.441 6.249) 6.483 2.490 ( -0.491 -0.318 5.315) 5.348 2.590 ( -2.011 -2.787 7.927) 8.640 2.660 ( -1.872 -4.145 8.307) 9.470 2.779 ( 1.727 -5.353 3.071) 6.408 2.801 ( -4.859 -0.990 9.676) 10.873 2.928 ( -0.203 2.752 1.384) 3.087 2.994 ( -0.790 -0.603 -2.218) 2.430 3.050 ( 0.653 -1.906 -2.267) 3.033 3.148 ( 0.596 -0.605 1.398) 1.636 3.260 ( -2.067 -1.071 -3.019) 3.812 3.372 ( 2.468 2.799 -2.851) 4.696 3.510 ( 1.217 0.672 -1.173) 1.818 3.526 ( -0.669 1.474 -2.674) 3.126 3.723 ( -0.294 -0.903 1.744) 1.986 3.783 ( -2.396 -3.566 -4.595) 6.290 3.837 ( -0.833 -3.264 -4.952) 5.989 3.981 ( 0.105 1.567 -5.314) 5.541 4.126 ( -0.241 -0.775 4.312) 4.387 4.262 ( 2.918 6.244 2.400) 7.299 4.356 ( 1.129 1.184 4.283) 4.585 4.424 ( 1.169 0.681 2.949) 3.245 4.513 ( 1.883 -0.142 3.237) 3.748 4.536 ( -3.788 0.153 1.304) 4.009 4.600 ( 0.930 -0.308 1.219) 1.564 4.670 ( 4.306 2.535 -0.194) 5.001 4.703 ( -1.780 1.353 -0.525) 2.296 4.854 ( 1.330 1.266 -5.496) 5.795 4.882 ( 0.979 3.902 -5.127) 6.517 5.018 ( 1.532 0.790 -5.739) 5.992 5.403 ( -3.578 -4.412 1.826) 5.967 5.466 ( 0.224 -0.713 0.136) 0.759 5.804 ( -1.848 -3.174 0.818) 3.763 5.902 ( -1.507 -1.792 0.801) 2.475 5.934 ( -2.078 -0.864 0.342) 2.276 5.972 ( 0.863 -2.784 -2.191) 3.646 6.091 ( 1.573 3.503 -0.912) 3.946 6.212 ( 1.588 2.664 -3.955) 5.026 7.140 ( -3.578 -5.474 25.701) 26.520 7.263 ( -0.757 -4.507 25.637) 26.041 7.308 ( -3.917 -4.243 19.896) 20.717 7.979 ( 2.210 3.791 21.306) 21.753 8.231 ( 4.687 8.142 6.920) 11.668 8.461 ( -0.467 -0.787 -13.794) 13.825 8.940 ( 2.841 0.243 10.129) 10.523 8.992 ( -1.293 3.486 6.017) 7.073 9.240 ( 1.082 0.574 11.951) 12.013 9.951 ( 5.483 10.037 -10.368) 15.437 10.344 ( 1.527 1.750 -1.416) 2.720 10.455 ( 3.170 5.934 -1.783) 6.960 11.033 ( -2.417 -5.314 7.715) 9.675 11.111 ( -1.226 -1.260 7.330) 7.538 11.138 ( -3.418 -5.000 9.964) 11.660 11.423 ( 0.052 -0.342 -5.809) 5.820 11.726 ( -1.498 -3.415 -5.296) 6.477 11.777 ( 2.903 5.495 -11.348) 12.938 12.050 ( 3.628 7.019 19.187) 20.750 12.461 ( -5.826 -11.022 -22.133) 25.403 12.562 ( -4.289 -7.490 20.198) 21.965 12.865 ( -0.880 -1.478 -24.045) 24.106 13.465 ( 1.635 8.258 -12.723) 15.256 13.670 ( 6.523 1.510 8.484) 10.808 13.831 ( 3.529 10.712 11.011) 15.762 14.036 ( -0.260 -0.113 -15.473) 15.475 14.742 ( -6.410 -11.331 -1.889) 13.154 15.039 ( 1.694 3.062 -16.883) 17.241 15.753 ( -0.223 -0.381 17.643) 17.648 15.926 ( 4.032 6.981 3.173) 8.664 16.755 ( -6.165 -11.137 -13.664) 18.675 17.057 ( 1.135 2.605 -19.567) 19.772 17.646 ( 0.780 0.997 16.305) 16.354 17.944 ( -5.845 -9.984 8.436) 14.318 20.820 ( 0.843 1.455 -4.027) 4.364 20.915 ( -0.333 -0.571 -6.219) 6.254 ======================= Grid point 138 (30/40) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.166 5.222 9.334) 10.696 1.835 ( 3.829 4.223 2.001) 6.042 2.006 ( 2.630 -0.443 -1.482) 3.051 2.091 ( 0.996 0.974 -4.518) 4.727 2.358 ( -1.814 -0.583 9.207) 9.403 2.422 ( -0.883 -3.425 10.478) 11.059 2.538 ( -1.984 -0.915 10.116) 10.350 2.613 ( -5.099 2.545 8.934) 10.597 2.716 ( 3.037 -5.569 6.537) 9.109 2.784 ( 1.962 -2.070 3.874) 4.810 2.949 ( 0.272 2.325 -2.651) 3.537 2.988 ( 0.470 0.294 -4.203) 4.239 3.040 ( -0.852 -2.308 -1.646) 2.960 3.104 ( -4.989 2.825 -3.195) 6.563 3.257 ( 3.894 -4.769 -2.071) 6.496 3.438 ( 0.453 3.053 -5.832) 6.598 3.518 ( -1.436 2.604 -1.455) 3.311 3.557 ( 2.748 0.529 -4.241) 5.081 3.712 ( -0.510 -2.329 -5.968) 6.427 3.739 ( 0.579 -1.261 0.669) 1.540 3.751 ( -3.440 -1.703 -2.684) 4.684 4.007 ( 0.629 1.869 -3.673) 4.169 4.136 ( -0.029 1.305 6.202) 6.338 4.271 ( -0.475 -2.846 5.611) 6.309 4.414 ( 1.560 1.973 7.956) 8.344 4.470 ( -2.736 0.753 3.068) 4.179 4.495 ( 3.278 0.461 4.496) 5.583 4.550 ( 0.760 1.546 2.238) 2.824 4.605 ( 0.366 -1.199 -0.326) 1.296 4.687 ( 1.009 -2.590 -0.522) 2.828 4.769 ( 0.716 3.745 2.152) 4.378 4.833 ( -1.587 2.184 1.356) 3.021 4.983 ( 2.962 3.613 -7.318) 8.682 5.040 ( -2.192 1.635 -2.556) 3.743 5.322 ( 0.410 -3.670 -0.090) 3.694 5.469 ( -0.431 1.041 -1.371) 1.774 5.747 ( -1.138 -1.547 -0.391) 1.960 5.863 ( -1.137 -0.457 -2.065) 2.402 5.877 ( -1.436 -1.691 -0.228) 2.230 5.961 ( 1.537 -3.855 -2.687) 4.944 6.151 ( 0.558 3.450 -1.534) 3.816 6.237 ( 0.006 -0.132 -4.074) 4.077 7.072 ( -0.469 -0.040 26.620) 26.624 7.139 ( -6.030 -0.392 25.138) 25.855 7.278 ( 4.562 -8.029 22.160) 24.007 8.031 ( -1.352 4.772 17.580) 18.266 8.357 ( 2.287 2.943 -5.079) 6.299 8.440 ( -0.533 -1.129 -12.621) 12.683 8.983 ( -3.215 3.668 7.359) 8.828 9.048 ( 6.573 1.868 17.073) 18.390 9.227 ( -1.058 -3.975 15.434) 15.973 10.120 ( 0.532 9.080 -10.287) 13.732 10.412 ( 5.246 -1.581 -8.223) 9.882 10.527 ( 0.135 0.514 -1.799) 1.875 10.969 ( -1.019 -0.121 10.680) 10.729 11.015 ( -4.107 -0.499 9.360) 10.234 11.105 ( 1.664 -3.546 9.237) 10.033 11.413 ( -0.694 -0.206 -3.261) 3.341 11.673 ( -0.470 -2.402 -7.376) 7.772 11.900 ( 2.386 6.826 -15.969) 17.530 12.162 ( 1.416 4.387 15.120) 15.807 12.263 ( -4.287 -6.663 -12.581) 14.868 12.418 ( -2.736 -5.704 22.739) 23.602 12.849 ( 2.383 -4.406 -22.650) 23.197 13.536 ( -4.057 11.906 -6.119) 13.988 13.851 ( 8.610 -0.014 -14.373) 16.754 13.952 ( -1.559 -0.482 -1.095) 1.965 14.053 ( 3.550 6.399 7.437) 10.434 14.485 ( -6.103 -11.578 6.762) 14.731 15.096 ( 0.779 2.433 -17.549) 17.734 15.748 ( -0.092 -0.122 18.180) 18.181 16.074 ( 2.338 7.408 -3.564) 8.547 16.535 ( -2.219 -12.464 -11.560) 17.144 17.105 ( -0.709 4.849 -20.774) 21.344 17.679 ( 2.238 0.728 14.042) 14.237 17.758 ( -4.612 -5.837 12.331) 14.401 20.851 ( 0.648 1.298 -4.761) 4.977 20.900 ( -0.398 -0.810 -5.921) 5.989 ======================= Grid point 139 (31/40) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -4.141 2.704 8.934) 10.212 1.842 ( -5.928 -1.431 3.465) 7.014 1.988 ( -1.114 -1.958 -2.009) 3.019 2.088 ( -1.255 -0.197 -4.870) 5.033 2.379 ( 0.484 0.234 9.128) 9.144 2.425 ( 5.290 -1.024 9.895) 11.267 2.530 ( 1.287 2.982 10.875) 11.350 2.586 ( 0.146 2.585 9.059) 9.421 2.754 ( 1.018 0.454 6.217) 6.316 2.770 ( 3.124 -6.611 3.367) 8.049 2.973 ( -1.705 -0.424 -1.356) 2.219 2.985 ( 0.426 -0.545 -3.960) 4.020 3.012 ( 0.506 1.897 -3.242) 3.791 3.103 ( 0.115 5.024 -2.102) 5.447 3.263 ( 2.789 -5.799 -3.520) 7.334 3.426 ( -3.445 1.562 -4.200) 5.652 3.523 ( -1.537 1.964 -2.281) 3.380 3.584 ( -1.503 -3.074 -3.486) 4.884 3.684 ( 3.310 1.653 -5.980) 7.032 3.720 ( 0.068 -0.337 -1.604) 1.641 3.774 ( 2.682 0.251 -0.930) 2.850 4.010 ( -1.583 0.298 -4.161) 4.462 4.132 ( -1.170 0.772 6.636) 6.782 4.288 ( 3.963 -1.672 5.262) 6.796 4.395 ( -3.164 0.787 6.696) 7.448 4.457 ( -1.866 0.705 5.430) 5.785 4.522 ( -0.273 -1.630 2.829) 3.277 4.568 ( -1.649 -0.873 2.208) 2.890 4.575 ( 0.649 1.245 0.314) 1.438 4.680 ( 1.386 -2.803 0.629) 3.189 4.764 ( -3.340 2.200 1.991) 4.468 4.867 ( 0.331 1.098 0.163) 1.158 4.964 ( -4.567 -0.127 -3.120) 5.532 5.033 ( -1.803 2.598 -6.644) 7.358 5.332 ( 3.725 -2.464 0.023) 4.466 5.466 ( -1.032 1.056 -1.216) 1.913 5.748 ( 1.969 0.190 -0.348) 2.008 5.863 ( 1.481 0.144 -1.335) 1.999 5.886 ( 2.335 1.475 -0.871) 2.896 5.949 ( 1.659 -3.614 -2.811) 4.869 6.154 ( -3.066 1.146 -1.597) 3.642 6.236 ( 0.083 -0.053 -4.034) 4.035 7.081 ( 0.259 -0.412 26.078) 26.083 7.126 ( 3.174 5.451 25.935) 26.691 7.283 ( 4.896 -7.607 21.878) 23.674 8.031 ( -3.467 3.562 17.624) 18.312 8.356 ( -3.679 -0.505 -5.219) 6.405 8.441 ( 1.252 -0.115 -12.531) 12.594 8.958 ( -3.119 2.870 10.390) 11.221 9.089 ( -3.550 -3.601 12.904) 13.859 9.208 ( 4.036 -0.426 16.612) 17.100 10.126 ( -7.890 4.087 -10.799) 13.985 10.401 ( -1.603 -5.049 -6.639) 8.494 10.531 ( -0.385 -0.125 -2.786) 2.815 10.960 ( 0.341 1.134 10.248) 10.316 11.026 ( 2.784 3.099 9.611) 10.475 11.108 ( 2.579 -3.523 9.433) 10.395 11.410 ( 0.287 0.622 -3.243) 3.314 11.670 ( 2.029 -0.676 -7.629) 7.923 11.904 ( -6.937 1.193 -15.952) 17.436 12.177 ( -5.768 0.786 22.202) 22.953 12.244 ( 9.071 0.629 -19.743) 21.736 12.418 ( 6.273 -0.447 22.855) 23.704 12.849 ( 2.628 -4.216 -22.444) 22.988 13.568 ( -6.714 11.041 -8.045) 15.222 13.776 ( -6.435 -6.822 -5.914) 11.087 13.990 ( 2.640 -0.826 -9.175) 9.583 14.064 ( -8.077 -0.392 8.528) 11.752 14.481 ( 13.133 -0.358 7.070) 14.920 15.097 ( -2.436 0.517 -17.553) 17.728 15.748 ( 0.155 0.018 18.176) 18.177 16.074 ( -7.596 1.684 -3.597) 8.572 16.533 ( 11.716 -4.223 -11.353) 16.852 17.109 ( -3.550 2.908 -21.294) 21.783 17.671 ( -1.510 -1.165 14.936) 15.058 17.765 ( 7.003 0.717 11.801) 13.741 20.851 ( -1.450 0.090 -4.759) 4.976 20.900 ( 0.902 -0.062 -5.923) 5.991 ======================= Grid point 144 (32/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -0.000 -0.000 6.403) 6.403 1.941 ( -2.268 -4.535 1.188) 5.208 1.941 ( 2.268 4.535 1.188) 5.208 2.086 ( -0.000 -0.000 -6.429) 6.429 2.378 ( -0.248 -0.495 10.762) 10.776 2.378 ( 0.248 0.495 10.762) 10.776 2.552 ( -0.000 -0.000 7.261) 7.261 2.618 ( -0.830 -1.660 10.694) 10.854 2.618 ( 0.830 1.660 10.694) 10.854 2.790 ( -0.000 -0.000 2.379) 2.379 2.993 ( -0.683 -1.366 -3.112) 3.466 2.993 ( 0.683 1.366 -3.112) 3.466 2.996 ( -0.000 -0.000 -2.954) 2.954 3.164 ( -1.616 -3.231 -4.084) 5.452 3.164 ( 1.616 3.231 -4.084) 5.452 3.478 ( -0.000 -0.000 -7.331) 7.331 3.556 ( -0.134 -0.269 -3.541) 3.554 3.556 ( 0.134 0.269 -3.541) 3.554 3.698 ( -0.897 -1.793 -6.458) 6.762 3.698 ( 0.897 1.793 -6.458) 6.762 3.736 ( 0.000 -0.000 4.620) 4.620 4.039 ( -0.000 -0.000 -2.790) 2.790 4.188 ( -1.865 -3.730 7.363) 8.461 4.188 ( 1.865 3.730 7.363) 8.461 4.466 ( -0.977 -1.955 7.343) 7.661 4.466 ( 0.977 1.955 7.343) 7.661 4.491 ( -0.000 -0.000 2.094) 2.094 4.562 ( 0.000 -0.000 2.298) 2.298 4.622 ( -1.098 -2.196 0.212) 2.464 4.622 ( 1.098 2.196 0.212) 2.464 4.836 ( -0.948 -1.896 3.096) 3.752 4.836 ( 0.948 1.896 3.096) 3.752 5.054 ( -0.793 -1.585 -6.024) 6.279 5.054 ( 0.793 1.585 -6.024) 6.279 5.271 ( -0.000 -0.000 1.645) 1.645 5.481 ( -0.000 -0.000 -1.735) 1.735 5.728 ( -0.000 -0.000 -1.043) 1.043 5.861 ( -0.377 -0.754 -0.933) 1.257 5.861 ( 0.377 0.754 -0.933) 1.257 5.905 ( -0.000 -0.000 -5.542) 5.542 6.212 ( -0.980 -1.960 -2.671) 3.455 6.212 ( 0.980 1.960 -2.671) 3.455 7.119 ( -0.000 0.000 30.427) 30.427 7.137 ( -1.496 -2.993 22.637) 22.883 7.137 ( 1.496 2.993 22.637) 22.883 8.085 ( -0.000 -0.000 13.599) 13.599 8.408 ( -0.901 -1.801 -10.206) 10.403 8.408 ( 0.901 1.801 -10.206) 10.403 9.058 ( -0.000 -0.000 8.588) 8.588 9.108 ( -2.214 -4.429 18.176) 18.838 9.108 ( 2.214 4.429 18.176) 18.838 10.313 ( -3.569 -7.137 -12.112) 14.505 10.313 ( 3.569 7.137 -12.112) 14.505 10.515 ( 0.000 -0.000 2.779) 2.779 11.001 ( -0.974 -1.947 12.509) 12.697 11.001 ( 0.974 1.947 12.509) 12.697 11.050 ( 0.000 -0.000 5.145) 5.145 11.410 ( -0.000 -0.000 -2.767) 2.767 11.647 ( -0.000 -0.000 -8.632) 8.632 12.068 ( -3.936 -7.872 -18.439) 20.432 12.068 ( 3.936 7.872 -18.439) 20.432 12.297 ( -2.582 -5.165 23.844) 24.534 12.297 ( 2.582 5.165 23.844) 24.534 12.798 ( -0.000 -0.000 -20.687) 20.687 13.781 ( -3.336 -6.673 -19.642) 21.011 13.781 ( 3.336 6.673 -19.642) 21.011 13.895 ( -0.000 -0.000 11.760) 11.760 14.245 ( -4.732 -9.464 9.726) 14.372 14.245 ( 4.732 9.464 9.726) 14.372 15.126 ( -0.000 -0.000 -17.877) 17.877 15.747 ( -0.000 -0.000 18.596) 18.596 16.273 ( -5.241 -10.483 -8.156) 14.279 16.273 ( 5.241 10.483 -8.156) 14.279 17.169 ( -0.000 -0.000 -23.988) 23.988 17.687 ( -0.460 -0.920 14.632) 14.668 17.687 ( 0.460 0.920 14.632) 14.668 20.878 ( -0.564 -1.128 -5.421) 5.566 20.878 ( 0.564 1.128 -5.421) 5.566 ======================= Grid point 172 (33/40) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 -0.000 10.271) 10.271 1.688 ( 0.000 -0.000 10.271) 10.271 1.844 ( 0.000 0.000 -5.925) 5.925 1.844 ( 0.000 0.000 -5.925) 5.925 2.570 ( -0.000 0.000 8.873) 8.873 2.570 ( -0.000 0.000 8.873) 8.873 2.761 ( 0.000 -0.000 -8.897) 8.897 2.761 ( 0.000 -0.000 -8.897) 8.897 2.787 ( 0.000 0.000 6.166) 6.166 2.862 ( 0.000 -0.000 -0.633) 0.633 3.004 ( 0.000 0.000 0.257) 0.257 3.008 ( 0.000 0.000 1.005) 1.005 3.252 ( -0.000 0.000 0.303) 0.303 3.252 ( -0.000 -0.000 0.303) 0.303 3.255 ( 0.000 0.000 1.290) 1.290 3.255 ( 0.000 -0.000 1.290) 1.290 3.542 ( 0.000 -0.000 5.073) 5.073 3.542 ( -0.000 -0.000 5.073) 5.073 3.698 ( 0.000 -0.000 -8.538) 8.538 3.698 ( -0.000 0.000 -8.538) 8.538 3.886 ( 0.000 0.000 0.276) 0.276 3.899 ( 0.000 0.000 2.577) 2.577 4.117 ( 0.000 -0.000 4.769) 4.769 4.194 ( 0.000 -0.000 -4.958) 4.958 4.381 ( 0.000 -0.000 11.236) 11.236 4.448 ( 0.000 0.000 4.371) 4.371 4.448 ( 0.000 0.000 4.371) 4.371 4.550 ( 0.000 0.000 -4.177) 4.177 4.550 ( 0.000 0.000 -4.177) 4.177 4.682 ( 0.000 -0.000 1.141) 1.141 4.682 ( 0.000 0.000 1.141) 1.141 4.695 ( 0.000 0.000 -17.228) 17.228 4.702 ( 0.000 -0.000 -2.239) 2.239 4.702 ( 0.000 0.000 -2.239) 2.239 5.582 ( -0.000 0.000 2.668) 2.668 5.603 ( -0.000 0.000 0.999) 0.999 5.937 ( 0.000 -0.000 1.282) 1.282 5.937 ( 0.000 -0.000 1.282) 1.282 5.968 ( 0.000 0.000 -1.751) 1.751 5.968 ( 0.000 0.000 -1.751) 1.751 6.034 ( -0.000 0.000 3.102) 3.102 6.080 ( 0.000 -0.000 -1.306) 1.306 7.778 ( 0.000 0.000 18.590) 18.590 7.778 ( 0.000 0.000 18.590) 18.590 7.827 ( -0.000 0.000 16.648) 16.648 8.063 ( 0.000 -0.000 -7.286) 7.286 8.063 ( 0.000 0.000 -7.286) 7.286 8.163 ( -0.000 -0.000 -16.311) 16.311 9.331 ( 0.000 -0.000 8.027) 8.027 9.349 ( 0.000 -0.000 32.752) 32.752 9.349 ( -0.000 0.000 32.752) 32.752 9.504 ( 0.000 -0.000 -8.972) 8.972 10.003 ( 0.000 0.000 -27.469) 27.469 10.003 ( 0.000 -0.000 -27.469) 27.469 11.288 ( 0.000 0.000 6.449) 6.449 11.288 ( 0.000 0.000 6.449) 6.449 11.368 ( 0.000 0.000 -0.517) 0.517 11.368 ( 0.000 0.000 -0.517) 0.517 11.887 ( -0.000 0.000 13.212) 13.212 11.887 ( 0.000 0.000 13.212) 13.212 12.177 ( -0.000 0.000 28.051) 28.051 12.321 ( -0.000 0.000 -26.672) 26.672 12.321 ( 0.000 0.000 -26.672) 26.672 12.713 ( -0.000 -0.000 -24.758) 24.758 13.117 ( 0.000 -0.000 19.264) 19.264 13.542 ( -0.000 -0.000 -22.591) 22.591 14.083 ( 0.000 -0.000 24.084) 24.084 14.083 ( 0.000 0.000 24.084) 24.084 14.560 ( 0.000 0.000 -22.689) 22.689 14.560 ( 0.000 -0.000 -22.689) 22.689 16.166 ( 0.000 0.000 21.516) 21.516 16.166 ( 0.000 0.000 21.516) 21.516 16.605 ( 0.000 0.000 -21.498) 21.498 16.605 ( 0.000 0.000 -21.498) 21.498 17.994 ( 0.000 0.000 15.008) 15.008 18.203 ( 0.000 0.000 -5.692) 5.692 20.755 ( -0.000 0.000 0.541) 0.541 20.810 ( -0.000 0.000 -4.661) 4.661 ======================= Grid point 173 (34/40) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.905 0.526 9.643) 9.700 1.744 ( 4.356 2.381 8.599) 9.929 1.851 ( 0.627 0.571 -5.854) 5.915 1.884 ( 3.037 1.689 -5.600) 6.590 2.566 ( -0.130 -0.193 8.954) 8.957 2.599 ( 2.160 1.360 8.860) 9.221 2.721 ( -2.141 -1.216 -3.429) 4.222 2.776 ( 1.064 0.633 -7.403) 7.506 2.803 ( -0.108 -0.116 4.183) 4.186 2.874 ( 0.911 0.424 -0.556) 1.148 2.987 ( -1.812 -1.043 1.274) 2.448 3.008 ( -0.156 0.067 -0.780) 0.799 3.150 ( -6.526 -1.717 3.670) 7.681 3.163 ( -3.358 -4.328 2.713) 6.113 3.239 ( -3.086 -0.683 -4.604) 5.584 3.251 ( -1.107 -1.472 -4.689) 5.038 3.530 ( -0.472 -0.682 4.640) 4.714 3.556 ( 0.236 0.510 6.045) 6.071 3.675 ( -1.919 -1.088 -7.950) 8.250 3.713 ( 0.061 0.131 -8.098) 8.100 3.854 ( -2.885 -1.774 1.070) 3.552 3.871 ( -0.730 -0.374 -2.080) 2.235 4.211 ( 6.876 4.055 4.096) 8.972 4.222 ( 2.161 1.171 3.232) 4.060 4.428 ( 3.412 2.029 9.069) 9.900 4.462 ( 1.118 0.439 4.388) 4.549 4.491 ( 3.495 2.205 2.632) 4.899 4.553 ( 0.274 -0.025 -3.465) 3.476 4.567 ( 1.249 0.844 -3.257) 3.589 4.671 ( -1.108 0.796 -0.523) 1.461 4.692 ( 1.511 -1.893 -4.136) 4.793 4.706 ( 1.242 0.781 -5.863) 6.043 4.729 ( 2.480 2.893 0.606) 3.858 4.780 ( 5.050 2.749 -7.643) 9.565 5.529 ( -3.623 -2.137 2.038) 4.675 5.543 ( -4.531 -2.588 1.034) 5.319 5.893 ( -3.231 -1.781 1.831) 4.118 5.931 ( -2.425 -2.077 -1.537) 3.544 5.967 ( 0.866 1.441 0.158) 1.688 5.975 ( -0.262 -0.399 -0.239) 0.534 6.049 ( 1.529 0.782 2.164) 2.763 6.102 ( 1.666 0.961 -2.595) 3.230 7.702 ( -5.482 -2.643 17.116) 18.166 7.718 ( -5.693 -4.025 16.680) 18.079 7.778 ( -0.891 -0.266 17.040) 17.065 8.060 ( -0.362 -0.403 -8.529) 8.546 8.119 ( 2.493 1.668 -7.383) 7.969 8.177 ( 0.878 0.440 -13.752) 13.787 9.335 ( -0.676 -0.042 23.938) 23.947 9.385 ( 3.983 1.264 29.695) 29.988 9.417 ( 5.582 3.943 18.152) 19.396 9.601 ( 6.656 3.808 -7.271) 10.568 10.017 ( 1.321 0.752 -27.134) 27.177 10.052 ( 3.719 2.161 -27.402) 27.737 11.269 ( -1.380 -0.976 7.390) 7.581 11.285 ( -0.858 -0.140 8.086) 8.132 11.365 ( 0.116 -0.303 0.381) 0.501 11.402 ( 2.477 1.616 -0.909) 3.094 11.716 ( -8.977 -5.278 12.145) 15.998 11.859 ( -2.260 -1.114 14.554) 14.770 12.145 ( -10.348 -6.375 -25.516) 28.263 12.314 ( -0.135 0.993 -21.120) 21.144 12.367 ( 10.072 5.067 19.049) 22.135 12.876 ( 9.438 5.420 -24.353) 26.674 13.068 ( -3.654 -2.108 19.844) 20.288 13.498 ( -3.032 -1.725 -21.738) 22.016 14.120 ( 2.763 1.684 22.782) 23.010 14.129 ( 3.686 2.026 22.045) 22.443 14.567 ( 0.306 0.195 -20.352) 20.355 14.585 ( 1.973 1.126 -22.424) 22.538 16.143 ( -1.748 -1.001 19.053) 19.159 16.166 ( 0.044 0.015 21.747) 21.747 16.545 ( -4.818 -2.763 -20.074) 20.828 16.610 ( 0.382 0.205 -21.719) 21.724 17.969 ( -1.815 -1.046 13.314) 13.477 18.138 ( -4.889 -2.825 -3.327) 6.554 20.761 ( 0.435 0.251 0.155) 0.526 20.809 ( -0.084 -0.049 -4.429) 4.430 ======================= Grid point 174 (35/40) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.222 0.696 8.586) 8.701 1.832 ( 2.304 -0.295 1.015) 2.535 1.910 ( 3.855 4.109 -2.135) 6.025 1.963 ( 2.956 1.652 -4.681) 5.778 2.565 ( 0.543 -0.550 8.880) 8.913 2.653 ( -0.448 2.504 6.898) 7.352 2.675 ( 0.268 -1.957 2.413) 3.118 2.771 ( -1.206 -1.495 7.685) 7.921 2.808 ( 0.843 1.449 -4.321) 4.635 2.896 ( 1.271 -0.103 -0.164) 1.285 2.912 ( -4.341 -2.347 1.056) 5.047 2.972 ( -2.314 -1.328 -0.554) 2.725 3.037 ( -4.492 0.096 4.314) 6.229 3.083 ( -1.770 -3.263 1.257) 3.919 3.190 ( -1.317 1.365 -9.568) 9.754 3.227 ( 0.842 -1.731 -9.303) 9.500 3.511 ( -1.100 -2.311 1.627) 3.033 3.532 ( -1.633 -0.656 2.010) 2.671 3.631 ( -1.847 0.399 -4.614) 4.986 3.648 ( -4.574 -1.749 -5.938) 7.697 3.829 ( 1.228 -0.559 2.037) 2.444 3.876 ( 0.580 0.781 -4.178) 4.290 4.288 ( 3.015 1.712 9.609) 10.215 4.369 ( 4.555 2.539 2.000) 5.585 4.489 ( 0.683 1.249 4.582) 4.799 4.505 ( 2.921 1.886 4.856) 5.972 4.545 ( 0.473 0.512 0.790) 1.054 4.565 ( 1.105 -0.566 -1.472) 1.926 4.629 ( 1.521 0.690 0.719) 1.819 4.670 ( 0.010 0.823 -1.118) 1.389 4.716 ( 4.127 1.194 -1.569) 4.574 4.761 ( 3.355 0.862 -7.646) 8.394 4.816 ( 2.803 2.901 3.641) 5.434 4.913 ( 4.816 3.512 -5.463) 8.085 5.422 ( -4.185 -2.997 1.789) 5.450 5.448 ( -2.723 -1.349 -0.611) 3.100 5.805 ( -3.722 -2.273 1.651) 4.663 5.846 ( -3.764 -2.616 -2.266) 5.113 5.944 ( -1.673 -0.995 1.710) 2.591 5.976 ( -0.662 0.395 -1.370) 1.572 6.092 ( 1.679 0.792 1.209) 2.216 6.142 ( 1.236 0.735 -3.528) 3.809 7.580 ( -4.703 -1.350 16.422) 17.135 7.587 ( -3.575 -3.548 16.796) 17.535 7.762 ( -0.668 -0.199 16.637) 16.652 8.043 ( -0.600 -0.691 -10.550) 10.590 8.152 ( 0.202 0.658 -9.129) 9.155 8.194 ( 0.601 0.079 -11.325) 11.341 9.321 ( -0.560 -0.068 26.594) 26.600 9.505 ( 6.185 1.998 27.085) 27.854 9.566 ( 4.526 4.183 19.481) 20.433 9.749 ( 4.697 2.431 -11.392) 12.559 10.074 ( 3.340 1.871 -24.736) 25.031 10.147 ( 3.353 2.029 -27.285) 27.565 11.226 ( -1.818 -1.420 9.348) 9.629 11.237 ( -3.305 -0.887 11.757) 12.245 11.379 ( 1.888 -0.282 4.119) 4.540 11.466 ( 1.384 1.308 2.978) 3.535 11.555 ( -3.540 -2.057 -3.755) 5.556 11.797 ( -2.792 -1.093 18.057) 18.304 11.918 ( -7.391 -4.754 -23.332) 24.932 12.309 ( -0.524 0.244 -27.085) 27.092 12.580 ( 7.107 3.767 22.935) 24.305 12.963 ( -3.954 -2.215 22.593) 23.043 13.073 ( 5.864 3.058 -23.173) 24.099 13.431 ( -2.236 -0.997 -22.878) 23.009 14.190 ( 2.373 1.660 20.509) 20.713 14.243 ( 5.526 2.751 17.609) 18.660 14.558 ( -1.354 -0.617 -12.119) 12.210 14.640 ( 2.307 1.250 -22.011) 22.167 16.099 ( -1.443 -0.805 12.033) 12.146 16.167 ( 0.062 -0.010 22.196) 22.196 16.402 ( -6.191 -3.515 -16.740) 18.191 16.620 ( 0.382 0.183 -22.140) 22.144 17.927 ( -1.272 -0.697 9.634) 9.743 18.010 ( -4.958 -2.897 1.616) 5.966 20.774 ( 0.573 0.333 -0.769) 1.015 20.805 ( -0.183 -0.107 -3.813) 3.818 ======================= Grid point 175 (36/40) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 0.000 8.100) 8.100 1.847 ( 0.000 0.000 -1.268) 1.268 1.990 ( -0.000 -0.000 -2.579) 2.579 1.995 ( 0.000 0.000 -4.109) 4.109 2.573 ( 0.000 0.000 9.363) 9.363 2.622 ( -0.000 0.000 4.704) 4.704 2.688 ( 0.000 -0.000 9.364) 9.364 2.780 ( 0.000 0.000 9.052) 9.052 2.812 ( -0.000 0.000 -0.240) 0.240 2.840 ( 0.000 0.000 -4.022) 4.022 2.906 ( 0.000 0.000 -3.437) 3.437 2.952 ( 0.000 -0.000 2.100) 2.100 2.995 ( 0.000 0.000 4.300) 4.300 3.035 ( 0.000 -0.000 0.732) 0.732 3.194 ( 0.000 -0.000 -10.624) 10.624 3.235 ( 0.000 -0.000 -10.755) 10.755 3.468 ( 0.000 0.000 -0.891) 0.891 3.518 ( -0.000 -0.000 -6.335) 6.335 3.582 ( 0.000 0.000 1.428) 1.428 3.626 ( 0.000 0.000 -2.433) 2.433 3.842 ( 0.000 -0.000 1.796) 1.796 3.887 ( 0.000 0.000 -4.352) 4.352 4.334 ( 0.000 0.000 9.944) 9.944 4.412 ( 0.000 0.000 2.430) 2.430 4.497 ( 0.000 -0.000 6.030) 6.030 4.536 ( 0.000 0.000 2.695) 2.695 4.564 ( 0.000 0.000 -0.078) 0.078 4.594 ( -0.000 -0.000 -1.525) 1.525 4.618 ( 0.000 0.000 2.980) 2.980 4.672 ( 0.000 -0.000 -3.360) 3.360 4.792 ( -0.000 0.000 -2.440) 2.440 4.812 ( 0.000 0.000 -6.911) 6.911 4.854 ( 0.000 0.000 7.666) 7.666 4.975 ( 0.000 0.000 -3.236) 3.236 5.368 ( 0.000 0.000 1.966) 1.966 5.419 ( 0.000 0.000 -2.287) 2.287 5.748 ( 0.000 0.000 0.926) 0.926 5.785 ( 0.000 -0.000 -2.716) 2.716 5.920 ( 0.000 0.000 2.449) 2.449 5.969 ( 0.000 0.000 -2.170) 2.170 6.113 ( 0.000 0.000 0.638) 0.638 6.155 ( 0.000 0.000 -3.358) 3.358 7.529 ( 0.000 -0.000 16.431) 16.431 7.534 ( -0.000 0.000 17.102) 17.102 7.754 ( 0.000 0.000 16.168) 16.168 8.033 ( 0.000 0.000 -11.386) 11.386 8.155 ( 0.000 -0.000 -9.433) 9.433 8.200 ( 0.000 0.000 -10.759) 10.759 9.316 ( 0.000 0.000 27.273) 27.273 9.587 ( 0.000 0.000 23.585) 23.585 9.627 ( 0.000 0.000 23.226) 23.226 9.802 ( 0.000 -0.000 -14.911) 14.911 10.130 ( 0.000 0.000 -22.356) 22.356 10.187 ( 0.000 0.000 -27.374) 27.374 11.195 ( -0.000 0.000 11.329) 11.329 11.196 ( 0.000 -0.000 12.085) 12.085 11.418 ( 0.000 0.000 17.046) 17.046 11.438 ( -0.000 0.000 -4.669) 4.669 11.549 ( 0.000 0.000 -15.386) 15.386 11.761 ( 0.000 0.000 21.304) 21.304 11.819 ( 0.000 0.000 -21.423) 21.423 12.305 ( 0.000 0.000 -27.881) 27.881 12.670 ( 0.000 0.000 22.382) 22.382 12.905 ( 0.000 0.000 24.466) 24.466 13.143 ( -0.000 0.000 -21.662) 21.662 13.406 ( 0.000 0.000 -24.824) 24.824 14.222 ( 0.000 0.000 19.752) 19.752 14.328 ( 0.000 0.000 12.525) 12.525 14.526 ( 0.000 0.000 -4.060) 4.060 14.672 ( 0.000 0.000 -21.818) 21.818 16.084 ( 0.000 0.000 6.957) 6.957 16.168 ( 0.000 0.000 22.398) 22.398 16.313 ( 0.000 0.000 -14.534) 14.534 16.624 ( 0.000 -0.000 -22.341) 22.341 17.924 ( 0.000 0.000 6.142) 6.142 17.932 ( -0.000 -0.000 5.749) 5.749 20.782 ( 0.000 0.000 -1.431) 1.431 20.802 ( 0.000 0.000 -3.304) 3.304 ======================= Grid point 180 (37/40) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 1.223 2.035 8.457) 8.784 1.816 ( 1.004 4.703 5.252) 7.121 1.878 ( 2.628 1.241 -4.587) 5.430 1.940 ( 1.828 3.371 -5.250) 6.501 2.560 ( -0.502 0.010 9.103) 9.117 2.639 ( 1.294 1.124 7.599) 7.790 2.702 ( -0.026 0.229 -0.446) 0.502 2.770 ( -1.216 -0.582 -0.283) 1.378 2.794 ( 0.077 -1.340 3.481) 3.731 2.904 ( 0.301 2.366 -1.970) 3.093 2.941 ( -1.788 -3.629 2.686) 4.856 2.983 ( -0.766 -2.360 0.813) 2.610 3.048 ( -1.299 -5.156 3.925) 6.609 3.133 ( -3.611 0.171 -1.767) 4.024 3.172 ( 0.582 -5.198 -5.240) 7.404 3.227 ( -1.590 0.008 -9.245) 9.380 3.509 ( -1.464 -0.624 3.525) 3.868 3.550 ( -0.667 -1.710 3.474) 3.929 3.646 ( -1.781 -2.306 -7.268) 7.831 3.658 ( -1.143 -5.439 -7.644) 9.451 3.825 ( -0.873 -0.023 2.503) 2.651 3.887 ( 1.412 2.078 -3.648) 4.429 4.268 ( 1.743 3.096 8.839) 9.527 4.331 ( 3.249 5.611 2.644) 7.003 4.473 ( 1.438 1.750 5.866) 6.288 4.495 ( 1.691 2.772 3.889) 5.066 4.538 ( 1.169 1.258 -0.474) 1.782 4.568 ( -1.057 0.611 -0.092) 1.224 4.609 ( 2.090 3.090 -0.212) 3.736 4.661 ( 0.846 -0.133 -1.213) 1.485 4.710 ( 0.362 3.079 -1.118) 3.295 4.748 ( 1.215 3.518 -5.625) 6.745 4.801 ( 3.326 3.637 0.104) 4.929 4.870 ( 3.613 5.437 -5.973) 8.848 5.450 ( -3.336 -5.014 1.953) 6.332 5.470 ( -1.660 -3.256 -0.123) 3.657 5.834 ( -2.127 -3.539 2.152) 4.656 5.884 ( -2.406 -2.757 -2.408) 4.381 5.942 ( -1.781 -2.370 0.535) 3.013 5.950 ( -0.270 -2.963 -0.292) 2.989 6.092 ( 1.450 2.739 1.225) 3.332 6.139 ( 1.209 2.073 -3.172) 3.978 7.590 ( -2.773 -5.048 17.471) 18.396 7.658 ( -3.022 -4.479 12.386) 13.513 7.733 ( -0.817 -2.032 20.462) 20.579 8.060 ( -0.428 -0.048 -10.417) 10.426 8.146 ( 1.048 0.695 -8.674) 8.765 8.186 ( -0.157 0.266 -12.012) 12.016 9.386 ( 4.575 1.357 23.048) 23.537 9.404 ( -1.896 4.501 30.992) 31.374 9.531 ( 4.116 5.642 17.951) 19.261 9.734 ( 4.205 7.591 -8.406) 12.082 10.034 ( 0.642 1.154 -26.405) 26.438 10.131 ( 2.519 4.274 -27.171) 27.620 11.227 ( -1.357 -2.349 9.943) 10.306 11.288 ( 0.754 -0.778 9.907) 9.966 11.350 ( -1.785 -0.161 3.443) 3.882 11.454 ( 1.785 2.450 0.370) 3.054 11.591 ( -2.910 -4.814 1.858) 5.924 11.801 ( -1.806 -4.014 16.380) 16.962 11.975 ( -5.505 -8.654 -23.515) 25.655 12.306 ( -0.088 -1.246 -28.289) 28.316 12.531 ( 4.731 8.816 25.168) 27.084 12.987 ( -2.130 -3.775 20.084) 20.546 13.045 ( 4.234 7.755 -22.526) 24.197 13.444 ( -1.545 -3.044 -22.225) 22.485 14.174 ( 2.075 3.076 21.353) 21.673 14.209 ( 2.705 5.384 19.042) 19.973 14.560 ( -0.594 -1.214 -14.871) 14.933 14.629 ( 1.554 2.790 -22.178) 22.407 16.106 ( -1.176 -2.074 13.746) 13.951 16.170 ( 0.164 0.345 22.272) 22.276 16.430 ( -4.408 -7.720 -17.144) 19.312 16.627 ( 0.701 1.272 -22.428) 22.475 17.936 ( -1.002 -1.773 10.706) 10.898 18.043 ( -3.184 -5.481 0.256) 6.344 20.770 ( 0.356 0.614 -0.514) 0.876 20.806 ( -0.098 -0.167 -3.992) 3.997 ======================= Grid point 181 (38/40) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -0.201 2.582 7.488) 7.923 1.861 ( -0.077 3.266 -0.298) 3.280 1.955 ( 3.612 0.277 -2.128) 4.201 1.989 ( 0.543 -0.155 -4.616) 4.650 2.562 ( 0.781 0.976 9.271) 9.355 2.631 ( -1.380 -2.084 6.229) 6.712 2.723 ( -0.983 2.544 5.853) 6.457 2.740 ( 0.459 -0.431 4.973) 5.013 2.800 ( 2.279 -1.658 1.002) 2.991 2.852 ( -2.964 -3.219 -0.393) 4.394 2.932 ( -2.033 1.116 2.000) 3.062 2.951 ( 1.415 2.522 3.264) 4.361 3.016 ( 0.728 -3.066 0.106) 3.153 3.049 ( -4.807 0.248 -0.833) 4.885 3.148 ( 1.789 -4.811 -7.991) 9.497 3.232 ( 0.865 1.852 -12.134) 12.304 3.476 ( -1.033 -0.636 -0.592) 1.350 3.510 ( -0.858 -0.442 -1.128) 1.484 3.567 ( -1.247 -4.791 -4.669) 6.805 3.613 ( 0.317 -3.092 -6.181) 6.919 3.831 ( 0.268 1.143 4.786) 4.927 3.930 ( -0.288 3.178 -4.396) 5.432 4.328 ( 1.416 1.842 9.524) 9.803 4.388 ( 0.858 -0.693 3.934) 4.086 4.515 ( 1.109 1.478 2.877) 3.419 4.545 ( -1.620 0.608 3.811) 4.185 4.565 ( 0.794 0.883 -1.372) 1.814 4.586 ( 2.450 2.989 1.515) 4.151 4.613 ( -0.463 -1.204 1.985) 2.367 4.669 ( -0.033 -0.105 -1.392) 1.396 4.796 ( 1.531 3.892 -2.557) 4.902 4.804 ( 1.210 2.480 -3.627) 4.558 4.890 ( 0.975 4.664 3.048) 5.656 4.981 ( 1.841 2.359 -3.911) 4.925 5.359 ( -1.194 -2.476 3.213) 4.228 5.425 ( -0.755 -0.610 -2.941) 3.097 5.759 ( -2.061 -1.826 1.601) 3.185 5.807 ( -2.782 -1.011 -2.909) 4.150 5.888 ( 0.140 -3.571 1.154) 3.755 5.918 ( 1.410 -4.692 -1.707) 5.188 6.136 ( 0.100 2.471 0.276) 2.489 6.167 ( -0.072 1.079 -2.685) 2.895 7.525 ( -0.606 -1.318 16.665) 16.728 7.562 ( -2.974 -1.295 14.153) 14.520 7.712 ( 1.318 -3.364 20.118) 20.440 8.049 ( -0.776 0.736 -12.172) 12.218 8.160 ( -0.155 0.110 -9.720) 9.721 8.184 ( 0.623 -0.888 -11.111) 11.163 9.392 ( -4.061 6.256 27.050) 28.059 9.525 ( 6.882 0.527 26.184) 27.079 9.615 ( 0.851 -0.446 22.066) 22.086 9.850 ( -0.419 6.728 -14.852) 16.310 10.073 ( 3.608 -1.721 -22.804) 23.152 10.188 ( 0.484 0.761 -27.881) 27.896 11.199 ( -0.310 0.181 11.471) 11.477 11.255 ( -4.184 1.653 13.071) 13.823 11.354 ( 3.590 -1.679 10.036) 10.790 11.455 ( -1.407 -2.277 1.844) 3.250 11.573 ( 0.174 3.631 -15.799) 16.212 11.740 ( 0.070 -3.077 18.711) 18.962 11.814 ( -3.165 -5.673 -19.378) 20.438 12.289 ( 0.264 -1.857 -29.147) 29.207 12.679 ( 2.448 5.646 25.062) 25.806 12.897 ( -1.715 -4.108 24.288) 24.692 13.181 ( 1.025 6.748 -23.519) 24.489 13.395 ( -0.429 -2.722 -24.616) 24.770 14.230 ( 0.628 1.907 20.596) 20.694 14.321 ( 2.940 4.648 13.134) 14.239 14.515 ( -1.147 -3.491 -4.377) 5.715 14.679 ( 0.666 2.022 -22.136) 22.238 16.082 ( 0.003 -0.079 5.270) 5.270 16.177 ( -0.097 0.678 22.687) 22.697 16.274 ( -2.016 -7.831 -12.327) 14.742 16.650 ( -0.378 2.093 -23.440) 23.537 17.913 ( 0.177 -0.516 7.515) 7.535 17.946 ( -2.220 -2.722 4.491) 5.701 20.783 ( 0.272 0.531 -1.474) 1.590 20.802 ( -0.140 -0.274 -3.266) 3.280 ======================= Grid point 182 (39/40) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -2.145 1.411 7.617) 8.038 1.884 ( -1.299 3.219 -1.273) 3.697 1.932 ( -3.512 -4.465 -1.150) 5.796 1.987 ( -0.307 -0.444 -4.515) 4.547 2.579 ( -1.422 -1.515 8.567) 8.816 2.612 ( 2.315 1.699 6.579) 7.179 2.730 ( -1.337 2.093 5.465) 6.003 2.752 ( 1.275 -1.213 7.991) 8.182 2.784 ( -0.688 -2.128 -1.063) 2.476 2.850 ( 4.023 0.775 1.069) 4.234 2.941 ( -0.228 3.224 -2.482) 4.075 2.967 ( -1.840 -0.584 3.179) 3.719 2.984 ( 0.336 -1.862 2.864) 3.433 3.056 ( 3.723 3.941 -2.634) 6.027 3.140 ( 2.045 -3.848 -6.225) 7.598 3.245 ( -0.786 -0.424 -11.905) 11.938 3.497 ( 1.897 2.211 -0.745) 3.007 3.516 ( 0.376 -3.094 -0.299) 3.131 3.538 ( 4.237 0.958 -5.350) 6.891 3.607 ( 2.036 -1.820 -6.101) 6.684 3.837 ( -0.514 0.058 4.280) 4.311 3.930 ( -2.697 1.888 -4.278) 5.398 4.328 ( -2.264 -0.293 9.580) 9.848 4.390 ( 0.272 -1.190 3.240) 3.462 4.506 ( -2.028 0.543 4.938) 5.366 4.547 ( -0.791 0.801 2.068) 2.354 4.567 ( -2.404 -0.549 -0.702) 2.564 4.577 ( -0.536 0.381 0.254) 0.705 4.624 ( 0.388 -0.591 3.118) 3.197 4.671 ( 0.088 -0.117 -0.916) 0.927 4.803 ( -3.635 0.447 -3.715) 5.217 4.816 ( -1.922 -0.400 -3.860) 4.331 4.879 ( -5.546 2.161 2.964) 6.649 4.967 ( -3.531 -0.134 -2.943) 4.599 5.365 ( 3.078 -0.405 2.850) 4.214 5.426 ( 0.823 0.363 -2.730) 2.875 5.762 ( 2.717 0.861 1.642) 3.289 5.811 ( 2.606 1.955 -2.998) 4.428 5.889 ( 3.030 -1.604 0.815) 3.524 5.911 ( 2.844 -3.871 -1.280) 4.971 6.137 ( -2.134 1.119 0.196) 2.417 6.166 ( -0.910 0.611 -2.663) 2.880 7.524 ( 1.378 -0.045 16.468) 16.526 7.564 ( 2.763 1.845 14.359) 14.739 7.710 ( 2.131 -2.816 20.042) 20.351 8.052 ( -0.019 0.986 -12.181) 12.221 8.154 ( -0.390 0.132 -9.662) 9.671 8.187 ( 0.639 -0.889 -11.097) 11.151 9.388 ( -3.610 6.233 27.274) 28.209 9.543 ( -3.605 -6.471 26.517) 27.532 9.600 ( -0.280 0.341 21.202) 21.206 9.853 ( -5.424 3.617 -14.665) 16.049 10.074 ( -0.288 -4.037 -22.557) 22.917 10.187 ( -0.954 0.012 -27.981) 27.997 11.197 ( -0.082 0.437 11.664) 11.672 11.247 ( 0.175 3.834 12.010) 12.608 11.375 ( 0.472 -4.097 12.826) 13.473 11.446 ( 2.642 0.646 -0.473) 2.761 11.571 ( -3.222 1.762 -14.556) 15.012 11.740 ( 2.072 -1.604 17.609) 17.803 11.814 ( 6.937 -0.093 -19.243) 20.455 12.285 ( 1.154 -1.053 -28.697) 28.740 12.682 ( -5.935 0.621 24.785) 25.493 12.896 ( 4.396 -0.542 24.235) 24.636 13.186 ( -6.176 2.407 -23.924) 24.825 13.390 ( 2.410 -0.918 -24.167) 24.304 14.227 ( -2.178 0.457 20.602) 20.722 14.326 ( -5.245 -0.346 13.147) 14.159 14.512 ( 3.554 -0.668 -4.497) 5.771 14.680 ( -2.029 0.405 -22.117) 22.213 16.081 ( 0.056 -0.033 5.347) 5.348 16.177 ( -0.547 0.418 22.832) 22.843 16.273 ( 7.785 -2.164 -12.508) 14.891 16.650 ( -1.602 1.365 -23.486) 23.580 17.912 ( 0.385 -0.351 7.647) 7.665 17.947 ( 3.438 0.503 4.373) 5.585 20.783 ( -0.596 0.031 -1.471) 1.588 20.802 ( 0.308 -0.016 -3.268) 3.283 ======================= Grid point 187 (40/40) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -0.000 -0.000 7.124) 7.124 1.946 ( -0.841 -1.683 -0.059) 1.882 1.946 ( 0.842 1.683 -0.059) 1.882 1.947 ( -0.000 0.000 -7.270) 7.270 2.595 ( -0.589 -1.178 8.036) 8.143 2.595 ( 0.589 1.178 8.036) 8.143 2.714 ( -0.000 -0.000 7.164) 7.164 2.775 ( -0.813 -1.626 4.408) 4.768 2.775 ( 0.813 1.626 4.408) 4.768 2.811 ( -0.000 -0.000 -2.027) 2.027 2.962 ( -0.482 -0.964 1.112) 1.548 2.962 ( 0.482 0.963 1.112) 1.548 3.014 ( -0.000 -0.000 7.329) 7.329 3.058 ( -0.781 -1.563 -6.404) 6.638 3.058 ( 0.781 1.563 -6.404) 6.638 3.252 ( -0.000 -0.000 -13.557) 13.557 3.485 ( -0.505 -1.011 -1.594) 1.954 3.485 ( 0.505 1.011 -1.594) 1.954 3.544 ( -1.166 -2.332 -6.526) 7.028 3.544 ( 1.166 2.332 -6.526) 7.028 3.847 ( 0.000 -0.000 6.330) 6.330 3.968 ( -0.000 -0.000 -4.953) 4.953 4.361 ( -0.691 -1.381 6.917) 7.087 4.361 ( 0.691 1.381 6.917) 7.087 4.535 ( -0.000 -0.000 2.811) 2.811 4.566 ( -0.642 -1.283 1.298) 1.935 4.566 ( 0.642 1.283 1.298) 1.935 4.583 ( 0.000 -0.000 -1.088) 1.088 4.651 ( -0.865 -1.730 2.824) 3.423 4.651 ( 0.865 1.730 2.824) 3.423 4.832 ( -0.145 -0.291 -3.078) 3.095 4.832 ( 0.145 0.291 -3.078) 3.095 4.985 ( -1.165 -2.331 -0.589) 2.672 4.985 ( 1.165 2.331 -0.589) 2.672 5.332 ( -0.000 -0.000 4.190) 4.190 5.421 ( -0.000 -0.000 -4.068) 4.068 5.737 ( -0.000 -0.000 1.982) 1.982 5.803 ( 0.000 -0.000 -4.360) 4.360 5.846 ( -0.185 -0.371 -0.385) 0.566 5.846 ( 0.185 0.371 -0.385) 0.566 6.171 ( -0.339 -0.678 -1.156) 1.383 6.171 ( 0.339 0.678 -1.156) 1.383 7.530 ( -0.654 -1.309 14.080) 14.156 7.530 ( 0.654 1.309 14.080) 14.156 7.671 ( -0.000 -0.000 23.833) 23.833 8.058 ( -0.000 -0.000 -13.220) 13.220 8.166 ( -0.327 -0.654 -10.633) 10.658 8.166 ( 0.327 0.654 -10.633) 10.658 9.521 ( -0.000 -0.000 32.640) 32.640 9.542 ( -1.688 -3.376 22.266) 22.584 9.542 ( 1.688 3.376 22.266) 22.584 9.993 ( -2.711 -5.422 -18.688) 19.646 9.993 ( 2.711 5.422 -18.688) 19.646 10.187 ( -0.000 -0.000 -29.838) 29.838 11.214 ( -0.000 -0.000 10.725) 10.725 11.303 ( -1.475 -2.950 17.148) 17.462 11.303 ( 1.475 2.950 17.148) 17.462 11.421 ( -0.000 -0.000 -8.669) 8.669 11.679 ( -2.753 -5.506 -19.503) 20.451 11.679 ( 2.753 5.506 -19.503) 20.451 11.713 ( -0.000 -0.000 22.586) 22.586 12.265 ( -0.000 -0.000 -29.173) 29.173 12.797 ( -2.428 -4.856 25.382) 25.956 12.797 ( 2.428 4.856 25.382) 25.956 13.313 ( -2.340 -4.680 -24.960) 25.503 13.313 ( 2.340 4.680 -24.960) 25.503 14.253 ( -0.000 -0.000 21.339) 21.339 14.424 ( -2.209 -4.418 5.439) 7.348 14.424 ( 2.209 4.418 5.439) 7.348 14.703 ( -0.000 -0.000 -22.450) 22.450 16.129 ( -2.247 -4.494 -4.500) 6.745 16.129 ( 2.247 4.494 -4.500) 6.745 16.186 ( -0.000 -0.000 23.609) 23.609 16.676 ( -0.000 -0.000 -24.624) 24.624 17.912 ( -0.263 -0.527 6.258) 6.286 17.912 ( 0.263 0.527 6.258) 6.286 20.794 ( -0.214 -0.428 -2.411) 2.459 20.794 ( 0.214 0.428 -2.411) 2.459 =================== 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 3/25272 10.0 777.244 777.244 626.383 0.000 0.000 -0.000 3/25272 20.0 85.869 85.869 148.153 0.000 0.000 -0.000 3/25272 30.0 27.160 27.160 54.354 0.000 -0.000 -0.000 3/25272 40.0 13.427 13.427 28.228 0.000 -0.000 -0.000 3/25272 50.0 8.363 8.363 18.079 0.000 -0.000 -0.000 3/25272 60.0 5.943 5.943 13.113 0.000 -0.000 -0.000 3/25272 70.0 4.580 4.580 10.286 0.000 -0.000 -0.000 3/25272 80.0 3.722 3.722 8.499 0.000 -0.000 -0.000 3/25272 90.0 3.138 3.138 7.283 0.000 -0.000 -0.000 3/25272 100.0 2.717 2.717 6.407 0.000 -0.000 -0.000 3/25272 110.0 2.399 2.399 5.747 0.000 -0.000 -0.000 3/25272 120.0 2.151 2.151 5.233 0.000 -0.000 -0.000 3/25272 130.0 1.953 1.953 4.820 0.000 -0.000 -0.000 3/25272 140.0 1.790 1.790 4.480 0.000 -0.000 -0.000 3/25272 150.0 1.654 1.654 4.194 0.000 -0.000 -0.000 3/25272 160.0 1.539 1.539 3.949 0.000 -0.000 -0.000 3/25272 170.0 1.439 1.439 3.736 0.000 -0.000 -0.000 3/25272 180.0 1.353 1.353 3.549 0.000 -0.000 -0.000 3/25272 190.0 1.277 1.277 3.382 0.000 -0.000 -0.000 3/25272 200.0 1.210 1.210 3.232 0.000 -0.000 -0.000 3/25272 210.0 1.149 1.149 3.096 0.000 -0.000 -0.000 3/25272 220.0 1.095 1.095 2.972 0.000 -0.000 -0.000 3/25272 230.0 1.046 1.046 2.859 0.000 -0.000 -0.000 3/25272 240.0 1.001 1.001 2.754 0.000 -0.000 -0.000 3/25272 250.0 0.961 0.961 2.657 0.000 -0.000 -0.000 3/25272 260.0 0.923 0.923 2.567 0.000 -0.000 -0.000 3/25272 270.0 0.889 0.889 2.483 0.000 -0.000 -0.000 3/25272 280.0 0.857 0.857 2.405 0.000 -0.000 -0.000 3/25272 290.0 0.827 0.827 2.331 0.000 -0.000 -0.000 3/25272 300.0 0.799 0.799 2.261 0.000 -0.000 -0.000 3/25272 310.0 0.773 0.773 2.196 0.000 -0.000 -0.000 3/25272 320.0 0.749 0.749 2.135 0.000 -0.000 -0.000 3/25272 330.0 0.726 0.726 2.076 0.000 -0.000 -0.000 3/25272 340.0 0.705 0.705 2.021 0.000 -0.000 -0.000 3/25272 350.0 0.685 0.685 1.969 0.000 -0.000 -0.000 3/25272 360.0 0.666 0.666 1.919 0.000 -0.000 -0.000 3/25272 370.0 0.648 0.648 1.871 0.000 -0.000 -0.000 3/25272 380.0 0.631 0.631 1.826 0.000 -0.000 -0.000 3/25272 390.0 0.615 0.615 1.783 0.000 -0.000 -0.000 3/25272 400.0 0.600 0.600 1.742 0.000 -0.000 -0.000 3/25272 410.0 0.585 0.585 1.703 0.000 -0.000 -0.000 3/25272 420.0 0.571 0.571 1.665 0.000 -0.000 -0.000 3/25272 430.0 0.558 0.558 1.629 0.000 -0.000 -0.000 3/25272 440.0 0.545 0.545 1.595 0.000 -0.000 -0.000 3/25272 450.0 0.533 0.533 1.562 0.000 -0.000 -0.000 3/25272 460.0 0.522 0.522 1.530 0.000 -0.000 -0.000 3/25272 470.0 0.511 0.511 1.500 0.000 -0.000 -0.000 3/25272 480.0 0.500 0.500 1.470 0.000 -0.000 -0.000 3/25272 490.0 0.490 0.490 1.442 0.000 -0.000 -0.000 3/25272 500.0 0.480 0.480 1.415 0.000 -0.000 -0.000 3/25272 510.0 0.471 0.471 1.389 0.000 -0.000 -0.000 3/25272 520.0 0.462 0.462 1.363 0.000 -0.000 -0.000 3/25272 530.0 0.453 0.453 1.339 0.000 -0.000 -0.000 3/25272 540.0 0.445 0.445 1.315 0.000 -0.000 -0.000 3/25272 550.0 0.437 0.437 1.293 0.000 -0.000 -0.000 3/25272 560.0 0.429 0.429 1.271 0.000 -0.000 -0.000 3/25272 570.0 0.422 0.422 1.249 0.000 -0.000 -0.000 3/25272 580.0 0.415 0.415 1.229 0.000 -0.000 -0.000 3/25272 590.0 0.408 0.408 1.209 0.000 -0.000 -0.000 3/25272 600.0 0.401 0.401 1.190 0.000 -0.000 -0.000 3/25272 610.0 0.394 0.394 1.171 0.000 -0.000 -0.000 3/25272 620.0 0.388 0.388 1.153 0.000 -0.000 -0.000 3/25272 630.0 0.382 0.382 1.135 0.000 -0.000 -0.000 3/25272 640.0 0.376 0.376 1.118 0.000 -0.000 -0.000 3/25272 650.0 0.370 0.370 1.102 0.000 -0.000 -0.000 3/25272 660.0 0.365 0.365 1.085 0.000 -0.000 -0.000 3/25272 670.0 0.359 0.359 1.070 0.000 -0.000 -0.000 3/25272 680.0 0.354 0.354 1.055 0.000 -0.000 -0.000 3/25272 690.0 0.349 0.349 1.040 0.000 -0.000 -0.000 3/25272 700.0 0.344 0.344 1.025 0.000 -0.000 -0.000 3/25272 710.0 0.339 0.339 1.012 0.000 -0.000 -0.000 3/25272 720.0 0.334 0.334 0.998 0.000 -0.000 -0.000 3/25272 730.0 0.330 0.330 0.985 0.000 -0.000 -0.000 3/25272 740.0 0.325 0.325 0.972 0.000 -0.000 -0.000 3/25272 750.0 0.321 0.321 0.959 0.000 -0.000 -0.000 3/25272 760.0 0.317 0.317 0.947 0.000 -0.000 -0.000 3/25272 770.0 0.313 0.313 0.935 0.000 -0.000 -0.000 3/25272 780.0 0.309 0.309 0.923 0.000 -0.000 -0.000 3/25272 790.0 0.305 0.305 0.912 0.000 -0.000 -0.000 3/25272 800.0 0.301 0.301 0.901 0.000 -0.000 -0.000 3/25272 810.0 0.297 0.297 0.890 0.000 -0.000 -0.000 3/25272 820.0 0.294 0.294 0.879 0.000 -0.000 -0.000 3/25272 830.0 0.290 0.290 0.869 0.000 -0.000 -0.000 3/25272 840.0 0.287 0.287 0.859 0.000 -0.000 -0.000 3/25272 850.0 0.283 0.283 0.849 0.000 -0.000 -0.000 3/25272 860.0 0.280 0.280 0.839 0.000 -0.000 -0.000 3/25272 870.0 0.277 0.277 0.830 0.000 -0.000 -0.000 3/25272 880.0 0.274 0.274 0.821 0.000 -0.000 -0.000 3/25272 890.0 0.271 0.271 0.812 0.000 -0.000 -0.000 3/25272 900.0 0.268 0.268 0.803 0.000 -0.000 -0.000 3/25272 910.0 0.265 0.265 0.794 0.000 -0.000 -0.000 3/25272 920.0 0.262 0.262 0.786 0.000 -0.000 -0.000 3/25272 930.0 0.259 0.259 0.778 0.000 -0.000 -0.000 3/25272 940.0 0.256 0.256 0.769 0.000 -0.000 -0.000 3/25272 950.0 0.254 0.254 0.761 0.000 -0.000 -0.000 3/25272 960.0 0.251 0.251 0.754 0.000 -0.000 -0.000 3/25272 970.0 0.249 0.249 0.746 0.000 -0.000 -0.000 3/25272 980.0 0.246 0.246 0.739 0.000 -0.000 -0.000 3/25272 990.0 0.244 0.244 0.731 0.000 -0.000 -0.000 3/25272 1000.0 0.241 0.241 0.724 0.000 -0.000 -0.000 3/25272 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:18:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|