----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:19:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.352037180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.288260879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.383152600000000 Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 4 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 *5 Se 0.52410262680160 0.75000000000000 0.01567439341695 78.960 6 Se 0.02410262680160 0.75000000000000 0.48432560658305 78.960 7 Se 0.97589737319840 0.25000000000000 0.51567439341695 78.960 8 Se 0.47589737319840 0.25000000000000 0.98432560658305 78.960 *9 O 0.91763740257716 0.25000000000000 0.20248862766819 15.999 *10 O 0.67154997824457 0.59071555968227 0.13130115208218 15.999 11 O 0.67154997824457 0.90928444031773 0.13130115208218 15.999 12 O 0.17154997824457 0.59071555968227 0.36869884791782 15.999 13 O 0.17154997824457 0.90928444031773 0.36869884791782 15.999 14 O 0.41763740257716 0.25000000000000 0.29751137233181 15.999 15 O 0.58236259742284 0.75000000000000 0.70248862766819 15.999 16 O 0.82845002175543 0.09071555968227 0.63130115208218 15.999 17 O 0.82845002175543 0.40928444031773 0.63130115208218 15.999 18 O 0.32845002175543 0.09071555968227 0.86869884791782 15.999 19 O 0.32845002175543 0.40928444031773 0.86869884791782 15.999 20 O 0.08236259742284 0.75000000000000 0.79751137233181 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.352037180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.288260879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.383152600000000 Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 2 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 3 4 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 4 *5 Se 0.52410262680160 0.75000000000000 0.01567439341695 78.960 > 5 6 Se 0.02410262680160 0.75000000000000 0.48432560658305 78.960 > 6 7 Se 0.97589737319840 0.25000000000000 0.51567439341695 78.960 > 7 8 Se 0.47589737319840 0.25000000000000 0.98432560658305 78.960 > 8 *9 O 0.91763740257716 0.25000000000000 0.20248862766819 15.999 > 9 *10 O 0.67154997824457 0.59071555968227 0.13130115208218 15.999 > 10 11 O 0.67154997824457 0.90928444031773 0.13130115208218 15.999 > 11 12 O 0.17154997824457 0.59071555968227 0.36869884791782 15.999 > 12 13 O 0.17154997824457 0.90928444031773 0.36869884791782 15.999 > 13 14 O 0.41763740257716 0.25000000000000 0.29751137233181 15.999 > 14 15 O 0.58236259742284 0.75000000000000 0.70248862766819 15.999 > 15 16 O 0.82845002175543 0.09071555968227 0.63130115208218 15.999 > 16 17 O 0.82845002175543 0.40928444031773 0.63130115208218 15.999 > 17 18 O 0.32845002175543 0.09071555968227 0.86869884791782 15.999 > 18 19 O 0.32845002175543 0.40928444031773 0.86869884791782 15.999 > 19 20 O 0.08236259742284 0.75000000000000 0.79751137233181 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.704074360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.288260879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.766305200000000 Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 3 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 1 4 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 5 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 2 6 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 2 7 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 2 8 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 2 9 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 3 10 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 3 11 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 3 12 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 3 13 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 4 14 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 4 15 Ca 0.25000000000000 0.50000000000000 0.75000000000000 40.078 > 4 16 Ca 0.75000000000000 0.50000000000000 0.75000000000000 40.078 > 4 *17 Se 0.26205131340080 0.75000000000000 0.00783719670848 78.960 > 5 18 Se 0.76205131340080 0.75000000000000 0.00783719670848 78.960 > 5 19 Se 0.26205131340080 0.75000000000000 0.50783719670848 78.960 > 5 20 Se 0.76205131340080 0.75000000000000 0.50783719670848 78.960 > 5 21 Se 0.01205131340080 0.75000000000000 0.24216280329152 78.960 > 6 22 Se 0.51205131340080 0.75000000000000 0.24216280329152 78.960 > 6 23 Se 0.01205131340080 0.75000000000000 0.74216280329152 78.960 > 6 24 Se 0.51205131340080 0.75000000000000 0.74216280329152 78.960 > 6 25 Se 0.48794868659920 0.25000000000000 0.25783719670848 78.960 > 7 26 Se 0.98794868659920 0.25000000000000 0.25783719670848 78.960 > 7 27 Se 0.48794868659920 0.25000000000000 0.75783719670848 78.960 > 7 28 Se 0.98794868659920 0.25000000000000 0.75783719670848 78.960 > 7 29 Se 0.23794868659920 0.25000000000000 0.49216280329152 78.960 > 8 30 Se 0.73794868659920 0.25000000000000 0.49216280329152 78.960 > 8 31 Se 0.23794868659920 0.25000000000000 0.99216280329152 78.960 > 8 32 Se 0.73794868659920 0.25000000000000 0.99216280329152 78.960 > 8 *33 O 0.45881870128858 0.25000000000000 0.10124431383410 15.999 > 9 34 O 0.95881870128858 0.25000000000000 0.10124431383410 15.999 > 9 35 O 0.45881870128858 0.25000000000000 0.60124431383410 15.999 > 9 36 O 0.95881870128858 0.25000000000000 0.60124431383410 15.999 > 9 *37 O 0.33577498912229 0.59071555968227 0.06565057604109 15.999 > 10 38 O 0.83577498912229 0.59071555968227 0.06565057604109 15.999 > 10 39 O 0.33577498912229 0.59071555968227 0.56565057604109 15.999 > 10 40 O 0.83577498912229 0.59071555968227 0.56565057604109 15.999 > 10 41 O 0.33577498912229 0.90928444031773 0.06565057604109 15.999 > 11 42 O 0.83577498912229 0.90928444031773 0.06565057604109 15.999 > 11 43 O 0.33577498912229 0.90928444031773 0.56565057604109 15.999 > 11 44 O 0.83577498912229 0.90928444031773 0.56565057604109 15.999 > 11 45 O 0.08577498912229 0.59071555968227 0.18434942395891 15.999 > 12 46 O 0.58577498912229 0.59071555968227 0.18434942395891 15.999 > 12 47 O 0.08577498912229 0.59071555968227 0.68434942395891 15.999 > 12 48 O 0.58577498912229 0.59071555968227 0.68434942395891 15.999 > 12 49 O 0.08577498912229 0.90928444031773 0.18434942395891 15.999 > 13 50 O 0.58577498912229 0.90928444031773 0.18434942395891 15.999 > 13 51 O 0.08577498912229 0.90928444031773 0.68434942395891 15.999 > 13 52 O 0.58577498912229 0.90928444031773 0.68434942395891 15.999 > 13 53 O 0.20881870128858 0.25000000000000 0.14875568616590 15.999 > 14 54 O 0.70881870128858 0.25000000000000 0.14875568616590 15.999 > 14 55 O 0.20881870128858 0.25000000000000 0.64875568616590 15.999 > 14 56 O 0.70881870128858 0.25000000000000 0.64875568616590 15.999 > 14 57 O 0.29118129871142 0.75000000000000 0.35124431383410 15.999 > 15 58 O 0.79118129871142 0.75000000000000 0.35124431383410 15.999 > 15 59 O 0.29118129871142 0.75000000000000 0.85124431383410 15.999 > 15 60 O 0.79118129871142 0.75000000000000 0.85124431383410 15.999 > 15 61 O 0.41422501087771 0.09071555968227 0.31565057604109 15.999 > 16 62 O 0.91422501087771 0.09071555968227 0.31565057604109 15.999 > 16 63 O 0.41422501087771 0.09071555968227 0.81565057604109 15.999 > 16 64 O 0.91422501087771 0.09071555968227 0.81565057604109 15.999 > 16 65 O 0.41422501087771 0.40928444031773 0.31565057604109 15.999 > 17 66 O 0.91422501087771 0.40928444031773 0.31565057604109 15.999 > 17 67 O 0.41422501087771 0.40928444031773 0.81565057604109 15.999 > 17 68 O 0.91422501087771 0.40928444031773 0.81565057604109 15.999 > 17 69 O 0.16422501087771 0.09071555968227 0.43434942395891 15.999 > 18 70 O 0.66422501087771 0.09071555968227 0.43434942395891 15.999 > 18 71 O 0.16422501087771 0.09071555968227 0.93434942395891 15.999 > 18 72 O 0.66422501087771 0.09071555968227 0.93434942395891 15.999 > 18 73 O 0.16422501087771 0.40928444031773 0.43434942395891 15.999 > 19 74 O 0.66422501087771 0.40928444031773 0.43434942395891 15.999 > 19 75 O 0.16422501087771 0.40928444031773 0.93434942395891 15.999 > 19 76 O 0.66422501087771 0.40928444031773 0.93434942395891 15.999 > 19 77 O 0.04118129871142 0.75000000000000 0.39875568616590 15.999 > 20 78 O 0.54118129871142 0.75000000000000 0.39875568616590 15.999 > 20 79 O 0.04118129871142 0.75000000000000 0.89875568616590 15.999 > 20 80 O 0.54118129871142 0.75000000000000 0.89875568616590 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2565010 0.0000000 0.0000000 0.0000000 3.7154655 0.0000000 0.0000000 0.0000000 3.6970119 -------------------------- Born effective charges -------------------------- 1 Ca 2.5246249 -0.0786191 -0.1183064 0.1668329 2.5083853 -0.3565586 0.1101377 0.3223733 2.6571661 2 Ca 2.5246249 0.0786191 -0.1183064 -0.1668329 2.5083853 0.3565586 0.1101377 -0.3223733 2.6571661 3 Ca 2.5246249 -0.0786191 0.1183064 0.1668329 2.5083853 0.3565586 -0.1101377 -0.3223733 2.6571661 4 Ca 2.5246249 0.0786191 0.1183064 -0.1668329 2.5083853 -0.3565586 -0.1101377 0.3223733 2.6571661 5 Se 1.9581552 0.0000000 0.3873074 0.0000000 3.2823581 0.0000000 0.4229055 0.0000000 3.0557476 6 Se 1.9581552 0.0000000 -0.3873074 0.0000000 3.2823581 0.0000000 -0.4229055 0.0000000 3.0557476 7 Se 1.9581552 0.0000000 -0.3873074 0.0000000 3.2823581 0.0000000 -0.4229055 0.0000000 3.0557476 8 Se 1.9581552 0.0000000 0.3873074 0.0000000 3.2823581 0.0000000 0.4229055 0.0000000 3.0557476 9 O -1.0948216 0.0000000 0.0664881 0.0000000 -1.4305730 0.0000000 -0.3684857 0.0000000 -2.7615525 10 O -1.6939793 0.2829223 -0.0466519 0.8656790 -2.1800852 0.4215061 -0.3505853 0.5585714 -1.4756806 11 O -1.6939793 -0.2829223 -0.0466519 -0.8656790 -2.1800852 -0.4215061 -0.3505853 -0.5585714 -1.4756806 12 O -1.6939793 0.2829223 0.0466519 0.8656790 -2.1800852 -0.4215061 0.3505853 -0.5585714 -1.4756806 13 O -1.6939793 -0.2829223 0.0466519 -0.8656790 -2.1800852 0.4215061 0.3505853 0.5585714 -1.4756806 14 O -1.0948216 0.0000000 -0.0664881 0.0000000 -1.4305730 0.0000000 0.3684857 0.0000000 -2.7615525 15 O -1.0948216 0.0000000 -0.0664881 0.0000000 -1.4305730 0.0000000 0.3684857 0.0000000 -2.7615525 16 O -1.6939793 -0.2829223 0.0466519 -0.8656790 -2.1800852 0.4215061 0.3505853 0.5585714 -1.4756806 17 O -1.6939793 0.2829223 0.0466519 0.8656790 -2.1800852 -0.4215061 0.3505853 -0.5585714 -1.4756806 18 O -1.6939793 -0.2829223 -0.0466519 -0.8656790 -2.1800852 -0.4215061 -0.3505853 -0.5585714 -1.4756806 19 O -1.6939793 0.2829223 -0.0466519 0.8656790 -2.1800852 0.4215061 -0.3505853 0.5585714 -1.4756806 20 O -1.0948216 0.0000000 0.0664881 0.0000000 -1.4305730 0.0000000 -0.3684857 0.0000000 -2.7615525 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.732 Solver_block: 200 / 320 - Time: 0.745 Solver_block: 300 / 320 - Time: 0.747 Solver_block: 320 / 320 - Time: 0.192 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.431 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 23:19:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.352037180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.288260879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.383152600000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 4 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 5 Se 0.52410262680160 0.75000000000000 0.01567439341695 78.960 6 Se 0.02410262680160 0.75000000000000 0.48432560658305 78.960 7 Se 0.97589737319840 0.25000000000000 0.51567439341695 78.960 8 Se 0.47589737319840 0.25000000000000 0.98432560658305 78.960 9 O 0.91763740257716 0.25000000000000 0.20248862766819 15.999 10 O 0.67154997824457 0.59071555968227 0.13130115208218 15.999 11 O 0.67154997824457 0.90928444031773 0.13130115208218 15.999 12 O 0.17154997824457 0.59071555968227 0.36869884791782 15.999 13 O 0.17154997824457 0.90928444031773 0.36869884791782 15.999 14 O 0.41763740257716 0.25000000000000 0.29751137233181 15.999 15 O 0.58236259742284 0.75000000000000 0.70248862766819 15.999 16 O 0.82845002175543 0.09071555968227 0.63130115208218 15.999 17 O 0.82845002175543 0.40928444031773 0.63130115208218 15.999 18 O 0.32845002175543 0.09071555968227 0.86869884791782 15.999 19 O 0.32845002175543 0.40928444031773 0.86869884791782 15.999 20 O 0.08236259742284 0.75000000000000 0.79751137233181 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.704074360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.288260879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.766305200000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 3 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 1 4 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 5 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 5 6 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 5 7 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 5 8 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 5 9 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 9 10 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 9 11 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 9 12 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 9 13 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 13 14 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 13 15 Ca 0.25000000000000 0.50000000000000 0.75000000000000 40.078 > 13 16 Ca 0.75000000000000 0.50000000000000 0.75000000000000 40.078 > 13 17 Se 0.26205131340080 0.75000000000000 0.00783719670848 78.960 > 17 18 Se 0.76205131340080 0.75000000000000 0.00783719670848 78.960 > 17 19 Se 0.26205131340080 0.75000000000000 0.50783719670848 78.960 > 17 20 Se 0.76205131340080 0.75000000000000 0.50783719670848 78.960 > 17 21 Se 0.01205131340080 0.75000000000000 0.24216280329152 78.960 > 21 22 Se 0.51205131340080 0.75000000000000 0.24216280329152 78.960 > 21 23 Se 0.01205131340080 0.75000000000000 0.74216280329152 78.960 > 21 24 Se 0.51205131340080 0.75000000000000 0.74216280329152 78.960 > 21 25 Se 0.48794868659920 0.25000000000000 0.25783719670848 78.960 > 25 26 Se 0.98794868659920 0.25000000000000 0.25783719670848 78.960 > 25 27 Se 0.48794868659920 0.25000000000000 0.75783719670848 78.960 > 25 28 Se 0.98794868659920 0.25000000000000 0.75783719670848 78.960 > 25 29 Se 0.23794868659920 0.25000000000000 0.49216280329152 78.960 > 29 30 Se 0.73794868659920 0.25000000000000 0.49216280329152 78.960 > 29 31 Se 0.23794868659920 0.25000000000000 0.99216280329152 78.960 > 29 32 Se 0.73794868659920 0.25000000000000 0.99216280329152 78.960 > 29 33 O 0.45881870128858 0.25000000000000 0.10124431383410 15.999 > 33 34 O 0.95881870128858 0.25000000000000 0.10124431383410 15.999 > 33 35 O 0.45881870128858 0.25000000000000 0.60124431383410 15.999 > 33 36 O 0.95881870128858 0.25000000000000 0.60124431383410 15.999 > 33 37 O 0.33577498912229 0.59071555968227 0.06565057604109 15.999 > 37 38 O 0.83577498912229 0.59071555968227 0.06565057604109 15.999 > 37 39 O 0.33577498912229 0.59071555968227 0.56565057604109 15.999 > 37 40 O 0.83577498912229 0.59071555968227 0.56565057604109 15.999 > 37 41 O 0.33577498912229 0.90928444031773 0.06565057604109 15.999 > 41 42 O 0.83577498912229 0.90928444031773 0.06565057604109 15.999 > 41 43 O 0.33577498912229 0.90928444031773 0.56565057604109 15.999 > 41 44 O 0.83577498912229 0.90928444031773 0.56565057604109 15.999 > 41 45 O 0.08577498912229 0.59071555968227 0.18434942395891 15.999 > 45 46 O 0.58577498912229 0.59071555968227 0.18434942395891 15.999 > 45 47 O 0.08577498912229 0.59071555968227 0.68434942395891 15.999 > 45 48 O 0.58577498912229 0.59071555968227 0.68434942395891 15.999 > 45 49 O 0.08577498912229 0.90928444031773 0.18434942395891 15.999 > 49 50 O 0.58577498912229 0.90928444031773 0.18434942395891 15.999 > 49 51 O 0.08577498912229 0.90928444031773 0.68434942395891 15.999 > 49 52 O 0.58577498912229 0.90928444031773 0.68434942395891 15.999 > 49 53 O 0.20881870128858 0.25000000000000 0.14875568616590 15.999 > 53 54 O 0.70881870128858 0.25000000000000 0.14875568616590 15.999 > 53 55 O 0.20881870128858 0.25000000000000 0.64875568616590 15.999 > 53 56 O 0.70881870128858 0.25000000000000 0.64875568616590 15.999 > 53 57 O 0.29118129871142 0.75000000000000 0.35124431383410 15.999 > 57 58 O 0.79118129871142 0.75000000000000 0.35124431383410 15.999 > 57 59 O 0.29118129871142 0.75000000000000 0.85124431383410 15.999 > 57 60 O 0.79118129871142 0.75000000000000 0.85124431383410 15.999 > 57 61 O 0.41422501087771 0.09071555968227 0.31565057604109 15.999 > 61 62 O 0.91422501087771 0.09071555968227 0.31565057604109 15.999 > 61 63 O 0.41422501087771 0.09071555968227 0.81565057604109 15.999 > 61 64 O 0.91422501087771 0.09071555968227 0.81565057604109 15.999 > 61 65 O 0.41422501087771 0.40928444031773 0.31565057604109 15.999 > 65 66 O 0.91422501087771 0.40928444031773 0.31565057604109 15.999 > 65 67 O 0.41422501087771 0.40928444031773 0.81565057604109 15.999 > 65 68 O 0.91422501087771 0.40928444031773 0.81565057604109 15.999 > 65 69 O 0.16422501087771 0.09071555968227 0.43434942395891 15.999 > 69 70 O 0.66422501087771 0.09071555968227 0.43434942395891 15.999 > 69 71 O 0.16422501087771 0.09071555968227 0.93434942395891 15.999 > 69 72 O 0.66422501087771 0.09071555968227 0.93434942395891 15.999 > 69 73 O 0.16422501087771 0.40928444031773 0.43434942395891 15.999 > 73 74 O 0.66422501087771 0.40928444031773 0.43434942395891 15.999 > 73 75 O 0.16422501087771 0.40928444031773 0.93434942395891 15.999 > 73 76 O 0.66422501087771 0.40928444031773 0.93434942395891 15.999 > 73 77 O 0.04118129871142 0.75000000000000 0.39875568616590 15.999 > 77 78 O 0.54118129871142 0.75000000000000 0.39875568616590 15.999 > 77 79 O 0.04118129871142 0.75000000000000 0.89875568616590 15.999 > 77 80 O 0.54118129871142 0.75000000000000 0.89875568616590 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2565010 0.0000000 0.0000000 0.0000000 3.7154655 0.0000000 0.0000000 0.0000000 3.6970119 -------------------------- Born effective charges -------------------------- 1 Ca 2.5246249 -0.0786191 -0.1183064 0.1668329 2.5083853 -0.3565586 0.1101377 0.3223733 2.6571661 2 Ca 2.5246249 0.0786191 -0.1183064 -0.1668329 2.5083853 0.3565586 0.1101377 -0.3223733 2.6571661 3 Ca 2.5246249 -0.0786191 0.1183064 0.1668329 2.5083853 0.3565586 -0.1101377 -0.3223733 2.6571661 4 Ca 2.5246249 0.0786191 0.1183064 -0.1668329 2.5083853 -0.3565586 -0.1101377 0.3223733 2.6571661 5 Se 1.9581552 0.0000000 0.3873074 0.0000000 3.2823581 0.0000000 0.4229055 0.0000000 3.0557476 6 Se 1.9581552 0.0000000 -0.3873074 0.0000000 3.2823581 0.0000000 -0.4229055 0.0000000 3.0557476 7 Se 1.9581552 0.0000000 -0.3873074 0.0000000 3.2823581 0.0000000 -0.4229055 0.0000000 3.0557476 8 Se 1.9581552 0.0000000 0.3873074 0.0000000 3.2823581 0.0000000 0.4229055 0.0000000 3.0557476 9 O -1.0948216 0.0000000 0.0664881 0.0000000 -1.4305730 0.0000000 -0.3684857 0.0000000 -2.7615525 10 O -1.6939793 0.2829223 -0.0466519 0.8656790 -2.1800852 0.4215061 -0.3505853 0.5585714 -1.4756806 11 O -1.6939793 -0.2829223 -0.0466519 -0.8656790 -2.1800852 -0.4215061 -0.3505853 -0.5585714 -1.4756806 12 O -1.6939793 0.2829223 0.0466519 0.8656790 -2.1800852 -0.4215061 0.3505853 -0.5585714 -1.4756806 13 O -1.6939793 -0.2829223 0.0466519 -0.8656790 -2.1800852 0.4215061 0.3505853 0.5585714 -1.4756806 14 O -1.0948216 0.0000000 -0.0664881 0.0000000 -1.4305730 0.0000000 0.3684857 0.0000000 -2.7615525 15 O -1.0948216 0.0000000 -0.0664881 0.0000000 -1.4305730 0.0000000 0.3684857 0.0000000 -2.7615525 16 O -1.6939793 -0.2829223 0.0466519 -0.8656790 -2.1800852 0.4215061 0.3505853 0.5585714 -1.4756806 17 O -1.6939793 0.2829223 0.0466519 0.8656790 -2.1800852 -0.4215061 0.3505853 -0.5585714 -1.4756806 18 O -1.6939793 -0.2829223 -0.0466519 -0.8656790 -2.1800852 -0.4215061 -0.3505853 -0.5585714 -1.4756806 19 O -1.6939793 0.2829223 -0.0466519 0.8656790 -2.1800852 0.4215061 -0.3505853 0.5585714 -1.4756806 20 O -1.0948216 0.0000000 0.0664881 0.0000000 -1.4305730 0.0000000 -0.3684857 0.0000000 -2.7615525 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (yzy) 0.00000007 (yzy) 0.00000007 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (zx) 0.00000005 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:19:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.352037180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.288260879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.383152600000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 4 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 5 Se 0.52410262680160 0.75000000000000 0.01567439341695 78.960 6 Se 0.02410262680160 0.75000000000000 0.48432560658305 78.960 7 Se 0.97589737319840 0.25000000000000 0.51567439341695 78.960 8 Se 0.47589737319840 0.25000000000000 0.98432560658305 78.960 9 O 0.91763740257716 0.25000000000000 0.20248862766819 15.999 10 O 0.67154997824457 0.59071555968227 0.13130115208218 15.999 11 O 0.67154997824457 0.90928444031773 0.13130115208218 15.999 12 O 0.17154997824457 0.59071555968227 0.36869884791782 15.999 13 O 0.17154997824457 0.90928444031773 0.36869884791782 15.999 14 O 0.41763740257716 0.25000000000000 0.29751137233181 15.999 15 O 0.58236259742284 0.75000000000000 0.70248862766819 15.999 16 O 0.82845002175543 0.09071555968227 0.63130115208218 15.999 17 O 0.82845002175543 0.40928444031773 0.63130115208218 15.999 18 O 0.32845002175543 0.09071555968227 0.86869884791782 15.999 19 O 0.32845002175543 0.40928444031773 0.86869884791782 15.999 20 O 0.08236259742284 0.75000000000000 0.79751137233181 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.704074360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.288260879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.766305200000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 3 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 1 4 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 5 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 5 6 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 5 7 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 5 8 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 5 9 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 9 10 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 9 11 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 9 12 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 9 13 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 13 14 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 13 15 Ca 0.25000000000000 0.50000000000000 0.75000000000000 40.078 > 13 16 Ca 0.75000000000000 0.50000000000000 0.75000000000000 40.078 > 13 17 Se 0.26205131340080 0.75000000000000 0.00783719670848 78.960 > 17 18 Se 0.76205131340080 0.75000000000000 0.00783719670848 78.960 > 17 19 Se 0.26205131340080 0.75000000000000 0.50783719670848 78.960 > 17 20 Se 0.76205131340080 0.75000000000000 0.50783719670848 78.960 > 17 21 Se 0.01205131340080 0.75000000000000 0.24216280329152 78.960 > 21 22 Se 0.51205131340080 0.75000000000000 0.24216280329152 78.960 > 21 23 Se 0.01205131340080 0.75000000000000 0.74216280329152 78.960 > 21 24 Se 0.51205131340080 0.75000000000000 0.74216280329152 78.960 > 21 25 Se 0.48794868659920 0.25000000000000 0.25783719670848 78.960 > 25 26 Se 0.98794868659920 0.25000000000000 0.25783719670848 78.960 > 25 27 Se 0.48794868659920 0.25000000000000 0.75783719670848 78.960 > 25 28 Se 0.98794868659920 0.25000000000000 0.75783719670848 78.960 > 25 29 Se 0.23794868659920 0.25000000000000 0.49216280329152 78.960 > 29 30 Se 0.73794868659920 0.25000000000000 0.49216280329152 78.960 > 29 31 Se 0.23794868659920 0.25000000000000 0.99216280329152 78.960 > 29 32 Se 0.73794868659920 0.25000000000000 0.99216280329152 78.960 > 29 33 O 0.45881870128858 0.25000000000000 0.10124431383410 15.999 > 33 34 O 0.95881870128858 0.25000000000000 0.10124431383410 15.999 > 33 35 O 0.45881870128858 0.25000000000000 0.60124431383410 15.999 > 33 36 O 0.95881870128858 0.25000000000000 0.60124431383410 15.999 > 33 37 O 0.33577498912229 0.59071555968227 0.06565057604109 15.999 > 37 38 O 0.83577498912229 0.59071555968227 0.06565057604109 15.999 > 37 39 O 0.33577498912229 0.59071555968227 0.56565057604109 15.999 > 37 40 O 0.83577498912229 0.59071555968227 0.56565057604109 15.999 > 37 41 O 0.33577498912229 0.90928444031773 0.06565057604109 15.999 > 41 42 O 0.83577498912229 0.90928444031773 0.06565057604109 15.999 > 41 43 O 0.33577498912229 0.90928444031773 0.56565057604109 15.999 > 41 44 O 0.83577498912229 0.90928444031773 0.56565057604109 15.999 > 41 45 O 0.08577498912229 0.59071555968227 0.18434942395891 15.999 > 45 46 O 0.58577498912229 0.59071555968227 0.18434942395891 15.999 > 45 47 O 0.08577498912229 0.59071555968227 0.68434942395891 15.999 > 45 48 O 0.58577498912229 0.59071555968227 0.68434942395891 15.999 > 45 49 O 0.08577498912229 0.90928444031773 0.18434942395891 15.999 > 49 50 O 0.58577498912229 0.90928444031773 0.18434942395891 15.999 > 49 51 O 0.08577498912229 0.90928444031773 0.68434942395891 15.999 > 49 52 O 0.58577498912229 0.90928444031773 0.68434942395891 15.999 > 49 53 O 0.20881870128858 0.25000000000000 0.14875568616590 15.999 > 53 54 O 0.70881870128858 0.25000000000000 0.14875568616590 15.999 > 53 55 O 0.20881870128858 0.25000000000000 0.64875568616590 15.999 > 53 56 O 0.70881870128858 0.25000000000000 0.64875568616590 15.999 > 53 57 O 0.29118129871142 0.75000000000000 0.35124431383410 15.999 > 57 58 O 0.79118129871142 0.75000000000000 0.35124431383410 15.999 > 57 59 O 0.29118129871142 0.75000000000000 0.85124431383410 15.999 > 57 60 O 0.79118129871142 0.75000000000000 0.85124431383410 15.999 > 57 61 O 0.41422501087771 0.09071555968227 0.31565057604109 15.999 > 61 62 O 0.91422501087771 0.09071555968227 0.31565057604109 15.999 > 61 63 O 0.41422501087771 0.09071555968227 0.81565057604109 15.999 > 61 64 O 0.91422501087771 0.09071555968227 0.81565057604109 15.999 > 61 65 O 0.41422501087771 0.40928444031773 0.31565057604109 15.999 > 65 66 O 0.91422501087771 0.40928444031773 0.31565057604109 15.999 > 65 67 O 0.41422501087771 0.40928444031773 0.81565057604109 15.999 > 65 68 O 0.91422501087771 0.40928444031773 0.81565057604109 15.999 > 65 69 O 0.16422501087771 0.09071555968227 0.43434942395891 15.999 > 69 70 O 0.66422501087771 0.09071555968227 0.43434942395891 15.999 > 69 71 O 0.16422501087771 0.09071555968227 0.93434942395891 15.999 > 69 72 O 0.66422501087771 0.09071555968227 0.93434942395891 15.999 > 69 73 O 0.16422501087771 0.40928444031773 0.43434942395891 15.999 > 73 74 O 0.66422501087771 0.40928444031773 0.43434942395891 15.999 > 73 75 O 0.16422501087771 0.40928444031773 0.93434942395891 15.999 > 73 76 O 0.66422501087771 0.40928444031773 0.93434942395891 15.999 > 73 77 O 0.04118129871142 0.75000000000000 0.39875568616590 15.999 > 77 78 O 0.54118129871142 0.75000000000000 0.39875568616590 15.999 > 77 79 O 0.04118129871142 0.75000000000000 0.89875568616590 15.999 > 77 80 O 0.54118129871142 0.75000000000000 0.89875568616590 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2565010 0.0000000 0.0000000 0.0000000 3.7154655 0.0000000 0.0000000 0.0000000 3.6970119 -------------------------- Born effective charges -------------------------- 1 Ca 2.5246249 -0.0786191 -0.1183064 0.1668329 2.5083853 -0.3565586 0.1101377 0.3223733 2.6571661 2 Ca 2.5246249 0.0786191 -0.1183064 -0.1668329 2.5083853 0.3565586 0.1101377 -0.3223733 2.6571661 3 Ca 2.5246249 -0.0786191 0.1183064 0.1668329 2.5083853 0.3565586 -0.1101377 -0.3223733 2.6571661 4 Ca 2.5246249 0.0786191 0.1183064 -0.1668329 2.5083853 -0.3565586 -0.1101377 0.3223733 2.6571661 5 Se 1.9581552 0.0000000 0.3873074 0.0000000 3.2823581 0.0000000 0.4229055 0.0000000 3.0557476 6 Se 1.9581552 0.0000000 -0.3873074 0.0000000 3.2823581 0.0000000 -0.4229055 0.0000000 3.0557476 7 Se 1.9581552 0.0000000 -0.3873074 0.0000000 3.2823581 0.0000000 -0.4229055 0.0000000 3.0557476 8 Se 1.9581552 0.0000000 0.3873074 0.0000000 3.2823581 0.0000000 0.4229055 0.0000000 3.0557476 9 O -1.0948216 0.0000000 0.0664881 0.0000000 -1.4305730 0.0000000 -0.3684857 0.0000000 -2.7615525 10 O -1.6939793 0.2829223 -0.0466519 0.8656790 -2.1800852 0.4215061 -0.3505853 0.5585714 -1.4756806 11 O -1.6939793 -0.2829223 -0.0466519 -0.8656790 -2.1800852 -0.4215061 -0.3505853 -0.5585714 -1.4756806 12 O -1.6939793 0.2829223 0.0466519 0.8656790 -2.1800852 -0.4215061 0.3505853 -0.5585714 -1.4756806 13 O -1.6939793 -0.2829223 0.0466519 -0.8656790 -2.1800852 0.4215061 0.3505853 0.5585714 -1.4756806 14 O -1.0948216 0.0000000 -0.0664881 0.0000000 -1.4305730 0.0000000 0.3684857 0.0000000 -2.7615525 15 O -1.0948216 0.0000000 -0.0664881 0.0000000 -1.4305730 0.0000000 0.3684857 0.0000000 -2.7615525 16 O -1.6939793 -0.2829223 0.0466519 -0.8656790 -2.1800852 0.4215061 0.3505853 0.5585714 -1.4756806 17 O -1.6939793 0.2829223 0.0466519 0.8656790 -2.1800852 -0.4215061 0.3505853 -0.5585714 -1.4756806 18 O -1.6939793 -0.2829223 -0.0466519 -0.8656790 -2.1800852 -0.4215061 -0.3505853 -0.5585714 -1.4756806 19 O -1.6939793 0.2829223 -0.0466519 0.8656790 -2.1800852 0.4215061 -0.3505853 0.5585714 -1.4756806 20 O -1.0948216 0.0000000 0.0664881 0.0000000 -1.4305730 0.0000000 -0.3684857 0.0000000 -2.7615525 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yzy) 0.00000007 (yzy) 0.00000007 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 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: 0.63, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| -0.000 ( 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 2.309 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 8.525 ( 0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.929 ( 0.000 0.000 0.000) 0.000 11.399 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.724 ( 0.000 0.000 0.000) 0.000 12.540 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 13.318 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 19.579 ( 0.000 0.000 0.000) 0.000 19.858 ( 0.000 0.000 0.000) 0.000 19.990 ( 0.000 0.000 0.000) 0.000 20.155 ( 0.000 0.000 0.000) 0.000 20.594 ( 0.000 0.000 0.000) 0.000 20.706 ( 0.000 0.000 0.000) 0.000 20.816 ( 0.000 0.000 0.000) 0.000 22.309 ( 0.000 0.000 0.000) 0.000 22.578 ( 0.000 0.000 0.000) 0.000 22.834 ( 0.000 0.000 0.000) 0.000 22.898 ( 0.000 0.000 0.000) 0.000 23.253 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 21.554 0.000 0.000) 21.554 0.555 ( 27.863 0.000 0.000) 27.863 0.964 ( 48.268 0.000 0.000) 48.268 2.314 ( 1.203 0.000 0.000) 1.203 2.572 ( -2.814 0.000 0.000) 2.814 2.837 ( -5.681 0.000 0.000) 5.681 3.004 ( 5.646 0.000 0.000) 5.646 3.051 ( 0.905 0.000 0.000) 0.905 3.334 ( -5.696 0.000 0.000) 5.696 3.761 ( 15.427 0.000 0.000) 15.427 3.781 ( 1.397 0.000 0.000) 1.397 4.073 ( 1.804 0.000 0.000) 1.804 4.406 ( -2.997 0.000 0.000) 2.997 4.437 ( 14.339 0.000 0.000) 14.339 4.471 ( -1.523 0.000 0.000) 1.523 4.786 ( -7.943 0.000 0.000) 7.943 5.225 ( 3.125 0.000 0.000) 3.125 5.618 ( 0.233 0.000 0.000) 0.233 5.716 ( -4.654 0.000 0.000) 4.654 5.930 ( -3.160 0.000 0.000) 3.160 6.331 ( 1.031 0.000 0.000) 1.031 6.353 ( -1.837 0.000 0.000) 1.837 6.671 ( -9.730 0.000 0.000) 9.730 6.747 ( -1.958 0.000 0.000) 1.958 6.775 ( -3.378 0.000 0.000) 3.378 6.937 ( -2.025 0.000 0.000) 2.025 6.986 ( 0.845 0.000 0.000) 0.845 7.015 ( -6.904 0.000 0.000) 6.904 7.146 ( 1.046 0.000 0.000) 1.046 7.508 ( -2.242 0.000 0.000) 2.242 8.221 ( -7.518 0.000 0.000) 7.518 8.418 ( 5.157 0.000 0.000) 5.157 8.504 ( -3.914 0.000 0.000) 3.914 8.655 ( 3.223 0.000 0.000) 3.223 8.783 ( 16.620 0.000 0.000) 16.620 9.978 ( -0.723 0.000 0.000) 0.723 10.067 ( -4.047 0.000 0.000) 4.047 10.448 ( -7.911 0.000 0.000) 7.911 10.682 ( 3.363 0.000 0.000) 3.363 10.921 ( -0.779 0.000 0.000) 0.779 11.408 ( 0.803 0.000 0.000) 0.803 11.495 ( 2.783 0.000 0.000) 2.783 11.615 ( -1.456 0.000 0.000) 1.456 11.730 ( 0.445 0.000 0.000) 0.445 12.569 ( 2.785 0.000 0.000) 2.785 13.256 ( -5.401 0.000 0.000) 5.401 13.797 ( 6.477 0.000 0.000) 6.477 14.611 ( -2.475 0.000 0.000) 2.475 19.594 ( 1.487 0.000 0.000) 1.487 19.904 ( 2.237 0.000 0.000) 2.237 20.024 ( 5.803 0.000 0.000) 5.803 20.172 ( 1.680 0.000 0.000) 1.680 20.574 ( -1.959 0.000 0.000) 1.959 20.706 ( 0.040 0.000 0.000) 0.040 20.856 ( -0.773 0.000 0.000) 0.773 22.216 ( -9.280 0.000 0.000) 9.280 22.593 ( 1.532 0.000 0.000) 1.532 22.888 ( -0.969 0.000 0.000) 0.969 23.276 ( 2.296 0.000 0.000) 2.296 23.867 ( -3.061 0.000 0.000) 3.061 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 0.846 ( 20.420 0.000 0.000) 20.420 1.090 ( 26.279 0.000 0.000) 26.279 1.880 ( 43.837 0.000 0.000) 43.837 2.382 ( 6.014 0.000 0.000) 6.014 2.401 ( -14.176 0.000 0.000) 14.176 2.678 ( -9.850 0.000 0.000) 9.850 3.089 ( -1.757 0.000 0.000) 1.757 3.152 ( 8.784 0.000 0.000) 8.784 3.289 ( 5.639 0.000 0.000) 5.639 3.802 ( 0.313 0.000 0.000) 0.313 4.114 ( 13.302 0.000 0.000) 13.302 4.121 ( 2.849 0.000 0.000) 2.849 4.364 ( 4.803 0.000 0.000) 4.803 4.428 ( -2.790 0.000 0.000) 2.790 4.565 ( -14.319 0.000 0.000) 14.319 4.782 ( 19.627 0.000 0.000) 19.627 5.314 ( 5.813 0.000 0.000) 5.813 5.614 ( -0.832 0.000 0.000) 0.832 5.625 ( -3.839 0.000 0.000) 3.839 5.841 ( -5.715 0.000 0.000) 5.715 6.294 ( -3.873 0.000 0.000) 3.873 6.320 ( -2.407 0.000 0.000) 2.407 6.397 ( -17.936 0.000 0.000) 17.936 6.578 ( -16.517 0.000 0.000) 16.517 6.715 ( -0.791 0.000 0.000) 0.791 6.889 ( -2.676 0.000 0.000) 2.676 6.936 ( -0.537 0.000 0.000) 0.537 6.997 ( 0.213 0.000 0.000) 0.213 7.181 ( 2.488 0.000 0.000) 2.488 7.452 ( -3.170 0.000 0.000) 3.170 8.136 ( -1.455 0.000 0.000) 1.455 8.406 ( -5.576 0.000 0.000) 5.576 8.552 ( 7.856 0.000 0.000) 7.856 8.732 ( 4.087 0.000 0.000) 4.087 9.106 ( 15.673 0.000 0.000) 15.673 9.959 ( -6.695 0.000 0.000) 6.695 9.961 ( -0.823 0.000 0.000) 0.823 10.277 ( -9.006 0.000 0.000) 9.006 10.737 ( 2.347 0.000 0.000) 2.347 10.899 ( -1.512 0.000 0.000) 1.512 11.429 ( 1.350 0.000 0.000) 1.350 11.563 ( 3.860 0.000 0.000) 3.860 11.580 ( -2.014 0.000 0.000) 2.014 11.735 ( -0.059 0.000 0.000) 0.059 12.644 ( 4.733 0.000 0.000) 4.733 13.133 ( -6.701 0.000 0.000) 6.701 13.949 ( 8.482 0.000 0.000) 8.482 14.540 ( -4.722 0.000 0.000) 4.722 19.636 ( 2.730 0.000 0.000) 2.730 19.896 ( -2.094 0.000 0.000) 2.094 20.218 ( 2.970 0.000 0.000) 2.970 20.259 ( 16.728 0.000 0.000) 16.728 20.520 ( -3.408 0.000 0.000) 3.408 20.710 ( 0.515 0.000 0.000) 0.515 20.834 ( -1.479 0.000 0.000) 1.479 21.954 ( -17.026 0.000 0.000) 17.026 22.635 ( 2.684 0.000 0.000) 2.684 22.860 ( -1.867 0.000 0.000) 1.867 23.340 ( 4.130 0.000 0.000) 4.130 23.783 ( -5.212 0.000 0.000) 5.212 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 20.565 0.000 0.000) 20.565 1.583 ( 23.678 0.000 0.000) 23.678 2.060 ( -19.564 0.000 0.000) 19.564 2.345 ( -10.860 0.000 0.000) 10.860 2.546 ( 10.204 0.000 0.000) 10.204 2.771 ( 32.693 0.000 0.000) 32.693 2.961 ( -9.075 0.000 0.000) 9.075 3.318 ( 6.894 0.000 0.000) 6.894 3.524 ( 14.872 0.000 0.000) 14.872 3.787 ( -1.360 0.000 0.000) 1.360 4.062 ( -10.230 0.000 0.000) 10.230 4.137 ( -8.183 0.000 0.000) 8.183 4.270 ( -8.439 0.000 0.000) 8.439 4.364 ( -3.620 0.000 0.000) 3.620 4.776 ( 27.765 0.000 0.000) 27.765 5.173 ( 18.767 0.000 0.000) 18.767 5.451 ( 7.951 0.000 0.000) 7.951 5.576 ( -1.246 0.000 0.000) 1.246 5.589 ( -1.443 0.000 0.000) 1.443 5.711 ( -7.427 0.000 0.000) 7.427 5.987 ( -22.398 0.000 0.000) 22.398 6.197 ( -20.867 0.000 0.000) 20.867 6.222 ( -2.833 0.000 0.000) 2.833 6.251 ( -3.800 0.000 0.000) 3.800 6.724 ( 1.633 0.000 0.000) 1.633 6.833 ( -3.047 0.000 0.000) 3.047 6.951 ( 1.361 0.000 0.000) 1.361 6.994 ( -0.525 0.000 0.000) 0.525 7.242 ( 3.559 0.000 0.000) 3.559 7.386 ( -3.517 0.000 0.000) 3.517 8.146 ( 2.073 0.000 0.000) 2.073 8.298 ( -5.188 0.000 0.000) 5.188 8.702 ( 6.702 0.000 0.000) 6.702 8.796 ( 2.017 0.000 0.000) 2.017 9.390 ( 13.097 0.000 0.000) 13.097 9.809 ( -8.542 0.000 0.000) 8.542 9.956 ( 0.574 0.000 0.000) 0.574 10.111 ( -7.478 0.000 0.000) 7.478 10.780 ( 2.094 0.000 0.000) 2.094 10.863 ( -2.016 0.000 0.000) 2.016 11.460 ( 1.765 0.000 0.000) 1.765 11.539 ( -2.132 0.000 0.000) 2.132 11.636 ( 3.373 0.000 0.000) 3.373 11.724 ( -1.056 0.000 0.000) 1.056 12.749 ( 5.821 0.000 0.000) 5.821 13.000 ( -6.742 0.000 0.000) 6.742 14.119 ( 8.664 0.000 0.000) 8.664 14.428 ( -6.579 0.000 0.000) 6.579 19.698 ( 3.524 0.000 0.000) 3.524 19.841 ( -3.310 0.000 0.000) 3.310 20.285 ( 3.750 0.000 0.000) 3.750 20.445 ( -4.095 0.000 0.000) 4.095 20.647 ( 22.116 0.000 0.000) 22.116 20.728 ( 1.320 0.000 0.000) 1.320 20.800 ( -1.944 0.000 0.000) 1.944 21.564 ( -22.099 0.000 0.000) 22.099 22.695 ( 3.221 0.000 0.000) 3.221 22.816 ( -2.631 0.000 0.000) 2.631 23.435 ( 5.372 0.000 0.000) 5.372 23.670 ( -6.135 0.000 0.000) 6.135 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -20.952 0.000 0.000) 20.952 1.657 ( 20.952 0.000 0.000) 20.952 2.015 ( -19.967 0.000 0.000) 19.967 2.015 ( 19.967 0.000 0.000) 19.967 2.760 ( -10.993 0.000 0.000) 10.993 2.760 ( 10.993 0.000 0.000) 10.993 3.306 ( -13.960 0.000 0.000) 13.960 3.306 ( 13.960 0.000 0.000) 13.960 3.817 ( -14.193 0.000 0.000) 14.193 3.817 ( 14.193 0.000 0.000) 14.193 3.831 ( -10.444 0.000 0.000) 10.444 3.831 ( 10.444 0.000 0.000) 10.444 4.291 ( -3.637 0.000 0.000) 3.637 4.291 ( 3.637 0.000 0.000) 3.637 5.289 ( -18.479 0.000 0.000) 18.479 5.289 ( 18.479 0.000 0.000) 18.479 5.562 ( -6.033 0.000 0.000) 6.033 5.562 ( 6.033 0.000 0.000) 6.033 5.569 ( -0.397 0.000 0.000) 0.397 5.569 ( 0.397 0.000 0.000) 0.397 5.816 ( -14.042 0.000 0.000) 14.042 5.816 ( 14.042 0.000 0.000) 14.042 6.200 ( -0.834 0.000 0.000) 0.834 6.200 ( 0.834 0.000 0.000) 0.834 6.772 ( -3.001 0.000 0.000) 3.001 6.772 ( 3.001 0.000 0.000) 3.001 6.977 ( -1.182 0.000 0.000) 1.182 6.977 ( 1.182 0.000 0.000) 1.182 7.315 ( -3.753 0.000 0.000) 3.753 7.315 ( 3.753 0.000 0.000) 3.753 8.207 ( -3.972 0.000 0.000) 3.972 8.207 ( 3.972 0.000 0.000) 3.972 8.795 ( -2.428 0.000 0.000) 2.428 8.795 ( 2.428 0.000 0.000) 2.428 9.622 ( -10.558 0.000 0.000) 10.558 9.622 ( 10.558 0.000 0.000) 10.558 9.997 ( -3.900 0.000 0.000) 3.900 9.997 ( 3.900 0.000 0.000) 3.900 10.822 ( -2.150 0.000 0.000) 2.150 10.822 ( 2.150 0.000 0.000) 2.150 11.497 ( -2.031 0.000 0.000) 2.031 11.497 ( 2.031 0.000 0.000) 2.031 11.692 ( -2.252 0.000 0.000) 2.252 11.692 ( 2.252 0.000 0.000) 2.252 12.870 ( -6.417 0.000 0.000) 6.417 12.870 ( 6.417 0.000 0.000) 6.417 14.284 ( -7.937 0.000 0.000) 7.937 14.284 ( 7.937 0.000 0.000) 7.937 19.771 ( -3.735 0.000 0.000) 3.735 19.771 ( 3.735 0.000 0.000) 3.735 20.363 ( -4.131 0.000 0.000) 4.131 20.363 ( 4.131 0.000 0.000) 4.131 20.761 ( -1.918 0.000 0.000) 1.918 20.761 ( 1.918 0.000 0.000) 1.918 21.106 ( -23.874 0.000 0.000) 23.874 21.106 ( 23.874 0.000 0.000) 23.874 22.758 ( -3.146 0.000 0.000) 3.146 22.758 ( 3.146 0.000 0.000) 3.146 23.548 ( -6.074 0.000 0.000) 6.074 23.548 ( 6.074 0.000 0.000) 6.074 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 0.000 20.691 0.000) 20.691 0.786 ( 0.000 38.887 0.000) 38.887 1.025 ( 0.000 47.105 0.000) 47.105 2.344 ( 0.000 -14.689 0.000) 14.689 2.735 ( 0.000 12.812 0.000) 12.812 2.951 ( 0.000 8.848 0.000) 8.848 2.968 ( 0.000 2.182 0.000) 2.182 3.107 ( 0.000 3.977 0.000) 3.977 3.429 ( 0.000 1.841 0.000) 1.841 3.524 ( 0.000 -7.587 0.000) 7.587 3.741 ( 0.000 -23.497 0.000) 23.497 3.918 ( 0.000 12.136 0.000) 12.136 4.345 ( 0.000 -11.492 0.000) 11.492 4.377 ( 0.000 7.141 0.000) 7.141 4.954 ( 0.000 8.408 0.000) 8.408 4.997 ( 0.000 11.326 0.000) 11.326 5.050 ( 0.000 -1.573 0.000) 1.573 5.400 ( 0.000 17.129 0.000) 17.129 5.608 ( 0.000 -0.809 0.000) 0.809 6.030 ( 0.000 3.344 0.000) 3.344 6.174 ( 0.000 -17.853 0.000) 17.853 6.350 ( 0.000 -15.397 0.000) 15.397 6.380 ( 0.000 7.141 0.000) 7.141 6.657 ( 0.000 -8.630 0.000) 8.630 6.713 ( 0.000 -9.498 0.000) 9.498 6.780 ( 0.000 -2.293 0.000) 2.293 6.825 ( 0.000 -10.624 0.000) 10.624 7.098 ( 0.000 -2.073 0.000) 2.073 7.733 ( 0.000 15.496 0.000) 15.496 7.820 ( 0.000 0.447 0.000) 0.447 7.997 ( 0.000 -4.673 0.000) 4.673 8.524 ( 0.000 10.857 0.000) 10.857 8.578 ( 0.000 -4.137 0.000) 4.137 8.632 ( 0.000 8.805 0.000) 8.805 9.210 ( 0.000 -3.313 0.000) 3.313 9.952 ( 0.000 -7.396 0.000) 7.396 10.116 ( 0.000 4.576 0.000) 4.576 10.511 ( 0.000 0.166 0.000) 0.166 10.612 ( 0.000 -0.648 0.000) 0.648 10.869 ( 0.000 -5.699 0.000) 5.699 11.415 ( 0.000 1.347 0.000) 1.347 11.467 ( 0.000 0.099 0.000) 0.099 11.698 ( 0.000 6.242 0.000) 6.242 12.339 ( 0.000 -4.610 0.000) 4.610 12.557 ( 0.000 1.253 0.000) 1.253 12.654 ( 0.000 -0.769 0.000) 0.769 13.344 ( 0.000 2.586 0.000) 2.586 13.696 ( 0.000 -2.737 0.000) 2.737 19.880 ( 0.000 2.060 0.000) 2.060 19.991 ( 0.000 0.114 0.000) 0.114 20.196 ( 0.000 3.919 0.000) 3.919 20.608 ( 0.000 1.404 0.000) 1.404 20.671 ( 0.000 -3.404 0.000) 3.404 20.800 ( 0.000 -1.504 0.000) 1.504 22.328 ( 0.000 1.819 0.000) 1.819 22.560 ( 0.000 -1.698 0.000) 1.698 22.845 ( 0.000 1.044 0.000) 1.044 22.913 ( 0.000 1.550 0.000) 1.550 22.991 ( 0.000 -1.155 0.000) 1.155 23.222 ( 0.000 -3.002 0.000) 3.002 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 26.658 17.457 0.000) 31.865 0.958 ( 15.687 31.473 0.000) 35.166 1.202 ( 24.475 32.117 0.000) 40.380 2.311 ( 0.391 -5.052 0.000) 5.067 2.744 ( -1.387 14.811 0.000) 14.876 2.907 ( -4.703 8.340 0.000) 9.575 3.010 ( 4.054 0.510 0.000) 4.086 3.088 ( -0.800 2.860 0.000) 2.970 3.350 ( -4.673 0.191 0.000) 4.676 3.639 ( 10.031 -9.259 0.000) 13.651 3.811 ( 5.195 -19.830 0.000) 20.499 3.927 ( 3.040 11.089 0.000) 11.498 4.315 ( -2.896 -11.900 0.000) 12.247 4.476 ( 8.655 4.211 0.000) 9.625 4.652 ( -10.453 15.216 0.000) 18.460 4.900 ( -4.662 10.009 0.000) 11.042 5.406 ( 0.809 13.942 0.000) 13.965 5.466 ( 11.730 -11.036 0.000) 16.106 5.633 ( 2.268 2.100 0.000) 3.091 6.005 ( -1.948 5.399 0.000) 5.740 6.175 ( -0.120 -16.389 0.000) 16.389 6.332 ( -1.994 -5.232 0.000) 5.599 6.468 ( 7.042 -11.039 0.000) 13.094 6.561 ( -10.086 -9.619 0.000) 13.938 6.689 ( -3.451 -11.978 0.000) 12.465 6.700 ( -3.739 -4.935 0.000) 6.192 6.899 ( 3.611 -6.876 0.000) 7.767 7.078 ( -2.684 -1.631 0.000) 3.140 7.423 ( -19.340 12.888 0.000) 23.241 7.679 ( -5.015 13.704 0.000) 14.592 8.108 ( 1.812 -7.081 0.000) 7.309 8.487 ( -6.237 -2.794 0.000) 6.834 8.721 ( 5.890 7.722 0.000) 9.712 8.757 ( 15.044 10.643 0.000) 18.428 9.006 ( -8.790 14.490 0.000) 16.948 9.932 ( -1.964 -7.325 0.000) 7.584 10.098 ( -1.655 5.666 0.000) 5.903 10.450 ( -6.107 0.659 0.000) 6.142 10.643 ( 2.614 -2.658 0.000) 3.728 10.863 ( -0.594 -5.562 0.000) 5.594 11.418 ( 0.426 0.946 0.000) 1.038 11.493 ( 2.389 -0.205 0.000) 2.398 11.673 ( -2.491 5.145 0.000) 5.716 11.861 ( -12.438 7.745 0.000) 14.652 12.592 ( 3.818 2.293 0.000) 4.454 13.291 ( -4.653 3.419 0.000) 5.774 13.590 ( 40.221 -44.011 0.000) 59.621 13.758 ( 5.495 -3.760 0.000) 6.658 19.926 ( 2.649 2.010 0.000) 3.325 20.029 ( 5.601 0.384 0.000) 5.614 20.212 ( 1.719 3.885 0.000) 4.248 20.588 ( -1.979 1.411 0.000) 2.431 20.674 ( 0.334 -3.128 0.000) 3.146 20.729 ( -11.490 8.453 0.000) 14.264 21.274 ( -57.039 57.449 0.000) 80.956 22.233 ( -10.809 1.377 0.000) 10.896 22.619 ( 2.210 3.142 0.000) 3.841 22.904 ( -0.871 1.655 0.000) 1.870 23.242 ( 1.978 -3.307 0.000) 3.854 23.609 ( 9.916 -18.293 0.000) 20.808 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 14.001 29.247 0.000) 32.425 1.331 ( 20.814 21.690 0.000) 30.061 1.926 ( 38.367 4.602 0.000) 38.642 2.411 ( 9.711 3.523 0.000) 10.330 2.589 ( -13.626 16.509 0.000) 21.406 2.770 ( -8.438 9.380 0.000) 12.617 3.052 ( -2.878 -2.913 0.000) 4.095 3.158 ( 8.557 0.300 0.000) 8.562 3.356 ( 6.527 3.926 0.000) 7.617 3.790 ( 3.255 -2.323 0.000) 3.999 3.916 ( 5.460 -16.516 0.000) 17.395 4.123 ( 15.746 0.791 0.000) 15.766 4.236 ( -4.840 -13.375 0.000) 14.224 4.518 ( -3.183 11.183 0.000) 11.628 4.554 ( -6.345 2.519 0.000) 6.826 4.900 ( 9.354 8.912 0.000) 12.920 5.435 ( 2.090 8.001 0.000) 8.269 5.541 ( -1.037 -6.035 0.000) 6.123 5.689 ( 3.294 7.986 0.000) 8.639 5.958 ( -2.927 8.313 0.000) 8.813 6.161 ( -1.431 -12.455 0.000) 12.537 6.263 ( -5.199 -6.044 0.000) 7.972 6.281 ( -18.009 -9.674 0.000) 20.442 6.501 ( -12.291 -7.932 0.000) 14.629 6.610 ( 3.229 -18.013 0.000) 18.301 6.640 ( -2.229 -7.016 0.000) 7.361 6.952 ( 1.864 -5.043 0.000) 5.376 6.995 ( -3.335 2.761 0.000) 4.330 7.245 ( -1.253 7.628 0.000) 7.730 7.562 ( -6.288 9.869 0.000) 11.702 8.104 ( -1.142 -5.491 0.000) 5.609 8.354 ( -6.964 -4.795 0.000) 8.455 8.838 ( 5.675 9.921 0.000) 11.430 8.848 ( 1.182 21.542 0.000) 21.574 9.151 ( 14.908 3.950 0.000) 15.423 9.875 ( -3.868 -6.179 0.000) 7.290 10.059 ( -2.060 7.214 0.000) 7.503 10.305 ( -7.948 2.709 0.000) 8.397 10.691 ( 2.166 -4.200 0.000) 4.726 10.844 ( -1.339 -5.287 0.000) 5.454 11.434 ( 1.174 0.503 0.000) 1.277 11.550 ( 3.168 -1.248 0.000) 3.405 11.612 ( -3.254 2.887 0.000) 4.350 11.740 ( -2.838 0.450 0.000) 2.873 12.691 ( 5.870 4.569 0.000) 7.439 13.185 ( -5.890 4.968 0.000) 7.705 13.885 ( 6.963 -6.087 0.000) 9.249 14.066 ( 11.893 -34.351 0.000) 36.351 19.943 ( -0.179 4.284 0.000) 4.288 20.207 ( 7.511 -0.771 0.000) 7.551 20.275 ( -20.526 42.315 0.000) 47.031 20.299 ( 11.015 3.549 0.000) 11.573 20.534 ( -3.436 1.384 0.000) 3.704 20.687 ( 1.108 -2.314 0.000) 2.566 20.867 ( -4.604 6.302 0.000) 7.804 21.947 ( -17.826 -0.949 0.000) 17.852 22.670 ( 2.820 3.711 0.000) 4.661 22.879 ( -1.687 1.953 0.000) 2.580 23.297 ( 3.569 -4.149 0.000) 5.473 23.652 ( -2.240 -11.843 0.000) 12.053 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 16.081 24.211 0.000) 29.065 1.740 ( 19.963 15.015 0.000) 24.979 2.272 ( -17.184 18.389 0.000) 25.168 2.430 ( 0.395 5.198 0.000) 5.213 2.516 ( 4.098 1.247 0.000) 4.283 2.886 ( 27.371 10.593 0.000) 29.349 2.935 ( -8.250 -2.545 0.000) 8.634 3.326 ( 6.959 0.499 0.000) 6.976 3.563 ( 12.645 2.258 0.000) 12.845 3.802 ( -0.999 1.567 0.000) 1.858 4.027 ( 5.745 -13.889 0.000) 15.031 4.097 ( -7.910 -6.649 0.000) 10.333 4.268 ( -3.893 0.486 0.000) 3.923 4.293 ( -17.321 9.284 0.000) 19.652 4.728 ( 24.273 -3.371 0.000) 24.506 5.159 ( 12.724 -1.196 0.000) 12.780 5.492 ( -3.276 -5.232 0.000) 6.173 5.504 ( 6.141 4.853 0.000) 7.827 5.757 ( 1.303 11.284 0.000) 11.359 5.873 ( -20.439 -7.364 0.000) 21.725 5.890 ( -4.237 9.846 0.000) 10.719 6.104 ( -12.507 -3.153 0.000) 12.898 6.126 ( -1.638 -8.960 0.000) 9.109 6.231 ( -10.254 -5.297 0.000) 11.541 6.622 ( 0.464 -9.583 0.000) 9.594 6.657 ( 0.683 -14.058 0.000) 14.075 6.970 ( 0.024 0.529 0.000) 0.530 6.975 ( 0.534 -3.216 0.000) 3.260 7.272 ( 3.014 4.318 0.000) 5.265 7.445 ( -5.476 6.310 0.000) 8.355 8.094 ( 0.536 -5.732 0.000) 5.757 8.225 ( -5.811 -6.299 0.000) 8.570 8.906 ( 3.626 17.004 0.000) 17.386 8.930 ( 3.241 11.723 0.000) 12.163 9.422 ( 12.260 2.788 0.000) 12.573 9.778 ( -6.095 -3.044 0.000) 6.813 10.031 ( -0.420 7.012 0.000) 7.025 10.157 ( -6.712 4.364 0.000) 8.006 10.731 ( 2.012 -4.715 0.000) 5.127 10.812 ( -1.923 -5.067 0.000) 5.419 11.463 ( 1.774 0.338 0.000) 1.806 11.552 ( -2.762 1.228 0.000) 3.023 11.610 ( 2.863 -2.333 0.000) 3.693 11.699 ( -1.825 -2.218 0.000) 2.872 12.814 ( 6.449 6.273 0.000) 8.997 13.065 ( -6.217 6.277 0.000) 8.835 14.019 ( 6.445 -9.382 0.000) 11.382 14.171 ( 0.528 -21.872 0.000) 21.878 19.937 ( -0.176 8.696 0.000) 8.697 20.024 ( -6.953 26.709 0.000) 27.599 20.297 ( 3.877 1.104 0.000) 4.031 20.459 ( -4.125 1.315 0.000) 4.329 20.627 ( 17.081 -1.539 0.000) 17.150 20.731 ( 5.836 -0.097 0.000) 5.836 20.803 ( -2.825 0.949 0.000) 2.980 21.549 ( -22.160 -1.798 0.000) 22.233 22.728 ( 3.032 3.497 0.000) 4.628 22.839 ( -2.391 2.405 0.000) 3.391 23.379 ( 4.640 -5.379 0.000) 7.103 23.577 ( -4.819 -8.822 0.000) 10.053 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -15.176 17.795 0.000) 23.387 1.873 ( 15.176 17.795 0.000) 23.387 2.167 ( -15.204 14.973 0.000) 21.339 2.167 ( 15.204 14.973 0.000) 21.339 2.741 ( -11.214 -2.096 0.000) 11.409 2.741 ( 11.215 -2.096 0.000) 11.409 3.333 ( -10.823 3.058 0.000) 11.247 3.333 ( 10.823 3.058 0.000) 11.247 3.771 ( -5.087 0.382 0.000) 5.101 3.771 ( 5.087 0.382 0.000) 5.101 3.994 ( -4.270 1.664 0.000) 4.583 3.994 ( 4.270 1.664 0.000) 4.583 4.157 ( -5.953 -2.429 0.000) 6.430 4.157 ( 5.953 -2.429 0.000) 6.430 5.210 ( -16.770 -5.978 0.000) 17.804 5.210 ( 16.770 -5.978 0.000) 17.804 5.458 ( -5.239 -6.301 0.000) 8.195 5.458 ( 5.239 -6.301 0.000) 8.195 5.723 ( -13.432 0.601 0.000) 13.445 5.723 ( 13.432 0.601 0.000) 13.445 5.881 ( -6.644 14.832 0.000) 16.252 5.881 ( 6.644 14.832 0.000) 16.252 6.123 ( -2.014 -8.033 0.000) 8.281 6.123 ( 2.014 -8.033 0.000) 8.281 6.646 ( -1.389 -11.524 0.000) 11.607 6.646 ( 1.389 -11.524 0.000) 11.607 6.976 ( -0.291 -1.488 0.000) 1.516 6.976 ( 0.291 -1.488 0.000) 1.516 7.347 ( -4.480 4.300 0.000) 6.210 7.347 ( 4.480 4.300 0.000) 6.210 8.133 ( -3.440 -6.620 0.000) 7.460 8.133 ( 3.440 -6.620 0.000) 7.460 8.955 ( -0.814 13.770 0.000) 13.794 8.955 ( 0.814 13.770 0.000) 13.794 9.631 ( -8.972 0.499 0.000) 8.986 9.631 ( 8.972 0.499 0.000) 8.986 10.056 ( -3.220 5.727 0.000) 6.570 10.056 ( 3.220 5.727 0.000) 6.570 10.772 ( -2.096 -4.920 0.000) 5.348 10.772 ( 2.096 -4.920 0.000) 5.348 11.503 ( -2.269 0.511 0.000) 2.326 11.503 ( 2.269 0.511 0.000) 2.326 11.660 ( -2.201 -2.828 0.000) 3.583 11.660 ( 2.201 -2.828 0.000) 3.583 12.941 ( -6.410 6.824 0.000) 9.362 12.941 ( 6.410 6.824 0.000) 9.362 14.128 ( -4.284 -14.190 0.000) 14.822 14.128 ( 4.284 -14.190 0.000) 14.822 19.948 ( -1.642 15.595 0.000) 15.681 19.948 ( 1.642 15.595 0.000) 15.681 20.376 ( -4.150 1.249 0.000) 4.334 20.376 ( 4.150 1.249 0.000) 4.334 20.748 ( -2.796 -0.921 0.000) 2.944 20.748 ( 2.796 -0.921 0.000) 2.944 21.098 ( -23.067 -1.140 0.000) 23.095 21.098 ( 23.067 -1.140 0.000) 23.095 22.786 ( -2.881 2.959 0.000) 4.130 22.786 ( 2.881 2.959 0.000) 4.130 23.476 ( -5.166 -6.902 0.000) 8.621 23.476 ( 5.166 -6.902 0.000) 8.621 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 0.836 ( 0.000 21.721 0.000) 21.721 1.558 ( 0.000 37.690 0.000) 37.690 1.609 ( 0.000 -2.228 0.000) 2.228 2.270 ( 0.000 20.898 0.000) 20.898 2.839 ( 0.000 -13.144 0.000) 13.144 3.033 ( 0.000 4.178 0.000) 4.178 3.175 ( 0.000 1.525 0.000) 1.525 3.197 ( 0.000 13.671 0.000) 13.671 3.290 ( 0.000 -14.570 0.000) 14.570 3.349 ( 0.000 -6.153 0.000) 6.153 3.459 ( 0.000 0.442 0.000) 0.442 3.924 ( 0.000 -15.675 0.000) 15.675 4.338 ( 0.000 15.031 0.000) 15.031 4.627 ( 0.000 18.943 0.000) 18.943 4.958 ( 0.000 -8.720 0.000) 8.720 5.179 ( 0.000 13.108 0.000) 13.108 5.295 ( 0.000 17.364 0.000) 17.364 5.553 ( 0.000 -6.904 0.000) 6.904 5.722 ( 0.000 -24.321 0.000) 24.321 5.776 ( 0.000 18.829 0.000) 18.829 6.001 ( 0.000 -17.759 0.000) 17.759 6.090 ( 0.000 3.141 0.000) 3.141 6.428 ( 0.000 -13.580 0.000) 13.580 6.450 ( 0.000 -14.726 0.000) 14.726 6.586 ( 0.000 12.309 0.000) 12.309 6.643 ( 0.000 -6.418 0.000) 6.418 6.687 ( 0.000 -6.007 0.000) 6.007 7.016 ( 0.000 -6.588 0.000) 6.588 7.836 ( 0.000 1.096 0.000) 1.096 7.917 ( 0.000 -3.207 0.000) 3.207 8.041 ( 0.000 13.905 0.000) 13.905 8.460 ( 0.000 -7.450 0.000) 7.450 8.752 ( 0.000 11.115 0.000) 11.115 8.901 ( 0.000 17.583 0.000) 17.583 9.112 ( 0.000 -6.360 0.000) 6.360 9.692 ( 0.000 -17.140 0.000) 17.140 10.281 ( 0.000 10.409 0.000) 10.409 10.525 ( 0.000 1.230 0.000) 1.230 10.591 ( 0.000 -1.410 0.000) 1.410 10.714 ( 0.000 -9.418 0.000) 9.418 11.443 ( 0.000 1.258 0.000) 1.258 11.468 ( 0.000 -0.061 0.000) 0.061 11.859 ( 0.000 9.218 0.000) 9.218 12.217 ( 0.000 -7.405 0.000) 7.405 12.582 ( 0.000 1.264 0.000) 1.264 12.633 ( 0.000 -1.211 0.000) 1.211 13.417 ( 0.000 4.515 0.000) 4.515 13.620 ( 0.000 -4.647 0.000) 4.647 19.930 ( 0.000 2.583 0.000) 2.583 19.991 ( 0.000 -0.292 0.000) 0.292 20.302 ( 0.000 6.375 0.000) 6.375 20.574 ( 0.000 -5.975 0.000) 5.975 20.648 ( 0.000 2.454 0.000) 2.454 20.758 ( 0.000 -2.551 0.000) 2.551 22.378 ( 0.000 3.088 0.000) 3.088 22.512 ( 0.000 -2.970 0.000) 2.970 22.874 ( 0.000 1.851 0.000) 1.851 22.959 ( 0.000 -1.962 0.000) 1.962 22.962 ( 0.000 3.287 0.000) 3.287 23.141 ( 0.000 -4.753 0.000) 4.753 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 28.605 13.533 0.000) 31.645 1.644 ( 8.366 35.220 0.000) 36.200 1.697 ( 9.064 1.594 0.000) 9.203 2.371 ( 10.159 21.760 0.000) 24.014 2.887 ( 4.311 -15.507 0.000) 16.095 3.028 ( -0.443 5.404 0.000) 5.422 3.160 ( -4.226 15.955 0.000) 16.505 3.199 ( -8.403 8.425 0.000) 11.900 3.244 ( 3.709 -5.238 0.000) 6.418 3.378 ( 9.234 -17.151 0.000) 19.479 3.541 ( 5.260 -5.093 0.000) 7.322 3.904 ( -1.873 -16.902 0.000) 17.005 4.315 ( -1.881 15.686 0.000) 15.798 4.677 ( 4.290 16.774 0.000) 17.314 4.867 ( -6.453 1.640 0.000) 6.658 5.140 ( -3.348 12.532 0.000) 12.972 5.389 ( 5.600 4.810 0.000) 7.382 5.541 ( -0.899 -2.514 0.000) 2.670 5.709 ( 0.003 -15.239 0.000) 15.239 5.862 ( 6.623 7.109 0.000) 9.716 5.992 ( -1.248 -17.903 0.000) 17.947 6.094 ( 0.783 2.315 0.000) 2.444 6.340 ( -8.736 -11.422 0.000) 14.380 6.398 ( -4.774 -13.637 0.000) 14.449 6.576 ( -1.362 10.620 0.000) 10.707 6.584 ( -4.329 -4.838 0.000) 6.492 6.734 ( 2.954 -9.148 0.000) 9.613 6.999 ( -1.786 -6.726 0.000) 6.959 7.641 ( -11.898 9.346 0.000) 15.129 7.958 ( 0.303 -7.439 0.000) 7.445 7.963 ( -7.131 13.473 0.000) 15.244 8.383 ( -6.923 -7.226 0.000) 10.007 8.934 ( 14.824 7.756 0.000) 16.730 8.971 ( 6.032 16.405 0.000) 17.479 9.131 ( 1.962 -0.087 0.000) 1.964 9.695 ( 0.234 -15.472 0.000) 15.474 10.272 ( -0.911 10.578 0.000) 10.618 10.481 ( -4.093 2.309 0.000) 4.699 10.590 ( -0.127 -2.658 0.000) 2.661 10.709 ( -0.477 -9.451 0.000) 9.463 11.441 ( 0.085 1.294 0.000) 1.297 11.485 ( 1.436 -0.650 0.000) 1.576 11.798 ( -5.443 6.584 0.000) 8.542 11.948 ( -14.503 0.913 0.000) 14.532 12.660 ( 7.308 4.570 0.000) 8.619 13.032 ( 25.609 -17.077 0.000) 30.781 13.387 ( -2.665 5.913 0.000) 6.486 13.655 ( 3.040 -6.234 0.000) 6.935 19.975 ( 3.455 2.494 0.000) 4.261 20.033 ( 5.051 -0.164 0.000) 5.053 20.319 ( 1.832 6.427 0.000) 6.683 20.584 ( 1.037 -5.608 0.000) 5.703 20.628 ( -1.984 2.446 0.000) 3.149 20.735 ( -2.544 -2.142 0.000) 3.326 21.987 ( -38.152 17.450 0.000) 41.954 22.247 ( -15.429 -0.672 0.000) 15.443 22.751 ( 2.018 10.142 0.000) 10.341 22.957 ( -0.504 3.555 0.000) 3.591 23.153 ( 1.168 -5.225 0.000) 5.354 23.271 ( 10.173 -15.029 0.000) 18.148 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 18.948 13.523 0.000) 23.279 1.865 ( 13.390 29.650 0.000) 32.534 1.991 ( 20.657 -1.193 0.000) 20.692 2.663 ( 18.524 23.359 0.000) 29.812 2.916 ( -10.756 5.048 0.000) 11.881 2.951 ( -2.866 -5.079 0.000) 5.832 3.043 ( -6.506 16.984 0.000) 18.187 3.104 ( 4.732 -4.961 0.000) 6.856 3.388 ( 9.050 2.642 0.000) 9.428 3.615 ( 12.194 -15.381 0.000) 19.628 3.659 ( 6.938 -6.966 0.000) 9.832 3.861 ( -1.792 -20.090 0.000) 20.169 4.295 ( 1.050 13.893 0.000) 13.933 4.732 ( -0.977 15.328 0.000) 15.359 4.748 ( -5.225 6.767 0.000) 8.550 5.094 ( 0.210 9.345 0.000) 9.347 5.436 ( -1.057 -2.125 0.000) 2.373 5.528 ( -0.463 0.726 0.000) 0.861 5.723 ( 1.147 -15.880 0.000) 15.922 5.940 ( -3.845 -15.070 0.000) 15.553 6.006 ( 7.573 6.359 0.000) 9.889 6.098 ( -15.237 -6.513 0.000) 16.571 6.124 ( 1.137 -1.308 0.000) 1.733 6.286 ( -5.614 -10.543 0.000) 11.944 6.486 ( -5.346 -5.564 0.000) 7.716 6.527 ( -3.546 8.298 0.000) 9.024 6.789 ( 2.552 -10.808 0.000) 11.106 6.950 ( -2.825 -6.796 0.000) 7.360 7.472 ( -4.718 12.984 0.000) 13.814 7.796 ( -9.024 12.357 0.000) 15.301 7.942 ( -1.345 -9.813 0.000) 9.905 8.224 ( -8.534 -8.045 0.000) 11.728 9.100 ( 6.410 15.259 0.000) 16.551 9.180 ( 3.899 10.196 0.000) 10.916 9.236 ( 13.576 3.847 0.000) 14.111 9.696 ( -0.301 -11.631 0.000) 11.634 10.246 ( -1.559 10.941 0.000) 11.051 10.381 ( -5.656 4.586 0.000) 7.281 10.590 ( 0.199 -5.434 0.000) 5.438 10.693 ( -1.149 -9.461 0.000) 9.530 11.451 ( 0.866 1.189 0.000) 1.471 11.518 ( 1.847 -1.826 0.000) 2.597 11.679 ( -5.904 3.297 0.000) 6.762 11.746 ( -6.696 -0.067 0.000) 6.696 12.828 ( 8.977 9.160 0.000) 12.825 13.324 ( -3.702 8.572 0.000) 9.337 13.460 ( 16.899 -24.456 0.000) 29.727 13.721 ( 3.399 -9.656 0.000) 10.237 20.044 ( 3.909 5.138 0.000) 6.456 20.185 ( 8.666 -1.680 0.000) 8.828 20.393 ( 6.857 5.652 0.000) 8.886 20.573 ( -3.521 2.357 0.000) 4.237 20.619 ( 2.605 -4.413 0.000) 5.124 20.648 ( -6.648 1.366 0.000) 6.786 21.302 ( -27.710 27.534 0.000) 39.064 21.893 ( -20.307 -5.100 0.000) 20.937 22.802 ( 2.523 9.755 0.000) 10.076 22.942 ( -0.999 4.327 0.000) 4.441 23.185 ( 2.112 -6.552 0.000) 6.884 23.364 ( 0.825 -15.650 0.000) 15.672 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 13.478 17.326 0.000) 21.951 2.139 ( 13.164 23.070 0.000) 26.562 2.379 ( 16.662 -5.460 0.000) 17.534 2.652 ( -12.975 15.767 0.000) 20.419 2.782 ( -9.055 19.525 0.000) 21.523 2.859 ( -7.235 -5.068 0.000) 8.834 3.180 ( 19.929 17.340 0.000) 26.417 3.250 ( 8.134 -12.052 0.000) 14.540 3.579 ( 9.780 2.575 0.000) 10.114 3.714 ( -0.287 -16.634 0.000) 16.637 3.803 ( 6.567 -5.775 0.000) 8.745 3.867 ( -0.175 -5.943 0.000) 5.946 4.384 ( 4.750 6.543 0.000) 8.085 4.601 ( -10.986 19.786 0.000) 22.631 4.727 ( 7.722 1.814 0.000) 7.932 5.155 ( 4.792 0.746 0.000) 4.849 5.367 ( -5.155 -4.187 0.000) 6.641 5.472 ( -10.088 -10.383 0.000) 14.476 5.740 ( -0.029 -8.439 0.000) 8.440 5.827 ( -5.563 -0.220 0.000) 5.567 5.859 ( -3.928 -12.123 0.000) 12.744 6.051 ( -8.213 -3.151 0.000) 8.796 6.155 ( 7.057 11.261 0.000) 13.289 6.247 ( 1.094 1.529 0.000) 1.880 6.392 ( -3.669 -9.233 0.000) 9.935 6.445 ( -4.565 1.349 0.000) 4.760 6.833 ( 1.929 -10.727 0.000) 10.899 6.900 ( -2.075 -7.855 0.000) 8.125 7.444 ( 1.295 11.785 0.000) 11.856 7.631 ( -7.514 11.196 0.000) 13.484 7.927 ( 0.248 -10.305 0.000) 10.308 8.068 ( -6.881 -9.149 0.000) 11.448 9.207 ( 4.237 14.682 0.000) 15.282 9.241 ( 2.282 14.146 0.000) 14.329 9.472 ( 9.767 1.284 0.000) 9.851 9.678 ( -1.730 -7.198 0.000) 7.403 10.217 ( -1.152 10.966 0.000) 11.026 10.276 ( -4.567 7.208 0.000) 8.533 10.602 ( 1.060 -7.757 0.000) 7.829 10.665 ( -1.708 -9.337 0.000) 9.492 11.476 ( 1.677 0.987 0.000) 1.946 11.555 ( 1.964 -2.826 0.000) 3.441 11.581 ( -3.989 1.527 0.000) 4.272 11.651 ( -3.491 -2.246 0.000) 4.151 12.996 ( 7.896 11.799 0.000) 14.198 13.241 ( -4.724 10.956 0.000) 11.932 13.697 ( 7.670 -22.939 0.000) 24.187 13.776 ( 1.896 -13.862 0.000) 13.991 20.137 ( 5.674 9.669 0.000) 11.211 20.317 ( 5.038 0.324 0.000) 5.049 20.470 ( -10.617 11.114 0.000) 15.371 20.494 ( -4.321 2.190 0.000) 4.844 20.607 ( 11.738 0.115 0.000) 11.738 20.709 ( 9.154 -2.273 0.000) 9.432 20.925 ( -11.992 14.111 0.000) 18.519 21.469 ( -22.213 -6.750 0.000) 23.216 22.847 ( 2.088 8.604 0.000) 8.854 22.918 ( -1.450 5.528 0.000) 5.715 23.234 ( 2.740 -8.523 0.000) 8.952 23.344 ( -2.260 -13.451 0.000) 13.639 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -7.990 16.294 0.000) 18.147 2.231 ( 7.990 16.294 0.000) 18.147 2.549 ( -4.883 17.257 0.000) 17.934 2.549 ( 4.883 17.257 0.000) 17.934 2.683 ( -8.803 -0.363 0.000) 8.810 2.683 ( 8.803 -0.363 0.000) 8.810 3.373 ( -2.050 -5.630 0.000) 5.991 3.373 ( 2.050 -5.630 0.000) 5.991 3.735 ( -3.413 -4.144 0.000) 5.368 3.735 ( 3.413 -4.144 0.000) 5.368 3.843 ( -2.070 -0.229 0.000) 2.083 3.843 ( 2.070 -0.229 0.000) 2.083 4.419 ( -4.003 16.844 0.000) 17.313 4.419 ( 4.003 16.844 0.000) 17.313 5.088 ( -23.615 -10.999 0.000) 26.051 5.088 ( 23.615 -10.999 0.000) 26.051 5.258 ( -5.555 -4.032 0.000) 6.864 5.258 ( 5.555 -4.032 0.000) 6.864 5.787 ( -3.663 -5.878 0.000) 6.926 5.787 ( 3.663 -5.878 0.000) 6.926 5.880 ( -7.491 -2.243 0.000) 7.819 5.880 ( 7.491 -2.243 0.000) 7.819 6.256 ( -1.850 17.499 0.000) 17.596 6.256 ( 1.850 17.499 0.000) 17.596 6.366 ( -2.034 -14.272 0.000) 14.416 6.366 ( 2.034 -14.272 0.000) 14.416 6.866 ( -1.539 -9.569 0.000) 9.692 6.866 ( 1.539 -9.569 0.000) 9.692 7.507 ( -4.904 10.837 0.000) 11.895 7.507 ( 4.904 10.837 0.000) 11.895 7.963 ( -3.613 -9.938 0.000) 10.574 7.963 ( 3.613 -9.938 0.000) 10.574 9.258 ( -0.816 14.670 0.000) 14.693 9.258 ( 0.816 14.670 0.000) 14.693 9.616 ( -4.941 -2.674 0.000) 5.618 9.616 ( 4.941 -2.674 0.000) 5.618 10.216 ( -1.371 9.710 0.000) 9.806 10.216 ( 1.371 9.710 0.000) 9.806 10.630 ( -1.712 -8.917 0.000) 9.080 10.630 ( 1.712 -8.917 0.000) 9.080 11.517 ( -2.615 0.963 0.000) 2.787 11.517 ( 2.615 0.963 0.000) 2.787 11.596 ( -2.283 -3.113 0.000) 3.860 11.596 ( 2.283 -3.113 0.000) 3.860 13.135 ( -6.192 12.245 0.000) 13.722 13.135 ( 6.192 12.245 0.000) 13.722 13.783 ( -1.570 -18.530 0.000) 18.596 13.783 ( 1.570 -18.530 0.000) 18.596 20.275 ( -8.540 13.528 0.000) 15.998 20.275 ( 8.540 13.528 0.000) 15.998 20.408 ( -4.445 1.619 0.000) 4.731 20.408 ( 4.445 1.619 0.000) 4.731 20.756 ( -6.550 3.050 0.000) 7.226 20.756 ( 6.550 3.050 0.000) 7.226 21.040 ( -20.796 -4.999 0.000) 21.388 21.040 ( 20.796 -4.999 0.000) 21.388 22.885 ( -1.800 7.036 0.000) 7.263 22.885 ( 1.800 7.036 0.000) 7.263 23.291 ( -2.946 -10.904 0.000) 11.295 23.291 ( 2.946 -10.904 0.000) 11.295 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 1.277 ( 0.000 -21.646 0.000) 21.646 1.277 ( 0.000 21.646 0.000) 21.646 2.289 ( 0.000 -34.305 0.000) 34.305 2.289 ( 0.000 34.305 0.000) 34.305 2.845 ( 0.000 -27.199 0.000) 27.199 2.845 ( 0.000 27.199 0.000) 27.199 3.124 ( 0.000 -4.413 0.000) 4.413 3.124 ( 0.000 4.413 0.000) 4.413 3.421 ( 0.000 -4.663 0.000) 4.663 3.421 ( 0.000 4.663 0.000) 4.663 3.556 ( 0.000 -18.821 0.000) 18.821 3.556 ( 0.000 18.821 0.000) 18.821 4.687 ( 0.000 -17.177 0.000) 17.177 4.687 ( 0.000 17.177 0.000) 17.177 5.116 ( 0.000 -27.798 0.000) 27.798 5.116 ( 0.000 27.798 0.000) 27.798 5.437 ( 0.000 -11.380 0.000) 11.380 5.437 ( 0.000 11.380 0.000) 11.380 5.653 ( 0.000 -17.434 0.000) 17.434 5.653 ( 0.000 17.434 0.000) 17.434 6.129 ( 0.000 -16.125 0.000) 16.125 6.129 ( 0.000 16.125 0.000) 16.125 6.199 ( 0.000 -8.841 0.000) 8.841 6.199 ( 0.000 8.841 0.000) 8.841 6.594 ( 0.000 -1.803 0.000) 1.803 6.594 ( 0.000 1.803 0.000) 1.803 6.832 ( 0.000 -11.302 0.000) 11.302 6.832 ( 0.000 11.302 0.000) 11.302 7.866 ( 0.000 -1.970 0.000) 1.970 7.866 ( 0.000 1.970 0.000) 1.970 8.282 ( 0.000 -10.288 0.000) 10.288 8.282 ( 0.000 10.288 0.000) 10.288 8.957 ( 0.000 -9.037 0.000) 9.037 8.957 ( 0.000 9.037 0.000) 9.037 9.300 ( 0.000 -20.847 0.000) 20.847 9.300 ( 0.000 20.847 0.000) 20.847 10.503 ( 0.000 -11.180 0.000) 11.180 10.503 ( 0.000 11.180 0.000) 11.180 10.557 ( 0.000 -1.818 0.000) 1.818 10.557 ( 0.000 1.818 0.000) 1.818 11.462 ( 0.000 -0.589 0.000) 0.589 11.462 ( 0.000 0.589 0.000) 0.589 12.048 ( 0.000 -9.171 0.000) 9.171 12.048 ( 0.000 9.171 0.000) 9.171 12.608 ( 0.000 -1.283 0.000) 1.283 12.608 ( 0.000 1.283 0.000) 1.283 13.518 ( 0.000 -5.271 0.000) 5.271 13.518 ( 0.000 5.271 0.000) 5.271 19.973 ( 0.000 -1.549 0.000) 1.549 19.973 ( 0.000 1.549 0.000) 1.549 20.440 ( 0.000 -7.068 0.000) 7.068 20.440 ( 0.000 7.068 0.000) 7.068 20.703 ( 0.000 -2.880 0.000) 2.880 20.703 ( 0.000 2.880 0.000) 2.880 22.446 ( 0.000 -3.488 0.000) 3.488 22.446 ( 0.000 3.488 0.000) 3.488 22.916 ( 0.000 -2.203 0.000) 2.203 22.916 ( 0.000 2.203 0.000) 2.203 23.043 ( 0.000 -4.688 0.000) 4.688 23.043 ( 0.000 4.688 0.000) 4.688 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 18.623 -14.994 0.000) 23.909 1.487 ( 18.623 14.994 0.000) 23.909 2.339 ( 4.941 -33.055 0.000) 33.422 2.339 ( 4.941 33.055 0.000) 33.422 2.935 ( 9.122 -26.953 0.000) 28.455 2.935 ( 9.122 26.953 0.000) 28.455 3.123 ( -0.990 -4.498 0.000) 4.606 3.123 ( -0.990 4.498 0.000) 4.606 3.431 ( 1.910 -8.126 0.000) 8.348 3.431 ( 1.910 8.126 0.000) 8.348 3.521 ( -3.338 -19.375 0.000) 19.661 3.521 ( -3.338 19.375 0.000) 19.661 4.671 ( -1.590 -17.107 0.000) 17.181 4.671 ( -1.590 17.107 0.000) 17.181 5.112 ( -0.396 -22.850 0.000) 22.853 5.112 ( -0.396 22.850 0.000) 22.853 5.457 ( 1.722 -7.874 0.000) 8.060 5.457 ( 1.722 7.874 0.000) 8.060 5.641 ( -1.373 -16.662 0.000) 16.719 5.641 ( -1.373 16.662 0.000) 16.719 6.115 ( -1.683 -11.661 0.000) 11.782 6.115 ( -1.683 11.661 0.000) 11.782 6.178 ( -1.778 -7.050 0.000) 7.271 6.178 ( -1.778 7.050 0.000) 7.271 6.575 ( -1.569 -4.788 0.000) 5.039 6.575 ( -1.569 4.788 0.000) 5.039 6.812 ( -2.052 -11.342 0.000) 11.526 6.812 ( -2.052 11.342 0.000) 11.526 7.809 ( -4.693 -7.627 0.000) 8.955 7.809 ( -4.693 7.627 0.000) 8.955 8.204 ( -7.229 -10.440 0.000) 12.699 8.204 ( -7.229 10.440 0.000) 12.699 9.068 ( 9.825 -5.341 0.000) 11.183 9.068 ( 9.825 5.341 0.000) 11.183 9.339 ( 3.533 -19.062 0.000) 19.387 9.339 ( 3.533 19.062 0.000) 19.387 10.497 ( -0.640 -11.308 0.000) 11.326 10.497 ( -0.640 11.308 0.000) 11.326 10.535 ( -2.191 -2.840 0.000) 3.587 10.535 ( -2.191 2.840 0.000) 3.587 11.467 ( 0.482 -1.126 0.000) 1.225 11.467 ( 0.482 1.126 0.000) 1.225 11.911 ( -10.151 -4.173 0.000) 10.975 11.911 ( -10.151 4.173 0.000) 10.975 12.787 ( 14.242 -8.532 0.000) 16.602 12.787 ( 14.242 8.532 0.000) 16.602 13.519 ( 0.071 -6.931 0.000) 6.932 13.519 ( 0.071 6.931 0.000) 6.932 20.017 ( 4.281 -1.511 0.000) 4.540 20.017 ( 4.281 1.511 0.000) 4.540 20.456 ( 1.672 -6.893 0.000) 7.093 20.456 ( 1.672 6.893 0.000) 7.093 20.682 ( -2.061 -2.823 0.000) 3.495 20.682 ( -2.061 2.823 0.000) 3.495 22.189 ( -21.696 -5.423 0.000) 22.363 22.189 ( -21.696 5.423 0.000) 22.363 22.992 ( 4.633 -13.031 0.000) 13.830 22.992 ( 4.633 13.031 0.000) 13.830 23.045 ( 0.219 -5.126 0.000) 5.130 23.045 ( 0.219 5.126 0.000) 5.130 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 20.250 -7.395 0.000) 21.558 1.891 ( 20.250 7.395 0.000) 21.558 2.469 ( 7.672 -29.154 0.000) 30.147 2.469 ( 7.672 29.154 0.000) 30.147 3.055 ( -5.651 -1.921 0.000) 5.969 3.055 ( -5.651 1.921 0.000) 5.969 3.181 ( 12.977 -23.255 0.000) 26.631 3.181 ( 12.977 23.255 0.000) 26.631 3.450 ( -1.403 -19.047 0.000) 19.098 3.450 ( -1.403 19.047 0.000) 19.098 3.526 ( 7.589 -7.986 0.000) 11.017 3.526 ( 7.589 7.986 0.000) 11.017 4.626 ( -2.792 -16.043 0.000) 16.284 4.626 ( -2.792 16.043 0.000) 16.284 5.097 ( -1.581 -15.458 0.000) 15.539 5.097 ( -1.581 15.458 0.000) 15.539 5.480 ( -0.216 -1.113 0.000) 1.133 5.480 ( -0.216 1.113 0.000) 1.133 5.594 ( -3.419 -16.150 0.000) 16.508 5.594 ( -3.419 16.150 0.000) 16.508 6.062 ( -3.142 -1.757 0.000) 3.600 6.062 ( -3.142 1.757 0.000) 3.600 6.145 ( -1.440 -3.638 0.000) 3.913 6.145 ( -1.440 3.638 0.000) 3.913 6.551 ( -0.454 -11.004 0.000) 11.014 6.551 ( -0.454 11.004 0.000) 11.014 6.754 ( -3.640 -11.839 0.000) 12.386 6.754 ( -3.640 11.839 0.000) 12.386 7.724 ( -3.243 -11.770 0.000) 12.208 7.724 ( -3.243 11.770 0.000) 12.208 8.033 ( -9.341 -10.827 0.000) 14.300 8.033 ( -9.341 10.827 0.000) 14.300 9.278 ( 10.202 -0.518 0.000) 10.215 9.278 ( 10.202 0.518 0.000) 10.215 9.418 ( 3.980 -15.534 0.000) 16.036 9.418 ( 3.980 15.534 0.000) 16.036 10.478 ( -1.266 -11.571 0.000) 11.640 10.478 ( -1.266 11.571 0.000) 11.640 10.481 ( -2.877 -5.265 0.000) 5.999 10.481 ( -2.877 5.265 0.000) 5.999 11.481 ( 0.975 -1.754 0.000) 2.006 11.481 ( 0.975 1.754 0.000) 2.006 11.730 ( -7.656 -1.665 0.000) 7.835 11.730 ( -7.656 1.665 0.000) 7.835 13.069 ( 13.245 -15.185 0.000) 20.150 13.069 ( 13.245 15.185 0.000) 20.150 13.517 ( -0.486 -10.273 0.000) 10.285 13.517 ( -0.486 10.273 0.000) 10.285 20.133 ( 7.204 -3.531 0.000) 8.023 20.133 ( 7.204 3.531 0.000) 8.023 20.513 ( 4.437 -5.885 0.000) 7.371 20.513 ( 4.437 5.885 0.000) 7.371 20.623 ( -3.920 -2.403 0.000) 4.598 20.623 ( -3.920 2.403 0.000) 4.598 21.713 ( -24.815 -13.702 0.000) 28.346 21.713 ( -24.815 13.702 0.000) 28.346 23.051 ( 0.362 -6.378 0.000) 6.389 23.051 ( 0.362 6.378 0.000) 6.389 23.054 ( 1.711 -14.639 0.000) 14.739 23.054 ( 1.711 14.639 0.000) 14.739 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 15.368 -8.548 0.000) 17.586 2.243 ( 15.368 8.548 0.000) 17.586 2.591 ( 2.289 -19.009 0.000) 19.146 2.591 ( 2.289 19.009 0.000) 19.146 2.954 ( -2.046 -12.682 0.000) 12.846 2.954 ( -2.046 12.682 0.000) 12.846 3.200 ( -7.420 -19.587 0.000) 20.945 3.200 ( -7.420 19.587 0.000) 20.945 3.653 ( 15.610 -14.606 0.000) 21.378 3.653 ( 15.610 14.606 0.000) 21.378 3.698 ( 8.773 -6.443 0.000) 10.884 3.698 ( 8.773 6.443 0.000) 10.884 4.595 ( 1.412 -13.100 0.000) 13.175 4.595 ( 1.412 13.100 0.000) 13.175 5.007 ( -9.023 -17.803 0.000) 19.959 5.007 ( -9.023 17.803 0.000) 19.959 5.443 ( -2.248 -11.526 0.000) 11.743 5.443 ( -2.248 11.526 0.000) 11.743 5.515 ( -4.238 -17.061 0.000) 17.579 5.515 ( -4.238 17.061 0.000) 17.579 6.032 ( 0.751 -13.239 0.000) 13.260 6.032 ( 0.751 13.239 0.000) 13.260 6.118 ( -1.594 -7.264 0.000) 7.437 6.118 ( -1.594 7.264 0.000) 7.437 6.563 ( 1.550 -15.380 0.000) 15.458 6.563 ( 1.550 15.380 0.000) 15.458 6.677 ( -3.952 -13.533 0.000) 14.099 6.677 ( -3.952 13.533 0.000) 14.099 7.695 ( 0.427 -12.440 0.000) 12.448 7.695 ( 0.427 12.440 0.000) 12.448 7.862 ( -7.648 -11.223 0.000) 13.581 7.862 ( -7.648 11.223 0.000) 13.581 9.438 ( 5.747 -5.370 0.000) 7.866 9.438 ( 5.747 5.370 0.000) 7.866 9.483 ( 2.398 -12.083 0.000) 12.319 9.483 ( 2.398 12.083 0.000) 12.319 10.435 ( -1.486 -8.409 0.000) 8.540 10.435 ( -1.486 8.409 0.000) 8.540 10.450 ( -1.480 -11.628 0.000) 11.722 10.450 ( -1.480 11.628 0.000) 11.722 11.506 ( 1.570 -2.018 0.000) 2.557 11.506 ( 1.570 2.018 0.000) 2.557 11.613 ( -4.485 -1.636 0.000) 4.775 11.613 ( -4.485 1.636 0.000) 4.775 13.289 ( 9.014 -17.432 0.000) 19.624 13.289 ( 9.014 17.432 0.000) 19.624 13.493 ( -2.106 -13.736 0.000) 13.897 13.493 ( -2.106 13.736 0.000) 13.897 20.282 ( 7.464 -4.364 0.000) 8.646 20.282 ( 7.464 4.364 0.000) 8.646 20.531 ( -5.290 -1.081 0.000) 5.399 20.531 ( -5.290 1.081 0.000) 5.399 20.646 ( 9.474 -3.387 0.000) 10.061 20.646 ( 9.474 3.387 0.000) 10.061 21.256 ( -21.091 -14.707 0.000) 25.712 21.256 ( -21.091 14.707 0.000) 25.712 23.059 ( 0.413 -8.296 0.000) 8.307 23.059 ( 0.413 8.296 0.000) 8.307 23.069 ( 0.157 -13.048 0.000) 13.049 23.069 ( 0.157 13.048 0.000) 13.049 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 2.498 ( -10.224 -9.927 0.000) 14.250 2.498 ( 10.224 -9.927 0.000) 14.250 2.498 ( -10.224 9.927 0.000) 14.250 2.498 ( 10.224 9.927 0.000) 14.250 3.033 ( -8.156 -21.860 0.000) 23.332 3.033 ( 8.156 -21.860 0.000) 23.332 3.033 ( -8.156 21.860 0.000) 23.332 3.033 ( 8.156 21.860 0.000) 23.332 3.812 ( -0.695 -4.988 0.000) 5.036 3.812 ( 0.695 -4.988 0.000) 5.036 3.812 ( -0.695 4.988 0.000) 5.036 3.812 ( 0.695 4.988 0.000) 5.036 4.752 ( -13.862 -17.330 0.000) 22.192 4.752 ( 13.862 -17.330 0.000) 22.192 4.752 ( -13.862 17.330 0.000) 22.192 4.752 ( 13.862 17.330 0.000) 22.192 5.444 ( -2.396 -17.470 0.000) 17.633 5.444 ( 2.396 -17.470 0.000) 17.633 5.444 ( -2.396 17.470 0.000) 17.633 5.444 ( 2.396 17.470 0.000) 17.633 6.074 ( -2.710 -13.044 0.000) 13.322 6.074 ( 2.710 -13.044 0.000) 13.322 6.074 ( -2.710 13.044 0.000) 13.322 6.074 ( 2.710 13.044 0.000) 13.322 6.608 ( -2.952 -15.627 0.000) 15.903 6.608 ( 2.952 -15.627 0.000) 15.903 6.608 ( -2.952 15.627 0.000) 15.903 6.608 ( 2.952 15.627 0.000) 15.903 7.742 ( -4.328 -11.796 0.000) 12.564 7.742 ( 4.328 -11.796 0.000) 12.564 7.742 ( -4.328 11.796 0.000) 12.564 7.742 ( 4.328 11.796 0.000) 12.564 9.501 ( -0.851 -9.000 0.000) 9.040 9.501 ( 0.851 -9.000 0.000) 9.040 9.501 ( -0.851 9.000 0.000) 9.040 9.501 ( 0.851 9.000 0.000) 9.040 10.427 ( -0.560 -10.802 0.000) 10.816 10.427 ( 0.560 -10.802 0.000) 10.816 10.427 ( -0.560 10.802 0.000) 10.816 10.427 ( 0.560 10.802 0.000) 10.816 11.545 ( -2.565 -1.909 0.000) 3.197 11.545 ( 2.565 -1.909 0.000) 3.197 11.545 ( -2.565 1.909 0.000) 3.197 11.545 ( 2.565 1.909 0.000) 3.197 13.425 ( -4.986 -16.465 0.000) 17.204 13.425 ( 4.986 -16.465 0.000) 17.204 13.425 ( -4.986 16.465 0.000) 17.204 13.425 ( 4.986 16.465 0.000) 17.204 20.417 ( -6.282 -1.744 0.000) 6.519 20.417 ( -6.282 1.744 0.000) 6.519 20.417 ( 6.282 -1.744 0.000) 6.519 20.417 ( 6.282 1.744 0.000) 6.519 20.893 ( -15.611 -8.926 0.000) 17.983 20.893 ( 15.611 -8.926 0.000) 17.983 20.893 ( -15.611 8.926 0.000) 17.983 20.893 ( 15.611 8.926 0.000) 17.983 23.067 ( -0.331 -10.651 0.000) 10.656 23.067 ( 0.331 -10.651 0.000) 10.656 23.067 ( -0.331 10.651 0.000) 10.656 23.067 ( 0.331 10.651 0.000) 10.656 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 0.592 ( 0.000 0.000 28.124) 28.124 0.828 ( 0.000 0.000 38.968) 38.968 1.183 ( 0.000 0.000 55.791) 55.791 2.453 ( 0.000 0.000 13.268) 13.268 2.655 ( 0.000 0.000 5.399) 5.399 2.925 ( 0.000 0.000 -3.751) 3.751 3.015 ( 0.000 0.000 14.240) 14.240 3.120 ( 0.000 0.000 6.330) 6.330 3.322 ( 0.000 0.000 -8.232) 8.232 3.443 ( 0.000 0.000 -12.641) 12.641 3.777 ( 0.000 0.000 1.070) 1.070 3.970 ( 0.000 0.000 -7.773) 7.773 4.334 ( 0.000 0.000 3.156) 3.156 4.371 ( 0.000 0.000 -10.696) 10.696 4.442 ( 0.000 0.000 0.461) 0.461 4.796 ( 0.000 0.000 -6.104) 6.104 5.092 ( 0.000 0.000 2.592) 2.592 5.104 ( 0.000 0.000 -6.669) 6.669 5.643 ( 0.000 0.000 2.549) 2.549 5.876 ( 0.000 0.000 -7.674) 7.674 6.237 ( 0.000 0.000 -6.103) 6.103 6.499 ( 0.000 0.000 -3.055) 3.055 6.668 ( 0.000 0.000 6.284) 6.284 6.802 ( 0.000 0.000 1.706) 1.706 6.886 ( 0.000 0.000 7.076) 7.076 6.894 ( 0.000 0.000 -7.088) 7.088 7.057 ( 0.000 0.000 -3.209) 3.209 7.110 ( 0.000 0.000 -1.989) 1.989 7.534 ( 0.000 0.000 0.569) 0.569 7.707 ( 0.000 0.000 -3.342) 3.342 8.089 ( 0.000 0.000 2.245) 2.245 8.349 ( 0.000 0.000 -3.238) 3.238 8.529 ( 0.000 0.000 0.354) 0.354 8.544 ( 0.000 0.000 0.001) 0.001 9.174 ( 0.000 0.000 -10.964) 10.964 9.884 ( 0.000 0.000 -19.542) 19.542 10.348 ( 0.000 0.000 -8.988) 8.988 10.431 ( 0.000 0.000 -7.325) 7.325 10.796 ( 0.000 0.000 9.812) 9.812 10.945 ( 0.000 0.000 1.560) 1.560 11.388 ( 0.000 0.000 -0.268) 0.268 11.465 ( 0.000 0.000 0.069) 0.069 11.721 ( 0.000 0.000 7.504) 7.504 11.855 ( 0.000 0.000 10.595) 10.595 12.590 ( 0.000 0.000 4.577) 4.577 12.684 ( 0.000 0.000 2.096) 2.096 13.610 ( 0.000 0.000 -4.347) 4.347 13.667 ( 0.000 0.000 -5.360) 5.360 19.599 ( 0.000 0.000 1.753) 1.753 19.852 ( 0.000 0.000 -0.626) 0.626 20.043 ( 0.000 0.000 5.274) 5.274 20.605 ( 0.000 0.000 1.009) 1.009 20.631 ( 0.000 0.000 -3.450) 3.450 20.981 ( 0.000 0.000 11.997) 11.997 22.226 ( 0.000 0.000 -7.896) 7.896 22.566 ( 0.000 0.000 -1.176) 1.176 22.855 ( 0.000 0.000 1.812) 1.812 22.931 ( 0.000 0.000 3.161) 3.161 23.060 ( 0.000 0.000 -1.159) 1.159 23.501 ( 0.000 0.000 -1.490) 1.490 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 20.354 0.000 20.280) 28.732 0.924 ( 9.139 0.000 33.822) 35.035 1.475 ( 27.153 0.000 41.245) 49.380 2.430 ( -1.087 0.000 10.456) 10.513 2.675 ( -0.188 0.000 8.360) 8.363 2.939 ( 0.245 0.000 2.462) 2.474 3.001 ( -0.479 0.000 7.308) 7.324 3.062 ( -4.221 0.000 0.122) 4.223 3.284 ( -2.204 0.000 -3.528) 4.159 3.615 ( 15.826 0.000 -11.861) 19.777 3.772 ( -0.253 0.000 0.307) 0.397 3.993 ( 2.185 0.000 -7.478) 7.791 4.325 ( -2.086 0.000 -11.589) 11.775 4.411 ( -2.919 0.000 0.428) 2.950 4.476 ( 12.990 0.000 1.565) 13.084 4.734 ( -6.798 0.000 -4.931) 8.398 5.137 ( 3.358 0.000 -6.306) 7.144 5.261 ( 9.525 0.000 -12.489) 15.707 5.637 ( -0.869 0.000 1.903) 2.092 5.843 ( -3.264 0.000 -7.740) 8.400 6.269 ( 2.694 0.000 -5.242) 5.894 6.464 ( -3.206 0.000 0.318) 3.222 6.654 ( -14.613 0.000 -4.273) 15.225 6.657 ( -1.298 0.000 -2.278) 2.622 6.765 ( -8.391 0.000 -3.728) 9.182 6.929 ( 2.670 0.000 3.856) 4.690 7.002 ( -11.440 0.000 0.552) 11.453 7.120 ( 3.092 0.000 4.431) 5.403 7.281 ( -5.761 0.000 8.640) 10.385 7.789 ( -1.457 0.000 7.461) 7.602 8.205 ( -7.419 0.000 -1.401) 7.550 8.275 ( 13.896 0.000 -4.254) 14.532 8.500 ( -4.097 0.000 -0.342) 4.111 8.752 ( 15.068 0.000 -2.679) 15.305 9.016 ( -10.046 0.000 6.307) 11.862 9.857 ( -2.706 0.000 -18.373) 18.571 10.107 ( -11.507 0.000 6.288) 13.113 10.370 ( -6.120 0.000 -6.762) 9.120 10.737 ( 0.217 0.000 6.523) 6.526 10.955 ( -0.541 0.000 3.013) 3.061 11.400 ( 1.047 0.000 -0.248) 1.076 11.474 ( 0.875 0.000 -0.624) 1.075 11.721 ( 0.139 0.000 8.047) 8.049 11.854 ( -0.078 0.000 10.281) 10.281 12.583 ( 2.183 0.000 1.684) 2.757 13.076 ( 9.730 0.000 -12.913) 16.168 13.703 ( 7.534 0.000 -9.817) 12.375 13.858 ( 18.374 0.000 -22.709) 29.211 19.612 ( 1.386 0.000 1.616) 2.129 19.926 ( 5.883 0.000 1.229) 6.010 20.047 ( 1.893 0.000 3.205) 3.722 20.573 ( -3.133 0.000 1.252) 3.374 20.617 ( -1.663 0.000 -2.675) 3.149 20.960 ( -2.302 0.000 12.720) 12.927 21.599 ( -55.195 0.000 52.825) 76.399 22.136 ( -8.981 0.000 -7.612) 11.773 22.605 ( 1.426 0.000 1.401) 1.999 22.902 ( -0.947 0.000 1.311) 1.617 23.257 ( 3.575 0.000 -1.553) 3.898 23.758 ( 6.246 0.000 -7.265) 9.581 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 13.863 0.000 24.954) 28.546 1.282 ( 23.275 0.000 15.401) 27.909 2.116 ( 34.857 0.000 21.864) 41.146 2.452 ( 3.272 0.000 6.542) 7.315 2.537 ( -13.170 0.000 11.666) 17.593 2.823 ( -9.623 0.000 13.109) 16.262 3.028 ( -1.351 0.000 -5.553) 5.715 3.099 ( 8.034 0.000 -4.341) 9.132 3.302 ( 6.154 0.000 1.085) 6.249 3.760 ( -1.203 0.000 -2.562) 2.830 3.982 ( 17.488 0.000 -11.482) 20.920 4.051 ( 3.429 0.000 -6.679) 7.508 4.297 ( -1.447 0.000 -11.523) 11.613 4.350 ( -0.433 0.000 -0.650) 0.781 4.538 ( -12.681 0.000 -2.626) 12.950 4.791 ( 17.655 0.000 -2.288) 17.803 5.234 ( 6.327 0.000 -5.104) 8.129 5.365 ( 2.096 0.000 -15.499) 15.640 5.593 ( -3.788 0.000 -2.116) 4.339 5.750 ( -6.210 0.000 -8.085) 10.195 6.287 ( -21.328 0.000 -9.897) 23.512 6.293 ( -1.243 0.000 -0.458) 1.324 6.387 ( -4.463 0.000 3.317) 5.561 6.560 ( -12.883 0.000 -0.642) 12.899 6.638 ( 1.003 0.000 -13.844) 13.880 6.841 ( -3.906 0.000 8.840) 9.664 6.984 ( 2.904 0.000 6.181) 6.829 7.150 ( 0.156 0.000 9.909) 9.910 7.269 ( 1.896 0.000 7.713) 7.942 7.702 ( -6.300 0.000 10.982) 12.661 8.116 ( -1.760 0.000 -1.824) 2.535 8.398 ( -5.877 0.000 -0.817) 5.934 8.530 ( 11.627 0.000 -1.363) 11.707 8.899 ( -2.264 0.000 9.707) 9.967 9.046 ( 14.327 0.000 -5.260) 15.262 9.781 ( -4.903 0.000 -15.688) 16.437 9.978 ( -3.295 0.000 1.630) 3.676 10.225 ( -8.015 0.000 -4.816) 9.351 10.766 ( 2.025 0.000 3.481) 4.027 10.932 ( -1.580 0.000 3.279) 3.640 11.424 ( 1.353 0.000 -0.182) 1.365 11.492 ( 0.648 0.000 -1.798) 1.911 11.732 ( 1.035 0.000 8.916) 8.976 11.849 ( -0.525 0.000 9.631) 9.645 12.649 ( 4.259 0.000 0.549) 4.294 13.082 ( -4.314 0.000 -4.511) 6.242 13.853 ( 7.656 0.000 -9.052) 11.856 14.135 ( 7.635 0.000 -27.512) 28.552 19.655 ( 2.925 0.000 1.769) 3.418 19.951 ( -2.243 0.000 5.259) 5.717 20.239 ( 16.056 0.000 -1.922) 16.171 20.486 ( -5.214 0.000 5.241) 7.393 20.558 ( -4.120 0.000 1.139) 4.274 20.874 ( -5.658 0.000 19.917) 20.705 21.022 ( -9.788 0.000 21.753) 23.853 21.882 ( -16.491 0.000 -6.821) 17.846 22.648 ( 2.796 0.000 1.299) 3.083 22.875 ( -1.807 0.000 1.391) 2.280 23.334 ( 4.577 0.000 -0.465) 4.601 23.766 ( -3.201 0.000 -1.728) 3.637 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 17.016 0.000 18.086) 24.832 1.739 ( 22.761 0.000 13.465) 26.446 2.197 ( -18.814 0.000 11.678) 22.143 2.498 ( -11.166 0.000 14.030) 17.931 2.586 ( 8.572 0.000 3.946) 9.437 2.863 ( 27.290 0.000 8.540) 28.595 2.938 ( -7.190 0.000 -1.685) 7.385 3.264 ( 7.552 0.000 -4.548) 8.816 3.521 ( 14.180 0.000 -0.304) 14.184 3.724 ( -1.812 0.000 -4.638) 4.979 4.036 ( -8.620 0.000 -2.716) 9.038 4.082 ( -5.412 0.000 -5.482) 7.704 4.224 ( -5.946 0.000 -6.076) 8.502 4.307 ( -5.855 0.000 -3.864) 7.015 4.628 ( 24.798 0.000 -12.143) 27.611 5.125 ( 15.086 0.000 -9.042) 17.589 5.369 ( 5.809 0.000 -5.256) 7.834 5.390 ( 1.142 0.000 -14.111) 14.157 5.502 ( -4.765 0.000 -7.999) 9.311 5.574 ( -14.047 0.000 -11.688) 18.273 5.898 ( -13.137 0.000 -3.761) 13.665 6.250 ( -1.888 0.000 2.627) 3.235 6.262 ( -16.839 0.000 3.712) 17.243 6.297 ( -4.164 0.000 2.899) 5.074 6.700 ( 4.026 0.000 -7.042) 8.112 6.800 ( -1.310 0.000 6.127) 6.265 7.042 ( 2.893 0.000 8.116) 8.616 7.135 ( -1.514 0.000 11.025) 11.128 7.328 ( 4.098 0.000 7.633) 8.664 7.565 ( -7.257 0.000 10.477) 12.745 8.123 ( 2.102 0.000 -2.183) 3.030 8.283 ( -5.505 0.000 -1.413) 5.683 8.727 ( 8.202 0.000 1.629) 8.363 8.882 ( -0.549 0.000 6.539) 6.562 9.304 ( 11.762 0.000 -7.623) 14.016 9.665 ( -6.867 0.000 -12.738) 14.471 9.946 ( -0.170 0.000 -0.766) 0.784 10.075 ( -6.699 0.000 -3.248) 7.445 10.808 ( 2.212 0.000 3.082) 3.793 10.896 ( -2.076 0.000 3.222) 3.833 11.451 ( 1.377 0.000 -0.405) 1.435 11.494 ( -0.455 0.000 -1.775) 1.833 11.762 ( 1.926 0.000 8.990) 9.194 11.832 ( -1.242 0.000 9.060) 9.145 12.745 ( 5.373 0.000 -0.337) 5.384 12.976 ( -5.955 0.000 -2.190) 6.345 14.000 ( 7.029 0.000 -11.007) 13.060 14.188 ( -1.106 0.000 -19.762) 19.793 19.723 ( 3.968 0.000 2.425) 4.651 19.888 ( -3.848 0.000 4.460) 5.890 20.411 ( -1.741 0.000 6.256) 6.494 20.475 ( -3.877 0.000 2.543) 4.637 20.615 ( 21.473 0.000 -3.075) 21.692 20.823 ( 0.166 0.000 12.122) 12.124 20.917 ( -3.663 0.000 10.094) 10.738 21.504 ( -21.424 0.000 -5.674) 22.163 22.710 ( 3.327 0.000 1.454) 3.631 22.832 ( -2.589 0.000 1.508) 2.997 23.436 ( 5.699 0.000 0.156) 5.701 23.673 ( -5.706 0.000 0.142) 5.708 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -19.117 0.000 13.848) 23.606 1.819 ( 19.117 0.000 13.848) 23.606 2.164 ( -19.992 0.000 13.343) 24.036 2.164 ( 19.992 0.000 13.343) 24.036 2.769 ( -9.482 0.000 1.278) 9.567 2.769 ( 9.482 0.000 1.278) 9.567 3.294 ( -9.399 0.000 -1.205) 9.476 3.294 ( 9.399 0.000 -1.205) 9.476 3.795 ( -13.049 0.000 -2.430) 13.273 3.795 ( 13.049 0.000 -2.430) 13.273 3.805 ( -13.798 0.000 -1.140) 13.845 3.805 ( 13.798 0.000 -1.140) 13.845 4.237 ( -3.030 0.000 -5.483) 6.264 4.237 ( 3.030 0.000 -5.483) 6.264 5.145 ( -25.929 0.000 -16.816) 30.905 5.145 ( 25.929 0.000 -16.816) 30.905 5.355 ( -7.237 0.000 -10.322) 12.606 5.355 ( 7.237 0.000 -10.322) 12.606 5.426 ( -2.793 0.000 -12.070) 12.389 5.426 ( 2.793 0.000 -12.070) 12.389 5.941 ( -13.668 0.000 7.028) 15.369 5.941 ( 13.668 0.000 7.028) 15.369 6.242 ( -1.186 0.000 3.366) 3.569 6.242 ( 1.186 0.000 3.366) 3.569 6.766 ( -2.471 0.000 0.772) 2.588 6.766 ( 2.471 0.000 0.772) 2.588 7.095 ( -2.438 0.000 9.894) 10.190 7.095 ( 2.438 0.000 9.894) 10.190 7.430 ( -6.184 0.000 8.652) 10.635 7.430 ( 6.184 0.000 8.652) 10.635 8.187 ( -4.206 0.000 -1.944) 4.634 8.187 ( 4.206 0.000 -1.944) 4.634 8.845 ( -3.735 0.000 3.890) 5.393 8.845 ( 3.735 0.000 3.890) 5.393 9.509 ( -9.096 0.000 -10.050) 13.555 9.509 ( 9.096 0.000 -10.050) 13.555 9.975 ( -3.292 0.000 -1.968) 3.835 9.975 ( 3.292 0.000 -1.968) 3.835 10.853 ( -2.255 0.000 3.153) 3.876 10.853 ( 2.255 0.000 3.153) 3.876 11.477 ( -1.163 0.000 -1.016) 1.544 11.477 ( 1.163 0.000 -1.016) 1.544 11.801 ( -1.881 0.000 8.828) 9.026 11.801 ( 1.881 0.000 8.828) 9.026 12.857 ( -5.951 0.000 -1.157) 6.062 12.857 ( 5.951 0.000 -1.157) 6.062 14.122 ( -5.148 0.000 -14.383) 15.276 14.122 ( 5.148 0.000 -14.383) 15.276 19.806 ( -4.297 0.000 3.398) 5.478 19.806 ( 4.297 0.000 3.398) 5.478 20.416 ( -1.921 0.000 3.735) 4.200 20.416 ( 1.921 0.000 3.735) 4.200 20.854 ( -2.623 0.000 9.043) 9.416 20.854 ( 2.623 0.000 9.043) 9.416 21.060 ( -23.163 0.000 -4.360) 23.570 21.060 ( 23.163 0.000 -4.360) 23.570 22.775 ( -3.179 0.000 1.549) 3.537 22.775 ( 3.179 0.000 1.549) 3.537 23.554 ( -6.187 0.000 0.470) 6.205 23.554 ( 6.187 0.000 0.470) 6.205 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 11.514 22.858) 25.594 0.805 ( 0.000 14.171 22.075) 26.232 1.682 ( 0.000 29.531 38.777) 48.742 2.405 ( 0.000 -5.073 10.386) 11.559 2.790 ( 0.000 11.587 3.805) 12.195 2.946 ( 0.000 1.694 -2.280) 2.840 3.036 ( 0.000 2.580 7.270) 7.714 3.157 ( 0.000 -9.533 -5.319) 10.917 3.273 ( 0.000 -2.699 -3.829) 4.685 3.361 ( 0.000 2.901 -7.183) 7.746 3.901 ( 0.000 -7.911 6.424) 10.191 3.919 ( 0.000 10.165 -0.164) 10.166 4.235 ( 0.000 -8.208 -8.222) 11.618 4.371 ( 0.000 5.921 -0.190) 5.924 4.729 ( 0.000 20.201 -9.863) 22.480 4.910 ( 0.000 10.167 -4.049) 10.943 5.058 ( 0.000 -1.587 0.342) 1.624 5.285 ( 0.000 13.690 -8.775) 16.261 5.630 ( 0.000 -1.126 1.891) 2.201 5.939 ( 0.000 3.484 -8.028) 8.751 6.263 ( 0.000 2.229 -7.903) 8.211 6.355 ( 0.000 -12.448 -0.734) 12.470 6.356 ( 0.000 -22.382 7.353) 23.559 6.738 ( 0.000 -11.836 -0.987) 11.877 6.795 ( 0.000 -3.127 9.338) 9.848 6.804 ( 0.000 -8.304 0.947) 8.358 7.025 ( 0.000 -4.827 11.102) 12.106 7.117 ( 0.000 -0.597 1.212) 1.351 7.692 ( 0.000 0.991 -10.914) 10.959 7.708 ( 0.000 14.374 -2.461) 14.583 8.033 ( 0.000 -3.876 3.453) 5.191 8.448 ( 0.000 7.570 -6.641) 10.070 8.550 ( 0.000 0.001 -1.882) 1.882 8.616 ( 0.000 7.329 -1.297) 7.443 8.999 ( 0.000 -11.331 -11.620) 16.229 9.803 ( 0.000 -8.971 -18.799) 20.830 10.256 ( 0.000 -0.706 5.073) 5.121 10.433 ( 0.000 0.390 -6.949) 6.960 10.629 ( 0.000 -4.800 5.413) 7.234 10.892 ( 0.000 -5.115 2.018) 5.498 11.401 ( 0.000 1.130 -0.471) 1.225 11.482 ( 0.000 -0.211 1.623) 1.637 11.789 ( 0.000 6.357 7.493) 9.826 12.194 ( 0.000 13.362 -4.010) 13.951 12.588 ( 0.000 0.285 4.179) 4.189 12.677 ( 0.000 -0.617 2.232) 2.316 13.467 ( 0.000 -6.952 2.835) 7.508 13.641 ( 0.000 -2.524 -5.160) 5.744 19.867 ( 0.000 11.174 -9.290) 14.531 19.873 ( 0.000 2.011 -0.642) 2.111 20.109 ( 0.000 7.864 3.599) 8.648 20.622 ( 0.000 -0.918 -2.257) 2.437 20.637 ( 0.000 2.494 1.402) 2.861 20.941 ( 0.000 -3.840 10.916) 11.572 22.246 ( 0.000 1.961 -7.764) 8.008 22.545 ( 0.000 -2.289 -1.636) 2.813 22.859 ( 0.000 0.361 1.409) 1.454 22.951 ( 0.000 1.966 3.316) 3.855 23.000 ( 0.000 -4.338 -0.268) 4.346 23.355 ( 0.000 -8.376 5.441) 9.988 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 14.547 15.319 11.328) 23.971 1.125 ( 24.544 9.730 17.213) 31.518 1.791 ( 11.832 22.508 34.639) 42.971 2.413 ( 2.115 -0.152 11.362) 11.558 2.813 ( -0.266 11.900 5.889) 13.280 2.973 ( 2.292 1.954 -2.070) 3.655 3.012 ( -0.718 2.366 5.649) 6.166 3.136 ( -7.085 6.911 5.376) 11.263 3.257 ( 2.996 -11.836 -9.848) 15.686 3.419 ( 7.437 -6.703 -10.764) 14.701 3.858 ( -2.217 2.885 1.552) 3.956 4.016 ( 7.199 0.727 3.250) 7.932 4.204 ( -2.121 -8.076 -8.132) 11.655 4.461 ( 7.391 2.753 -1.448) 8.019 4.609 ( -7.045 15.771 -2.597) 17.468 4.875 ( -3.013 11.421 -2.422) 12.058 5.193 ( 6.637 1.158 -12.274) 14.002 5.323 ( 4.250 9.488 -7.565) 12.857 5.639 ( 0.576 0.457 0.883) 1.149 5.912 ( -2.614 4.138 -7.857) 9.257 6.255 ( -1.744 -4.691 -3.430) 6.067 6.299 ( -1.436 -11.499 1.731) 11.717 6.409 ( 1.814 -15.783 -3.015) 16.171 6.559 ( -13.236 -8.749 -2.409) 16.048 6.708 ( -7.762 -10.134 1.028) 12.806 6.851 ( -0.346 -3.127 9.073) 9.603 7.019 ( -2.882 -5.165 4.520) 7.444 7.129 ( 2.104 -0.061 5.886) 6.251 7.413 ( -10.633 10.856 0.381) 15.201 7.741 ( -2.781 3.727 3.302) 5.703 8.117 ( 0.947 -6.325 0.741) 6.438 8.412 ( -0.067 4.733 -7.201) 8.618 8.609 ( 2.193 9.690 -3.988) 10.705 8.777 ( 15.038 2.758 -3.229) 15.626 8.958 ( -2.638 -4.138 -4.416) 6.602 9.774 ( -2.608 -8.062 -17.129) 19.110 10.167 ( -5.878 6.112 4.883) 9.786 10.378 ( -5.139 1.075 -6.212) 8.133 10.664 ( 2.552 -4.873 3.559) 6.552 10.895 ( -0.133 -5.413 2.662) 6.033 11.415 ( 1.198 1.034 -0.259) 1.604 11.486 ( 0.514 0.253 0.884) 1.054 11.775 ( -1.222 4.977 7.966) 9.472 11.962 ( -10.130 6.889 8.148) 14.713 12.612 ( 3.289 2.674 2.002) 4.687 13.073 ( 14.789 -1.419 -12.785) 19.601 13.538 ( 11.237 -15.198 -4.183) 19.358 13.706 ( 5.800 -4.920 -5.467) 9.366 19.849 ( 0.194 9.237 -7.124) 11.667 19.984 ( 8.927 4.460 -2.405) 10.265 20.098 ( -0.992 7.847 3.177) 8.524 20.599 ( -2.327 0.533 -0.630) 2.469 20.623 ( -1.469 1.669 -0.404) 2.260 20.924 ( -1.749 -3.524 11.297) 11.962 21.810 ( -49.941 15.610 28.349) 59.510 22.159 ( -11.198 2.076 -6.636) 13.181 22.636 ( 1.489 3.615 1.978) 4.382 22.920 ( -0.872 1.756 1.366) 2.389 23.219 ( 3.585 -3.601 -1.660) 5.346 23.588 ( 9.470 -13.526 -1.877) 16.618 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 18.873 12.981 6.927) 23.931 1.569 ( 19.326 16.407 13.327) 28.641 2.155 ( 22.488 2.069 16.776) 28.133 2.536 ( 11.431 10.366 13.362) 20.413 2.662 ( -13.766 10.929 7.346) 19.050 2.926 ( -8.570 9.961 12.833) 18.367 3.006 ( -2.216 -2.366 -4.107) 5.233 3.123 ( 8.162 2.681 -3.323) 9.211 3.352 ( 7.779 1.305 0.145) 7.889 3.643 ( 12.975 -18.252 -15.008) 26.958 3.816 ( -2.202 3.624 -1.560) 4.518 4.123 ( -0.824 -13.414 -9.286) 16.336 4.223 ( 6.651 5.909 2.730) 9.306 4.491 ( -4.092 5.429 -2.398) 7.209 4.530 ( -3.344 7.602 -1.868) 8.512 4.901 ( 8.361 9.095 -0.830) 12.382 5.262 ( 1.557 1.329 -14.229) 14.376 5.421 ( 4.952 5.775 -7.085) 10.395 5.633 ( -1.331 4.172 -4.375) 6.190 5.841 ( -4.523 6.354 -8.849) 11.795 6.184 ( -10.299 -8.771 -1.547) 13.616 6.211 ( -13.746 -8.784 -3.876) 16.767 6.289 ( -1.532 -7.393 0.724) 7.584 6.482 ( 3.517 -12.867 -6.711) 14.932 6.488 ( -12.656 -8.333 -2.031) 15.288 6.794 ( -3.943 -3.458 11.055) 12.236 6.987 ( 0.499 -2.416 4.023) 4.720 7.158 ( 0.117 -0.861 10.301) 10.337 7.331 ( 0.145 6.523 7.043) 9.601 7.663 ( -4.688 1.990 6.847) 8.533 8.088 ( -1.814 -4.894 -1.515) 5.435 8.353 ( -5.483 -2.541 -0.377) 6.055 8.724 ( 7.940 13.785 -5.931) 16.978 8.936 ( 0.720 3.816 2.070) 4.400 9.076 ( 14.260 2.592 -6.401) 15.844 9.713 ( -3.493 -6.028 -14.946) 16.490 10.077 ( -3.376 8.609 1.814) 9.423 10.254 ( -6.911 2.932 -4.520) 8.763 10.712 ( 2.363 -4.813 2.638) 5.976 10.880 ( -1.347 -5.114 3.157) 6.159 11.441 ( 1.397 1.280 0.391) 1.935 11.500 ( 0.707 0.568 -0.686) 1.137 11.751 ( -0.946 1.822 8.948) 9.181 11.842 ( -3.462 -0.488 8.728) 9.402 12.699 ( 5.255 4.748 0.839) 7.132 13.129 ( -3.251 4.522 -4.909) 7.424 13.783 ( 8.314 -8.873 -10.574) 16.115 13.869 ( 10.054 -18.665 -13.288) 25.021 19.865 ( 1.243 10.797 -5.886) 12.360 20.059 ( -2.293 11.795 2.287) 12.231 20.230 ( 14.847 -0.271 -2.105) 14.998 20.536 ( -3.717 2.549 0.855) 4.588 20.571 ( -3.881 2.231 1.494) 4.719 20.871 ( -3.321 -1.503 13.877) 14.348 21.123 ( -18.845 11.985 25.317) 33.760 21.881 ( -17.225 -0.391 -6.307) 18.347 22.683 ( 2.878 3.792 1.428) 4.970 22.895 ( -1.642 2.014 1.426) 2.964 23.291 ( 4.068 -4.184 -0.457) 5.853 23.650 ( -1.288 -10.626 -0.457) 10.714 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 18.454 12.127 6.558) 23.035 1.918 ( 16.088 14.067 12.165) 24.590 2.350 ( -15.857 13.637 7.748) 22.303 2.508 ( 11.700 -3.979 3.871) 12.951 2.634 ( -9.921 10.277 12.352) 18.884 2.919 ( -6.742 -1.969 -0.799) 7.069 2.998 ( 22.590 11.698 10.223) 27.416 3.289 ( 7.654 2.854 -3.066) 8.725 3.559 ( 11.505 1.061 -0.178) 11.555 3.763 ( -2.029 3.812 -2.830) 5.163 3.874 ( 9.172 -15.973 -12.089) 22.032 4.057 ( -4.529 -11.619 -6.229) 13.940 4.216 ( -7.455 7.447 -4.130) 11.318 4.290 ( -14.457 7.499 0.005) 16.286 4.705 ( 20.150 3.148 -3.039) 20.619 5.110 ( 9.765 -0.673 -5.749) 11.351 5.269 ( -0.880 -3.338 -13.572) 14.004 5.525 ( 4.528 7.420 -4.328) 9.710 5.602 ( -2.316 7.825 -12.065) 14.566 5.703 ( -14.636 7.507 -15.381) 22.520 5.813 ( -8.687 -5.621 -2.763) 10.710 6.111 ( -7.343 -9.790 3.955) 12.861 6.216 ( -5.143 -5.095 3.202) 7.916 6.265 ( -7.394 -4.554 2.036) 8.919 6.578 ( 5.325 -10.999 -3.675) 12.761 6.730 ( -2.714 -5.947 8.182) 10.473 7.018 ( 2.345 -3.483 6.228) 7.511 7.132 ( -2.476 -1.861 10.313) 10.768 7.370 ( 3.321 4.684 8.031) 9.873 7.562 ( -5.514 2.319 8.312) 10.240 8.081 ( 1.309 -4.802 -1.162) 5.111 8.237 ( -5.795 -4.107 0.579) 7.126 8.870 ( 6.206 11.905 -2.650) 13.685 8.961 ( 1.076 7.428 1.477) 7.650 9.326 ( 11.048 1.809 -8.477) 14.043 9.632 ( -4.971 -3.232 -12.933) 14.227 10.032 ( -1.072 8.021 0.119) 8.093 10.125 ( -5.718 4.875 -2.756) 8.003 10.758 ( 2.278 -4.868 2.743) 6.034 10.846 ( -2.035 -4.936 3.162) 6.205 11.468 ( 1.337 1.529 0.514) 2.095 11.506 ( -0.227 1.087 -1.024) 1.510 11.745 ( 0.397 -1.508 9.009) 9.143 11.794 ( -1.824 -3.334 8.176) 9.016 12.810 ( 5.881 6.238 -0.275) 8.578 13.038 ( -5.393 6.042 -2.420) 8.452 13.912 ( 5.382 -8.427 -10.051) 14.178 13.997 ( 2.661 -16.593 -14.611) 22.268 19.896 ( 1.924 11.652 -2.766) 12.129 20.002 ( -3.226 12.326 1.953) 12.890 20.421 ( -0.242 0.546 3.289) 3.343 20.481 ( -3.534 0.499 1.683) 3.946 20.628 ( 17.025 1.542 -0.007) 17.094 20.835 ( 0.659 0.885 11.683) 11.735 20.928 ( -5.050 2.092 11.470) 12.706 21.497 ( -21.337 -1.035 -4.985) 21.936 22.743 ( 3.123 3.543 1.521) 4.961 22.855 ( -2.350 2.441 1.536) 3.721 23.381 ( 5.017 -5.323 0.231) 7.318 23.585 ( -4.624 -8.382 0.589) 9.591 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -16.181 10.182 6.395) 20.159 1.927 ( 16.181 10.182 6.395) 20.159 2.332 ( -14.838 14.765 12.930) 24.604 2.332 ( 14.838 14.765 12.930) 24.604 2.750 ( -10.063 -2.162 1.165) 10.359 2.750 ( 10.063 -2.162 1.165) 10.359 3.345 ( -6.200 5.096 1.113) 8.103 3.345 ( 6.200 5.096 1.113) 8.103 3.722 ( -5.389 -1.623 -3.578) 6.669 3.722 ( 5.389 -1.623 -3.578) 6.669 3.999 ( -9.022 -1.917 -1.153) 9.295 3.999 ( 9.022 -1.917 -1.153) 9.295 4.080 ( -7.440 2.221 -5.983) 9.802 4.080 ( 7.440 2.221 -5.983) 9.802 5.158 ( -20.998 -2.549 -7.727) 22.519 5.158 ( 20.998 -2.549 -7.727) 22.519 5.252 ( -7.590 -2.667 -12.441) 14.815 5.252 ( 7.590 -2.667 -12.441) 14.816 5.623 ( -1.643 11.611 -15.154) 19.161 5.623 ( 1.643 11.611 -15.154) 19.161 5.882 ( -11.837 -4.096 5.763) 13.788 5.882 ( 11.837 -4.096 5.763) 13.788 6.187 ( -1.563 -4.932 3.547) 6.273 6.187 ( 1.563 -4.932 3.547) 6.273 6.670 ( -3.766 -8.654 3.152) 9.950 6.670 ( 3.766 -8.654 3.152) 9.950 7.074 ( -3.158 -3.323 8.182) 9.379 7.074 ( 3.158 -3.323 8.182) 9.379 7.454 ( -5.129 3.608 8.378) 10.465 7.454 ( 5.129 3.608 8.378) 10.465 8.137 ( -4.172 -4.789 0.073) 6.352 8.137 ( 4.172 -4.789 0.073) 6.352 8.954 ( -2.194 9.703 -0.325) 9.953 8.954 ( 2.194 9.703 -0.325) 9.953 9.510 ( -7.642 -0.251 -10.720) 13.168 9.510 ( 7.642 -0.251 -10.720) 13.168 10.043 ( -2.390 6.592 -1.159) 7.107 10.043 ( 2.390 6.592 -1.159) 7.107 10.803 ( -2.274 -4.903 3.004) 6.184 10.803 ( 2.274 -4.903 3.004) 6.184 11.492 ( -1.057 1.492 -0.149) 1.835 11.492 ( 1.057 1.492 -0.149) 1.835 11.763 ( -1.293 -3.427 8.349) 9.118 11.763 ( 1.293 -3.427 8.349) 9.118 12.927 ( -5.868 6.656 -1.276) 8.965 12.927 ( 5.868 6.656 -1.276) 8.965 13.993 ( -2.587 -11.868 -12.117) 17.157 13.993 ( 2.587 -11.868 -12.117) 17.157 19.942 ( -2.766 11.960 0.349) 12.281 19.942 ( 2.766 11.960 0.349) 12.281 20.426 ( -1.683 0.825 3.053) 3.582 20.426 ( 1.683 0.825 3.053) 3.582 20.845 ( -3.383 -0.437 9.052) 9.673 20.845 ( 3.383 -0.437 9.052) 9.673 21.066 ( -21.436 0.173 -2.898) 21.631 21.066 ( 21.436 0.173 -2.898) 21.631 22.803 ( -2.904 2.994 1.588) 4.463 22.803 ( 2.904 2.994 1.588) 4.463 23.484 ( -5.371 -6.719 0.662) 8.628 23.484 ( 5.371 -6.719 0.662) 8.628 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 17.490 15.490) 23.364 1.303 ( 0.000 28.610 -5.968) 29.226 1.845 ( 0.000 -11.063 11.694) 16.098 2.628 ( 0.000 26.192 27.138) 37.716 2.670 ( 0.000 -29.068 -17.732) 34.049 3.002 ( 0.000 4.845 -2.788) 5.589 3.009 ( 0.000 5.153 -1.628) 5.404 3.155 ( 0.000 9.870 -0.187) 9.871 3.408 ( 0.000 7.934 8.870) 11.900 3.411 ( 0.000 1.416 -4.941) 5.140 3.658 ( 0.000 -15.550 15.823) 22.185 3.847 ( 0.000 -13.722 -6.138) 15.032 4.355 ( 0.000 16.710 2.114) 16.844 4.630 ( 0.000 19.900 0.540) 19.907 4.973 ( 0.000 -8.105 1.598) 8.261 5.132 ( 0.000 18.827 -9.976) 21.307 5.161 ( 0.000 13.798 -1.274) 13.857 5.565 ( 0.000 10.570 -14.916) 18.282 5.577 ( 0.000 -6.068 2.152) 6.439 5.758 ( 0.000 -23.419 -1.046) 23.443 6.093 ( 0.000 0.700 0.912) 1.150 6.095 ( 0.000 -9.863 3.679) 10.527 6.281 ( 0.000 -2.107 -8.247) 8.512 6.478 ( 0.000 -13.362 1.474) 13.443 6.629 ( 0.000 -6.523 -0.245) 6.527 6.725 ( 0.000 -4.106 8.364) 9.317 6.888 ( 0.000 -4.919 14.213) 15.040 7.065 ( 0.000 -4.772 3.837) 6.124 7.757 ( 0.000 4.529 -9.253) 10.303 7.925 ( 0.000 -1.507 -0.310) 1.539 8.046 ( 0.000 12.455 0.842) 12.483 8.484 ( 0.000 -6.587 1.750) 6.816 8.598 ( 0.000 6.826 -12.928) 14.619 8.825 ( 0.000 -6.159 -19.790) 20.726 8.841 ( 0.000 14.813 -5.602) 15.837 9.543 ( 0.000 -16.101 -15.592) 22.413 10.360 ( 0.000 8.821 4.970) 10.125 10.455 ( 0.000 1.894 -5.647) 5.957 10.564 ( 0.000 -2.801 -0.734) 2.896 10.751 ( 0.000 -8.573 2.940) 9.063 11.427 ( 0.000 1.287 -0.608) 1.423 11.469 ( 0.000 -0.852 0.888) 1.231 11.952 ( 0.000 9.199 7.346) 11.772 12.266 ( 0.000 -3.498 3.503) 4.950 12.612 ( 0.000 1.639 3.096) 3.504 12.661 ( 0.000 -0.943 2.621) 2.785 13.419 ( 0.000 1.307 -0.696) 1.481 13.571 ( 0.000 -4.212 -4.569) 6.214 19.921 ( 0.000 2.386 -0.781) 2.510 19.959 ( 0.000 1.164 -2.801) 3.033 20.309 ( 0.000 9.964 2.521) 10.278 20.586 ( 0.000 -3.037 1.098) 3.230 20.688 ( 0.000 2.526 2.768) 3.748 20.842 ( 0.000 -5.441 7.692) 9.421 22.302 ( 0.000 3.566 -7.217) 8.050 22.476 ( 0.000 -4.277 -3.477) 5.512 22.870 ( 0.000 0.836 0.393) 0.923 22.931 ( 0.000 -2.483 -1.192) 2.754 23.009 ( 0.000 3.840 3.649) 5.298 23.216 ( 0.000 -6.059 4.695) 7.665 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 23.433 16.589 5.763) 29.283 1.401 ( 10.067 23.770 -2.133) 25.901 1.925 ( 7.781 -7.099 10.584) 14.932 2.675 ( 5.545 11.320 12.928) 18.056 2.760 ( 7.592 -15.258 -4.014) 17.509 3.021 ( 0.752 5.146 -0.338) 5.212 3.062 ( 4.167 1.062 -4.496) 6.221 3.116 ( -2.649 12.350 -0.256) 12.634 3.316 ( -5.871 8.799 4.302) 11.419 3.428 ( 1.364 1.572 1.847) 2.783 3.721 ( 4.467 -13.676 11.091) 18.166 3.837 ( -0.686 -14.973 -4.566) 15.669 4.337 ( -1.270 16.485 2.568) 16.732 4.672 ( 3.549 18.079 -0.308) 18.427 4.865 ( -7.245 3.408 0.018) 8.007 5.134 ( -1.556 13.514 -1.118) 13.649 5.232 ( 5.077 6.803 -8.842) 12.257 5.510 ( -1.684 2.550 -6.175) 6.890 5.659 ( 4.083 0.804 -5.634) 7.004 5.758 ( 0.227 -20.564 -3.042) 20.789 6.078 ( -1.132 -4.777 3.060) 5.785 6.112 ( 1.342 -4.890 1.497) 5.288 6.245 ( -3.571 -5.122 -7.834) 10.018 6.376 ( -10.059 -9.842 -2.798) 14.349 6.501 ( -8.446 -5.053 0.497) 9.854 6.800 ( 3.384 -6.586 6.054) 9.565 6.847 ( -3.769 -4.261 12.392) 13.636 7.073 ( 0.556 -5.377 6.748) 8.646 7.624 ( -8.147 9.689 -2.618) 12.927 7.919 ( -2.227 4.086 -2.090) 5.101 8.006 ( -4.212 1.941 1.711) 4.944 8.396 ( -5.987 -5.637 0.073) 8.223 8.783 ( 12.562 5.365 -11.145) 17.629 8.885 ( 7.204 0.532 -16.758) 18.248 8.927 ( 7.129 10.076 -6.295) 13.856 9.547 ( 0.310 -14.095 -14.866) 20.488 10.337 ( -2.169 10.040 4.087) 11.055 10.419 ( -3.255 3.050 -4.860) 6.596 10.574 ( 0.912 -4.164 -0.095) 4.264 10.749 ( -0.318 -8.831 3.100) 9.365 11.437 ( 1.001 1.125 -0.143) 1.513 11.479 ( 0.924 -0.806 0.843) 1.488 11.897 ( -4.770 6.482 7.834) 11.231 12.043 ( -13.323 0.942 7.471) 15.303 12.684 ( 6.481 4.437 2.213) 8.160 12.963 ( 19.928 -8.716 -4.679) 22.248 13.398 ( -1.385 1.035 -0.326) 1.760 13.603 ( 2.704 -5.755 -4.867) 8.007 19.947 ( 2.322 3.202 -2.323) 4.587 20.016 ( 5.932 -0.019 -1.484) 6.115 20.314 ( 0.608 10.335 1.584) 10.473 20.576 ( -1.021 -2.479 0.291) 2.697 20.672 ( -1.472 2.584 2.699) 4.016 20.830 ( -1.119 -5.329 8.273) 9.904 22.050 ( -29.678 7.707 3.291) 30.839 22.192 ( -16.463 0.221 -4.725) 17.129 22.767 ( 1.206 8.999 1.726) 9.242 22.976 ( -0.383 3.811 1.494) 4.111 23.120 ( 3.679 -5.942 -1.596) 7.169 23.317 ( 6.805 -12.416 2.810) 14.435 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 14.164 24.387 -6.287) 28.894 1.821 ( 24.479 9.832 5.308) 26.909 2.131 ( 12.705 -3.157 6.964) 14.828 2.829 ( 6.652 -12.336 -4.409) 14.692 2.883 ( -4.624 10.013 1.948) 11.200 2.922 ( 0.339 12.818 8.033) 15.130 3.114 ( 1.640 -0.084 3.644) 3.997 3.149 ( 1.587 6.492 3.567) 7.576 3.302 ( 8.540 8.046 -1.965) 11.897 3.514 ( 7.852 0.208 -2.453) 8.229 3.752 ( -1.929 -15.832 -2.551) 16.152 3.857 ( 2.464 -9.215 3.726) 10.241 4.341 ( 2.724 10.434 4.035) 11.514 4.683 ( -6.053 13.326 -3.334) 15.011 4.764 ( -0.670 10.542 0.478) 10.574 5.114 ( 0.029 11.313 0.748) 11.338 5.278 ( -0.609 2.287 -9.794) 10.076 5.519 ( 2.739 1.317 -3.897) 4.942 5.678 ( -1.956 -8.575 -4.614) 9.932 5.784 ( 0.966 -10.022 -9.438) 13.800 6.013 ( -11.234 -4.858 -2.168) 12.430 6.088 ( -3.958 -4.382 0.373) 5.917 6.147 ( -5.822 -3.488 -2.251) 7.151 6.224 ( 2.443 -10.460 -5.448) 12.044 6.343 ( -7.224 -0.900 -2.413) 7.669 6.757 ( -5.102 0.004 12.554) 13.551 6.840 ( 1.078 -10.173 3.854) 10.931 7.069 ( -1.372 -7.423 9.601) 12.214 7.522 ( -2.112 11.100 3.961) 11.974 7.825 ( -6.418 11.521 2.046) 13.345 7.941 ( -1.713 -8.642 -0.068) 8.811 8.259 ( -7.522 -7.236 2.447) 10.721 8.989 ( 8.470 11.159 -11.053) 17.844 9.033 ( 6.672 5.098 -10.352) 13.330 9.138 ( 12.542 3.904 -8.401) 15.593 9.549 ( -0.185 -10.170 -13.600) 16.983 10.285 ( -2.812 11.248 2.391) 11.838 10.342 ( -4.249 5.836 -2.870) 7.769 10.595 ( 1.221 -6.465 1.100) 6.671 10.734 ( -1.232 -9.088 3.241) 9.727 11.465 ( 1.823 1.077 0.959) 2.324 11.503 ( 1.388 -0.441 0.887) 1.705 11.795 ( -5.108 2.191 8.472) 10.132 11.836 ( -7.776 -0.118 7.736) 10.970 12.833 ( 8.073 8.597 0.544) 11.805 13.233 ( 3.720 2.628 -7.157) 8.483 13.436 ( 8.148 -13.755 -2.751) 16.222 13.660 ( 2.820 -8.884 -5.740) 10.946 20.008 ( 3.810 5.560 -2.969) 7.365 20.167 ( 7.770 -1.682 -1.193) 8.039 20.347 ( 3.508 9.717 -1.937) 10.511 20.543 ( -2.423 -0.968 -0.977) 2.786 20.637 ( -1.663 3.247 3.131) 4.808 20.806 ( -0.814 -4.465 9.748) 10.753 21.450 ( -26.383 16.835 11.371) 33.298 21.847 ( -19.393 -3.549 -4.436) 20.208 22.813 ( 2.618 9.160 1.201) 9.602 22.961 ( -1.022 4.771 1.701) 5.168 23.177 ( 2.799 -6.783 -0.467) 7.352 23.388 ( 0.582 -14.352 1.713) 14.466 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 15.157 19.417 -3.511) 24.881 2.198 ( 12.341 13.361 3.834) 18.588 2.403 ( 13.947 -5.874 1.641) 15.222 2.657 ( -10.210 13.976 1.783) 17.399 2.821 ( -5.469 -5.115 -2.605) 7.929 2.911 ( -9.510 12.774 8.320) 17.967 3.195 ( 11.353 -7.552 -0.492) 13.644 3.336 ( 10.976 7.354 7.550) 15.217 3.523 ( 11.272 4.515 -3.052) 12.520 3.650 ( 1.825 -10.501 -4.510) 11.573 3.756 ( 6.527 -8.405 -3.754) 11.284 3.858 ( -2.574 2.532 -0.263) 3.621 4.424 ( 1.454 6.899 2.501) 7.481 4.530 ( -7.403 15.691 -4.735) 17.984 4.778 ( 5.165 5.794 2.503) 8.156 5.133 ( 1.487 2.598 -3.210) 4.389 5.228 ( -3.747 0.808 -8.682) 9.491 5.508 ( -14.612 -12.850 -0.338) 19.461 5.636 ( 3.697 -2.891 -8.560) 9.762 5.763 ( -2.322 -6.458 -11.881) 13.720 5.778 ( -3.529 1.412 -3.963) 5.491 5.988 ( -6.016 0.328 -2.225) 6.423 6.119 ( 0.288 -4.557 -3.324) 5.648 6.210 ( -5.707 0.224 -5.679) 8.054 6.349 ( 8.093 -5.385 5.800) 11.320 6.647 ( -6.113 0.477 11.806) 13.304 6.865 ( 2.017 -11.531 3.804) 12.309 7.013 ( -4.086 -9.465 8.303) 13.237 7.527 ( 2.230 10.205 6.874) 12.504 7.701 ( -5.886 10.325 5.597) 13.137 7.939 ( 1.598 -8.744 1.289) 8.982 8.117 ( -6.704 -7.946 3.625) 11.010 9.122 ( 4.926 12.034 -8.109) 15.324 9.141 ( 3.971 9.197 -8.043) 12.847 9.353 ( 8.790 0.217 -10.414) 13.630 9.534 ( -1.507 -6.543 -12.689) 14.356 10.236 ( -1.861 11.180 1.027) 11.380 10.266 ( -3.209 9.130 -0.459) 9.688 10.624 ( 1.682 -8.159 2.063) 8.582 10.702 ( -1.964 -9.140 3.083) 9.844 11.504 ( 1.998 1.815 2.057) 3.394 11.529 ( 1.082 0.902 1.216) 1.861 11.711 ( -3.190 -1.663 8.321) 9.065 11.724 ( -3.907 -2.952 6.540) 8.170 12.986 ( 7.199 11.068 -0.932) 13.235 13.206 ( -3.771 10.196 -3.285) 11.357 13.612 ( 7.069 -18.892 -7.580) 21.548 13.703 ( 1.263 -12.499 -6.829) 14.298 20.095 ( 5.033 8.894 -3.237) 10.720 20.250 ( 0.549 7.204 -2.846) 7.766 20.422 ( 0.748 0.280 -3.824) 3.907 20.487 ( -3.094 -0.225 -0.747) 3.191 20.682 ( 9.232 3.663 5.243) 11.231 20.826 ( 3.755 -2.022 8.912) 9.880 21.061 ( -13.665 10.997 11.284) 20.857 21.444 ( -21.003 -4.715 -2.515) 21.672 22.862 ( 2.264 8.294 1.404) 8.711 22.936 ( -1.499 5.798 1.713) 6.228 23.237 ( 3.262 -8.535 0.376) 9.145 23.363 ( -2.518 -12.850 1.559) 13.187 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -11.432 14.939 -1.531) 18.874 2.192 ( 11.432 14.939 -1.531) 18.874 2.611 ( -2.316 2.881 2.163) 4.283 2.611 ( 2.316 2.881 2.163) 4.283 2.723 ( -3.833 7.931 5.141) 10.199 2.723 ( 3.833 7.931 5.141) 10.199 3.382 ( -6.368 -10.083 0.153) 11.926 3.382 ( 6.368 -10.083 0.153) 11.926 3.679 ( -6.031 2.718 -3.904) 7.681 3.679 ( 6.031 2.718 -3.904) 7.681 3.834 ( -4.050 -1.287 -0.798) 4.324 3.834 ( 4.050 -1.287 -0.798) 4.324 4.408 ( -3.139 18.225 -1.007) 18.520 4.408 ( 3.139 18.225 -1.007) 18.520 5.046 ( -16.601 -10.161 -4.701) 20.023 5.046 ( 16.601 -10.161 -4.701) 20.023 5.210 ( -6.257 1.616 -3.668) 7.431 5.210 ( 6.257 1.616 -3.668) 7.431 5.709 ( -2.894 -9.025 -10.128) 13.871 5.709 ( 2.894 -9.025 -10.128) 13.871 5.854 ( -7.369 4.582 -0.294) 8.683 5.854 ( 7.369 4.582 -0.294) 8.683 6.134 ( -1.804 -0.532 -5.968) 6.258 6.134 ( 1.804 -0.532 -5.968) 6.258 6.511 ( -7.778 -2.441 9.766) 12.721 6.511 ( 7.778 -2.441 9.766) 12.721 6.927 ( -4.122 -11.037 5.392) 12.957 6.927 ( 4.122 -11.037 5.392) 12.957 7.597 ( -4.612 9.814 7.260) 13.050 7.597 ( 4.612 9.814 7.260) 13.050 8.003 ( -4.688 -8.356 3.202) 10.102 8.003 ( 4.688 -8.356 3.202) 10.102 9.177 ( -0.509 11.201 -7.205) 13.329 9.177 ( 0.509 11.201 -7.205) 13.329 9.480 ( -4.318 -3.141 -11.830) 12.979 9.480 ( 4.318 -3.141 -11.830) 12.979 10.224 ( -0.821 10.846 0.634) 10.896 10.224 ( 0.821 10.846 0.634) 10.896 10.661 ( -2.079 -8.952 2.692) 9.576 10.661 ( 2.079 -8.952 2.692) 9.576 11.534 ( -0.749 2.633 2.046) 3.417 11.534 ( 0.749 2.633 2.046) 3.417 11.680 ( -0.384 -4.387 6.957) 8.234 11.680 ( 0.384 -4.387 6.957) 8.234 13.112 ( -5.625 11.537 -2.064) 13.000 13.112 ( 5.625 11.537 -2.064) 13.000 13.699 ( -2.012 -16.126 -7.729) 17.996 13.699 ( 2.012 -16.126 -7.729) 17.996 20.199 ( -4.967 11.605 -4.185) 13.299 20.199 ( 4.967 11.605 -4.185) 13.299 20.432 ( -1.906 -0.856 0.211) 2.100 20.432 ( 1.906 -0.856 0.211) 2.100 20.866 ( -7.592 3.161 9.198) 12.339 20.866 ( 7.592 3.161 9.198) 12.339 21.047 ( -18.322 -2.496 0.501) 18.498 21.047 ( 18.322 -2.496 0.501) 18.498 22.903 ( -1.912 7.029 1.620) 7.462 22.903 ( 1.912 7.029 1.620) 7.462 23.303 ( -3.382 -10.681 1.089) 11.257 23.303 ( 3.382 -10.681 1.089) 11.257 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 1.386 ( 0.000 -17.714 9.473) 20.088 1.386 ( 0.000 17.714 9.473) 20.088 2.050 ( 0.000 -30.703 -13.975) 33.734 2.050 ( 0.000 30.703 -13.975) 33.734 2.988 ( 0.000 -5.989 1.774) 6.246 2.988 ( 0.000 5.989 1.774) 6.246 3.259 ( 0.000 -18.607 15.490) 24.211 3.259 ( 0.000 18.607 15.490) 24.211 3.373 ( 0.000 -5.381 -2.281) 5.845 3.373 ( 0.000 5.381 -2.281) 5.845 3.585 ( 0.000 -10.085 2.303) 10.345 3.585 ( 0.000 10.085 2.303) 10.345 4.712 ( 0.000 -16.945 2.630) 17.148 4.712 ( 0.000 16.945 2.630) 17.148 5.128 ( 0.000 -27.137 1.080) 27.159 5.128 ( 0.000 27.137 1.080) 27.159 5.396 ( 0.000 -4.937 -3.256) 5.914 5.396 ( 0.000 4.937 -3.256) 5.914 5.560 ( 0.000 -5.338 -7.412) 9.134 5.560 ( 0.000 5.338 -7.412) 9.134 6.092 ( 0.000 -5.051 -1.897) 5.396 6.092 ( 0.000 5.051 -1.897) 5.396 6.260 ( 0.000 -5.802 2.158) 6.190 6.260 ( 0.000 5.802 2.158) 6.190 6.602 ( 0.000 -4.274 1.411) 4.501 6.602 ( 0.000 4.274 1.411) 4.501 6.939 ( 0.000 -6.727 8.301) 10.684 6.939 ( 0.000 6.727 8.301) 10.684 7.850 ( 0.000 -4.461 -2.563) 5.144 7.850 ( 0.000 4.461 -2.563) 5.144 8.301 ( 0.000 -11.237 1.588) 11.349 8.301 ( 0.000 11.237 1.588) 11.349 8.718 ( 0.000 -5.246 -18.836) 19.553 8.718 ( 0.000 5.246 -18.836) 19.553 9.186 ( 0.000 -18.472 -11.252) 21.629 9.186 ( 0.000 18.472 -11.252) 21.629 10.505 ( 0.000 -2.758 -2.943) 4.033 10.505 ( 0.000 2.758 -2.943) 4.033 10.559 ( 0.000 -10.060 3.345) 10.601 10.559 ( 0.000 10.060 3.345) 10.601 11.450 ( 0.000 -1.048 -0.163) 1.061 11.450 ( 0.000 1.048 -0.163) 1.061 12.135 ( 0.000 -8.481 6.588) 10.739 12.135 ( 0.000 8.481 6.588) 10.739 12.640 ( 0.000 -1.152 3.038) 3.249 12.640 ( 0.000 1.152 3.038) 3.249 13.482 ( 0.000 -4.295 -3.410) 5.485 13.482 ( 0.000 4.295 -3.410) 5.485 19.958 ( 0.000 -1.071 -1.251) 1.647 19.958 ( 0.000 1.071 -1.251) 1.647 20.485 ( 0.000 -7.158 4.010) 8.204 20.485 ( 0.000 7.158 4.010) 8.204 20.747 ( 0.000 -3.681 4.064) 5.483 20.747 ( 0.000 3.681 4.064) 5.483 22.385 ( 0.000 -4.531 -5.807) 7.366 22.385 ( 0.000 4.531 -5.807) 7.366 22.893 ( 0.000 -1.428 -0.783) 1.629 22.893 ( 0.000 1.428 -0.783) 1.629 23.102 ( 0.000 -5.246 4.037) 6.620 23.102 ( 0.000 5.246 4.037) 6.620 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 16.368 -11.547 7.010) 21.222 1.569 ( 16.368 11.547 7.010) 21.222 2.121 ( 7.125 -29.670 -13.132) 33.220 2.121 ( 7.125 29.670 -13.132) 33.220 3.019 ( 2.374 -4.909 -0.751) 5.504 3.019 ( 2.374 4.909 -0.751) 5.504 3.254 ( 0.099 -14.515 11.058) 18.247 3.254 ( 0.099 14.515 11.058) 18.247 3.403 ( 2.685 -14.494 1.860) 14.858 3.403 ( 2.685 14.494 1.860) 14.858 3.565 ( -1.307 -10.541 3.642) 11.229 3.565 ( -1.307 10.541 3.642) 11.229 4.690 ( -2.264 -16.396 2.014) 16.674 4.690 ( -2.264 16.396 2.014) 16.674 5.128 ( -0.009 -23.644 1.300) 23.680 5.128 ( -0.009 23.644 1.300) 23.680 5.410 ( 1.188 -3.624 -3.921) 5.470 5.410 ( 1.188 3.624 -3.921) 5.470 5.565 ( 0.222 -5.927 -6.066) 8.484 5.565 ( 0.222 5.927 -6.066) 8.484 6.084 ( -0.678 -4.954 -2.151) 5.443 6.084 ( -0.678 4.954 -2.151) 5.443 6.195 ( -6.397 -4.860 -0.302) 8.039 6.195 ( -6.397 4.860 -0.302) 8.039 6.570 ( -2.524 -9.897 0.110) 10.214 6.570 ( -2.524 9.897 0.110) 10.214 6.935 ( -0.730 -7.358 9.637) 12.147 6.935 ( -0.730 7.358 9.637) 12.147 7.803 ( -3.742 -8.138 -1.259) 9.045 7.803 ( -3.742 8.138 -1.259) 9.045 8.221 ( -6.890 -11.100 0.941) 13.098 8.221 ( -6.890 11.100 0.941) 13.098 8.852 ( 11.438 -2.252 -16.577) 20.266 8.852 ( 11.438 2.252 -16.577) 20.266 9.230 ( 3.966 -16.590 -10.934) 20.261 9.230 ( 3.966 16.590 -10.934) 20.261 10.491 ( -1.311 -4.085 -2.535) 4.983 10.491 ( -1.311 4.085 -2.535) 4.983 10.551 ( -0.839 -10.495 3.461) 11.082 10.551 ( -0.839 10.495 3.461) 11.082 11.459 ( 0.908 -1.095 0.196) 1.436 11.459 ( 0.908 1.095 0.196) 1.436 12.009 ( -9.627 -4.044 7.624) 12.930 12.009 ( -9.627 4.044 7.624) 12.930 12.797 ( 12.515 -7.012 0.923) 14.376 12.797 ( 12.515 7.012 0.923) 14.376 13.482 ( -0.058 -5.835 -3.530) 6.820 13.482 ( -0.058 5.835 -3.530) 6.820 19.998 ( 3.982 -1.780 -1.491) 4.610 19.998 ( 3.982 1.780 -1.491) 4.610 20.487 ( 0.265 -6.651 2.861) 7.246 20.487 ( 0.265 6.651 2.861) 7.246 20.733 ( -1.229 -3.855 4.652) 6.165 20.733 ( -1.229 3.855 4.652) 6.165 22.157 ( -19.682 -3.517 -3.268) 20.259 22.157 ( -19.682 3.517 -3.268) 20.259 22.954 ( 3.947 -8.355 -1.537) 9.367 22.954 ( 3.947 8.355 -1.537) 9.367 23.110 ( 0.655 -7.595 3.984) 8.601 23.110 ( 0.655 7.595 3.984) 8.601 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 17.808 -5.351 2.534) 18.767 1.926 ( 17.808 5.351 2.534) 18.767 2.319 ( 12.208 -26.186 -9.641) 30.458 2.319 ( 12.208 26.186 -9.641) 30.458 3.013 ( -3.752 -1.878 -3.162) 5.254 3.013 ( -3.752 1.878 -3.162) 5.254 3.309 ( 3.311 -2.091 5.295) 6.586 3.309 ( 3.311 2.091 5.295) 6.586 3.425 ( 1.324 -8.745 0.608) 8.866 3.425 ( 1.324 8.745 0.608) 8.866 3.615 ( 7.492 -12.469 8.420) 16.807 3.615 ( 7.492 12.469 8.420) 16.807 4.627 ( -3.682 -14.159 0.464) 14.637 4.627 ( -3.682 14.159 0.464) 14.637 5.120 ( -1.444 -18.298 1.483) 18.414 5.120 ( -1.444 18.298 1.483) 18.414 5.423 ( -0.491 -8.106 -4.910) 9.490 5.423 ( -0.491 8.106 -4.910) 9.490 5.553 ( -1.961 -9.592 -3.382) 10.358 5.553 ( -1.961 9.592 -3.382) 10.358 6.028 ( -6.742 -5.132 -4.757) 9.718 6.028 ( -6.742 5.132 -4.757) 9.718 6.088 ( -0.944 -2.639 -3.789) 4.713 6.088 ( -0.944 2.639 -3.789) 4.713 6.533 ( -0.669 -14.892 0.338) 14.911 6.533 ( -0.669 14.892 0.338) 14.911 6.896 ( -3.477 -8.685 10.400) 13.989 6.896 ( -3.477 8.685 10.400) 13.989 7.742 ( -1.802 -10.459 1.426) 10.708 7.742 ( -1.802 10.459 1.426) 10.708 8.069 ( -7.910 -11.260 2.680) 14.019 8.069 ( -7.910 11.260 2.680) 14.019 9.090 ( 11.465 -1.186 -14.417) 18.458 9.090 ( 11.465 1.186 -14.417) 18.458 9.316 ( 4.211 -12.307 -10.373) 16.638 9.316 ( 4.211 12.307 -10.373) 16.638 10.460 ( -1.538 -6.827 -1.184) 7.098 10.460 ( -1.538 6.827 -1.184) 7.098 10.527 ( -1.619 -11.156 3.407) 11.777 10.527 ( -1.619 11.156 3.407) 11.777 11.486 ( 1.851 -1.030 1.241) 2.455 11.486 ( 1.851 1.030 1.241) 2.455 11.828 ( -8.198 -0.965 7.816) 11.368 11.828 ( -8.198 0.965 7.816) 11.368 13.048 ( 11.991 -12.662 -1.862) 17.538 13.048 ( 11.991 12.662 -1.862) 17.538 13.476 ( -0.675 -8.832 -3.823) 9.647 13.476 ( -0.675 8.832 -3.823) 9.647 20.106 ( 6.670 -4.096 -2.165) 8.121 20.106 ( 6.670 4.096 -2.165) 8.121 20.492 ( -0.093 -4.556 -0.663) 4.605 20.492 ( -0.093 4.556 -0.663) 4.605 20.712 ( -0.284 -4.433 6.763) 8.092 20.712 ( -0.284 4.433 6.763) 8.092 21.719 ( -23.054 -9.600 0.141) 24.974 21.719 ( -23.054 9.600 0.141) 24.974 23.014 ( 2.268 -8.508 -0.968) 8.858 23.014 ( 2.268 8.508 -0.968) 8.858 23.118 ( -0.018 -10.488 3.458) 11.044 23.118 ( -0.018 10.488 3.458) 11.044 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 13.837 -10.665 -0.945) 17.495 2.236 ( 13.837 10.665 -0.945) 17.495 2.527 ( 5.677 -17.976 -4.559) 19.394 2.527 ( 5.677 17.976 -4.559) 19.394 2.936 ( -1.068 -11.377 -1.443) 11.517 2.936 ( -1.068 11.377 -1.443) 11.517 3.223 ( -8.507 -16.746 1.654) 18.856 3.223 ( -8.507 16.746 1.654) 18.856 3.606 ( 12.374 -4.081 -2.210) 13.216 3.606 ( 12.374 4.081 -2.210) 13.216 3.787 ( 7.302 -8.682 6.144) 12.901 3.787 ( 7.302 8.682 6.144) 12.901 4.587 ( 1.634 -9.232 -0.495) 9.388 4.587 ( 1.634 9.232 -0.495) 9.388 5.022 ( -9.994 -16.291 0.478) 19.118 5.022 ( -9.994 16.291 0.478) 19.118 5.394 ( -1.242 -12.841 -4.051) 13.522 5.394 ( -1.242 12.841 -4.051) 13.522 5.482 ( -4.442 -12.457 -3.405) 13.657 5.482 ( -4.442 12.457 -3.405) 13.657 5.961 ( 0.559 -8.071 -6.496) 10.375 5.961 ( 0.559 8.071 -6.496) 10.375 6.069 ( -1.802 -2.861 -4.525) 5.648 6.069 ( -1.802 2.861 -4.525) 5.648 6.560 ( 3.576 -15.574 2.678) 16.202 6.560 ( 3.576 15.574 2.678) 16.202 6.798 ( -6.259 -10.301 8.759) 14.900 6.798 ( -6.259 10.301 8.759) 14.900 7.742 ( 1.848 -10.603 4.119) 11.524 7.742 ( 1.848 10.603 4.119) 11.524 7.924 ( -6.715 -10.894 4.908) 13.706 7.924 ( -6.715 10.894 4.908) 13.706 9.277 ( 7.205 -2.407 -12.713) 14.810 9.277 ( 7.205 2.407 -12.713) 14.810 9.378 ( 1.669 -7.404 -10.360) 12.842 9.378 ( 1.669 7.404 -10.360) 12.842 10.441 ( -0.231 -9.500 0.595) 9.522 10.441 ( -0.231 9.500 0.595) 9.522 10.490 ( -2.034 -11.463 2.952) 12.010 10.490 ( -2.034 11.463 2.952) 12.010 11.532 ( 2.805 -0.719 2.823) 4.044 11.532 ( 2.805 0.719 2.823) 4.044 11.692 ( -5.712 -0.152 6.567) 8.705 11.692 ( -5.712 0.152 6.567) 8.705 13.250 ( 8.462 -14.788 -3.520) 17.398 13.250 ( 8.462 14.788 -3.520) 17.398 13.449 ( -2.238 -11.852 -4.110) 12.742 13.449 ( -2.238 11.852 -4.110) 12.742 20.245 ( 7.007 -5.371 -2.966) 9.313 20.245 ( 7.007 5.371 -2.966) 9.313 20.462 ( -3.276 -2.340 -3.561) 5.375 20.462 ( -3.276 2.340 -3.561) 5.375 20.763 ( 6.294 -3.951 7.783) 10.760 20.763 ( 6.294 3.951 7.783) 10.760 21.293 ( -19.582 -10.276 2.959) 22.312 21.293 ( -19.582 10.276 2.959) 22.312 23.052 ( 1.688 -8.704 0.228) 8.869 23.052 ( 1.688 8.704 0.228) 8.869 23.108 ( -0.984 -10.717 2.581) 11.067 23.108 ( -0.984 10.717 2.581) 11.067 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 2.470 ( -9.312 -11.469 -2.380) 14.963 2.470 ( 9.272 -11.461 -2.380) 14.933 2.470 ( -9.272 11.461 -2.380) 14.933 2.470 ( 9.312 11.469 -2.380) 14.963 3.038 ( -9.307 -18.343 0.579) 20.577 3.038 ( 9.305 -18.343 0.579) 20.576 3.038 ( -9.305 18.343 0.579) 20.576 3.038 ( 9.307 18.343 0.579) 20.577 3.804 ( -5.815 -4.238 -0.523) 7.215 3.804 ( 2.527 -3.332 -0.523) 4.214 3.804 ( -2.527 3.332 -0.523) 4.214 3.804 ( 5.815 4.238 -0.523) 7.215 4.754 ( -12.719 -16.176 -0.294) 20.580 4.754 ( 7.326 -15.318 -0.294) 16.983 4.754 ( -7.326 15.318 -0.294) 16.983 4.754 ( 12.719 16.176 -0.294) 20.580 5.409 ( -2.386 -15.943 -3.336) 16.462 5.409 ( 2.310 -15.940 -3.336) 16.449 5.409 ( -2.310 15.940 -3.336) 16.449 5.409 ( 2.386 15.943 -3.336) 16.462 6.012 ( -1.954 -9.232 -5.617) 10.982 6.012 ( 0.830 -9.190 -5.617) 10.802 6.012 ( -0.830 9.190 -5.617) 10.802 6.012 ( 1.954 9.232 -5.617) 10.982 6.666 ( -6.400 -13.477 5.843) 16.022 6.666 ( 5.991 -13.430 5.843) 15.824 6.666 ( -5.991 13.430 5.843) 15.824 6.666 ( 6.400 13.477 5.843) 16.022 7.809 ( -4.775 -10.579 5.530) 12.856 7.809 ( 4.775 -10.579 5.530) 12.856 7.809 ( -4.775 10.579 5.530) 12.856 7.809 ( 4.775 10.579 5.530) 12.856 9.372 ( -1.509 -7.663 -11.239) 13.686 9.372 ( 0.911 -7.639 -11.239) 13.620 9.372 ( -0.911 7.639 -11.239) 13.620 9.372 ( 1.509 7.663 -11.239) 13.686 10.453 ( -1.399 -11.348 2.048) 11.616 10.453 ( 1.391 -11.348 2.048) 11.615 10.453 ( -1.391 11.348 2.048) 11.615 10.453 ( 1.399 11.348 2.048) 11.616 11.598 ( -2.091 -3.281 4.705) 6.105 11.598 ( -1.634 -3.216 4.705) 5.928 11.598 ( 1.634 3.216 4.705) 5.928 11.598 ( 2.091 3.281 4.705) 6.105 13.381 ( -4.704 -14.906 -4.130) 16.167 13.381 ( 4.532 -14.893 -4.130) 16.105 13.381 ( -4.532 14.893 -4.130) 16.105 13.381 ( 4.704 14.906 -4.130) 16.167 20.371 ( -4.808 -5.314 -3.478) 7.966 20.371 ( 1.147 -4.774 -3.478) 6.017 20.371 ( -1.147 4.774 -3.478) 6.017 20.371 ( 4.808 5.314 -3.478) 7.966 20.963 ( -13.750 -5.419 5.519) 15.777 20.963 ( -13.668 5.367 5.519) 15.687 20.963 ( 13.668 -5.367 5.519) 15.687 20.963 ( 13.750 5.419 5.519) 15.777 23.083 ( -1.367 -10.520 1.469) 10.710 23.083 ( 1.335 -10.519 1.469) 10.705 23.083 ( -1.335 10.519 1.469) 10.705 23.083 ( 1.367 10.520 1.469) 10.710 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 1.151 ( 0.000 0.000 25.813) 25.813 1.590 ( 0.000 0.000 34.617) 34.617 2.245 ( 0.000 0.000 43.222) 43.222 2.650 ( 0.000 0.000 -9.645) 9.645 2.802 ( 0.000 0.000 18.147) 18.147 2.851 ( 0.000 0.000 0.023) 0.023 3.081 ( 0.000 0.000 -13.992) 13.992 3.219 ( 0.000 0.000 -2.977) 2.977 3.332 ( 0.000 0.000 10.990) 10.990 3.382 ( 0.000 0.000 18.023) 18.023 3.773 ( 0.000 0.000 -8.938) 8.938 3.785 ( 0.000 0.000 -2.166) 2.166 4.097 ( 0.000 0.000 -12.944) 12.944 4.319 ( 0.000 0.000 -5.309) 5.309 4.456 ( 0.000 0.000 1.042) 1.042 4.641 ( 0.000 0.000 -8.566) 8.566 5.043 ( 0.000 0.000 3.023) 3.023 5.160 ( 0.000 0.000 4.143) 4.143 5.683 ( 0.000 0.000 -9.945) 9.945 5.712 ( 0.000 0.000 3.913) 3.913 6.089 ( 0.000 0.000 -7.869) 7.869 6.419 ( 0.000 0.000 -4.107) 4.107 6.665 ( 0.000 0.000 -14.190) 14.190 6.739 ( 0.000 0.000 -9.320) 9.320 6.807 ( 0.000 0.000 6.373) 6.373 6.995 ( 0.000 0.000 -9.620) 9.620 7.044 ( 0.000 0.000 2.927) 2.927 7.058 ( 0.000 0.000 7.918) 7.918 7.555 ( 0.000 0.000 0.881) 0.881 7.594 ( 0.000 0.000 -7.684) 7.684 8.167 ( 0.000 0.000 5.381) 5.381 8.273 ( 0.000 0.000 -3.458) 3.458 8.539 ( 0.000 0.000 0.632) 0.632 8.548 ( 0.000 0.000 0.390) 0.390 8.905 ( 0.000 0.000 -13.426) 13.426 9.404 ( 0.000 0.000 -25.031) 25.031 10.181 ( 0.000 0.000 -7.231) 7.231 10.244 ( 0.000 0.000 -9.807) 9.807 10.970 ( 0.000 0.000 6.813) 6.813 10.991 ( 0.000 0.000 2.748) 2.748 11.402 ( 0.000 0.000 1.499) 1.499 11.469 ( 0.000 0.000 0.342) 0.342 11.900 ( 0.000 0.000 9.223) 9.223 12.079 ( 0.000 0.000 9.860) 9.860 12.713 ( 0.000 0.000 6.883) 6.883 12.747 ( 0.000 0.000 3.965) 3.965 13.486 ( 0.000 0.000 -7.403) 7.403 13.518 ( 0.000 0.000 -8.554) 8.554 19.642 ( 0.000 0.000 2.203) 2.203 19.833 ( 0.000 0.000 -1.179) 1.179 20.212 ( 0.000 0.000 11.026) 11.026 20.589 ( 0.000 0.000 -0.696) 0.696 20.629 ( 0.000 0.000 1.189) 1.189 21.270 ( 0.000 0.000 15.553) 15.553 21.993 ( 0.000 0.000 -14.273) 14.273 22.522 ( 0.000 0.000 -3.416) 3.416 22.898 ( 0.000 0.000 2.120) 2.120 23.020 ( 0.000 0.000 5.174) 5.174 23.029 ( 0.000 0.000 -1.671) 1.671 23.457 ( 0.000 0.000 -2.654) 2.654 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 13.432 0.000 22.403) 26.121 1.615 ( 2.553 0.000 31.464) 31.568 2.359 ( 11.350 0.000 38.170) 39.822 2.622 ( -2.180 0.000 -0.182) 2.187 2.837 ( 4.867 0.000 10.729) 11.782 2.883 ( 3.348 0.000 -0.269) 3.359 2.963 ( -10.170 0.000 -11.239) 15.157 3.312 ( 0.742 0.000 6.985) 7.025 3.343 ( -4.317 0.000 18.814) 19.303 3.419 ( 14.291 0.000 -2.590) 14.524 3.762 ( -0.838 0.000 -6.274) 6.329 3.815 ( 2.363 0.000 -5.091) 5.613 4.049 ( -3.524 0.000 -12.976) 13.446 4.392 ( 3.713 0.000 -7.051) 7.969 4.439 ( 1.322 0.000 -0.413) 1.385 4.599 ( -4.523 0.000 -7.709) 8.938 5.081 ( 3.668 0.000 1.890) 4.126 5.139 ( -1.773 0.000 -2.515) 3.077 5.656 ( -2.613 0.000 -8.840) 9.218 5.688 ( -4.926 0.000 2.022) 5.325 6.140 ( 6.708 0.000 -6.031) 9.021 6.405 ( -1.187 0.000 -3.894) 4.071 6.434 ( -18.264 0.000 -14.793) 23.503 6.628 ( -11.703 0.000 -2.070) 11.885 6.690 ( -5.455 0.000 -5.191) 7.530 7.047 ( 1.343 0.000 3.849) 4.076 7.062 ( 2.977 0.000 6.714) 7.344 7.197 ( 8.580 0.000 3.413) 9.234 7.426 ( -2.783 0.000 4.353) 5.166 7.786 ( 6.064 0.000 -6.219) 8.686 8.174 ( -6.606 0.000 -1.307) 6.734 8.247 ( 9.239 0.000 1.553) 9.369 8.491 ( -4.732 0.000 -0.563) 4.766 8.693 ( 11.192 0.000 -2.564) 11.482 8.924 ( 1.699 0.000 -9.697) 9.844 9.404 ( -0.062 0.000 -23.484) 23.484 10.113 ( -5.870 0.000 -3.686) 6.931 10.202 ( -4.051 0.000 -8.783) 9.672 10.901 ( -2.575 0.000 7.344) 7.782 11.037 ( 0.987 0.000 4.532) 4.638 11.411 ( 0.844 0.000 1.297) 1.548 11.472 ( 0.235 0.000 0.210) 0.315 11.906 ( 0.664 0.000 9.362) 9.386 12.075 ( -0.406 0.000 9.830) 9.839 12.651 ( -0.642 0.000 4.927) 4.968 12.919 ( 8.299 0.000 -2.326) 8.619 13.485 ( 2.618 0.000 -9.464) 9.819 13.590 ( 4.991 0.000 -10.706) 11.813 19.654 ( 1.526 0.000 2.376) 2.824 19.924 ( 8.799 0.000 -1.334) 8.900 20.190 ( -2.159 0.000 10.406) 10.628 20.574 ( -1.510 0.000 -0.587) 1.620 20.607 ( -2.092 0.000 1.255) 2.440 21.240 ( -2.833 0.000 14.636) 14.908 21.912 ( -8.160 0.000 -13.776) 16.012 22.191 ( -33.883 0.000 10.968) 35.614 22.675 ( -2.292 0.000 5.843) 6.276 22.936 ( -0.981 0.000 1.773) 2.026 23.229 ( 5.237 0.000 -0.705) 5.285 23.624 ( 9.114 0.000 -5.766) 10.785 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 20.072 0.000 17.722) 26.776 1.694 ( 5.656 0.000 23.975) 24.633 2.616 ( 1.506 0.000 7.667) 7.813 2.664 ( 18.406 0.000 25.097) 31.123 2.711 ( -13.715 0.000 -3.565) 14.171 2.965 ( 5.236 0.000 6.256) 8.159 2.982 ( 5.867 0.000 0.589) 5.897 3.207 ( -8.630 0.000 18.503) 20.417 3.332 ( 3.521 0.000 2.638) 4.400 3.722 ( -3.397 0.000 -3.060) 4.572 3.752 ( 17.194 0.000 -7.533) 18.772 3.872 ( 3.326 0.000 -8.215) 8.863 4.003 ( -0.957 0.000 -15.510) 15.539 4.336 ( -4.320 0.000 -1.716) 4.649 4.460 ( -9.404 0.000 -4.794) 10.556 4.610 ( 10.802 0.000 -12.573) 16.576 5.105 ( -1.392 0.000 -10.441) 10.533 5.160 ( 2.984 0.000 -5.121) 5.927 5.504 ( -11.980 0.000 -7.488) 14.128 5.587 ( -4.551 0.000 -4.687) 6.533 6.052 ( -18.058 0.000 -11.674) 21.502 6.310 ( 4.588 0.000 3.078) 5.525 6.414 ( 4.980 0.000 -2.475) 5.561 6.449 ( -4.640 0.000 -1.762) 4.964 6.540 ( -9.612 0.000 -2.044) 9.827 7.033 ( -2.175 0.000 9.503) 9.748 7.137 ( 4.416 0.000 7.509) 8.711 7.331 ( 4.475 0.000 6.825) 8.161 7.428 ( 1.979 0.000 6.090) 6.403 7.800 ( -3.082 0.000 -0.554) 3.131 8.075 ( -2.968 0.000 -1.690) 3.415 8.373 ( -6.735 0.000 -1.594) 6.921 8.495 ( 13.782 0.000 -1.945) 13.919 8.919 ( 11.093 0.000 -6.336) 12.775 8.957 ( 1.284 0.000 -3.477) 3.707 9.393 ( -1.276 0.000 -20.075) 20.116 9.998 ( -5.017 0.000 -0.567) 5.049 10.100 ( -5.810 0.000 -6.629) 8.815 10.885 ( 0.618 0.000 7.114) 7.140 11.031 ( -1.259 0.000 5.854) 5.987 11.431 ( 1.115 0.000 0.891) 1.427 11.477 ( 0.190 0.000 -0.048) 0.196 11.927 ( 1.432 0.000 9.616) 9.722 12.062 ( -0.951 0.000 9.772) 9.818 12.675 ( 2.586 0.000 2.192) 3.390 12.985 ( -1.025 0.000 -3.778) 3.914 13.591 ( 6.553 0.000 -14.719) 16.111 13.692 ( 4.985 0.000 -15.655) 16.429 19.706 ( 3.744 0.000 3.199) 4.925 20.107 ( -0.738 0.000 9.168) 9.198 20.185 ( 12.011 0.000 -2.566) 12.282 20.531 ( -2.722 0.000 0.761) 2.826 20.560 ( -2.407 0.000 0.842) 2.550 21.169 ( -4.076 0.000 12.851) 13.482 21.574 ( -25.220 0.000 21.031) 32.838 21.681 ( -15.011 0.000 -12.381) 19.458 22.695 ( 2.556 0.000 3.359) 4.221 22.911 ( -1.602 0.000 1.913) 2.495 23.329 ( 5.383 0.000 0.198) 5.386 23.711 ( 0.249 0.000 -3.602) 3.611 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 10.284 0.000 15.873) 18.914 2.057 ( 22.541 0.000 15.913) 27.592 2.397 ( -15.830 0.000 2.852) 16.085 2.719 ( 6.582 0.000 9.214) 11.324 2.867 ( -14.454 0.000 19.641) 24.386 2.976 ( -3.746 0.000 8.812) 9.575 3.036 ( 14.458 0.000 2.389) 14.654 3.223 ( 8.873 0.000 5.930) 10.672 3.502 ( 12.729 0.000 -1.941) 12.876 3.650 ( -2.155 0.000 -2.426) 3.245 3.911 ( -1.780 0.000 -10.368) 10.519 3.949 ( -1.887 0.000 -4.837) 5.192 4.004 ( 1.803 0.000 -13.259) 13.381 4.248 ( -11.083 0.000 -2.045) 11.270 4.367 ( 11.914 0.000 -11.867) 16.815 4.800 ( 6.466 0.000 -18.700) 19.786 5.094 ( 0.590 0.000 -13.923) 13.936 5.143 ( -4.314 0.000 -15.797) 16.375 5.280 ( -9.698 0.000 -12.942) 16.173 5.410 ( -13.661 0.000 -5.879) 14.872 5.888 ( 3.399 0.000 2.934) 4.490 6.313 ( -0.770 0.000 2.461) 2.579 6.320 ( -12.396 0.000 1.787) 12.524 6.349 ( -3.141 0.000 2.445) 3.980 6.650 ( 12.137 0.000 3.575) 12.652 6.971 ( -4.310 0.000 10.060) 10.944 7.229 ( 4.769 0.000 8.977) 10.166 7.366 ( -0.713 0.000 10.167) 10.192 7.486 ( 3.970 0.000 6.281) 7.430 7.706 ( -5.925 0.000 3.110) 6.692 8.063 ( 1.699 0.000 -3.277) 3.691 8.241 ( -6.368 0.000 -2.618) 6.885 8.740 ( 10.547 0.000 -0.888) 10.584 8.962 ( -1.153 0.000 -0.154) 1.163 9.115 ( 8.696 0.000 -9.660) 12.998 9.349 ( -3.337 0.000 -16.373) 16.710 9.929 ( -1.871 0.000 -0.954) 2.101 9.992 ( -4.742 0.000 -4.390) 6.462 10.913 ( 1.924 0.000 6.643) 6.916 10.997 ( -2.029 0.000 6.325) 6.643 11.452 ( 0.974 0.000 0.488) 1.089 11.477 ( -0.200 0.000 -0.111) 0.229 11.961 ( 1.986 0.000 9.741) 9.941 12.037 ( -1.566 0.000 9.735) 9.861 12.742 ( 4.103 0.000 0.292) 4.113 12.924 ( -4.393 0.000 -2.340) 4.977 13.702 ( 4.539 0.000 -16.735) 17.339 13.764 ( 1.961 0.000 -18.946) 19.047 19.797 ( 5.305 0.000 4.645) 7.051 20.022 ( -5.435 0.000 8.457) 10.052 20.485 ( -1.524 0.000 2.167) 2.649 20.514 ( -2.263 0.000 1.360) 2.640 20.524 ( 19.672 0.000 -5.596) 20.452 21.098 ( -2.492 0.000 11.951) 12.208 21.223 ( -11.190 0.000 16.809) 20.193 21.337 ( -19.540 0.000 -10.331) 22.103 22.755 ( 3.322 0.000 2.907) 4.415 22.873 ( -2.357 0.000 2.273) 3.275 23.443 ( 6.033 0.000 0.500) 6.053 23.665 ( -4.268 0.000 -1.175) 4.427 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -14.356 0.000 8.846) 16.863 2.095 ( 14.356 0.000 8.846) 16.863 2.495 ( -21.339 0.000 16.905) 27.224 2.495 ( 21.339 0.000 16.905) 27.224 2.861 ( -7.162 0.000 9.420) 11.834 2.861 ( 7.162 0.000 9.420) 11.834 3.261 ( -6.773 0.000 -1.619) 6.964 3.261 ( 6.773 0.000 -1.619) 6.964 3.755 ( -11.547 0.000 -2.521) 11.819 3.755 ( 11.547 0.000 -2.521) 11.819 3.769 ( -13.049 0.000 -2.446) 13.277 3.769 ( 13.049 0.000 -2.446) 13.277 4.081 ( -5.651 0.000 -7.551) 9.431 4.081 ( 5.651 0.000 -7.551) 9.431 4.693 ( -16.306 0.000 -22.746) 27.987 4.693 ( 16.306 0.000 -22.746) 27.987 5.140 ( -4.486 0.000 -14.602) 15.275 5.140 ( 4.486 0.000 -14.602) 15.275 5.173 ( -8.844 0.000 -9.223) 12.778 5.173 ( 8.844 0.000 -9.223) 12.778 6.070 ( -12.380 0.000 5.548) 13.567 6.070 ( 12.380 0.000 5.548) 13.567 6.311 ( -0.791 0.000 2.941) 3.045 6.311 ( 0.791 0.000 2.941) 3.045 6.852 ( -8.087 0.000 8.007) 11.380 6.852 ( 8.087 0.000 8.007) 11.380 7.317 ( -3.857 0.000 10.427) 11.117 7.317 ( 3.857 0.000 10.427) 11.117 7.585 ( -5.904 0.000 5.370) 7.981 7.585 ( 5.904 0.000 5.370) 7.981 8.130 ( -4.769 0.000 -3.431) 5.875 8.130 ( 4.769 0.000 -3.431) 5.875 8.899 ( -5.523 0.000 0.212) 5.527 8.899 ( 5.523 0.000 0.212) 5.527 9.259 ( -5.881 0.000 -12.914) 14.191 9.259 ( 5.881 0.000 -12.914) 14.191 9.927 ( -1.661 0.000 -2.452) 2.962 9.927 ( 1.661 0.000 -2.452) 2.962 10.954 ( -2.209 0.000 6.473) 6.839 10.954 ( 2.209 0.000 6.473) 6.839 11.469 ( -0.654 0.000 0.119) 0.664 11.469 ( 0.654 0.000 0.119) 0.664 12.002 ( -2.006 0.000 9.741) 9.945 12.002 ( 2.006 0.000 9.741) 9.945 12.831 ( -4.810 0.000 -1.096) 4.933 12.831 ( 4.810 0.000 -1.096) 4.933 13.765 ( -1.743 0.000 -18.435) 18.517 13.765 ( 1.743 0.000 -18.435) 18.517 19.909 ( -5.892 0.000 6.483) 8.760 19.909 ( 5.892 0.000 6.483) 8.760 20.479 ( -0.950 0.000 2.340) 2.525 20.479 ( 0.950 0.000 2.340) 2.525 20.931 ( -21.159 0.000 -7.946) 22.602 20.931 ( 21.159 0.000 -7.946) 22.602 21.095 ( -2.641 0.000 12.601) 12.874 21.095 ( 2.641 0.000 12.601) 12.874 22.819 ( -3.072 0.000 2.632) 4.046 22.819 ( 3.072 0.000 2.632) 4.046 23.562 ( -5.885 0.000 0.098) 5.886 23.562 ( 5.885 0.000 0.098) 5.886 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 5.970 23.755) 24.494 1.442 ( 0.000 -7.693 34.019) 34.878 2.342 ( 0.000 -2.744 20.628) 20.809 2.644 ( 0.000 -6.696 -19.053) 20.196 2.827 ( 0.000 11.717 28.327) 30.655 2.908 ( 0.000 2.761 1.570) 3.176 3.016 ( 0.000 -8.761 2.597) 9.138 3.138 ( 0.000 5.522 -13.601) 14.679 3.252 ( 0.000 -3.814 13.355) 13.889 3.479 ( 0.000 5.772 11.524) 12.889 3.846 ( 0.000 -1.640 -9.181) 9.326 3.934 ( 0.000 6.974 -2.425) 7.384 4.119 ( 0.000 9.034 -0.484) 9.046 4.369 ( 0.000 7.020 -0.431) 7.034 4.623 ( 0.000 14.991 -1.849) 15.105 4.771 ( 0.000 13.250 -9.919) 16.552 5.058 ( 0.000 1.259 2.049) 2.405 5.193 ( 0.000 2.890 1.503) 3.257 5.649 ( 0.000 -1.927 -3.530) 4.022 5.771 ( 0.000 3.021 -3.734) 4.803 6.100 ( 0.000 0.934 -7.856) 7.912 6.296 ( 0.000 -9.815 -4.757) 10.907 6.477 ( 0.000 -18.275 4.578) 18.840 6.615 ( 0.000 -6.128 -8.783) 10.710 6.867 ( 0.000 -9.252 0.715) 9.280 6.965 ( 0.000 2.127 4.483) 4.962 7.061 ( 0.000 7.535 -5.982) 9.621 7.121 ( 0.000 2.234 -0.597) 2.312 7.453 ( 0.000 -12.233 -9.406) 15.431 7.641 ( 0.000 9.046 -3.561) 9.722 8.128 ( 0.000 -3.803 4.590) 5.961 8.300 ( 0.000 2.169 -5.576) 5.983 8.521 ( 0.000 -1.800 -0.865) 1.997 8.592 ( 0.000 4.383 -0.790) 4.454 8.795 ( 0.000 -9.557 -8.456) 12.761 9.328 ( 0.000 -7.360 -24.795) 25.864 10.224 ( 0.000 4.730 -4.780) 6.725 10.264 ( 0.000 2.113 -8.504) 8.762 10.804 ( 0.000 -10.471 8.649) 13.581 10.944 ( 0.000 -4.551 2.853) 5.372 11.412 ( 0.000 0.965 1.484) 1.771 11.513 ( 0.000 1.190 0.972) 1.536 11.961 ( 0.000 5.721 8.561) 10.297 12.214 ( 0.000 9.443 3.748) 10.160 12.707 ( 0.000 -0.406 6.789) 6.801 12.744 ( 0.000 -0.293 4.120) 4.130 13.429 ( 0.000 -4.329 -5.168) 6.741 13.498 ( 0.000 -1.993 -8.254) 8.491 19.768 ( 0.000 9.292 -1.560) 9.422 19.856 ( 0.000 2.093 -1.030) 2.332 20.262 ( 0.000 5.349 10.387) 11.683 20.599 ( 0.000 0.857 -0.135) 0.867 20.665 ( 0.000 3.255 1.434) 3.557 21.211 ( 0.000 -5.635 14.806) 15.842 22.019 ( 0.000 2.501 -13.843) 14.067 22.486 ( 0.000 -3.767 -4.305) 5.720 22.897 ( 0.000 -0.061 2.078) 2.079 22.987 ( 0.000 -3.482 -0.760) 3.564 23.037 ( 0.000 1.689 4.771) 5.061 23.396 ( 0.000 -5.149 -0.430) 5.166 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 8.267 1.337 23.938) 25.361 1.583 ( 12.648 -0.516 25.865) 28.796 2.338 ( 0.940 -6.360 13.974) 15.382 2.725 ( 7.189 2.345 -3.902) 8.510 2.873 ( 4.479 7.422 15.875) 18.088 2.925 ( 1.685 1.246 0.650) 2.193 3.030 ( -8.550 6.747 -5.893) 12.384 3.127 ( 9.494 -12.116 2.934) 15.670 3.259 ( 0.165 -1.973 9.095) 9.308 3.452 ( -2.592 6.024 11.076) 12.871 3.837 ( -0.579 -0.240 -7.439) 7.465 3.946 ( -1.008 2.026 -4.530) 5.064 4.124 ( 2.412 13.419 -0.199) 13.635 4.408 ( 2.744 4.181 -3.831) 6.300 4.578 ( -3.922 13.716 -0.254) 14.267 4.763 ( -0.591 14.845 -9.470) 17.619 5.046 ( -1.188 -1.117 -1.360) 2.123 5.210 ( 2.050 4.556 -2.488) 5.581 5.636 ( -2.278 -0.685 -4.114) 4.753 5.758 ( -3.278 4.101 -3.522) 6.322 6.116 ( 3.618 -2.223 -7.009) 8.195 6.269 ( -3.235 -9.447 -5.179) 11.249 6.400 ( -9.799 -9.287 -1.739) 13.612 6.472 ( -8.823 -10.408 -3.171) 14.008 6.661 ( -12.079 -5.431 -6.148) 14.601 7.026 ( 3.532 -2.270 7.050) 8.206 7.085 ( -2.326 0.871 3.621) 4.391 7.210 ( 8.271 2.226 1.447) 8.687 7.431 ( 0.250 -0.975 -0.244) 1.036 7.734 ( 4.068 -0.289 -4.549) 6.110 8.122 ( -3.437 -5.625 -1.021) 6.670 8.287 ( 4.687 3.796 -1.882) 6.318 8.547 ( -2.763 4.389 -2.973) 5.978 8.676 ( 10.962 -1.772 -4.569) 12.008 8.846 ( 4.512 -6.308 -5.916) 9.755 9.333 ( 0.412 -6.707 -23.091) 24.049 10.180 ( -3.938 6.459 -2.842) 8.081 10.228 ( -3.406 2.733 -7.573) 8.742 10.797 ( -0.064 -8.245 7.791) 11.343 10.959 ( 0.868 -5.805 3.358) 6.762 11.425 ( 1.177 1.112 1.321) 2.090 11.514 ( 0.128 1.828 1.159) 2.168 11.954 ( -0.611 4.442 8.803) 9.879 12.136 ( -5.655 4.480 7.814) 10.635 12.679 ( 1.066 2.677 4.525) 5.365 12.920 ( 9.794 -0.092 -2.451) 10.096 13.425 ( 1.395 -5.090 -6.676) 8.510 13.547 ( 3.761 -3.424 -9.287) 10.588 19.769 ( 0.915 8.477 -1.009) 8.586 19.948 ( 8.538 2.144 -1.743) 8.974 20.241 ( -2.128 5.515 9.831) 11.472 20.582 ( -1.642 0.696 -0.180) 1.793 20.645 ( -1.853 3.514 1.618) 4.290 21.186 ( -2.357 -5.177 13.955) 15.070 21.925 ( -9.434 1.372 -12.455) 15.685 22.184 ( -29.073 -1.122 5.938) 29.694 22.716 ( -2.403 3.993 5.631) 7.310 22.953 ( -0.830 1.711 1.653) 2.520 23.195 ( 5.043 -3.277 -0.347) 6.025 23.536 ( 8.370 -7.841 -3.153) 11.895 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 14.385 -1.213 20.228) 24.851 1.868 ( 15.210 8.232 15.412) 23.166 2.417 ( 7.217 -9.483 7.873) 14.283 2.764 ( -12.203 6.370 -0.560) 13.776 2.923 ( 8.710 2.894 -0.962) 9.229 2.957 ( 1.758 0.203 1.685) 2.444 3.015 ( 5.026 8.418 15.721) 18.528 3.260 ( -0.051 4.658 12.437) 13.281 3.358 ( 12.630 -14.444 -0.974) 19.212 3.421 ( 2.325 4.202 2.149) 5.261 3.808 ( -3.103 5.173 -1.323) 6.176 3.893 ( -2.754 -7.306 -10.187) 12.834 4.213 ( 3.977 16.400 -2.528) 17.063 4.397 ( -4.253 0.582 -7.039) 8.245 4.509 ( -2.313 12.748 -0.155) 12.957 4.788 ( 3.939 14.463 -10.547) 18.329 5.019 ( -1.312 -3.401 -8.432) 9.187 5.264 ( 2.583 5.642 -9.003) 10.934 5.518 ( -9.990 1.896 -7.469) 12.617 5.660 ( -4.385 5.367 -6.299) 9.365 5.986 ( -18.518 -6.619 -11.377) 22.719 6.242 ( -1.681 -7.832 1.450) 8.140 6.308 ( 3.390 -8.971 1.368) 9.687 6.379 ( 2.412 -5.748 -0.058) 6.234 6.465 ( -8.818 -7.604 -2.034) 11.820 7.019 ( -3.711 -1.074 10.145) 10.855 7.096 ( 3.533 -4.637 6.286) 8.573 7.336 ( 3.594 -0.284 6.284) 7.244 7.462 ( 2.504 3.257 4.102) 5.805 7.751 ( -1.514 -1.423 0.761) 2.213 8.047 ( -2.445 -3.701 -2.074) 4.896 8.337 ( -3.506 -1.496 -0.997) 3.940 8.600 ( 9.490 7.490 -5.881) 13.444 8.870 ( 7.097 -3.672 -7.168) 10.735 8.963 ( 7.689 -0.014 -4.281) 8.800 9.335 ( -0.384 -5.223 -19.696) 20.380 10.095 ( -4.138 8.707 -0.713) 9.666 10.144 ( -4.702 4.452 -5.554) 8.531 10.811 ( 1.427 -6.579 6.476) 9.341 10.961 ( -0.740 -6.080 4.371) 7.524 11.454 ( 1.613 1.724 1.088) 2.600 11.517 ( 0.048 2.911 1.321) 3.197 11.943 ( -0.453 1.348 9.220) 9.329 12.042 ( -3.741 -1.559 9.530) 10.356 12.728 ( 3.500 4.861 2.116) 6.352 13.021 ( 0.369 3.318 -4.521) 5.620 13.513 ( 6.576 -7.672 -12.565) 16.124 13.623 ( 3.664 -5.411 -11.993) 13.658 19.810 ( 3.121 8.093 0.113) 8.675 20.171 ( 13.471 -0.490 -3.398) 13.901 20.180 ( -3.798 6.425 8.435) 11.263 20.539 ( -2.580 0.366 0.117) 2.608 20.605 ( -1.742 4.417 2.155) 5.214 21.128 ( -3.212 -3.908 12.241) 13.244 21.592 ( -23.146 1.749 13.920) 27.066 21.703 ( -16.914 1.755 -8.617) 19.063 22.733 ( 2.472 3.965 3.465) 5.818 22.931 ( -1.421 2.071 1.910) 3.155 23.287 ( 4.889 -4.022 0.346) 6.340 23.623 ( 0.725 -8.182 -2.235) 8.513 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 15.487 0.944 14.953) 21.548 2.162 ( 13.269 6.820 11.026) 18.551 2.495 ( -11.142 8.417 2.036) 14.111 2.597 ( 8.477 -7.294 5.759) 12.579 2.874 ( -8.346 -0.544 8.770) 12.118 2.976 ( -6.551 -0.471 5.513) 8.575 3.183 ( 11.894 10.142 3.384) 15.993 3.336 ( 8.414 8.874 12.963) 17.821 3.553 ( 5.943 0.766 -0.884) 6.057 3.603 ( 12.446 -10.597 -11.060) 19.736 3.734 ( -2.465 3.448 0.157) 4.241 3.864 ( 0.976 -10.084 -10.166) 14.352 4.132 ( -10.808 10.820 -3.636) 15.719 4.277 ( -9.828 6.424 -1.720) 11.867 4.582 ( 10.752 13.168 -8.923) 19.199 4.881 ( 3.365 6.836 -15.279) 17.073 5.006 ( 0.688 -3.452 -11.350) 11.884 5.276 ( -1.370 6.855 -17.750) 19.077 5.318 ( -9.534 4.658 -14.969) 18.349 5.452 ( -16.500 3.390 -8.769) 18.990 5.829 ( 4.642 -5.590 3.954) 8.272 6.179 ( -5.352 -9.953 2.140) 11.502 6.269 ( -2.610 -7.559 2.007) 8.245 6.294 ( -6.776 -5.352 0.737) 8.666 6.595 ( 12.277 -4.670 6.537) 14.672 6.936 ( -5.042 -2.799 11.273) 12.662 7.171 ( 4.084 -6.046 7.794) 10.676 7.337 ( -2.840 -4.118 8.598) 9.947 7.529 ( 4.144 4.553 6.145) 8.699 7.697 ( -3.691 1.174 4.077) 5.624 8.046 ( 2.226 -2.196 -2.176) 3.809 8.231 ( -5.985 -1.164 -1.363) 6.248 8.797 ( 8.847 5.099 -4.458) 11.142 8.947 ( 1.287 -0.804 -3.418) 3.740 9.124 ( 7.635 0.374 -9.741) 12.382 9.312 ( -2.120 -3.368 -16.448) 16.922 10.030 ( -2.228 9.103 -0.561) 9.388 10.059 ( -3.559 6.674 -3.271) 8.240 10.848 ( 2.180 -6.080 5.813) 8.690 10.934 ( -1.848 -5.890 5.125) 8.023 11.484 ( 1.330 2.678 1.039) 3.166 11.515 ( -0.276 3.476 1.229) 3.697 11.940 ( 0.285 -2.058 9.404) 9.631 11.986 ( -2.110 -4.452 9.442) 10.650 12.807 ( 4.365 5.991 0.168) 7.415 12.979 ( -3.669 5.250 -2.888) 7.026 13.630 ( 4.580 -7.489 -15.696) 17.984 13.680 ( 1.843 -7.090 -14.903) 16.606 19.887 ( 4.588 7.571 1.860) 9.046 20.090 ( -5.109 6.513 6.227) 10.358 20.417 ( 7.168 -4.116 -2.703) 8.696 20.495 ( -1.646 -0.483 0.424) 1.767 20.637 ( 9.086 6.874 0.852) 11.425 21.078 ( -1.360 -1.988 10.989) 11.250 21.242 ( -12.170 1.855 15.143) 19.515 21.350 ( -19.115 1.094 -8.862) 21.098 22.790 ( 3.074 3.628 2.964) 5.604 22.897 ( -2.106 2.512 2.308) 4.009 23.390 ( 5.448 -5.072 0.676) 7.474 23.588 ( -3.665 -7.290 -0.507) 8.175 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -13.897 2.728 9.592) 17.105 2.117 ( 13.897 2.728 9.592) 17.105 2.569 ( -13.577 6.146 8.452) 17.133 2.569 ( 13.577 6.146 8.452) 17.133 2.828 ( -7.354 -2.645 6.998) 10.490 2.828 ( 7.354 -2.645 6.998) 10.490 3.379 ( -6.818 10.174 2.226) 12.448 3.379 ( 6.818 10.174 2.226) 12.448 3.646 ( -6.989 -8.667 -4.929) 12.176 3.646 ( 6.989 -8.667 -4.929) 12.176 3.869 ( -12.850 -2.837 -6.702) 14.768 3.869 ( 12.850 -2.837 -6.702) 14.768 4.037 ( -12.355 10.101 0.194) 15.959 4.037 ( 12.355 10.101 0.194) 15.959 4.822 ( -10.145 7.495 -19.381) 23.124 4.822 ( 10.145 7.495 -19.381) 23.124 5.095 ( -9.251 -0.995 -7.553) 11.984 5.095 ( 9.251 -0.995 -7.553) 11.984 5.273 ( -2.736 7.019 -16.678) 18.301 5.273 ( 2.736 7.019 -16.678) 18.301 6.002 ( -10.709 -6.142 5.299) 13.434 6.002 ( 10.709 -6.142 5.299) 13.434 6.241 ( -0.232 -6.869 1.848) 7.117 6.241 ( 0.232 -6.869 1.848) 7.117 6.805 ( -8.640 -3.947 9.988) 13.784 6.805 ( 8.640 -3.947 9.988) 13.784 7.257 ( -4.593 -6.338 8.662) 11.674 7.257 ( 4.593 -6.338 8.662) 11.674 7.615 ( -4.429 3.739 6.193) 8.483 7.615 ( 4.429 3.739 6.193) 8.483 8.120 ( -4.973 -1.316 -1.879) 5.477 8.120 ( 4.973 -1.316 -1.879) 5.477 8.923 ( -3.827 2.475 -3.058) 5.488 8.923 ( 3.827 2.475 -3.058) 5.488 9.246 ( -4.710 -1.359 -13.402) 14.270 9.246 ( 4.710 -1.359 -13.402) 14.270 10.015 ( -0.766 8.330 -1.488) 8.497 10.015 ( 0.766 8.330 -1.488) 8.497 10.893 ( -2.272 -5.904 5.516) 8.393 10.893 ( 2.272 -5.904 5.516) 8.393 11.504 ( -0.785 3.379 1.108) 3.641 11.504 ( 0.785 3.379 1.108) 3.641 11.954 ( -1.133 -4.348 9.378) 10.399 11.954 ( 1.133 -4.348 9.378) 10.399 12.896 ( -4.518 6.093 -1.434) 7.719 12.896 ( 4.518 6.093 -1.434) 7.719 13.687 ( -1.257 -7.367 -16.098) 17.749 13.687 ( 1.257 -7.367 -16.098) 17.749 19.986 ( -5.307 6.996 4.000) 9.649 19.986 ( 5.307 6.996 4.000) 9.649 20.466 ( -1.245 -1.419 0.929) 2.104 20.466 ( 1.245 -1.419 0.929) 2.104 20.955 ( -19.223 2.294 -4.568) 19.891 20.955 ( 19.223 2.294 -4.568) 19.891 21.099 ( -3.758 0.351 10.844) 11.482 21.099 ( 3.758 0.351 10.844) 11.482 22.849 ( -2.776 3.065 2.679) 4.927 22.849 ( 2.776 3.065 2.679) 4.927 23.497 ( -5.283 -6.196 0.435) 8.154 23.497 ( 5.283 -6.196 0.435) 8.154 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 11.237 18.770) 21.876 1.433 ( 0.000 7.178 17.289) 18.720 2.117 ( 0.000 -15.010 13.770) 20.370 2.293 ( 0.000 -22.337 -15.112) 26.969 2.906 ( 0.000 1.504 -2.262) 2.717 2.991 ( 0.000 0.019 -0.271) 0.271 3.216 ( 0.000 11.439 5.302) 12.608 3.225 ( 0.000 1.738 7.012) 7.224 3.304 ( 0.000 15.927 11.406) 19.590 3.576 ( 0.000 3.388 5.876) 6.782 3.714 ( 0.000 -7.386 -6.442) 9.801 3.908 ( 0.000 -7.993 7.689) 11.090 4.438 ( 0.000 18.873 5.979) 19.797 4.663 ( 0.000 21.216 2.649) 21.381 4.972 ( 0.000 17.213 -5.436) 18.051 5.032 ( 0.000 -5.303 4.310) 6.834 5.130 ( 0.000 19.409 -5.256) 20.108 5.273 ( 0.000 4.409 -7.805) 8.964 5.586 ( 0.000 -6.061 -5.835) 8.413 5.707 ( 0.000 -13.446 2.119) 13.612 6.100 ( 0.000 -7.856 -2.673) 8.298 6.106 ( 0.000 -2.362 -4.013) 4.657 6.172 ( 0.000 -4.082 1.599) 4.384 6.443 ( 0.000 -9.627 -4.758) 10.738 6.667 ( 0.000 -8.900 2.803) 9.331 6.838 ( 0.000 -11.996 0.797) 12.023 7.125 ( 0.000 -1.361 0.726) 1.542 7.145 ( 0.000 -6.317 9.031) 11.021 7.404 ( 0.000 13.933 -22.141) 26.160 7.857 ( 0.000 5.574 -6.223) 8.354 8.046 ( 0.000 0.901 -4.259) 4.353 8.351 ( 0.000 2.859 -5.801) 6.467 8.471 ( 0.000 -3.127 -4.673) 5.623 8.569 ( 0.000 -12.448 -3.199) 12.852 8.719 ( 0.000 8.035 -5.003) 9.466 9.133 ( 0.000 -11.132 -21.026) 23.791 10.332 ( 0.000 4.536 -5.665) 7.257 10.363 ( 0.000 7.910 -3.514) 8.656 10.640 ( 0.000 -5.581 6.592) 8.637 10.816 ( 0.000 -7.899 3.069) 8.474 11.438 ( 0.000 1.479 1.573) 2.160 11.504 ( 0.000 -1.449 1.974) 2.448 12.107 ( 0.000 8.084 6.993) 10.689 12.327 ( 0.000 0.672 2.199) 2.300 12.709 ( 0.000 0.719 5.943) 5.986 12.737 ( 0.000 -0.403 4.539) 4.557 13.366 ( 0.000 -1.169 -4.348) 4.502 13.444 ( 0.000 -3.158 -7.381) 8.029 19.904 ( 0.000 2.320 -0.753) 2.439 19.906 ( 0.000 3.764 -1.853) 4.196 20.423 ( 0.000 9.463 7.619) 12.148 20.613 ( 0.000 0.097 1.292) 1.295 20.747 ( 0.000 4.771 3.378) 5.845 21.057 ( 0.000 -9.136 12.721) 15.662 22.094 ( 0.000 4.959 -12.545) 13.490 22.370 ( 0.000 -7.330 -6.786) 9.989 22.896 ( 0.000 -0.018 1.793) 1.793 22.925 ( 0.000 -2.173 0.445) 2.218 23.089 ( 0.000 3.518 3.873) 5.232 23.284 ( 0.000 -5.657 1.718) 5.913 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 6.985 12.834 13.866) 20.143 1.636 ( 16.155 5.315 16.188) 23.480 2.140 ( 3.097 -11.258 7.974) 14.139 2.409 ( 10.356 -24.120 -10.391) 28.231 2.925 ( 1.785 1.460 -3.160) 3.912 2.993 ( -1.191 0.244 -1.412) 1.864 3.156 ( -2.507 6.733 5.395) 8.985 3.268 ( 0.951 3.301 -3.623) 4.993 3.327 ( 3.984 18.090 21.897) 28.681 3.560 ( -1.206 4.584 7.229) 8.645 3.694 ( -1.901 -8.596 -5.907) 10.602 3.939 ( 2.282 -6.306 6.327) 9.220 4.422 ( -1.168 17.143 5.353) 17.997 4.675 ( 0.455 20.549 0.776) 20.569 4.878 ( -6.917 9.964 1.412) 12.212 5.044 ( -0.361 2.978 -4.820) 5.677 5.138 ( 0.675 20.101 -6.649) 21.183 5.294 ( 2.119 3.223 -7.224) 8.189 5.599 ( 0.581 -6.025 -5.968) 8.501 5.704 ( -1.784 -12.577 1.710) 12.817 6.060 ( -4.371 -2.393 -8.810) 10.121 6.100 ( 0.315 -6.818 -1.251) 6.939 6.164 ( -0.909 -6.329 3.364) 7.224 6.281 ( -13.232 -9.158 -5.614) 17.043 6.505 ( -11.814 -6.504 -2.306) 13.682 6.868 ( 1.888 -13.523 1.499) 13.736 7.089 ( -1.972 0.216 9.474) 9.680 7.216 ( 3.783 -4.225 5.537) 7.926 7.481 ( 5.545 9.823 -11.314) 15.976 7.857 ( -0.095 5.843 -4.487) 7.368 7.993 ( -4.368 -2.545 -3.868) 6.366 8.344 ( -0.587 -0.499 -2.988) 3.085 8.562 ( 5.503 -3.272 -10.478) 12.279 8.646 ( 9.568 -2.072 -3.411) 10.367 8.790 ( 6.653 4.129 -6.109) 9.931 9.159 ( 2.218 -10.033 -20.041) 22.522 10.311 ( -1.947 5.532 -4.816) 7.588 10.350 ( -1.325 9.107 -2.730) 9.599 10.643 ( 0.340 -6.342 5.919) 8.681 10.816 ( -0.153 -8.456 3.092) 9.005 11.453 ( 1.484 1.591 1.702) 2.763 11.518 ( 1.333 -1.082 2.224) 2.809 12.064 ( -3.921 5.825 7.604) 10.350 12.195 ( -9.753 0.731 6.445) 11.713 12.747 ( 4.271 3.791 3.790) 6.853 12.899 ( 11.560 -2.440 -1.002) 11.857 13.348 ( -1.241 -1.211 -4.380) 4.710 13.467 ( 1.811 -4.431 -7.871) 9.212 19.904 ( 1.574 4.686 -1.372) 5.130 19.983 ( 6.105 0.687 -1.563) 6.339 20.405 ( -1.680 9.448 6.487) 11.583 20.592 ( -2.038 -0.112 0.978) 2.263 20.735 ( -1.054 5.281 3.746) 6.560 21.044 ( -1.188 -8.501 12.093) 14.830 21.970 ( -11.867 3.151 -10.255) 15.997 22.135 ( -20.871 -3.714 -1.868) 21.281 22.823 ( -0.220 6.165 3.451) 7.069 22.998 ( 1.275 1.635 0.413) 2.115 23.121 ( 2.643 -2.461 1.778) 4.026 23.354 ( 4.908 -9.334 0.646) 10.566 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 14.049 12.848 9.275) 21.177 1.997 ( 18.931 4.833 10.521) 22.191 2.246 ( 7.414 -7.420 3.085) 10.933 2.639 ( 11.008 -22.594 -6.788) 26.034 2.887 ( -8.693 4.733 -1.256) 9.977 2.972 ( 3.460 -1.147 -4.205) 5.565 3.138 ( -0.824 6.640 2.948) 7.312 3.348 ( 8.305 4.445 0.700) 9.445 3.396 ( 1.226 7.249 12.300) 14.330 3.587 ( 5.821 11.605 12.221) 17.830 3.641 ( -3.137 -11.446 -5.737) 13.182 3.956 ( -1.610 1.101 4.448) 4.857 4.418 ( 1.341 9.476 2.236) 9.828 4.611 ( -8.259 15.715 -3.090) 18.020 4.785 ( -1.156 12.322 2.236) 12.576 5.020 ( -1.825 5.820 -8.536) 10.492 5.141 ( -0.972 18.057 -7.406) 19.541 5.344 ( 2.237 1.623 -10.800) 11.149 5.569 ( -8.106 0.969 -8.920) 12.092 5.621 ( -0.364 -13.448 -2.808) 13.743 5.872 ( -18.481 -1.388 -12.700) 22.467 6.012 ( -4.295 -12.138 -1.819) 13.003 6.103 ( -0.907 -10.109 0.013) 10.149 6.215 ( -0.492 -11.849 -0.183) 11.860 6.370 ( 1.660 3.522 4.875) 6.240 6.903 ( 1.683 -13.274 4.349) 14.070 7.029 ( -3.879 1.256 11.431) 12.136 7.253 ( -0.858 -7.350 6.904) 10.121 7.578 ( 4.421 8.251 0.168) 9.362 7.847 ( -1.239 9.409 -0.410) 9.499 7.931 ( -0.733 -6.453 -1.049) 6.578 8.281 ( -5.056 -5.672 -0.739) 7.635 8.736 ( 10.507 4.866 -10.961) 15.944 8.832 ( 8.274 0.818 -8.595) 11.959 8.955 ( 9.151 0.284 -7.880) 12.080 9.203 ( 1.893 -7.605 -17.933) 19.571 10.265 ( -2.366 7.959 -2.915) 8.800 10.315 ( -2.154 11.403 -1.116) 11.659 10.657 ( 1.094 -8.098 4.693) 9.424 10.804 ( -1.107 -9.341 3.247) 9.951 11.494 ( 2.613 2.169 2.075) 3.979 11.553 ( 2.092 0.345 2.887) 3.582 11.972 ( -5.045 1.443 8.207) 9.741 12.016 ( -7.836 -0.918 8.688) 11.736 12.851 ( 5.779 7.053 1.158) 9.191 13.089 ( 6.031 1.470 -5.846) 8.527 13.346 ( 1.926 -5.875 -5.752) 8.445 13.501 ( 1.461 -6.660 -9.125) 11.391 19.959 ( 3.762 6.231 -1.276) 7.389 20.134 ( 8.539 -2.627 -2.080) 9.173 20.361 ( -2.672 9.110 3.049) 9.972 20.538 ( -3.249 -0.656 0.302) 3.328 20.720 ( 0.218 6.721 4.739) 8.227 21.019 ( -1.057 -6.704 10.744) 12.708 21.640 ( -20.238 2.884 3.411) 20.725 21.726 ( -18.604 -0.048 -5.115) 19.294 22.855 ( 2.449 7.733 2.716) 8.554 23.000 ( -0.595 4.853 1.775) 5.202 23.180 ( 3.384 -6.010 1.040) 6.975 23.414 ( 0.791 -11.803 0.488) 11.840 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 15.648 10.960 6.862) 20.299 2.296 ( 7.705 7.086 5.821) 11.977 2.428 ( 11.317 -8.542 0.713) 14.197 2.694 ( -6.079 3.701 0.188) 7.119 2.774 ( -0.065 -4.921 -0.354) 4.934 3.049 ( -7.605 5.832 4.668) 10.660 3.121 ( 10.444 -11.127 -6.273) 16.499 3.430 ( 3.100 3.039 3.991) 5.897 3.544 ( -3.361 -7.933 -2.673) 9.021 3.584 ( 13.404 1.979 -0.654) 13.565 3.764 ( 5.390 10.113 8.684) 14.378 3.873 ( -3.856 5.658 1.843) 7.090 4.415 ( -9.356 15.396 -4.959) 18.686 4.458 ( 0.387 8.307 -1.299) 8.417 4.789 ( 1.642 8.253 -1.598) 8.565 4.970 ( -3.562 3.955 -10.705) 11.955 5.090 ( -2.566 9.920 -6.879) 12.341 5.346 ( -4.483 0.421 -15.538) 16.177 5.437 ( -5.421 3.141 -15.439) 16.662 5.457 ( -11.158 -5.468 -9.833) 15.846 5.739 ( 5.484 0.043 1.449) 5.672 5.954 ( -2.687 -10.608 -0.599) 10.960 6.073 ( -1.718 -10.410 -0.903) 10.589 6.131 ( -5.398 -9.912 -2.453) 11.550 6.537 ( 11.284 1.380 11.835) 16.410 6.893 ( -4.759 -1.589 11.536) 12.579 6.988 ( 1.947 -10.551 8.032) 13.402 7.183 ( -5.509 -9.917 7.626) 13.669 7.663 ( 4.226 8.069 5.013) 10.397 7.806 ( -2.734 9.052 3.700) 10.154 7.967 ( 3.694 -5.579 0.809) 6.740 8.171 ( -5.836 -5.443 0.910) 8.032 8.916 ( 7.067 5.848 -10.319) 13.807 8.962 ( 4.629 2.835 -8.920) 10.442 9.112 ( 6.225 -1.682 -11.310) 13.019 9.223 ( -0.013 -5.313 -15.857) 16.723 10.230 ( -0.912 10.760 -0.924) 10.838 10.270 ( -2.237 12.868 0.078) 13.061 10.686 ( 1.890 -9.616 3.917) 10.554 10.772 ( -2.033 -9.953 3.463) 10.732 11.550 ( 2.876 3.685 2.701) 5.399 11.591 ( 1.475 3.350 3.542) 5.094 11.878 ( -3.913 -3.785 8.042) 9.712 11.897 ( -4.335 -3.605 8.798) 10.449 12.962 ( 5.385 9.101 -1.178) 10.640 13.120 ( -1.736 8.151 -4.569) 9.504 13.424 ( 4.700 -11.442 -9.764) 15.759 13.517 ( 0.028 -8.975 -10.439) 13.767 20.046 ( 5.057 7.678 -0.932) 9.241 20.237 ( -1.430 5.087 1.186) 5.416 20.343 ( 3.239 -1.724 -3.440) 5.030 20.474 ( -3.094 -1.822 -0.363) 3.609 20.784 ( 7.398 7.397 4.354) 11.331 21.019 ( 1.547 -3.840 9.314) 10.192 21.292 ( -14.116 2.894 9.280) 17.140 21.365 ( -18.037 0.063 -4.862) 18.681 22.904 ( 2.442 7.551 2.613) 8.355 22.981 ( -1.349 6.089 2.388) 6.678 23.252 ( 3.863 -8.118 1.168) 9.065 23.393 ( -2.487 -11.423 1.032) 11.736 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -11.807 8.298 5.035) 15.285 2.226 ( 11.807 8.298 5.035) 15.285 2.612 ( -5.910 -5.151 -0.546) 7.859 2.612 ( 5.910 -5.151 -0.546) 7.859 2.849 ( -9.892 7.263 5.046) 13.269 2.849 ( 9.892 7.263 5.046) 13.269 3.340 ( -9.904 -15.418 -3.934) 18.743 3.340 ( 9.904 -15.418 -3.934) 18.743 3.638 ( -9.923 10.647 0.178) 14.555 3.638 ( 9.923 10.647 0.178) 14.555 3.839 ( -8.778 0.055 1.898) 8.981 3.839 ( 8.778 0.055 1.898) 8.981 4.371 ( -5.897 18.641 -2.908) 19.767 4.371 ( 5.897 18.641 -2.908) 19.767 4.878 ( -5.858 -2.456 -11.277) 12.943 4.878 ( 5.858 -2.456 -11.277) 12.943 5.132 ( -8.164 5.203 -4.243) 10.570 5.132 ( 8.164 5.203 -4.243) 10.570 5.403 ( -1.220 3.039 -16.982) 17.295 5.403 ( 1.220 3.039 -16.982) 17.295 5.870 ( -6.300 -4.872 1.443) 8.093 5.870 ( 6.300 -4.872 1.443) 8.093 6.060 ( -1.132 -10.016 -1.564) 10.201 6.060 ( 1.132 -10.016 -1.564) 10.201 6.748 ( -9.454 -0.015 13.034) 16.102 6.748 ( 9.454 -0.015 13.034) 16.102 7.068 ( -5.462 -11.560 7.902) 15.031 7.068 ( 5.462 -11.560 7.902) 15.031 7.742 ( -3.730 8.325 5.741) 10.778 7.742 ( 3.730 8.325 5.741) 10.778 8.059 ( -5.388 -5.078 1.450) 7.545 8.059 ( 5.388 -5.078 1.450) 7.545 8.999 ( -1.145 4.880 -9.193) 10.470 8.999 ( 1.145 4.880 -9.193) 10.470 9.198 ( -2.670 -3.561 -14.007) 14.697 9.198 ( 2.670 -3.561 -14.007) 14.697 10.234 ( -1.200 12.673 0.223) 12.732 10.234 ( 1.200 12.673 0.223) 12.732 10.728 ( -2.311 -10.172 3.628) 11.044 10.728 ( 2.311 -10.172 3.628) 11.044 11.595 ( -1.303 5.426 3.413) 6.541 11.595 ( 1.303 5.426 3.413) 6.541 11.844 ( -0.714 -6.227 8.229) 10.344 11.844 ( 0.714 -6.227 8.229) 10.344 13.058 ( -4.186 9.594 -2.974) 10.882 13.058 ( 4.186 9.594 -2.974) 10.882 13.496 ( -2.353 -10.941 -11.051) 15.728 13.496 ( 2.353 -10.941 -11.051) 15.728 20.152 ( -5.435 8.613 -0.236) 10.187 20.152 ( 5.435 8.613 -0.236) 10.187 20.415 ( -3.144 -3.872 -1.447) 5.193 20.415 ( 3.144 -3.872 -1.447) 5.193 21.016 ( -14.737 3.417 1.264) 15.181 21.016 ( 14.737 3.417 1.264) 15.181 21.101 ( -6.475 -0.384 7.494) 9.911 21.101 ( 6.475 -0.384 7.494) 9.911 22.948 ( -1.985 6.903 2.617) 7.645 22.948 ( 1.985 6.903 2.617) 7.645 23.329 ( -3.779 -9.967 1.252) 10.733 23.329 ( 3.779 -9.967 1.252) 10.733 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 1.585 ( 0.000 -1.917 8.149) 8.371 1.585 ( 0.000 1.917 8.149) 8.371 1.932 ( 0.000 -6.033 4.959) 7.809 1.932 ( 0.000 6.033 4.959) 7.809 2.952 ( 0.000 -2.843 -3.387) 4.422 2.952 ( 0.000 2.843 -3.387) 4.422 3.279 ( 0.000 -1.597 -2.207) 2.725 3.279 ( 0.000 1.597 -2.207) 2.725 3.619 ( 0.000 -1.791 0.205) 1.802 3.619 ( 0.000 1.791 0.205) 1.802 3.667 ( 0.000 -15.409 16.864) 22.843 3.667 ( 0.000 15.409 16.864) 22.843 4.807 ( 0.000 -16.236 6.706) 17.567 4.807 ( 0.000 16.236 6.706) 17.567 5.131 ( 0.000 -17.007 -2.351) 17.168 5.131 ( 0.000 17.007 -2.351) 17.168 5.302 ( 0.000 -2.775 -6.851) 7.392 5.302 ( 0.000 2.775 -6.851) 7.392 5.464 ( 0.000 -12.269 1.700) 12.386 5.464 ( 0.000 12.269 1.700) 12.386 6.047 ( 0.000 -2.105 -2.442) 3.224 6.047 ( 0.000 2.105 -2.442) 3.224 6.256 ( 0.000 -8.273 -2.451) 8.628 6.256 ( 0.000 8.273 -2.451) 8.628 6.613 ( 0.000 -5.653 -1.458) 5.838 6.613 ( 0.000 5.653 -1.458) 5.838 7.094 ( 0.000 -0.747 4.732) 4.790 7.094 ( 0.000 0.747 4.732) 4.790 7.703 ( 0.000 -13.730 -11.284) 17.772 7.703 ( 0.000 13.730 -11.284) 17.772 8.283 ( 0.000 -14.953 -8.899) 17.401 8.283 ( 0.000 14.953 -8.899) 17.401 8.414 ( 0.000 -3.342 -3.081) 4.545 8.414 ( 0.000 3.342 -3.081) 4.545 8.909 ( 0.000 -10.653 -12.836) 16.681 8.909 ( 0.000 10.653 -12.836) 16.681 10.425 ( 0.000 -3.338 -4.031) 5.234 10.425 ( 0.000 3.338 -4.031) 5.234 10.649 ( 0.000 -7.249 4.469) 8.516 10.649 ( 0.000 7.249 4.469) 8.516 11.470 ( 0.000 -1.733 1.857) 2.540 11.470 ( 0.000 1.733 1.857) 2.540 12.259 ( 0.000 -6.354 4.830) 7.982 12.259 ( 0.000 6.354 4.830) 7.982 12.726 ( 0.000 -0.717 5.064) 5.115 12.726 ( 0.000 0.717 5.064) 5.115 13.383 ( 0.000 -2.425 -5.930) 6.407 13.383 ( 0.000 2.425 -5.930) 6.407 19.934 ( 0.000 -0.400 -0.804) 0.898 19.934 ( 0.000 0.400 -0.804) 0.898 20.576 ( 0.000 -4.606 3.870) 6.016 20.576 ( 0.000 4.606 3.870) 6.016 20.873 ( 0.000 -8.213 8.550) 11.856 20.873 ( 0.000 8.213 8.550) 11.856 22.218 ( 0.000 -7.228 -10.045) 12.376 22.218 ( 0.000 7.228 -10.045) 12.376 22.900 ( 0.000 -0.548 1.196) 1.316 22.900 ( 0.000 0.548 1.196) 1.316 23.176 ( 0.000 -4.954 2.877) 5.728 23.176 ( 0.000 4.954 2.877) 5.728 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 10.746 -6.076 4.997) 13.318 1.702 ( 10.746 6.076 4.997) 13.318 2.015 ( 8.345 -6.826 4.918) 11.850 2.015 ( 8.345 6.826 4.918) 11.850 2.964 ( 0.641 -2.224 -3.493) 4.190 2.964 ( 0.641 2.224 -3.493) 4.190 3.271 ( -0.113 -3.558 -1.873) 4.022 3.271 ( -0.113 3.558 -1.873) 4.022 3.566 ( -3.794 -4.528 2.965) 6.610 3.566 ( -3.794 4.528 2.965) 6.610 3.730 ( 4.744 -12.926 13.193) 19.069 3.730 ( 4.744 12.926 13.193) 19.069 4.765 ( -4.160 -14.567 5.355) 16.068 4.765 ( -4.160 14.567 5.355) 16.068 5.131 ( -0.151 -16.323 -2.533) 16.519 5.131 ( -0.151 16.323 -2.533) 16.519 5.301 ( -0.110 -3.963 -6.842) 7.907 5.301 ( -0.110 3.963 -6.842) 7.907 5.486 ( 1.776 -12.671 0.808) 12.820 5.486 ( 1.776 12.671 0.808) 12.820 6.031 ( -2.042 -1.628 -2.870) 3.880 6.031 ( -2.042 1.628 -2.870) 3.880 6.136 ( -11.191 -3.040 -5.519) 12.842 6.136 ( -11.191 3.040 -5.519) 12.842 6.571 ( -1.608 -12.562 -0.130) 12.665 6.571 ( -1.608 12.562 -0.130) 12.665 7.127 ( 1.400 -3.602 7.409) 8.356 7.127 ( 1.400 3.602 7.409) 8.356 7.717 ( 1.331 -11.711 -7.459) 13.948 7.717 ( 1.331 11.711 -7.459) 13.948 8.190 ( -5.393 -12.650 -5.075) 14.659 8.190 ( -5.393 12.650 -5.075) 14.659 8.575 ( 11.775 -3.671 -7.238) 14.301 8.575 ( 11.775 3.671 -7.238) 14.301 8.952 ( 4.022 -9.986 -13.473) 17.246 8.952 ( 4.022 9.986 -13.473) 17.246 10.424 ( -0.063 -4.131 -3.460) 5.389 10.424 ( -0.063 4.131 -3.460) 5.389 10.638 ( -1.109 -7.664 4.321) 8.867 10.638 ( -1.109 7.664 4.321) 8.867 11.487 ( 1.669 -1.753 2.187) 3.262 11.487 ( 1.669 1.753 2.187) 3.262 12.164 ( -7.905 -3.612 6.635) 10.934 12.164 ( -7.905 3.612 6.635) 10.934 12.827 ( 8.466 -4.123 2.118) 9.652 12.827 ( 8.466 4.123 2.118) 9.652 13.380 ( -0.340 -3.674 -6.075) 7.108 13.380 ( -0.340 3.674 -6.075) 7.108 19.970 ( 3.482 -1.962 -1.023) 4.126 19.970 ( 3.482 1.962 -1.023) 4.126 20.554 ( -2.151 -4.429 2.968) 5.749 20.554 ( -2.151 4.429 2.968) 5.749 20.869 ( -0.345 -8.209 8.526) 11.841 20.869 ( -0.345 8.209 8.526) 11.841 22.049 ( -15.216 -4.439 -7.170) 17.397 22.049 ( -15.216 4.439 -7.170) 17.397 22.945 ( 3.485 -5.509 0.461) 6.535 22.945 ( 3.485 5.509 0.461) 6.535 23.183 ( 0.523 -7.164 2.902) 7.747 23.183 ( 0.523 7.164 2.902) 7.747 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 13.429 -13.111 0.777) 18.784 1.950 ( 13.429 13.111 0.777) 18.784 2.246 ( 14.036 -11.892 3.430) 18.714 2.246 ( 14.036 11.892 3.430) 18.714 2.947 ( -2.631 -1.656 -2.756) 4.154 2.947 ( -2.631 1.656 -2.756) 4.154 3.304 ( 2.692 -8.082 -2.091) 8.772 3.304 ( 2.692 8.082 -2.091) 8.772 3.489 ( -2.707 -3.489 2.556) 5.102 3.489 ( -2.707 3.489 2.556) 5.102 3.839 ( 5.998 -10.985 10.926) 16.614 3.839 ( 5.998 10.985 10.926) 16.614 4.654 ( -6.385 -10.099 2.060) 12.124 4.654 ( -6.385 10.099 2.060) 12.124 5.113 ( -2.496 -14.857 -3.195) 15.400 5.113 ( -2.496 14.857 -3.195) 15.400 5.294 ( -0.647 -5.587 -7.359) 9.262 5.294 ( -0.647 5.587 -7.359) 9.262 5.489 ( -3.169 -11.763 -2.775) 12.495 5.489 ( -3.169 11.763 -2.775) 12.495 5.868 ( -9.145 -2.392 -8.366) 12.623 5.868 ( -9.145 2.392 -8.366) 12.623 6.019 ( -2.212 -4.297 -3.327) 5.867 6.019 ( -2.212 4.297 -3.327) 5.867 6.588 ( 3.196 -15.758 4.930) 16.818 6.588 ( 3.196 15.758 4.930) 16.818 7.107 ( -3.556 -6.178 9.187) 11.628 7.107 ( -3.556 6.178 9.187) 11.628 7.757 ( 2.864 -8.891 -0.726) 9.369 7.757 ( 2.864 8.891 -0.726) 9.369 8.096 ( -4.378 -11.865 -0.973) 12.685 8.096 ( -4.378 11.865 -0.973) 12.685 8.812 ( 11.475 -3.293 -10.543) 15.927 8.812 ( 11.475 3.293 -10.543) 15.927 9.044 ( 4.692 -7.584 -13.914) 16.527 9.044 ( 4.692 7.584 -13.914) 16.527 10.427 ( 0.501 -6.002 -1.915) 6.320 10.427 ( 0.501 6.002 -1.915) 6.320 10.605 ( -2.191 -8.468 3.869) 9.564 10.605 ( -2.191 8.468 3.869) 9.564 11.535 ( 3.235 -1.758 3.116) 4.824 11.535 ( 3.235 1.758 3.116) 4.824 11.998 ( -8.403 -1.067 7.893) 11.577 11.998 ( -8.403 1.067 7.893) 11.577 13.005 ( 8.822 -7.760 -1.955) 11.911 13.005 ( 8.822 7.760 -1.955) 11.911 13.367 ( -1.055 -5.872 -6.402) 8.751 13.367 ( -1.055 5.872 -6.402) 8.751 20.064 ( 5.850 -4.353 -1.587) 7.462 20.064 ( 5.850 4.353 -1.587) 7.462 20.496 ( -3.657 -4.063 0.783) 5.522 20.496 ( -3.657 4.063 0.783) 5.522 20.869 ( 0.822 -7.838 8.309) 11.452 20.869 ( 0.822 7.838 8.309) 11.452 21.698 ( -18.933 -2.487 -2.575) 19.268 21.698 ( -18.933 2.487 -2.575) 19.268 23.011 ( 3.129 -6.720 0.543) 7.433 23.011 ( 3.129 6.720 0.543) 7.433 23.186 ( -0.420 -9.471 2.915) 9.918 23.186 ( -0.420 9.471 2.915) 9.918 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 12.680 -13.376 -0.230) 18.432 2.210 ( 12.680 13.376 -0.230) 18.432 2.479 ( 6.225 -11.782 0.664) 13.342 2.479 ( 6.225 11.782 0.664) 13.342 2.909 ( 1.601 -8.430 -0.780) 8.616 2.909 ( 1.601 8.430 -0.780) 8.616 3.250 ( -8.032 -11.376 0.726) 13.944 3.250 ( -8.032 11.376 0.726) 13.944 3.574 ( 10.434 -2.805 -1.016) 10.852 3.574 ( 10.434 2.805 -1.016) 10.852 3.919 ( 0.061 -3.000 6.050) 6.753 3.919 ( 0.061 3.000 6.050) 6.753 4.571 ( 0.250 -2.725 -1.640) 3.190 4.571 ( 0.250 2.725 -1.640) 3.190 4.976 ( -12.037 -9.582 -5.877) 16.470 4.976 ( -12.037 9.582 -5.877) 16.470 5.285 ( 0.209 -9.009 -6.766) 11.269 5.285 ( 0.209 9.009 -6.766) 11.269 5.378 ( -5.228 -6.082 -6.563) 10.363 5.378 ( -5.228 6.082 -6.563) 10.363 5.817 ( 2.141 -4.735 -5.166) 7.328 5.817 ( 2.141 4.735 -5.166) 7.328 5.965 ( -3.448 -3.109 -4.707) 6.611 5.965 ( -3.448 3.109 -4.707) 6.611 6.690 ( 6.911 -12.569 9.396) 17.147 6.690 ( 6.911 12.569 9.396) 17.147 6.998 ( -7.059 -7.262 10.263) 14.419 6.998 ( -7.059 7.262 10.263) 14.419 7.829 ( 4.275 -7.917 3.239) 9.563 7.829 ( 4.275 7.917 3.239) 9.563 8.010 ( -4.475 -9.996 2.452) 11.223 8.010 ( -4.475 9.996 2.452) 11.223 9.003 ( 7.602 -2.292 -12.330) 14.666 9.003 ( 7.602 2.292 -12.330) 14.666 9.114 ( 1.877 -4.406 -13.544) 14.366 9.114 ( 1.877 4.406 -13.544) 14.366 10.448 ( 1.772 -7.934 0.071) 8.130 10.448 ( 1.772 7.934 0.071) 8.130 10.554 ( -2.948 -9.042 3.075) 9.995 10.554 ( -2.948 9.042 3.075) 9.995 11.613 ( 4.591 -1.699 4.500) 6.649 11.613 ( 4.591 1.699 4.500) 6.649 11.844 ( -7.194 -1.053 7.468) 10.423 11.844 ( -7.194 1.053 7.468) 10.423 13.160 ( 6.776 -9.438 -4.800) 12.571 13.160 ( 6.776 9.438 -4.800) 12.571 13.335 ( -2.385 -7.924 -6.603) 10.587 13.335 ( -2.385 7.924 -6.603) 10.587 20.188 ( 6.416 -6.147 -2.151) 9.142 20.188 ( 6.416 6.147 -2.151) 9.142 20.413 ( -4.790 -4.461 -1.270) 6.667 20.413 ( -4.790 4.461 -1.270) 6.667 20.921 ( 4.925 -5.987 7.216) 10.592 20.921 ( 4.925 5.987 7.216) 10.592 21.345 ( -16.224 -2.049 1.467) 16.418 21.345 ( -16.224 2.049 1.467) 16.418 23.069 ( 2.807 -7.457 1.306) 8.074 23.069 ( 2.807 7.457 1.306) 8.074 23.164 ( -1.726 -9.592 2.698) 10.113 23.164 ( -1.726 9.592 2.698) 10.113 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 2.431 ( -8.761 -10.944 -0.346) 14.023 2.431 ( 8.558 -10.903 -0.346) 13.865 2.431 ( -8.558 10.903 -0.346) 13.865 2.431 ( 8.761 10.944 -0.346) 14.023 3.055 ( -10.578 -12.292 0.844) 16.239 3.055 ( 10.043 -12.179 0.844) 15.808 3.055 ( -10.043 12.179 0.844) 15.808 3.055 ( 10.578 12.292 0.844) 16.239 3.801 ( -10.594 -4.757 0.278) 11.617 3.801 ( -4.735 0.422 0.278) 4.762 3.801 ( 4.735 -0.422 0.278) 4.762 3.801 ( 10.594 4.757 0.278) 11.617 4.709 ( -9.281 -13.095 -4.874) 16.774 4.709 ( 0.690 -12.250 -4.874) 13.202 4.709 ( -0.690 12.250 -4.874) 13.202 4.709 ( 9.281 13.095 -4.874) 16.774 5.310 ( -2.147 -10.345 -6.200) 12.251 5.310 ( 2.110 -10.343 -6.200) 12.243 5.310 ( -2.110 10.343 -6.200) 12.243 5.310 ( 2.147 10.345 -6.200) 12.251 5.887 ( -2.405 -5.812 -5.052) 8.068 5.887 ( -0.183 -5.687 -5.052) 7.609 5.887 ( 0.183 5.687 -5.052) 7.609 5.887 ( 2.405 5.812 -5.052) 8.068 6.844 ( -8.056 -9.202 10.883) 16.371 6.844 ( 7.039 -8.991 10.883) 15.774 6.844 ( -7.039 8.991 10.883) 15.774 6.844 ( 8.056 9.202 10.883) 16.371 7.919 ( -4.725 -8.478 4.023) 10.507 7.919 ( 4.714 -8.477 4.023) 10.500 7.919 ( -4.714 8.477 4.023) 10.500 7.919 ( 4.725 8.478 4.023) 10.507 9.106 ( -1.750 -5.220 -13.063) 14.176 9.106 ( 0.589 -5.155 -13.063) 14.055 9.106 ( -0.589 5.155 -13.063) 14.055 9.106 ( 1.750 5.220 -13.063) 14.176 10.495 ( -2.166 -12.688 1.833) 13.001 10.495 ( 1.841 -12.675 1.833) 12.938 10.495 ( -1.841 12.675 1.833) 12.938 10.495 ( 2.166 12.688 1.833) 13.001 11.715 ( -3.408 -5.914 6.099) 9.154 11.715 ( -1.296 -5.700 6.099) 8.448 11.715 ( 1.296 5.700 6.099) 8.448 11.715 ( 3.408 5.914 6.099) 9.154 13.269 ( -3.846 -11.147 -6.233) 13.338 13.269 ( 3.293 -11.103 -6.233) 13.151 13.269 ( -3.293 11.103 -6.233) 13.151 13.269 ( 3.846 11.147 -6.233) 13.338 20.308 ( -5.394 -6.584 -2.188) 8.788 20.308 ( 3.880 -6.312 -2.188) 7.725 20.308 ( -3.880 6.312 -2.188) 7.725 20.308 ( 5.394 6.584 -2.188) 8.788 21.076 ( -10.829 -2.166 4.784) 12.035 21.076 ( -10.581 1.834 4.784) 11.757 21.076 ( 10.581 -1.834 4.784) 11.757 21.076 ( 10.829 2.166 4.784) 12.035 23.122 ( -2.214 -9.993 2.120) 10.452 23.122 ( 2.043 -9.983 2.120) 10.408 23.122 ( -2.043 9.983 2.120) 10.408 23.122 ( 2.214 9.993 2.120) 10.452 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 1.650 ( 0.000 0.000 22.305) 22.305 2.250 ( 0.000 0.000 29.231) 29.231 2.334 ( 0.000 0.000 -15.990) 15.990 2.538 ( 0.000 0.000 -5.774) 5.774 2.691 ( 0.000 0.000 -18.986) 18.986 3.199 ( 0.000 0.000 14.668) 14.668 3.256 ( 0.000 0.000 4.171) 4.171 3.320 ( 0.000 0.000 33.999) 33.999 3.412 ( 0.000 0.000 -10.776) 10.776 3.496 ( 0.000 0.000 0.506) 0.506 3.575 ( 0.000 0.000 -14.004) 14.004 3.905 ( 0.000 0.000 16.300) 16.300 4.004 ( 0.000 0.000 2.623) 2.623 4.217 ( 0.000 0.000 -0.398) 0.398 4.455 ( 0.000 0.000 -9.195) 9.195 4.485 ( 0.000 0.000 1.415) 1.415 5.229 ( 0.000 0.000 13.890) 13.890 5.277 ( 0.000 0.000 7.555) 7.555 5.515 ( 0.000 0.000 -4.819) 4.819 5.792 ( 0.000 0.000 2.340) 2.340 5.936 ( 0.000 0.000 -4.937) 4.937 6.322 ( 0.000 0.000 -18.482) 18.482 6.360 ( 0.000 0.000 -0.893) 0.893 6.457 ( 0.000 0.000 -16.954) 16.954 6.726 ( 0.000 0.000 -15.621) 15.621 6.875 ( 0.000 0.000 -1.878) 1.878 7.131 ( 0.000 0.000 4.516) 4.516 7.187 ( 0.000 0.000 4.326) 4.326 7.424 ( 0.000 0.000 -6.495) 6.495 7.546 ( 0.000 0.000 -1.950) 1.950 8.234 ( 0.000 0.000 0.238) 0.238 8.296 ( 0.000 0.000 6.566) 6.566 8.552 ( 0.000 0.000 0.411) 0.411 8.559 ( 0.000 0.000 0.646) 0.646 8.669 ( 0.000 0.000 -8.917) 8.917 8.911 ( 0.000 0.000 -21.602) 21.602 10.051 ( 0.000 0.000 -5.323) 5.323 10.062 ( 0.000 0.000 -7.098) 7.098 11.052 ( 0.000 0.000 2.979) 2.979 11.076 ( 0.000 0.000 3.485) 3.485 11.439 ( 0.000 0.000 1.814) 1.814 11.477 ( 0.000 0.000 0.332) 0.332 12.082 ( 0.000 0.000 8.024) 8.024 12.234 ( 0.000 0.000 4.882) 4.882 12.846 ( 0.000 0.000 5.552) 5.552 12.859 ( 0.000 0.000 7.011) 7.011 13.318 ( 0.000 0.000 -8.553) 8.553 13.334 ( 0.000 0.000 -8.924) 8.924 19.686 ( 0.000 0.000 2.088) 2.088 19.804 ( 0.000 0.000 -1.598) 1.598 20.492 ( 0.000 0.000 15.887) 15.887 20.594 ( 0.000 0.000 0.985) 0.985 20.647 ( 0.000 0.000 0.415) 0.415 21.606 ( 0.000 0.000 16.622) 16.622 21.653 ( 0.000 0.000 -18.267) 18.267 22.414 ( 0.000 0.000 -7.247) 7.247 22.937 ( 0.000 0.000 1.575) 1.575 22.998 ( 0.000 0.000 -1.280) 1.280 23.131 ( 0.000 0.000 5.295) 5.295 23.395 ( 0.000 0.000 -3.368) 3.368 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 9.268 0.000 20.758) 22.733 2.113 ( -7.198 0.000 9.063) 11.573 2.511 ( 11.203 0.000 4.303) 12.001 2.596 ( 5.702 0.000 -6.044) 8.309 2.628 ( -5.913 0.000 -18.881) 19.785 3.150 ( -0.415 0.000 15.139) 15.145 3.320 ( 0.438 0.000 28.885) 28.889 3.408 ( 8.965 0.000 3.534) 9.636 3.431 ( 1.658 0.000 -9.491) 9.635 3.504 ( 2.111 0.000 1.177) 2.417 3.578 ( 0.184 0.000 -11.961) 11.963 3.866 ( -3.997 0.000 15.351) 15.863 3.975 ( -2.886 0.000 4.049) 4.972 4.229 ( 0.594 0.000 -3.419) 3.471 4.429 ( -2.564 0.000 -8.452) 8.833 4.471 ( -0.874 0.000 2.047) 2.225 5.115 ( -11.910 0.000 0.218) 11.912 5.144 ( -7.555 0.000 2.429) 7.935 5.569 ( 3.674 0.000 2.248) 4.307 5.633 ( -16.709 0.000 -8.692) 18.835 6.094 ( -15.792 0.000 -17.116) 23.288 6.120 ( 17.183 0.000 5.522) 18.049 6.358 ( -0.117 0.000 0.242) 0.269 6.509 ( 0.185 0.000 -12.299) 12.301 6.550 ( -7.402 0.000 -5.147) 9.016 7.119 ( 11.473 0.000 0.380) 11.479 7.179 ( 3.897 0.000 4.628) 6.050 7.261 ( 7.137 0.000 2.424) 7.537 7.417 ( 0.619 0.000 -5.285) 5.321 7.610 ( 5.292 0.000 -7.457) 9.144 8.168 ( -5.274 0.000 1.224) 5.414 8.327 ( 4.038 0.000 5.524) 6.843 8.473 ( -6.380 0.000 -1.608) 6.579 8.654 ( 7.325 0.000 -1.220) 7.425 8.730 ( 5.271 0.000 -8.218) 9.763 8.953 ( 3.385 0.000 -18.835) 19.137 10.021 ( -2.702 0.000 -4.471) 5.224 10.039 ( -2.390 0.000 -6.369) 6.803 11.025 ( -0.955 0.000 4.883) 4.976 11.116 ( 2.056 0.000 2.651) 3.355 11.444 ( 0.443 0.000 1.621) 1.681 11.478 ( 0.104 0.000 0.301) 0.318 12.089 ( 0.767 0.000 8.010) 8.047 12.232 ( -0.242 0.000 5.046) 5.052 12.778 ( -2.711 0.000 7.054) 7.557 12.932 ( 2.921 0.000 2.754) 4.014 13.299 ( -0.227 0.000 -8.732) 8.735 13.369 ( 2.093 0.000 -10.324) 10.534 19.707 ( 2.405 0.000 2.734) 3.641 19.883 ( 7.634 0.000 -2.454) 8.019 20.460 ( -3.245 0.000 15.387) 15.726 20.579 ( -1.428 0.000 0.939) 1.709 20.628 ( -1.857 0.000 0.557) 1.939 21.553 ( -5.044 0.000 15.259) 16.071 21.583 ( -6.998 0.000 -17.655) 18.991 22.239 ( -17.690 0.000 -3.617) 18.056 22.811 ( -5.213 0.000 6.083) 8.011 22.964 ( -1.016 0.000 0.632) 1.196 23.240 ( 5.684 0.000 1.919) 5.999 23.511 ( 8.088 0.000 -5.277) 9.657 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 16.218 0.000 17.432) 23.810 2.010 ( -2.925 0.000 4.091) 5.029 2.467 ( -9.320 0.000 -15.766) 18.315 2.749 ( 12.107 0.000 9.131) 15.164 2.752 ( 9.725 0.000 -6.241) 11.555 3.197 ( 4.790 0.000 13.303) 14.139 3.351 ( 2.563 0.000 17.999) 18.180 3.445 ( -1.643 0.000 6.086) 6.304 3.450 ( -1.432 0.000 -4.820) 5.028 3.557 ( -3.390 0.000 -5.097) 6.121 3.700 ( 13.836 0.000 -1.283) 13.895 3.771 ( -4.028 0.000 4.528) 6.061 3.898 ( -4.136 0.000 6.551) 7.748 4.191 ( -5.530 0.000 -8.751) 10.352 4.355 ( -4.950 0.000 -4.707) 6.830 4.494 ( 3.750 0.000 1.628) 4.088 4.910 ( -7.882 0.000 -8.406) 11.523 4.961 ( -10.492 0.000 -11.168) 15.324 5.274 ( -17.404 0.000 -14.038) 22.360 5.527 ( -11.571 0.000 -7.153) 13.604 5.894 ( -0.094 0.000 0.309) 0.323 6.345 ( 0.175 0.000 -0.216) 0.278 6.438 ( -0.814 0.000 0.064) 0.817 6.455 ( -5.012 0.000 -6.383) 8.116 6.512 ( 15.925 0.000 12.343) 20.149 7.227 ( 0.755 0.000 8.996) 9.027 7.273 ( 5.573 0.000 5.489) 7.822 7.419 ( 7.673 0.000 1.791) 7.880 7.472 ( 4.172 0.000 -2.933) 5.100 7.699 ( 2.625 0.000 -8.292) 8.698 8.065 ( -4.669 0.000 1.093) 4.795 8.327 ( -7.888 0.000 -3.102) 8.476 8.476 ( 10.536 0.000 1.051) 10.588 8.807 ( 7.621 0.000 -4.164) 8.684 8.836 ( 4.653 0.000 -6.937) 8.353 9.015 ( 2.514 0.000 -15.283) 15.488 9.958 ( -3.351 0.000 -2.719) 4.315 9.976 ( -3.627 0.000 -4.855) 6.061 11.025 ( 0.928 0.000 6.117) 6.187 11.139 ( 0.232 0.000 3.798) 3.805 11.455 ( 0.625 0.000 1.197) 1.350 11.480 ( 0.085 0.000 0.250) 0.264 12.111 ( 1.426 0.000 7.880) 8.008 12.223 ( -0.646 0.000 5.507) 5.544 12.750 ( -0.107 0.000 5.216) 5.217 12.948 ( -1.310 0.000 0.155) 1.319 13.322 ( 2.319 0.000 -11.152) 11.390 13.405 ( 1.450 0.000 -12.522) 12.606 19.784 ( 5.366 0.000 4.302) 6.877 20.090 ( 13.123 0.000 -4.630) 13.915 20.368 ( -5.888 0.000 14.023) 15.209 20.545 ( -1.771 0.000 1.004) 2.036 20.583 ( -2.389 0.000 0.866) 2.541 21.385 ( -12.888 0.000 -15.916) 20.480 21.431 ( -6.555 0.000 12.337) 13.970 21.829 ( -20.865 0.000 4.746) 21.398 22.784 ( 1.162 0.000 4.959) 5.093 22.943 ( -1.158 0.000 0.874) 1.451 23.350 ( 5.632 0.000 2.002) 5.977 23.621 ( 2.638 0.000 -4.925) 5.587 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 2.590 0.000 -0.686) 2.680 2.276 ( -9.606 0.000 -11.644) 15.095 2.368 ( 20.877 0.000 13.969) 25.119 2.953 ( 8.860 0.000 -5.279) 10.314 2.978 ( 10.766 0.000 14.784) 18.288 3.258 ( -14.661 0.000 13.855) 20.172 3.269 ( -1.152 0.000 15.324) 15.367 3.379 ( -2.773 0.000 1.352) 3.085 3.463 ( 7.123 0.000 -0.183) 7.126 3.529 ( 1.854 0.000 -9.635) 9.812 3.691 ( -5.136 0.000 -8.660) 10.068 3.905 ( 5.790 0.000 8.455) 10.248 3.921 ( -0.675 0.000 3.594) 3.657 4.076 ( 3.459 0.000 -17.926) 18.256 4.233 ( -7.506 0.000 1.190) 7.600 4.541 ( -4.150 0.000 -3.147) 5.208 4.805 ( -0.458 0.000 -16.696) 16.703 4.817 ( -1.646 0.000 -12.916) 13.021 4.992 ( -10.993 0.000 -14.533) 18.223 5.228 ( -15.597 0.000 -11.845) 19.585 6.001 ( 8.042 0.000 7.126) 10.745 6.329 ( -7.513 0.000 -1.097) 7.593 6.346 ( 0.301 0.000 1.369) 1.401 6.391 ( -2.086 0.000 1.334) 2.477 6.845 ( 15.069 0.000 14.017) 20.581 7.198 ( -3.460 0.000 11.334) 11.850 7.391 ( 6.221 0.000 6.611) 9.078 7.525 ( 2.304 0.000 4.796) 5.321 7.555 ( 4.234 0.000 0.028) 4.234 7.703 ( -1.932 0.000 -3.234) 3.767 8.007 ( -0.589 0.000 -1.609) 1.714 8.176 ( -7.252 0.000 -3.744) 8.162 8.692 ( 10.148 0.000 -2.914) 10.558 8.890 ( 0.481 0.000 -5.719) 5.739 8.939 ( 5.490 0.000 -6.922) 8.834 9.043 ( 0.175 0.000 -12.284) 12.285 9.901 ( -2.186 0.000 -1.690) 2.763 9.911 ( -2.684 0.000 -3.178) 4.160 11.055 ( 1.928 0.000 6.537) 6.815 11.127 ( -1.258 0.000 5.382) 5.527 11.467 ( 0.558 0.000 0.778) 0.957 11.480 ( -0.100 0.000 0.282) 0.299 12.143 ( 1.756 0.000 7.503) 7.706 12.205 ( -1.181 0.000 6.169) 6.281 12.771 ( 2.057 0.000 2.778) 3.456 12.896 ( -3.480 0.000 -0.091) 3.481 13.373 ( 2.495 0.000 -13.947) 14.169 13.422 ( 0.205 0.000 -14.442) 14.443 19.912 ( 7.445 0.000 6.450) 9.851 20.227 ( -7.391 0.000 10.728) 13.028 20.394 ( 16.524 0.000 -6.322) 17.693 20.518 ( -0.783 0.000 1.359) 1.569 20.542 ( -1.716 0.000 1.170) 2.078 21.089 ( -16.781 0.000 -13.312) 21.420 21.325 ( -3.518 0.000 9.801) 10.413 21.486 ( -13.164 0.000 8.040) 15.425 22.825 ( 2.604 0.000 3.717) 4.538 22.916 ( -1.663 0.000 1.675) 2.360 23.459 ( 5.337 0.000 1.193) 5.469 23.623 ( -2.050 0.000 -2.782) 3.456 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -7.260 0.000 -6.273) 9.595 2.106 ( 7.260 0.000 -6.273) 9.595 2.792 ( -20.971 0.000 10.624) 23.509 2.792 ( 20.971 0.000 10.624) 23.509 3.163 ( -7.924 0.000 17.277) 19.007 3.163 ( 7.924 0.000 17.277) 19.007 3.241 ( -9.364 0.000 -0.293) 9.368 3.241 ( 9.364 0.000 -0.293) 9.368 3.598 ( -4.254 0.000 -11.546) 12.305 3.598 ( 4.254 0.000 -11.546) 12.305 3.698 ( -14.205 0.000 -4.505) 14.902 3.698 ( 14.205 0.000 -4.505) 14.902 4.065 ( -9.140 0.000 6.282) 11.091 4.065 ( 9.140 0.000 6.282) 11.091 4.321 ( -14.309 0.000 -11.226) 18.187 4.321 ( 14.309 0.000 -11.226) 18.187 4.843 ( -4.289 0.000 -14.052) 14.692 4.843 ( 4.289 0.000 -14.052) 14.692 4.954 ( -11.973 0.000 -11.888) 16.872 4.954 ( 11.973 0.000 -11.888) 16.872 6.168 ( -8.604 0.000 3.908) 9.450 6.168 ( 8.604 0.000 3.908) 9.450 6.360 ( -1.134 0.000 1.856) 2.175 6.360 ( 1.134 0.000 1.856) 2.175 7.081 ( -8.805 0.000 13.218) 15.882 7.081 ( 8.805 0.000 13.218) 15.882 7.500 ( -4.199 0.000 7.112) 8.259 7.500 ( 4.199 0.000 7.112) 8.259 7.639 ( -4.127 0.000 -0.132) 4.129 7.639 ( 4.127 0.000 -0.132) 4.129 8.053 ( -4.853 0.000 -3.819) 6.175 8.053 ( 4.853 0.000 -3.819) 6.175 8.846 ( -5.145 0.000 -4.663) 6.944 8.846 ( 5.145 0.000 -4.663) 6.944 9.019 ( -2.632 0.000 -9.558) 9.913 9.019 ( 2.632 0.000 -9.558) 9.913 9.880 ( -0.241 0.000 -1.925) 1.940 9.880 ( 0.241 0.000 -1.925) 1.940 11.095 ( -1.956 0.000 6.317) 6.613 11.095 ( 1.956 0.000 6.317) 6.613 11.476 ( -0.354 0.000 0.462) 0.582 11.476 ( 0.354 0.000 0.462) 0.582 12.177 ( -1.635 0.000 6.889) 7.080 12.177 ( 1.635 0.000 6.889) 7.080 12.826 ( -3.408 0.000 0.910) 3.527 12.826 ( 3.408 0.000 0.910) 3.527 13.411 ( -1.291 0.000 -15.094) 15.149 13.411 ( 1.291 0.000 -15.094) 15.149 20.069 ( -8.254 0.000 8.895) 12.135 20.069 ( 8.254 0.000 8.895) 12.135 20.518 ( -0.674 0.000 1.469) 1.616 20.518 ( 0.674 0.000 1.469) 1.616 20.741 ( -18.141 0.000 -10.171) 20.798 20.741 ( 18.141 0.000 -10.171) 20.798 21.321 ( -3.737 0.000 8.641) 9.415 21.321 ( 3.737 0.000 8.641) 9.415 22.876 ( -2.395 0.000 2.690) 3.601 22.876 ( 2.395 0.000 2.690) 3.601 23.556 ( -4.397 0.000 -0.549) 4.431 23.556 ( 4.397 0.000 -0.549) 4.431 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 2.027 19.832) 19.935 2.115 ( 0.000 -11.029 30.446) 32.382 2.291 ( 0.000 -5.240 -11.506) 12.643 2.496 ( 0.000 -4.768 -2.855) 5.558 2.779 ( 0.000 7.444 -16.518) 18.118 3.049 ( 0.000 -8.195 7.964) 11.427 3.071 ( 0.000 -7.606 1.012) 7.673 3.474 ( 0.000 10.888 27.647) 29.714 3.492 ( 0.000 -0.541 3.395) 3.438 3.602 ( 0.000 2.445 1.032) 2.654 3.604 ( 0.000 0.999 -10.461) 10.509 3.851 ( 0.000 3.982 -2.402) 4.651 4.184 ( 0.000 16.619 4.832) 17.307 4.404 ( 0.000 13.584 5.453) 14.637 4.556 ( 0.000 10.837 -9.564) 14.454 4.625 ( 0.000 12.606 1.453) 12.689 5.211 ( 0.000 -0.485 11.426) 11.436 5.305 ( 0.000 1.486 9.281) 9.399 5.499 ( 0.000 -2.008 -6.038) 6.364 5.815 ( 0.000 2.354 3.122) 3.910 5.950 ( 0.000 1.110 -4.892) 5.016 6.156 ( 0.000 -9.135 -9.733) 13.349 6.436 ( 0.000 -0.220 -6.354) 6.358 6.475 ( 0.000 -2.819 -9.419) 9.832 6.732 ( 0.000 0.162 -12.990) 12.991 6.756 ( 0.000 -6.826 -11.912) 13.729 7.074 ( 0.000 -6.361 0.846) 6.417 7.129 ( 0.000 -4.805 0.941) 4.896 7.366 ( 0.000 -3.936 0.429) 3.959 7.571 ( 0.000 3.318 -3.311) 4.687 8.134 ( 0.000 -8.872 -1.334) 8.972 8.332 ( 0.000 2.534 6.306) 6.796 8.501 ( 0.000 -4.888 -2.201) 5.361 8.584 ( 0.000 2.424 -0.098) 2.426 8.643 ( 0.000 -3.572 -6.177) 7.135 8.857 ( 0.000 -4.116 -19.043) 19.483 10.112 ( 0.000 4.717 -5.728) 7.420 10.121 ( 0.000 6.601 -4.594) 8.042 10.949 ( 0.000 -9.629 5.346) 11.014 11.002 ( 0.000 -4.848 2.531) 5.469 11.452 ( 0.000 1.130 2.027) 2.321 11.521 ( 0.000 2.234 -0.108) 2.236 12.125 ( 0.000 4.095 7.092) 8.189 12.287 ( 0.000 4.324 2.558) 5.024 12.844 ( 0.000 -0.092 5.576) 5.577 12.852 ( 0.000 -0.575 7.027) 7.050 13.291 ( 0.000 -2.247 -7.603) 7.928 13.319 ( 0.000 -1.400 -8.662) 8.774 19.763 ( 0.000 6.447 0.603) 6.475 19.833 ( 0.000 2.616 -1.188) 2.873 20.509 ( 0.000 1.886 11.929) 12.077 20.609 ( 0.000 1.275 0.898) 1.559 20.707 ( 0.000 5.675 3.849) 6.857 21.527 ( 0.000 -6.776 13.836) 15.406 21.699 ( 0.000 3.649 -15.198) 15.630 22.359 ( 0.000 -5.509 -8.070) 9.771 22.936 ( 0.000 -0.107 1.535) 1.539 22.974 ( 0.000 -1.936 -0.443) 1.986 23.137 ( 0.000 0.718 4.766) 4.820 23.364 ( 0.000 -2.839 -2.390) 3.711 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 7.192 0.467 19.014) 20.334 2.091 ( -0.773 -2.950 16.863) 17.137 2.369 ( 6.798 -10.378 2.150) 12.591 2.582 ( 7.773 -3.406 -5.797) 10.278 2.727 ( -4.627 8.268 -15.606) 18.256 3.030 ( -0.872 -9.220 8.441) 12.531 3.135 ( 5.238 -7.156 0.228) 8.872 3.458 ( -0.110 2.267 14.108) 14.290 3.533 ( 2.353 5.882 16.154) 17.352 3.592 ( -0.915 1.264 -4.064) 4.353 3.619 ( 1.225 0.866 -2.047) 2.538 3.867 ( 1.248 5.818 -4.187) 7.276 4.157 ( -2.329 16.300 3.519) 16.838 4.381 ( -2.802 12.815 3.437) 13.561 4.540 ( -1.883 12.333 -8.282) 14.974 4.621 ( 0.255 12.516 2.020) 12.680 5.075 ( -11.344 -1.530 2.900) 11.809 5.188 ( -8.210 2.149 -0.798) 8.524 5.559 ( 1.565 -0.527 0.206) 1.665 5.683 ( -12.990 3.958 -6.551) 15.077 5.989 ( -5.983 -7.547 -10.703) 14.398 6.171 ( 9.309 0.751 2.206) 9.596 6.295 ( -6.205 -4.168 -4.591) 8.772 6.471 ( -5.018 -8.308 -0.463) 9.716 6.482 ( -4.516 -4.667 -9.419) 11.442 7.101 ( 6.518 -2.086 -0.011) 6.844 7.133 ( 12.162 -2.822 -2.016) 12.646 7.231 ( 8.164 -2.753 0.406) 8.626 7.367 ( 1.312 -4.429 -2.895) 5.452 7.614 ( 3.821 2.211 -5.254) 6.863 8.094 ( -3.415 -7.341 -0.199) 8.099 8.339 ( 1.369 1.122 4.736) 5.056 8.477 ( -3.339 -1.115 -3.894) 5.249 8.617 ( 5.192 -1.650 -1.723) 5.714 8.726 ( 6.673 -1.556 -5.484) 8.776 8.901 ( 3.558 -4.193 -17.033) 17.899 10.092 ( -1.917 5.224 -5.142) 7.577 10.102 ( -1.868 7.322 -3.940) 8.522 10.940 ( -0.298 -8.050 5.701) 9.869 11.023 ( 1.478 -6.680 2.549) 7.301 11.460 ( 0.857 1.449 1.862) 2.510 11.526 ( 0.439 2.761 -0.027) 2.796 12.122 ( -0.272 3.056 7.217) 7.842 12.261 ( -2.421 2.306 3.978) 5.196 12.794 ( -1.371 1.571 6.364) 6.697 12.931 ( 3.715 -0.158 2.736) 4.616 13.272 ( -0.658 -2.329 -7.822) 8.187 13.347 ( 1.762 -2.013 -9.595) 9.961 19.778 ( 1.978 5.935 1.358) 6.402 19.908 ( 7.045 2.263 -2.143) 7.704 20.475 ( -3.297 1.836 11.530) 12.132 20.591 ( -1.705 1.028 0.845) 2.163 20.691 ( -1.504 5.962 3.779) 7.218 21.478 ( -4.628 -6.188 12.067) 14.329 21.626 ( -7.206 3.157 -13.938) 16.005 22.187 ( -16.685 -5.066 -4.433) 17.992 22.835 ( -3.727 2.276 5.173) 6.770 22.976 ( -0.468 1.121 0.320) 1.257 23.215 ( 4.831 -2.208 2.383) 5.822 23.461 ( 6.971 -4.640 -3.983) 9.273 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 8.547 -2.033 14.520) 16.971 2.144 ( 7.502 6.181 9.632) 13.684 2.500 ( 1.769 -6.171 -0.508) 6.440 2.627 ( 0.680 2.736 -4.819) 5.583 2.785 ( 10.404 -0.257 -5.473) 11.759 3.027 ( 0.670 -13.241 5.417) 14.322 3.257 ( 6.383 -5.880 -0.591) 8.699 3.463 ( 0.222 -3.533 8.813) 9.497 3.524 ( -3.495 1.293 8.024) 8.847 3.596 ( 0.493 8.477 2.998) 9.005 3.665 ( 4.613 1.188 5.394) 7.197 3.864 ( -2.688 7.831 0.356) 8.287 4.131 ( 1.122 13.146 -6.726) 14.809 4.279 ( -7.573 11.575 1.729) 13.940 4.468 ( -5.408 14.596 -5.811) 16.616 4.656 ( 2.987 12.212 1.667) 12.682 4.862 ( -9.093 -2.372 -6.928) 11.675 5.022 ( -8.247 3.740 -12.525) 15.456 5.292 ( -17.440 1.677 -13.891) 22.359 5.564 ( -13.108 3.282 -9.278) 16.391 5.829 ( 1.241 -6.684 0.994) 6.870 6.233 ( -1.377 -9.280 -1.254) 9.465 6.350 ( -1.604 -8.443 0.285) 8.599 6.399 ( -5.145 -7.333 -3.527) 9.627 6.514 ( 15.680 0.438 12.859) 20.283 7.183 ( 3.050 -5.025 5.918) 8.341 7.256 ( 1.692 -1.109 8.601) 8.836 7.405 ( 6.988 -1.501 0.338) 7.155 7.460 ( 7.044 -0.998 -5.065) 8.733 7.690 ( 3.169 1.246 -5.584) 6.540 8.028 ( -2.743 -3.970 0.621) 4.866 8.308 ( -5.686 -1.759 -2.575) 6.485 8.512 ( 8.168 2.921 -1.450) 8.795 8.740 ( 6.314 -3.769 -4.930) 8.853 8.859 ( 6.127 -0.243 -5.596) 8.302 8.968 ( 2.926 -3.897 -14.453) 15.253 10.044 ( -2.710 6.462 -3.681) 7.916 10.056 ( -2.524 8.949 -2.621) 9.661 10.947 ( 1.006 -7.440 6.064) 9.651 11.043 ( 0.391 -7.748 3.176) 8.383 11.483 ( 1.306 2.397 1.501) 3.115 11.534 ( 0.362 4.013 0.272) 4.039 12.117 ( -0.215 0.365 7.392) 7.404 12.206 ( -2.869 -1.573 5.924) 6.767 12.792 ( 0.985 3.780 4.123) 5.680 12.969 ( -0.130 1.982 -0.412) 2.029 13.285 ( 1.926 -3.433 -9.751) 10.515 13.376 ( 1.117 -2.648 -11.349) 11.707 19.845 ( 4.762 5.248 2.863) 7.643 20.093 ( 11.368 0.175 -4.096) 12.085 20.384 ( -5.836 1.830 10.403) 12.068 20.549 ( -2.336 0.227 0.799) 2.479 20.659 ( -1.421 6.948 3.454) 7.889 21.359 ( -7.613 -3.674 3.307) 9.077 21.436 ( -10.774 1.650 -5.917) 12.402 21.803 ( -19.747 -2.629 2.983) 20.143 22.820 ( 1.267 3.511 4.573) 5.903 22.963 ( -0.850 1.983 0.835) 2.314 23.312 ( 5.032 -3.619 2.173) 6.568 23.559 ( 2.413 -5.936 -3.903) 7.503 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 6.723 4.057 4.597) 9.099 2.341 ( -0.320 4.149 0.630) 4.209 2.444 ( 8.824 8.041 2.083) 12.119 2.774 ( 8.734 -11.753 10.738) 18.159 2.952 ( 3.909 -1.093 -3.788) 5.552 3.042 ( -1.103 -12.298 4.812) 13.252 3.292 ( -1.784 -7.303 2.460) 7.910 3.494 ( 0.693 2.773 3.249) 4.328 3.506 ( 5.055 3.842 -0.651) 6.383 3.584 ( -1.363 0.201 -4.427) 4.636 3.683 ( -4.864 9.133 7.384) 12.712 3.872 ( 7.761 5.227 6.962) 11.663 4.076 ( -11.328 4.622 -2.764) 12.543 4.202 ( 0.777 8.587 -4.421) 9.690 4.356 ( -2.761 17.137 -9.613) 19.842 4.639 ( -7.536 6.240 -6.215) 11.591 4.796 ( 3.891 2.270 -8.407) 9.538 4.901 ( -2.739 5.523 -17.453) 18.510 5.015 ( -9.984 2.786 -14.149) 17.540 5.252 ( -15.213 2.239 -10.902) 18.850 5.945 ( 7.581 -5.526 6.522) 11.426 6.203 ( -2.802 -10.020 0.161) 10.406 6.297 ( -3.813 -6.839 -0.184) 7.832 6.304 ( -2.405 -8.496 1.311) 8.926 6.827 ( 14.447 -1.348 14.695) 20.651 7.175 ( -3.327 -2.042 11.311) 11.966 7.323 ( 4.571 -6.240 6.714) 10.242 7.460 ( -0.614 -6.196 2.652) 6.767 7.600 ( 6.269 3.979 0.791) 7.467 7.726 ( 0.343 3.104 -1.217) 3.351 8.004 ( 0.783 -0.611 -1.295) 1.632 8.180 ( -6.561 0.053 -3.442) 7.409 8.698 ( 9.012 0.787 -4.287) 10.011 8.837 ( 2.826 -3.387 -6.093) 7.522 8.952 ( 3.334 -0.278 -7.143) 7.888 9.006 ( 0.814 -3.120 -12.177) 12.596 9.998 ( -1.665 8.285 -2.077) 8.702 10.010 ( -1.974 9.959 -1.596) 10.278 10.976 ( 1.771 -7.583 5.936) 9.791 11.038 ( -0.903 -7.942 4.336) 9.093 11.508 ( 1.214 3.751 1.186) 4.117 11.537 ( -0.154 5.004 0.671) 5.051 12.117 ( 0.226 -2.769 7.333) 7.842 12.157 ( -1.997 -4.314 6.743) 8.251 12.826 ( 2.331 4.937 1.818) 5.754 12.937 ( -2.648 3.867 -0.889) 4.770 13.333 ( 2.533 -3.842 -12.392) 13.219 13.388 ( -0.031 -3.225 -12.939) 13.335 19.959 ( 6.670 4.197 4.789) 9.221 20.247 ( -6.592 1.964 8.199) 10.702 20.333 ( 10.240 -3.775 -4.764) 11.908 20.507 ( -1.862 -1.273 0.536) 2.319 20.662 ( 3.078 9.337 1.708) 9.978 21.127 ( -14.830 3.441 -10.954) 18.755 21.299 ( -3.192 -2.499 8.852) 9.737 21.472 ( -13.021 -1.467 6.712) 14.723 22.860 ( 2.428 3.469 3.580) 5.545 22.941 ( -1.392 2.564 1.718) 3.386 23.410 ( 4.851 -4.695 1.360) 6.887 23.560 ( -1.877 -5.996 -2.152) 6.641 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -8.050 7.845 -2.217) 11.457 2.199 ( 8.050 7.845 -2.217) 11.457 2.762 ( -15.046 -2.384 10.833) 18.693 2.762 ( 15.046 -2.384 10.833) 18.693 2.963 ( -3.809 -9.608 4.731) 11.367 2.963 ( 3.809 -9.608 4.731) 11.367 3.404 ( -10.293 2.085 -3.512) 11.073 3.404 ( 10.293 2.085 -3.512) 11.073 3.536 ( -2.267 -0.625 -0.050) 2.353 3.536 ( 2.267 -0.625 -0.050) 2.353 3.811 ( -13.226 8.533 -1.422) 15.804 3.811 ( 13.226 8.533 -1.422) 15.804 4.073 ( -10.015 3.867 3.802) 11.389 4.073 ( 10.015 3.867 3.802) 11.389 4.460 ( -9.208 10.087 -13.582) 19.261 4.460 ( 9.208 10.087 -13.582) 19.261 4.865 ( -3.329 2.456 -14.438) 15.019 4.865 ( 3.329 2.456 -14.438) 15.019 5.004 ( -9.431 5.146 -9.083) 14.069 5.004 ( 9.431 5.146 -9.083) 14.069 6.095 ( -7.270 -7.167 3.578) 10.818 6.095 ( 7.270 -7.167 3.578) 10.818 6.273 ( -0.738 -8.324 1.339) 8.464 6.273 ( 0.738 -8.324 1.339) 8.464 7.059 ( -8.789 -1.878 13.649) 16.343 7.059 ( 8.789 -1.878 13.649) 16.343 7.409 ( -3.904 -7.611 5.646) 10.249 7.409 ( 3.904 -7.611 5.646) 10.249 7.696 ( -3.364 4.682 1.741) 6.023 7.696 ( 3.364 4.682 1.741) 6.023 8.064 ( -4.931 0.671 -3.276) 5.958 8.064 ( 4.931 0.671 -3.276) 5.958 8.829 ( -3.768 -1.199 -5.492) 6.767 8.829 ( 3.768 -1.199 -5.492) 6.767 8.999 ( -1.486 -1.933 -9.913) 10.209 8.999 ( 1.486 -1.933 -9.913) 10.209 9.985 ( -0.425 9.722 -1.291) 9.817 9.985 ( 0.425 9.722 -1.291) 9.817 11.011 ( -1.687 -7.823 5.347) 9.625 11.011 ( 1.687 -7.823 5.347) 9.625 11.528 ( -0.755 4.872 0.959) 5.023 11.528 ( 0.755 4.872 0.959) 5.023 12.128 ( -0.987 -4.691 7.078) 8.549 12.128 ( 0.987 -4.691 7.078) 8.549 12.879 ( -2.990 4.889 0.067) 5.731 12.879 ( 2.990 4.889 0.067) 5.731 13.373 ( -1.426 -3.635 -13.512) 14.065 13.373 ( 1.426 -3.635 -13.512) 14.065 20.101 ( -7.546 3.015 6.858) 10.633 20.101 ( 7.546 3.015 6.858) 10.633 20.465 ( -3.126 -3.981 -1.247) 5.213 20.465 ( 3.126 -3.981 -1.247) 5.213 20.834 ( -13.653 7.592 -5.966) 16.722 20.834 ( 13.653 7.592 -5.966) 16.722 21.304 ( -4.113 -1.720 7.850) 9.027 21.304 ( 4.113 -1.720 7.850) 9.027 22.906 ( -2.138 3.068 2.686) 4.604 22.906 ( 2.138 3.068 2.686) 4.604 23.499 ( -4.043 -5.505 -0.213) 6.833 23.499 ( 4.043 -5.505 -0.213) 6.833 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 4.226 14.159) 14.776 1.904 ( 0.000 -8.385 25.668) 27.003 2.152 ( 0.000 -6.026 2.808) 6.648 2.343 ( 0.000 -9.988 6.115) 11.711 2.819 ( 0.000 -1.751 -7.026) 7.241 2.953 ( 0.000 -5.674 -4.185) 7.051 3.102 ( 0.000 11.417 -2.125) 11.613 3.424 ( 0.000 -5.275 10.870) 12.082 3.549 ( 0.000 -0.684 -4.466) 4.518 3.605 ( 0.000 0.230 -3.055) 3.063 3.751 ( 0.000 10.710 14.723) 18.206 3.954 ( 0.000 1.856 -3.323) 3.806 4.581 ( 0.000 20.973 6.359) 21.916 4.719 ( 0.000 17.438 2.639) 17.636 4.872 ( 0.000 17.951 -12.109) 21.653 4.906 ( 0.000 12.855 -0.922) 12.888 5.184 ( 0.000 -4.511 9.339) 10.371 5.358 ( 0.000 6.054 10.064) 11.745 5.407 ( 0.000 -8.121 -8.084) 11.459 5.838 ( 0.000 -4.498 8.525) 9.639 5.980 ( 0.000 3.597 -6.723) 7.625 6.006 ( 0.000 -4.733 -6.256) 7.845 6.256 ( 0.000 -12.916 3.562) 13.398 6.333 ( 0.000 -8.645 -4.279) 9.646 6.634 ( 0.000 -9.266 -20.131) 22.161 6.683 ( 0.000 -5.720 -2.537) 6.258 7.009 ( 0.000 2.389 -8.082) 8.427 7.052 ( 0.000 -1.956 -7.404) 7.658 7.343 ( 0.000 3.623 6.192) 7.174 7.700 ( 0.000 7.495 -8.054) 11.002 7.907 ( 0.000 -10.960 -4.259) 11.758 8.329 ( 0.000 -12.719 -10.392) 16.425 8.391 ( 0.000 3.235 5.695) 6.550 8.544 ( 0.000 -4.773 -0.003) 4.773 8.649 ( 0.000 3.663 -2.178) 4.261 8.786 ( 0.000 -3.040 -11.076) 11.485 10.236 ( 0.000 7.066 -3.353) 7.821 10.281 ( 0.000 7.878 -3.853) 8.769 10.770 ( 0.000 -7.015 5.477) 8.900 10.870 ( 0.000 -7.775 1.984) 8.024 11.480 ( 0.000 1.575 2.198) 2.704 11.535 ( 0.000 -0.556 0.894) 1.053 12.229 ( 0.000 5.678 4.831) 7.455 12.355 ( 0.000 1.400 0.557) 1.506 12.842 ( 0.000 -0.265 6.691) 6.697 12.843 ( 0.000 -0.048 5.667) 5.667 13.250 ( 0.000 -1.315 -6.521) 6.652 13.282 ( 0.000 -2.038 -7.915) 8.173 19.884 ( 0.000 4.491 -0.359) 4.506 19.892 ( 0.000 2.832 -0.366) 2.856 20.568 ( 0.000 3.528 5.045) 6.156 20.633 ( 0.000 0.752 0.607) 0.966 20.867 ( 0.000 10.061 9.327) 13.719 21.344 ( 0.000 -11.101 14.354) 18.145 21.805 ( 0.000 7.105 -14.792) 16.410 22.198 ( 0.000 -10.106 -9.900) 14.147 22.932 ( 0.000 -0.232 1.510) 1.528 22.940 ( 0.000 -1.156 0.818) 1.416 23.164 ( 0.000 2.028 3.300) 3.874 23.294 ( 0.000 -3.835 -0.528) 3.871 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 4.953 3.426 16.133) 17.221 2.002 ( 9.199 -5.434 19.697) 22.408 2.184 ( 3.533 -5.686 4.209) 7.907 2.428 ( 8.023 -11.363 4.350) 14.574 2.810 ( -0.761 0.591 -8.917) 8.969 2.955 ( -1.076 -2.344 -0.786) 2.696 3.121 ( 2.959 7.556 -3.493) 8.834 3.402 ( -1.793 -4.870 11.519) 12.634 3.534 ( -1.304 -1.002 -3.216) 3.612 3.596 ( -1.032 -1.378 -2.925) 3.394 3.782 ( 2.941 10.395 13.219) 17.072 3.973 ( 1.641 1.942 -3.712) 4.499 4.535 ( -4.392 19.847 5.231) 20.990 4.711 ( -1.855 18.441 2.414) 18.690 4.873 ( 0.150 16.684 -11.318) 20.161 4.902 ( -0.491 14.389 -0.546) 14.408 5.052 ( -10.590 -2.293 5.019) 11.941 5.231 ( -7.194 2.923 -4.426) 8.938 5.529 ( 6.151 -3.499 2.373) 7.464 5.713 ( -14.947 -5.254 -4.403) 16.444 5.861 ( -9.478 0.251 -10.528) 14.168 6.091 ( 4.461 -8.435 0.971) 9.591 6.178 ( -11.344 -9.345 -1.948) 14.826 6.235 ( -2.675 -14.172 -0.295) 14.425 6.405 ( -1.892 2.530 -2.404) 3.970 6.889 ( 6.292 -14.675 0.951) 15.995 7.163 ( 8.725 -0.641 -5.647) 10.412 7.210 ( 13.678 -0.078 -8.572) 16.142 7.339 ( 1.190 6.475 4.772) 8.131 7.731 ( 2.820 7.191 -7.199) 10.559 7.899 ( -0.398 -9.475 -2.657) 9.849 8.285 ( -2.777 -9.588 -6.459) 11.890 8.451 ( 4.986 2.061 0.949) 5.478 8.608 ( 4.420 -2.117 -1.467) 5.116 8.689 ( 5.110 0.636 -3.860) 6.435 8.821 ( 3.075 -3.614 -10.959) 11.942 10.229 ( -0.651 7.852 -2.848) 8.378 10.279 ( -0.196 8.826 -3.517) 9.503 10.766 ( -0.260 -7.607 5.455) 9.364 10.870 ( -0.104 -8.516 1.978) 8.743 11.496 ( 1.646 1.964 2.234) 3.400 11.553 ( 1.705 -0.043 0.983) 1.969 12.198 ( -2.975 4.080 5.325) 7.339 12.294 ( -5.553 0.369 2.970) 6.309 12.837 ( 1.455 2.547 4.938) 5.744 12.921 ( 5.063 -1.009 2.900) 5.921 13.231 ( -1.357 -1.044 -6.529) 6.750 13.296 ( 0.855 -2.858 -8.266) 8.788 19.894 ( 1.937 4.808 0.275) 5.190 19.954 ( 5.200 1.722 -1.220) 5.611 20.534 ( -3.297 3.589 4.899) 6.910 20.609 ( -2.358 0.412 0.556) 2.458 20.855 ( -1.043 10.091 8.648) 13.331 21.311 ( -3.128 -10.252 13.035) 16.876 21.716 ( -8.492 6.039 -13.345) 16.931 22.046 ( -13.988 -8.502 -6.784) 17.719 22.894 ( -0.213 3.382 3.151) 4.627 22.997 ( 2.187 0.179 -0.420) 2.235 23.178 ( 1.525 -0.399 3.288) 3.647 23.346 ( 3.927 -6.303 -1.325) 7.543 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 10.004 3.970 15.069) 18.518 2.230 ( 13.033 0.127 11.536) 17.406 2.291 ( 7.036 -7.174 5.860) 11.632 2.625 ( 10.737 -13.922 2.312) 17.733 2.785 ( -2.384 6.631 -8.716) 11.208 2.911 ( -1.465 1.431 0.671) 2.155 3.207 ( 3.084 1.660 -2.466) 4.284 3.384 ( 1.610 -3.862 8.951) 9.880 3.511 ( -0.473 -2.031 -1.346) 2.482 3.558 ( -2.915 -3.936 -1.594) 5.151 3.863 ( 5.403 9.351 10.187) 14.847 3.996 ( -0.277 3.830 -2.667) 4.675 4.419 ( -6.981 16.765 -0.050) 18.161 4.597 ( -9.949 14.827 2.228) 17.995 4.831 ( -5.804 6.632 -5.919) 10.616 4.870 ( -3.813 16.141 -3.963) 17.053 4.923 ( 0.157 11.528 -3.628) 12.086 5.103 ( -5.718 5.715 -12.697) 15.052 5.317 ( -18.424 -0.852 -14.549) 23.491 5.569 ( -13.549 -8.496 -10.867) 19.335 5.698 ( 3.589 0.376 3.630) 5.118 6.010 ( -3.887 -12.037 0.332) 12.653 6.122 ( -1.666 -12.836 0.783) 12.968 6.162 ( -4.121 -14.615 -3.027) 15.484 6.560 ( 13.071 5.110 12.979) 19.116 7.004 ( 5.777 -12.370 5.766) 14.820 7.234 ( -1.154 -0.787 7.465) 7.594 7.323 ( 1.894 -5.032 -0.665) 5.418 7.526 ( 11.701 7.495 -3.749) 14.392 7.795 ( 3.262 7.751 -4.688) 9.628 7.909 ( 1.594 -6.750 -0.461) 6.951 8.227 ( -3.421 -7.276 -4.798) 9.363 8.578 ( 7.768 3.770 -3.608) 9.358 8.700 ( 5.165 -0.203 -4.489) 6.846 8.820 ( 6.552 -2.818 -6.159) 9.423 8.887 ( 3.260 -3.919 -10.810) 11.952 10.216 ( -0.509 9.968 -1.621) 10.112 10.273 ( -0.482 11.223 -2.488) 11.506 10.764 ( 0.125 -9.455 5.123) 10.755 10.861 ( -0.826 -10.084 2.131) 10.340 11.542 ( 2.972 3.263 2.372) 5.011 11.598 ( 2.769 1.799 1.312) 3.553 12.121 ( -4.608 0.203 6.076) 7.628 12.169 ( -6.413 -1.889 5.734) 8.807 12.884 ( 2.960 5.004 2.188) 6.212 13.012 ( 3.448 1.342 -1.467) 3.980 13.212 ( -0.248 -2.566 -6.876) 7.343 13.307 ( 0.203 -4.031 -9.106) 9.960 19.957 ( 4.323 5.258 1.002) 6.880 20.087 ( 7.947 -1.067 -2.358) 8.357 20.444 ( -5.699 3.771 4.241) 8.043 20.547 ( -3.767 -0.687 0.341) 3.844 20.838 ( -0.283 10.287 6.918) 12.400 21.239 ( -3.678 -7.974 9.840) 13.188 21.501 ( -12.583 4.510 -9.834) 16.595 21.724 ( -17.013 -5.113 -1.150) 17.801 22.917 ( 2.079 5.759 3.123) 6.873 23.023 ( 0.649 3.702 0.324) 3.772 23.222 ( 2.851 -4.381 2.886) 5.971 23.403 ( 1.396 -8.895 -1.469) 9.123 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 11.546 5.684 10.535) 16.631 2.407 ( 3.687 1.427 5.354) 6.656 2.498 ( 12.236 -5.625 7.193) 15.267 2.713 ( -2.918 5.467 2.631) 6.732 2.770 ( 2.974 -9.096 0.143) 9.571 2.987 ( 8.161 0.295 -5.647) 9.929 3.155 ( -5.912 -1.979 3.795) 7.299 3.439 ( -5.100 -8.349 -2.585) 10.119 3.507 ( 5.013 0.770 0.306) 5.081 3.595 ( 9.341 0.129 1.825) 9.519 3.911 ( -8.447 7.508 2.026) 11.482 3.983 ( 5.182 5.388 7.246) 10.411 4.265 ( -8.605 13.891 -8.477) 18.408 4.419 ( -5.529 9.447 -2.097) 11.145 4.701 ( -11.635 11.677 -10.356) 19.467 4.713 ( -6.219 3.756 -10.212) 12.533 4.950 ( 1.518 11.647 -7.029) 13.687 5.007 ( -3.101 6.183 -14.555) 16.115 5.116 ( -2.279 6.370 -11.291) 13.163 5.299 ( -11.113 1.219 -6.857) 13.115 5.807 ( 5.688 -6.227 4.246) 9.443 5.964 ( -1.801 -12.345 0.903) 12.508 6.076 ( -2.509 -12.834 0.924) 13.109 6.088 ( -3.005 -12.745 -1.607) 13.192 6.821 ( 12.566 1.747 15.133) 19.748 7.104 ( 3.080 -7.168 9.217) 12.076 7.188 ( -2.066 -3.839 10.073) 10.976 7.311 ( -2.876 -7.330 4.141) 8.897 7.713 ( 7.304 6.897 0.128) 10.047 7.838 ( 0.711 7.721 -0.733) 7.788 7.964 ( 3.867 -3.727 -0.692) 5.415 8.147 ( -4.605 -4.170 -3.077) 6.933 8.731 ( 6.952 2.640 -6.850) 10.111 8.795 ( 3.826 -0.311 -6.846) 7.849 8.914 ( 2.891 -3.092 -8.517) 9.511 8.937 ( 1.499 -3.587 -10.348) 11.054 10.215 ( 0.505 12.564 -0.399) 12.581 10.258 ( -1.016 13.617 -1.059) 13.696 10.775 ( 1.012 -11.619 4.283) 12.424 10.837 ( -1.605 -11.625 2.570) 12.013 11.607 ( 3.354 5.661 2.586) 7.070 11.650 ( 2.039 5.418 1.898) 6.093 12.032 ( -3.798 -4.989 6.526) 9.050 12.059 ( -4.559 -4.972 6.522) 9.383 12.945 ( 3.109 6.495 -0.288) 7.207 13.038 ( -0.721 5.607 -2.941) 6.372 13.232 ( 2.075 -5.662 -8.413) 10.351 13.302 ( -0.813 -5.125 -9.792) 11.082 20.058 ( 5.801 5.231 1.865) 8.031 20.246 ( 7.198 -3.641 -2.218) 8.365 20.320 ( -6.227 3.724 2.599) 7.706 20.468 ( -4.132 -2.594 -0.413) 4.896 20.866 ( 3.801 10.302 3.899) 11.653 21.178 ( -3.643 -2.052 2.709) 4.982 21.258 ( -9.770 1.762 -1.679) 10.069 21.425 ( -12.507 -3.249 3.146) 13.300 22.963 ( 2.310 6.485 2.860) 7.454 23.024 ( -0.540 5.810 1.577) 6.045 23.284 ( 3.335 -7.303 1.889) 8.248 23.399 ( -1.635 -9.510 -0.545) 9.665 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -8.123 6.768 5.512) 11.924 2.354 ( 8.123 6.768 5.512) 11.924 2.662 ( -4.631 -8.308 6.927) 11.767 2.662 ( 4.631 -8.308 6.927) 11.767 2.902 ( -11.113 4.759 0.432) 12.097 2.902 ( 11.113 4.759 0.432) 12.097 3.264 ( -11.141 -9.866 -3.262) 15.235 3.264 ( 11.141 -9.866 -3.262) 15.235 3.658 ( -8.670 7.780 1.574) 11.755 3.658 ( 8.670 7.780 1.574) 11.755 3.892 ( -11.656 -1.153 1.933) 11.871 3.892 ( 11.656 -1.153 1.933) 11.871 4.279 ( -8.883 14.417 -5.909) 17.935 4.279 ( 8.883 14.417 -5.909) 17.935 4.609 ( -2.897 2.350 -13.531) 14.036 4.609 ( 2.897 2.350 -13.531) 14.036 4.974 ( -1.061 9.363 -11.810) 15.109 4.974 ( 1.061 9.363 -11.810) 15.109 5.146 ( -4.662 7.429 -5.412) 10.307 5.146 ( 4.663 7.429 -5.412) 10.307 5.908 ( -4.221 -9.731 2.010) 10.795 5.908 ( 4.221 -9.731 2.010) 10.795 6.052 ( -0.513 -12.616 0.453) 12.634 6.052 ( 0.513 -12.616 0.453) 12.634 7.031 ( -8.337 -0.009 13.714) 16.049 7.031 ( 8.337 -0.009 13.714) 16.049 7.234 ( -4.366 -8.934 7.540) 12.479 7.234 ( 4.366 -8.934 7.540) 12.479 7.815 ( -3.141 6.953 1.439) 7.764 7.815 ( 3.141 6.953 1.439) 7.764 8.052 ( -4.857 -2.510 -1.865) 5.777 8.052 ( 4.857 -2.510 -1.865) 5.777 8.822 ( -1.669 1.004 -7.439) 7.690 8.822 ( 1.670 1.004 -7.439) 7.690 8.944 ( -0.556 -3.422 -10.064) 10.644 8.944 ( 0.556 -3.422 -10.064) 10.644 10.234 ( -1.276 14.184 -0.113) 14.242 10.234 ( 1.276 14.184 -0.113) 14.242 10.803 ( -1.719 -12.420 3.303) 12.966 10.803 ( 1.719 -12.420 3.303) 12.966 11.659 ( -1.382 7.857 2.495) 8.359 11.659 ( 1.382 7.857 2.495) 8.359 12.000 ( -0.940 -7.704 6.547) 10.154 12.000 ( 0.940 -7.704 6.547) 10.154 13.002 ( -2.570 6.886 -2.117) 7.649 13.002 ( 2.570 6.886 -2.117) 7.649 13.275 ( -1.914 -5.938 -9.706) 11.538 13.275 ( 1.914 -5.938 -9.706) 11.538 20.182 ( -6.617 4.768 2.790) 8.620 20.182 ( 6.617 4.768 2.790) 8.620 20.379 ( -5.223 -4.551 -2.022) 7.217 20.379 ( 5.223 -4.551 -2.022) 7.217 21.001 ( -9.655 8.312 -1.429) 12.820 21.001 ( 9.655 8.312 -1.429) 12.820 21.250 ( -5.176 -3.760 5.619) 8.515 21.250 ( 5.176 -3.760 5.619) 8.515 23.003 ( -1.649 6.513 2.450) 7.152 23.003 ( 1.649 6.513 2.450) 7.152 23.349 ( -3.128 -8.912 0.660) 9.468 23.349 ( 3.128 -8.912 0.660) 9.468 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 1.801 ( 0.000 -2.626 14.610) 14.844 1.801 ( 0.000 2.626 14.610) 14.844 2.152 ( 0.000 -6.648 12.533) 14.187 2.152 ( 0.000 6.648 12.533) 14.187 2.845 ( 0.000 -4.130 -7.757) 8.788 2.845 ( 0.000 4.130 -7.757) 8.788 3.307 ( 0.000 -7.398 5.477) 9.205 3.307 ( 0.000 7.398 5.477) 9.205 3.570 ( 0.000 -2.827 -4.527) 5.338 3.570 ( 0.000 2.827 -4.527) 5.338 3.916 ( 0.000 -5.268 6.447) 8.326 3.916 ( 0.000 5.268 6.447) 8.326 4.950 ( 0.000 -11.586 0.653) 11.604 4.950 ( 0.000 11.586 0.653) 11.604 5.045 ( 0.000 -1.160 1.508) 1.902 5.045 ( 0.000 1.160 1.508) 1.902 5.158 ( 0.000 -13.187 -6.336) 14.630 5.158 ( 0.000 13.187 -6.336) 14.630 5.596 ( 0.000 -15.700 7.506) 17.402 5.596 ( 0.000 15.700 7.506) 17.402 6.013 ( 0.000 -5.068 -0.003) 5.068 6.013 ( 0.000 5.068 -0.003) 5.068 6.155 ( 0.000 -7.017 -6.661) 9.675 6.155 ( 0.000 7.017 -6.661) 9.675 6.559 ( 0.000 -3.705 -2.447) 4.440 6.559 ( 0.000 3.705 -2.447) 4.440 7.039 ( 0.000 -0.137 -10.138) 10.139 7.039 ( 0.000 0.137 -10.138) 10.139 7.545 ( 0.000 -14.410 -1.524) 14.490 7.545 ( 0.000 14.410 -1.524) 14.490 8.032 ( 0.000 -15.180 -12.476) 19.649 8.032 ( 0.000 15.180 -12.476) 19.649 8.461 ( 0.000 -3.720 4.053) 5.501 8.461 ( 0.000 3.720 4.053) 5.501 8.722 ( 0.000 -3.470 -5.597) 6.586 8.722 ( 0.000 3.470 -5.597) 6.586 10.352 ( 0.000 -2.457 -2.864) 3.773 10.352 ( 0.000 2.457 -2.864) 3.773 10.730 ( 0.000 -4.133 3.220) 5.239 10.730 ( 0.000 4.133 3.220) 5.239 11.512 ( 0.000 -1.532 1.860) 2.410 11.512 ( 0.000 1.532 1.860) 2.410 12.330 ( 0.000 -3.686 2.137) 4.261 12.330 ( 0.000 3.686 2.137) 4.261 12.842 ( 0.000 -0.089 5.985) 5.985 12.842 ( 0.000 0.089 5.985) 5.985 13.248 ( 0.000 -1.041 -6.903) 6.981 13.248 ( 0.000 1.041 -6.903) 6.981 19.927 ( 0.000 -0.145 -0.010) 0.145 19.927 ( 0.000 0.145 -0.010) 0.145 20.625 ( 0.000 -1.737 1.051) 2.031 20.625 ( 0.000 1.737 1.051) 2.031 21.100 ( 0.000 -12.553 12.943) 18.031 21.100 ( 0.000 12.553 12.943) 18.031 21.984 ( 0.000 -10.363 -12.385) 16.148 21.984 ( 0.000 10.363 -12.385) 16.148 22.929 ( 0.000 -0.047 1.384) 1.385 22.929 ( 0.000 0.047 1.384) 1.385 23.219 ( 0.000 -3.369 1.398) 3.647 23.219 ( 0.000 3.369 1.398) 3.647 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 7.264 -6.060 13.405) 16.407 1.877 ( 7.264 6.060 13.405) 16.407 2.213 ( 6.047 -7.859 11.086) 14.874 2.213 ( 6.047 7.859 11.086) 14.874 2.864 ( 1.700 -4.642 -7.069) 8.626 2.864 ( 1.700 4.642 -7.069) 8.626 3.296 ( -0.686 -6.738 5.198) 8.538 3.296 ( -0.686 6.738 5.198) 8.538 3.548 ( -2.192 -2.674 -3.585) 4.981 3.548 ( -2.192 2.674 -3.585) 4.981 3.939 ( 2.200 -5.000 5.293) 7.607 3.939 ( 2.200 5.000 5.293) 7.607 4.886 ( -7.217 -13.120 3.362) 15.346 4.886 ( -7.217 13.120 3.362) 15.346 5.021 ( -1.078 -5.250 -4.119) 6.759 5.021 ( -1.078 5.250 -4.119) 6.759 5.165 ( 0.084 -11.254 -5.743) 12.635 5.165 ( 0.084 11.254 -5.743) 12.635 5.556 ( -4.914 -9.172 2.288) 10.654 5.556 ( -4.914 9.172 2.288) 10.654 5.967 ( -11.030 -8.515 -4.526) 14.650 5.967 ( -11.030 8.515 -4.526) 14.650 6.007 ( -4.622 -4.730 -3.090) 7.299 6.007 ( -4.622 4.730 -3.090) 7.299 6.589 ( 5.054 -13.649 2.864) 14.834 6.589 ( 5.054 13.649 2.864) 14.834 7.171 ( 8.044 -1.720 -4.529) 9.390 7.171 ( 8.044 1.720 -4.529) 9.390 7.580 ( 4.124 -14.044 -2.723) 14.888 7.580 ( 4.124 14.044 -2.723) 14.888 8.028 ( -0.166 -13.826 -9.587) 16.825 8.028 ( -0.166 13.826 -9.587) 16.825 8.527 ( 6.014 -4.562 0.754) 7.585 8.527 ( 6.014 4.562 0.754) 7.585 8.748 ( 2.566 -3.714 -6.181) 7.654 8.748 ( 2.566 3.714 -6.181) 7.654 10.360 ( 0.890 -2.884 -2.513) 3.928 10.360 ( 0.890 2.884 -2.513) 3.928 10.717 ( -1.313 -4.416 3.182) 5.599 10.717 ( -1.313 4.416 3.182) 5.599 11.534 ( 2.202 -1.601 2.040) 3.402 11.534 ( 2.202 1.601 2.040) 3.402 12.270 ( -5.541 -2.635 3.558) 7.092 12.270 ( -5.541 2.635 3.558) 7.092 12.887 ( 4.104 -2.266 3.731) 5.991 12.887 ( 4.104 2.266 3.731) 5.991 13.243 ( -0.536 -2.016 -6.935) 7.242 13.243 ( -0.536 2.016 -6.935) 7.242 19.958 ( 3.134 -1.498 -0.137) 3.476 19.958 ( 3.134 1.498 -0.137) 3.476 20.595 ( -2.988 -1.985 1.025) 3.731 20.595 ( -2.988 1.985 1.025) 3.731 21.082 ( -1.607 -11.942 11.820) 16.879 21.082 ( -1.607 11.942 11.820) 16.879 21.867 ( -10.835 -8.682 -10.198) 17.227 21.867 ( -10.835 8.682 -10.198) 17.227 22.962 ( 2.952 -3.116 1.025) 4.413 22.962 ( 2.952 3.116 1.025) 4.413 23.228 ( 0.648 -4.901 1.467) 5.156 23.228 ( 0.648 4.901 1.467) 5.156 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 11.105 -8.756 11.015) 17.925 2.064 ( 11.105 8.756 11.015) 17.925 2.378 ( 10.060 -9.161 7.677) 15.622 2.378 ( 10.060 9.161 7.677) 15.622 2.889 ( 0.301 -3.696 -4.010) 5.462 2.889 ( 0.301 3.696 -4.010) 5.462 3.301 ( 1.219 -5.186 2.895) 6.063 3.301 ( 1.219 5.186 2.895) 6.063 3.494 ( -2.442 -1.640 -1.833) 3.466 3.494 ( -2.442 1.640 -1.833) 3.466 3.996 ( 3.163 -3.762 3.135) 5.829 3.996 ( 3.163 3.762 3.135) 5.829 4.686 ( -12.029 -6.937 -0.297) 13.889 4.686 ( -12.029 6.937 -0.297) 13.889 4.988 ( -4.486 -7.465 -6.971) 11.155 4.988 ( -4.486 7.465 -6.971) 11.155 5.147 ( -1.819 -8.883 -6.369) 11.080 5.147 ( -1.819 8.883 -6.369) 11.080 5.365 ( -11.752 -11.749 -9.314) 19.050 5.365 ( -11.752 11.749 -9.314) 19.050 5.798 ( -2.932 -8.517 1.907) 9.207 5.798 ( -2.932 8.517 1.907) 9.207 5.955 ( -2.750 -1.084 -2.658) 3.975 5.955 ( -2.750 1.084 -2.658) 3.975 6.739 ( 9.149 -12.295 9.748) 18.162 6.739 ( 9.149 12.295 9.748) 18.162 7.247 ( -0.142 -2.312 3.409) 4.121 7.247 ( -0.142 2.312 3.409) 4.121 7.710 ( 7.986 -9.685 -2.689) 12.837 7.710 ( 7.986 9.685 -2.689) 12.837 8.027 ( -0.172 -11.395 -5.400) 12.611 8.027 ( -0.172 11.395 -5.400) 12.611 8.664 ( 7.161 -4.071 -4.613) 9.441 8.664 ( 7.161 4.071 -4.613) 9.441 8.815 ( 3.875 -2.745 -7.419) 8.809 8.815 ( 3.875 2.745 -7.419) 8.809 10.390 ( 2.182 -3.949 -1.507) 4.757 10.390 ( 2.182 3.949 -1.507) 4.757 10.678 ( -2.711 -5.014 2.972) 6.428 10.678 ( -2.711 5.014 2.972) 6.428 11.598 ( 4.272 -1.758 2.613) 5.308 11.598 ( 4.272 1.758 2.613) 5.308 12.135 ( -7.648 -1.306 5.197) 9.339 12.135 ( -7.648 1.306 5.197) 9.339 12.980 ( 4.912 -4.106 -0.135) 6.404 12.980 ( 4.912 4.106 -0.135) 6.404 13.226 ( -1.209 -3.440 -6.924) 7.825 13.226 ( -1.209 3.440 -6.924) 7.825 20.044 ( 5.355 -3.254 -0.434) 6.281 20.044 ( 5.355 3.254 -0.434) 6.281 20.513 ( -5.105 -2.712 0.725) 5.826 20.513 ( -5.105 2.712 0.725) 5.826 21.051 ( -1.140 -10.393 9.154) 13.897 21.051 ( -1.140 10.393 9.154) 13.897 21.609 ( -14.220 -5.928 -5.915) 16.502 21.609 ( -14.220 5.928 -5.915) 16.502 23.029 ( 3.551 -4.387 0.986) 5.730 23.029 ( 3.551 4.387 0.986) 5.730 23.233 ( -0.293 -6.634 1.662) 6.845 23.233 ( -0.293 6.634 1.662) 6.845 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 11.486 -8.152 8.611) 16.508 2.291 ( 11.486 8.152 8.611) 16.508 2.547 ( 4.235 -7.590 5.432) 10.250 2.547 ( 4.235 7.590 5.432) 10.250 2.902 ( 3.428 -7.165 -0.637) 7.968 2.902 ( 3.428 7.165 -0.637) 7.968 3.258 ( -7.208 -8.871 0.308) 11.434 3.258 ( -7.208 8.871 0.308) 11.434 3.551 ( 9.591 -3.096 -1.082) 10.137 3.551 ( 9.591 3.096 -1.082) 10.137 4.014 ( -3.970 -2.887 2.278) 5.411 4.014 ( -3.970 2.887 2.278) 5.411 4.482 ( -5.534 -4.893 -7.457) 10.496 4.482 ( -5.534 4.893 -7.457) 10.496 4.776 ( -14.266 -2.644 -12.274) 19.004 4.776 ( -14.266 2.644 -12.274) 19.004 5.139 ( 1.269 -3.205 -6.066) 6.977 5.139 ( 1.269 3.205 -6.066) 6.977 5.228 ( -3.356 -7.800 -6.786) 10.869 5.228 ( -3.356 7.800 -6.786) 10.869 5.795 ( 1.485 -4.730 2.111) 5.388 5.795 ( 1.485 4.730 2.111) 5.388 5.896 ( -3.080 -0.634 -1.913) 3.681 5.896 ( -3.080 0.634 -1.913) 3.681 6.923 ( 9.039 -8.182 12.441) 17.419 6.923 ( 9.039 8.182 12.441) 17.419 7.197 ( -4.367 -3.532 8.180) 9.923 7.197 ( -4.367 3.532 8.180) 9.923 7.855 ( 6.394 -6.695 -0.402) 9.267 7.855 ( 6.394 6.695 -0.402) 9.267 8.011 ( -1.620 -8.575 -2.099) 8.975 8.011 ( -1.620 8.575 -2.099) 8.975 8.791 ( 5.526 -2.112 -8.221) 10.128 8.791 ( 5.526 2.112 -8.221) 10.128 8.876 ( 1.739 -1.205 -8.614) 8.870 8.876 ( 1.739 1.205 -8.614) 8.870 10.447 ( 3.644 -5.068 -0.074) 6.243 10.447 ( 3.644 5.068 -0.074) 6.243 10.612 ( -3.929 -5.523 2.396) 7.189 10.612 ( -3.929 5.523 2.396) 7.189 11.699 ( 5.999 -1.881 3.581) 7.235 11.699 ( 5.999 1.881 3.581) 7.235 11.981 ( -7.892 -1.392 5.481) 9.709 11.981 ( -7.892 1.392 5.481) 9.709 13.071 ( 4.201 -5.106 -3.366) 7.420 13.071 ( 4.201 5.106 -3.366) 7.420 13.194 ( -2.078 -4.597 -6.572) 8.285 13.194 ( -2.078 4.597 -6.572) 8.285 20.160 ( 6.199 -4.745 -0.652) 7.834 20.160 ( 6.199 4.745 -0.652) 7.834 20.402 ( -5.982 -3.899 0.069) 7.141 20.402 ( -5.982 3.899 0.069) 7.141 21.057 ( 2.200 -8.275 5.938) 10.420 21.057 ( 2.200 8.275 5.938) 10.420 21.344 ( -12.088 -4.687 -1.573) 13.060 21.344 ( -12.088 4.687 -1.573) 13.060 23.098 ( 3.462 -5.219 1.363) 6.410 23.098 ( 3.462 5.219 1.363) 6.410 23.212 ( -1.884 -6.878 1.809) 7.357 23.212 ( -1.884 6.878 1.809) 7.357 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 2.492 ( -7.478 -7.535 6.443) 12.418 2.492 ( 4.002 -6.841 6.443) 10.214 2.492 ( -4.002 6.841 6.443) 10.214 2.492 ( 7.478 7.535 6.443) 12.418 3.065 ( -10.963 -9.691 -0.025) 14.633 3.065 ( 10.630 -9.598 -0.025) 14.322 3.065 ( -10.630 9.598 -0.025) 14.322 3.065 ( 10.963 9.691 -0.025) 14.633 3.806 ( -13.896 -6.243 -0.170) 15.235 3.806 ( -6.221 -0.609 -0.170) 6.253 3.806 ( 6.221 0.609 -0.170) 6.253 3.806 ( 13.896 6.243 -0.170) 15.235 4.534 ( -7.300 -8.764 -11.550) 16.233 4.534 ( 1.130 -7.987 -11.550) 14.089 4.534 ( -1.130 7.987 -11.550) 14.089 4.534 ( 7.300 8.764 -11.550) 16.233 5.177 ( -1.420 -6.724 -5.716) 8.939 5.177 ( 0.853 -6.700 -5.716) 8.848 5.177 ( -0.853 6.700 -5.716) 8.848 5.177 ( 1.420 6.724 -5.716) 8.939 5.838 ( -1.542 -5.423 0.026) 5.638 5.838 ( 0.425 -5.372 0.026) 5.389 5.838 ( -0.425 5.372 0.026) 5.389 5.838 ( 1.542 5.423 0.026) 5.638 7.083 ( -6.923 -5.300 11.410) 14.360 7.083 ( 4.054 -4.496 11.410) 12.917 7.083 ( -4.053 4.496 11.410) 12.917 7.083 ( 6.923 5.300 11.410) 14.360 7.957 ( -3.949 -6.495 -0.133) 7.603 7.957 ( 3.933 -6.493 -0.133) 7.592 7.957 ( -3.933 6.493 -0.133) 7.592 7.957 ( 3.949 6.495 -0.133) 7.603 8.871 ( -1.253 -3.344 -9.236) 9.902 8.871 ( -0.122 -3.285 -9.236) 9.804 8.871 ( 0.122 3.285 -9.236) 9.804 8.871 ( 1.253 3.344 -9.236) 9.902 10.528 ( -2.207 -14.406 1.347) 14.636 10.528 ( 1.089 -14.374 1.347) 14.478 10.528 ( -1.089 14.374 1.347) 14.478 10.528 ( 2.207 14.406 1.347) 14.636 11.831 ( -3.836 -8.300 4.719) 10.289 11.831 ( -1.490 -8.110 4.719) 9.500 11.831 ( 1.490 8.110 4.719) 9.500 11.831 ( 3.836 8.300 4.719) 10.289 13.143 ( -2.584 -6.897 -5.491) 9.187 13.143 ( 1.947 -6.844 -5.491) 8.988 13.143 ( -1.947 6.844 -5.491) 8.988 13.143 ( 2.584 6.897 -5.491) 9.187 20.282 ( -6.145 -5.024 -0.500) 7.953 20.282 ( 5.490 -4.831 -0.500) 7.330 20.282 ( -5.490 4.831 -0.500) 7.330 20.282 ( 6.145 5.024 -0.500) 7.953 21.150 ( -7.205 -6.205 2.380) 9.802 21.150 ( 5.362 -5.719 2.380) 8.193 21.150 ( -5.362 5.719 2.380) 8.193 21.150 ( 7.205 6.205 2.380) 9.802 23.163 ( -2.259 -9.034 1.705) 9.467 23.163 ( 1.714 -9.004 1.705) 9.323 23.163 ( -1.714 9.004 1.705) 9.323 23.163 ( 2.259 9.034 1.705) 9.467 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 2.061 ( 0.000 0.000 17.291) 17.291 2.140 ( 0.000 0.000 -0.789) 0.789 2.306 ( 0.000 0.000 -15.255) 15.255 2.355 ( 0.000 0.000 -11.311) 11.311 2.811 ( 0.000 0.000 24.098) 24.098 3.228 ( 0.000 0.000 -13.619) 13.619 3.229 ( 0.000 0.000 -4.614) 4.614 3.275 ( 0.000 0.000 -9.105) 9.105 3.394 ( 0.000 0.000 4.008) 4.008 3.410 ( 0.000 0.000 -0.525) 0.525 3.945 ( 0.000 0.000 20.500) 20.500 4.103 ( 0.000 0.000 6.157) 6.157 4.125 ( 0.000 0.000 2.654) 2.654 4.267 ( 0.000 0.000 -9.106) 9.106 4.331 ( 0.000 0.000 8.498) 8.498 4.472 ( 0.000 0.000 -3.852) 3.852 5.471 ( 0.000 0.000 10.695) 10.695 5.546 ( 0.000 0.000 7.899) 7.899 5.559 ( 0.000 0.000 15.095) 15.095 5.686 ( 0.000 0.000 -9.457) 9.457 5.951 ( 0.000 0.000 -14.213) 14.213 6.031 ( 0.000 0.000 11.319) 11.319 6.074 ( 0.000 0.000 -18.790) 18.790 6.314 ( 0.000 0.000 -12.092) 12.092 6.487 ( 0.000 0.000 2.652) 2.652 6.697 ( 0.000 0.000 -12.898) 12.898 7.209 ( 0.000 0.000 2.738) 2.738 7.235 ( 0.000 0.000 0.380) 0.380 7.398 ( 0.000 0.000 2.919) 2.919 7.480 ( 0.000 0.000 -4.127) 4.127 8.301 ( 0.000 0.000 6.600) 6.600 8.421 ( 0.000 0.000 5.413) 5.413 8.503 ( 0.000 0.000 -10.563) 10.563 8.528 ( 0.000 0.000 -5.405) 5.405 8.571 ( 0.000 0.000 0.469) 0.469 8.590 ( 0.000 0.000 -3.799) 3.799 9.966 ( 0.000 0.000 -2.159) 2.159 9.969 ( 0.000 0.000 -2.294) 2.294 11.104 ( 0.000 0.000 1.758) 1.758 11.117 ( 0.000 0.000 0.576) 0.576 11.469 ( 0.000 0.000 1.001) 1.001 11.480 ( 0.000 0.000 -0.114) 0.114 12.219 ( 0.000 0.000 4.997) 4.997 12.278 ( 0.000 0.000 -0.527) 0.527 12.973 ( 0.000 0.000 6.596) 6.596 12.997 ( 0.000 0.000 6.144) 6.144 13.147 ( 0.000 0.000 -7.445) 7.445 13.163 ( 0.000 0.000 -7.334) 7.334 19.728 ( 0.000 0.000 1.985) 1.985 19.768 ( 0.000 0.000 -1.855) 1.855 20.621 ( 0.000 0.000 1.385) 1.385 20.644 ( 0.000 0.000 -0.719) 0.719 20.854 ( 0.000 0.000 18.877) 18.877 21.257 ( 0.000 0.000 -19.736) 19.736 21.938 ( 0.000 0.000 15.168) 15.168 22.218 ( 0.000 0.000 -11.694) 11.694 22.962 ( 0.000 0.000 0.894) 0.894 22.977 ( 0.000 0.000 -0.756) 0.756 23.233 ( 0.000 0.000 4.567) 4.567 23.320 ( 0.000 0.000 -3.883) 3.883 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -4.493 0.000 0.393) 4.510 2.134 ( 7.247 0.000 16.647) 18.156 2.257 ( -4.627 0.000 -15.032) 15.728 2.418 ( 6.234 0.000 -10.874) 12.534 2.883 ( 6.752 0.000 22.161) 23.167 3.236 ( 0.613 0.000 -5.173) 5.209 3.271 ( -0.323 0.000 -8.694) 8.700 3.300 ( 5.955 0.000 -16.725) 17.753 3.392 ( 1.862 0.000 7.575) 7.800 3.469 ( 4.271 0.000 -0.195) 4.275 3.908 ( -3.432 0.000 17.482) 17.816 4.048 ( -4.641 0.000 2.796) 5.418 4.148 ( 0.144 0.000 7.484) 7.486 4.266 ( 0.529 0.000 -6.671) 6.692 4.304 ( -2.846 0.000 7.993) 8.485 4.457 ( -1.212 0.000 -4.836) 4.986 5.173 ( -21.106 0.000 6.426) 22.063 5.262 ( -16.694 0.000 11.616) 20.337 5.387 ( -22.701 0.000 -13.045) 26.182 5.564 ( -12.656 0.000 -12.329) 17.669 5.914 ( 5.379 0.000 7.841) 9.509 6.207 ( 6.245 0.000 -16.087) 17.257 6.270 ( 12.152 0.000 6.330) 13.702 6.385 ( 3.405 0.000 -3.915) 5.189 6.539 ( 8.452 0.000 12.128) 14.783 6.903 ( 17.477 0.000 -18.695) 25.592 7.255 ( 4.291 0.000 2.668) 5.052 7.285 ( 5.047 0.000 -0.177) 5.051 7.399 ( 0.246 0.000 4.065) 4.073 7.499 ( 1.816 0.000 -4.863) 5.191 8.238 ( -5.260 0.000 5.737) 7.784 8.387 ( -7.540 0.000 -7.149) 10.391 8.453 ( 3.388 0.000 6.325) 7.175 8.583 ( 4.920 0.000 -6.433) 8.099 8.642 ( 5.499 0.000 0.160) 5.501 8.689 ( 6.179 0.000 -6.054) 8.650 9.949 ( -1.644 0.000 -1.868) 2.489 9.953 ( -1.611 0.000 -2.155) 2.691 11.106 ( 0.640 0.000 2.894) 2.964 11.140 ( 1.742 0.000 -0.296) 1.767 11.471 ( 0.167 0.000 0.914) 0.929 11.481 ( 0.082 0.000 -0.108) 0.136 12.225 ( 0.577 0.000 4.849) 4.883 12.280 ( 0.175 0.000 -0.311) 0.357 12.931 ( -2.778 0.000 7.495) 7.993 13.008 ( -0.516 0.000 3.309) 3.349 13.133 ( -0.403 0.000 -6.299) 6.312 13.179 ( 0.787 0.000 -7.666) 7.707 19.766 ( 3.930 0.000 2.938) 4.907 19.827 ( 5.792 0.000 -2.891) 6.474 20.605 ( -1.506 0.000 1.339) 2.015 20.627 ( -1.631 0.000 -0.639) 1.752 20.811 ( -4.385 0.000 18.277) 18.796 21.200 ( -5.685 0.000 -19.094) 19.922 21.854 ( -7.957 0.000 13.510) 15.679 22.096 ( -11.593 0.000 -9.679) 15.102 22.908 ( -3.058 0.000 3.405) 4.577 22.957 ( -1.365 0.000 -1.362) 1.928 23.307 ( 5.599 0.000 4.256) 7.033 23.405 ( 6.542 0.000 -5.057) 8.269 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -4.150 0.000 0.612) 4.194 2.145 ( -6.279 0.000 -13.267) 14.677 2.337 ( 13.047 0.000 14.889) 19.797 2.591 ( 11.052 0.000 -9.589) 14.632 3.053 ( 10.132 0.000 18.017) 20.671 3.248 ( 0.535 0.000 -6.373) 6.395 3.263 ( -0.426 0.000 -7.821) 7.833 3.385 ( 3.242 0.000 -6.574) 7.330 3.489 ( 4.955 0.000 3.120) 5.856 3.580 ( 7.862 0.000 -4.382) 9.000 3.801 ( -8.440 0.000 10.555) 13.515 3.893 ( -11.449 0.000 1.596) 11.559 4.138 ( 0.044 0.000 12.751) 12.751 4.212 ( -6.377 0.000 9.159) 11.160 4.291 ( 1.520 0.000 -2.329) 2.781 4.443 ( 0.201 0.000 -10.051) 10.053 4.796 ( -15.699 0.000 -0.155) 15.700 4.924 ( -16.951 0.000 10.773) 20.085 4.967 ( -18.072 0.000 -14.256) 23.018 5.247 ( -16.900 0.000 -17.060) 24.013 6.046 ( 6.334 0.000 11.065) 12.750 6.278 ( 1.277 0.000 -10.488) 10.566 6.364 ( 1.207 0.000 1.961) 2.303 6.411 ( -0.170 0.000 -2.163) 2.169 6.852 ( 18.454 0.000 19.029) 26.507 7.241 ( 14.937 0.000 -16.615) 22.342 7.365 ( 6.651 0.000 3.501) 7.516 7.409 ( 0.682 0.000 6.870) 6.904 7.418 ( 7.748 0.000 -1.532) 7.898 7.545 ( 2.603 0.000 -6.264) 6.784 8.124 ( -6.035 0.000 4.514) 7.537 8.236 ( -7.707 0.000 -5.592) 9.522 8.550 ( 6.120 0.000 5.741) 8.392 8.689 ( 5.082 0.000 -7.200) 8.813 8.754 ( 5.449 0.000 -0.737) 5.499 8.798 ( 4.662 0.000 -5.693) 7.358 9.908 ( -2.278 0.000 -1.393) 2.671 9.912 ( -2.361 0.000 -1.614) 2.860 11.129 ( 1.613 0.000 3.775) 4.105 11.174 ( 1.507 0.000 -0.371) 1.552 11.475 ( 0.255 0.000 0.703) 0.748 11.483 ( 0.102 0.000 -0.070) 0.124 12.240 ( 0.938 0.000 4.368) 4.467 12.283 ( 0.128 0.000 0.320) 0.345 12.881 ( -2.050 0.000 6.960) 7.255 12.971 ( -2.785 0.000 0.405) 2.814 13.138 ( 0.671 0.000 -5.264) 5.306 13.187 ( 0.032 0.000 -8.024) 8.024 19.881 ( 7.644 0.000 5.009) 9.139 19.988 ( 10.313 0.000 -5.177) 11.539 20.570 ( -1.768 0.000 1.214) 2.145 20.588 ( -2.032 0.000 -0.397) 2.071 20.687 ( -7.998 0.000 16.552) 18.383 21.039 ( -10.450 0.000 -17.251) 20.169 21.664 ( -10.236 0.000 9.808) 14.176 21.819 ( -14.942 0.000 -4.714) 15.668 22.880 ( 0.041 0.000 3.944) 3.944 22.938 ( -0.532 0.000 -1.535) 1.625 23.415 ( 4.990 0.000 4.175) 6.506 23.514 ( 3.998 0.000 -5.230) 6.583 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -1.273 0.000 -1.703) 2.126 2.028 ( -5.227 0.000 -9.957) 11.245 2.633 ( 16.438 0.000 11.576) 20.105 2.829 ( 12.000 0.000 -7.222) 14.006 3.248 ( -0.812 0.000 -5.989) 6.043 3.256 ( -0.520 0.000 -6.834) 6.853 3.269 ( 11.303 0.000 13.057) 17.270 3.461 ( 4.714 0.000 -2.067) 5.147 3.526 ( -0.726 0.000 7.830) 7.864 3.558 ( -14.469 0.000 6.490) 15.858 3.632 ( -13.825 0.000 -1.044) 13.865 3.714 ( 1.522 0.000 -13.882) 13.965 4.109 ( -0.534 0.000 13.785) 13.795 4.174 ( 3.498 0.000 13.421) 13.869 4.306 ( -0.622 0.000 3.567) 3.621 4.441 ( -3.834 0.000 -16.898) 17.327 4.585 ( -5.517 0.000 -6.851) 8.796 4.653 ( -6.649 0.000 10.811) 12.692 4.698 ( -9.637 0.000 -13.167) 16.317 4.941 ( -13.725 0.000 -15.161) 20.450 6.151 ( 4.441 0.000 6.946) 8.244 6.272 ( -1.566 0.000 -4.446) 4.713 6.377 ( 0.474 0.000 1.533) 1.604 6.400 ( -0.694 0.000 -0.465) 0.835 7.169 ( 12.876 0.000 16.011) 20.546 7.398 ( -0.218 0.000 3.918) 3.924 7.480 ( 7.446 0.000 -4.367) 8.632 7.503 ( 6.882 0.000 4.217) 8.071 7.560 ( 5.879 0.000 -1.016) 5.966 7.589 ( 1.472 0.000 -6.780) 6.938 8.015 ( -4.476 0.000 2.389) 5.074 8.090 ( -6.869 0.000 -4.346) 8.129 8.671 ( 5.609 0.000 1.777) 5.883 8.761 ( 1.800 0.000 -6.125) 6.384 8.843 ( 3.395 0.000 -2.047) 3.964 8.867 ( 2.250 0.000 -4.629) 5.147 9.867 ( -1.611 0.000 -0.941) 1.865 9.870 ( -1.682 0.000 -1.038) 1.976 11.163 ( 1.651 0.000 3.583) 3.945 11.193 ( 0.399 0.000 0.813) 0.906 11.480 ( 0.229 0.000 0.454) 0.508 11.484 ( 0.027 0.000 0.035) 0.044 12.259 ( 0.945 0.000 3.531) 3.655 12.283 ( -0.190 0.000 1.293) 1.307 12.857 ( -0.354 0.000 5.024) 5.036 12.913 ( -2.828 0.000 0.614) 2.894 13.153 ( 0.796 0.000 -6.268) 6.318 13.182 ( -0.542 0.000 -8.112) 8.130 20.059 ( 10.130 0.000 7.605) 12.667 20.219 ( 12.531 0.000 -7.635) 14.674 20.508 ( -9.512 0.000 13.469) 16.489 20.544 ( -0.803 0.000 0.993) 1.277 20.555 ( -1.269 0.000 0.013) 1.269 20.800 ( -13.496 0.000 -14.402) 19.738 21.491 ( -6.406 0.000 6.038) 8.803 21.561 ( -10.283 0.000 -0.345) 10.289 22.896 ( 1.241 0.000 2.805) 3.067 22.931 ( -0.339 0.000 -0.450) 0.563 23.496 ( 3.268 0.000 2.453) 4.086 23.558 ( 0.548 0.000 -3.312) 3.357 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -2.339 0.000 -5.714) 6.174 1.951 ( 2.339 0.000 -5.714) 6.174 2.921 ( -8.378 0.000 2.490) 8.741 2.921 ( 8.378 0.000 2.490) 8.741 3.226 ( -1.204 0.000 -1.496) 1.921 3.226 ( 1.204 0.000 -1.497) 1.921 3.421 ( -4.134 0.000 -3.665) 5.525 3.421 ( 4.134 0.000 -3.664) 5.525 3.455 ( -6.277 0.000 9.202) 11.139 3.455 ( 6.277 0.000 9.202) 11.139 3.600 ( -8.983 0.000 -4.308) 9.962 3.600 ( 8.983 0.000 -4.308) 9.962 4.247 ( -11.530 0.000 1.949) 11.693 4.247 ( 11.530 0.000 1.949) 11.693 4.255 ( -4.070 0.000 10.067) 10.859 4.255 ( 4.070 0.000 10.067) 10.859 4.571 ( -3.355 0.000 -11.481) 11.962 4.571 ( 3.355 0.000 -11.481) 11.962 4.716 ( -8.901 0.000 -9.078) 12.714 4.716 ( 8.901 0.000 -9.078) 12.714 6.225 ( -3.078 0.000 1.433) 3.396 6.225 ( 3.078 0.000 1.433) 3.396 6.387 ( -0.581 0.000 0.722) 0.927 6.387 ( 0.581 0.000 0.722) 0.927 7.346 ( -5.344 0.000 10.869) 12.111 7.346 ( 5.344 0.000 10.869) 12.111 7.581 ( -2.708 0.000 -5.106) 5.779 7.581 ( 2.708 0.000 -5.106) 5.779 7.604 ( -2.181 0.000 2.722) 3.489 7.604 ( 2.181 0.000 2.722) 3.489 7.988 ( -2.489 0.000 -1.973) 3.176 7.988 ( 2.489 0.000 -1.973) 3.176 8.754 ( -2.452 0.000 -3.002) 3.876 8.754 ( 2.452 0.000 -3.002) 3.876 8.883 ( -0.594 0.000 -3.369) 3.421 8.883 ( 0.594 0.000 -3.369) 3.421 9.852 ( -0.079 0.000 -0.768) 0.772 9.852 ( 0.079 0.000 -0.768) 0.772 11.189 ( -0.839 0.000 2.424) 2.565 11.189 ( 0.839 0.000 2.424) 2.565 11.484 ( -0.111 0.000 0.219) 0.246 11.484 ( 0.111 0.000 0.219) 0.246 12.275 ( -0.629 0.000 2.438) 2.518 12.275 ( 0.629 0.000 2.438) 2.518 12.869 ( -1.535 0.000 2.556) 2.981 12.869 ( 1.535 0.000 2.556) 2.981 13.168 ( -0.777 0.000 -7.515) 7.555 13.168 ( 0.777 0.000 -7.515) 7.555 20.265 ( -9.925 0.000 9.335) 13.625 20.265 ( 9.925 0.000 9.335) 13.625 20.527 ( -13.341 0.000 -9.837) 16.576 20.527 ( 13.341 0.000 -9.837) 16.576 20.539 ( -0.311 0.000 0.559) 0.639 20.539 ( 0.311 0.000 0.559) 0.639 21.440 ( -1.690 0.000 2.866) 3.327 21.440 ( 1.690 0.000 2.866) 3.327 22.919 ( -0.935 0.000 1.193) 1.516 22.919 ( 0.935 0.000 1.193) 1.516 23.545 ( -1.661 0.000 -0.398) 1.708 23.545 ( 1.661 0.000 -0.398) 1.708 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 -1.803 13.332) 13.454 2.258 ( 0.000 6.536 7.778) 10.160 2.298 ( 0.000 -0.428 -14.668) 14.674 2.471 ( 0.000 8.409 -10.807) 13.693 2.697 ( 0.000 -9.701 23.366) 25.300 3.024 ( 0.000 -11.376 -6.613) 13.158 3.134 ( 0.000 -5.664 1.253) 5.801 3.298 ( 0.000 3.832 -15.341) 15.812 3.502 ( 0.000 3.408 1.052) 3.567 3.554 ( 0.000 7.399 -3.239) 8.077 3.909 ( 0.000 -0.793 12.258) 12.283 3.957 ( 0.000 -8.210 6.085) 10.219 4.276 ( 0.000 15.738 4.107) 16.265 4.384 ( 0.000 11.846 -6.775) 13.647 4.547 ( 0.000 13.285 6.178) 14.651 4.634 ( 0.000 12.789 -1.856) 12.923 5.445 ( 0.000 -2.373 10.005) 10.283 5.493 ( 0.000 -4.945 4.829) 6.912 5.581 ( 0.000 1.578 14.905) 14.988 5.731 ( 0.000 4.336 -7.037) 8.266 5.905 ( 0.000 -3.821 -10.585) 11.253 6.030 ( 0.000 -1.680 -0.120) 1.684 6.126 ( 0.000 5.177 -8.770) 10.184 6.359 ( 0.000 3.433 -10.335) 10.890 6.468 ( 0.000 -1.512 -1.935) 2.456 6.591 ( 0.000 -9.459 -7.828) 12.278 7.089 ( 0.000 -9.435 1.690) 9.585 7.127 ( 0.000 -9.201 -1.290) 9.291 7.420 ( 0.000 1.046 3.655) 3.802 7.498 ( 0.000 1.465 -3.776) 4.050 8.173 ( 0.000 -10.812 5.454) 12.110 8.350 ( 0.000 -11.074 -10.749) 15.433 8.464 ( 0.000 2.638 6.055) 6.604 8.577 ( 0.000 -0.836 -1.491) 1.709 8.583 ( 0.000 1.159 -0.146) 1.168 8.598 ( 0.000 2.874 -6.400) 7.016 10.037 ( 0.000 6.581 -1.441) 6.737 10.048 ( 0.000 7.153 -2.271) 7.505 11.025 ( 0.000 -7.747 2.102) 8.027 11.038 ( 0.000 -5.994 0.752) 6.041 11.489 ( 0.000 1.571 1.467) 2.150 11.511 ( 0.000 2.106 -0.772) 2.243 12.246 ( 0.000 2.547 4.469) 5.144 12.304 ( 0.000 2.279 -1.028) 2.500 12.971 ( 0.000 -0.206 6.483) 6.487 12.992 ( 0.000 -0.525 6.303) 6.324 13.134 ( 0.000 -1.160 -7.128) 7.222 13.152 ( 0.000 -1.027 -7.288) 7.360 19.782 ( 0.000 4.788 1.151) 4.924 19.807 ( 0.000 3.566 -1.243) 3.776 20.629 ( 0.000 0.618 0.829) 1.034 20.632 ( 0.000 -0.743 1.041) 1.279 20.932 ( 0.000 7.193 16.600) 18.091 21.304 ( 0.000 4.678 -18.537) 19.119 21.870 ( 0.000 -6.614 14.901) 16.303 22.151 ( 0.000 -6.585 -12.033) 13.716 22.959 ( 0.000 -0.267 0.701) 0.750 22.968 ( 0.000 -0.805 -0.273) 0.850 23.229 ( 0.000 -0.350 4.052) 4.068 23.304 ( 0.000 -1.437 -3.283) 3.584 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 2.994 -0.743 11.109) 11.529 2.254 ( 1.302 6.440 9.501) 11.551 2.324 ( 0.701 3.899 -15.750) 16.241 2.462 ( 1.271 5.080 -7.943) 9.514 2.772 ( 6.866 -9.685 20.959) 24.088 3.071 ( 3.990 -10.567 -6.671) 13.118 3.125 ( -0.719 -6.136 2.173) 6.549 3.322 ( 2.388 2.611 -16.099) 16.484 3.514 ( 1.405 3.283 2.303) 4.250 3.586 ( 2.765 6.068 -3.655) 7.605 3.885 ( -1.435 -1.426 11.262) 11.442 3.953 ( -1.122 -6.164 5.468) 8.316 4.254 ( -2.477 15.840 5.229) 16.864 4.375 ( -1.011 12.270 -6.432) 13.891 4.512 ( -3.375 12.925 6.799) 14.989 4.631 ( -0.500 12.504 -3.361) 12.957 5.181 ( -20.334 0.831 7.488) 21.685 5.256 ( -15.327 -0.738 9.269) 17.927 5.421 ( -22.243 3.175 -10.662) 24.870 5.583 ( -13.725 1.430 -14.161) 19.772 5.842 ( 5.492 -6.355 8.815) 12.176 6.111 ( 2.597 -6.773 -13.459) 15.289 6.305 ( 8.362 0.553 4.997) 9.757 6.395 ( -0.205 -1.800 -3.210) 3.685 6.512 ( 10.618 -1.861 11.960) 16.101 6.858 ( 20.331 -2.859 -17.829) 27.192 7.156 ( 6.001 -7.789 2.472) 10.139 7.205 ( 7.374 -6.398 -1.945) 9.954 7.417 ( -0.120 0.845 4.729) 4.806 7.516 ( 1.790 1.626 -4.703) 5.288 8.147 ( -2.516 -8.642 5.530) 10.564 8.308 ( -4.032 -7.832 -8.730) 12.402 8.480 ( 2.043 2.032 5.254) 5.993 8.576 ( 2.442 0.154 -3.071) 3.927 8.646 ( 5.403 -0.472 -1.353) 5.589 8.679 ( 5.076 -0.089 -5.113) 7.205 10.025 ( -1.149 7.027 -1.246) 7.229 10.036 ( -1.119 7.657 -2.107) 8.020 11.028 ( 0.523 -7.324 2.784) 7.853 11.054 ( 1.278 -7.074 0.240) 7.193 11.495 ( 0.597 1.985 1.381) 2.490 11.517 ( 0.510 2.581 -0.772) 2.742 12.244 ( -0.239 1.723 4.382) 4.715 12.296 ( -0.789 1.344 -0.536) 1.648 12.934 ( -2.208 0.410 7.031) 7.381 13.008 ( 0.005 -0.005 3.499) 3.499 13.118 ( -0.549 -1.299 -6.026) 6.189 13.168 ( 0.790 -1.089 -7.398) 7.519 19.815 ( 3.483 4.351 2.136) 5.969 19.862 ( 5.260 3.149 -2.302) 6.549 20.608 ( -2.329 -0.970 1.461) 2.915 20.610 ( -1.854 0.208 0.814) 2.035 20.895 ( -3.628 7.542 15.445) 17.567 21.247 ( -5.623 4.628 -17.705) 19.144 21.791 ( -7.405 -6.050 13.257) 16.346 22.034 ( -11.018 -6.047 -9.913) 16.007 22.919 ( -1.916 1.076 3.042) 3.753 22.964 ( -0.557 0.743 -1.390) 1.671 23.285 ( 4.587 -1.909 4.103) 6.443 23.374 ( 5.515 -2.811 -4.362) 7.573 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.223 6.260 5.949) 8.639 2.276 ( -4.331 11.136 -13.020) 17.672 2.374 ( 10.800 3.237 12.222) 16.628 2.584 ( 9.926 -0.643 -7.326) 12.353 2.932 ( 8.482 -10.376 15.937) 20.823 3.103 ( -0.927 -8.853 1.568) 9.038 3.157 ( 3.950 -6.699 -4.471) 8.970 3.383 ( 3.325 0.100 -14.784) 15.154 3.548 ( 1.256 0.805 3.445) 3.754 3.632 ( 0.916 3.459 -3.724) 5.164 3.874 ( -0.624 -3.280 8.525) 9.156 3.918 ( -0.324 2.998 4.411) 5.343 4.159 ( -7.711 14.595 7.690) 18.210 4.330 ( -4.189 12.161 -7.160) 14.721 4.425 ( -5.026 11.814 8.932) 15.640 4.599 ( -3.224 8.161 -8.655) 12.324 4.808 ( -15.342 1.511 0.709) 15.432 4.966 ( -13.036 4.595 11.118) 17.739 4.987 ( -18.950 1.618 -14.021) 23.628 5.274 ( -15.428 2.572 -16.091) 22.440 5.971 ( 6.153 -6.840 9.383) 13.141 6.155 ( 1.615 -9.371 -7.339) 12.012 6.331 ( -1.251 -5.797 0.661) 5.967 6.363 ( -2.371 -5.870 -1.515) 6.509 6.848 ( 17.952 -0.066 18.213) 25.573 7.216 ( 14.267 -2.363 -16.009) 21.574 7.292 ( 6.854 -5.705 4.756) 10.107 7.373 ( 7.137 -3.694 -2.529) 8.425 7.433 ( 3.816 2.144 6.676) 7.983 7.569 ( 3.700 2.692 -6.096) 7.622 8.083 ( -3.686 -4.352 4.773) 7.437 8.208 ( -5.687 -3.225 -6.497) 9.217 8.553 ( 5.097 0.450 4.520) 6.828 8.652 ( 4.442 -2.289 -4.298) 6.591 8.756 ( 5.113 -1.114 -2.996) 6.030 8.774 ( 4.273 -1.223 -4.748) 6.503 9.997 ( -1.553 8.196 -0.769) 8.377 10.008 ( -1.560 8.912 -1.691) 9.204 11.047 ( 1.249 -7.789 3.342) 8.567 11.080 ( 1.159 -8.158 0.162) 8.241 11.510 ( 0.935 3.124 1.141) 3.455 11.529 ( 0.674 3.813 -0.667) 3.929 12.238 ( -0.377 -0.472 4.062) 4.106 12.275 ( -1.315 -1.020 0.671) 1.794 12.899 ( -1.290 1.728 5.953) 6.332 12.983 ( -2.172 1.188 0.034) 2.476 13.122 ( 0.751 -1.468 -4.410) 4.708 13.176 ( 0.042 -1.101 -7.510) 7.590 19.918 ( 6.798 3.275 4.023) 8.551 20.005 ( 9.091 1.594 -4.344) 10.200 20.541 ( -4.548 -2.327 3.513) 6.200 20.563 ( -2.712 -0.668 0.312) 2.811 20.803 ( -5.064 8.991 11.611) 15.534 21.094 ( -9.507 5.241 -15.273) 18.738 21.615 ( -9.482 -4.758 9.633) 14.330 21.773 ( -14.077 -4.541 -5.148) 15.661 22.906 ( 0.460 2.538 3.499) 4.347 22.958 ( -0.082 1.979 -1.394) 2.422 23.377 ( 4.340 -3.529 4.017) 6.887 23.469 ( 3.481 -4.323 -4.606) 7.212 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 1.007 12.235 1.686) 12.391 2.188 ( -4.205 14.189 -8.289) 16.962 2.639 ( 15.145 0.413 9.996) 18.151 2.803 ( 10.950 -2.638 -5.817) 12.677 3.071 ( 4.808 -10.516 6.184) 13.113 3.085 ( -0.749 -9.634 3.863) 10.407 3.223 ( 1.410 -8.534 -1.584) 8.793 3.400 ( -3.811 -2.967 -8.785) 10.026 3.559 ( 1.661 5.240 1.774) 5.776 3.604 ( -1.552 2.997 -0.697) 3.446 3.831 ( -3.290 7.531 6.473) 10.461 3.940 ( -8.853 13.247 -2.376) 16.109 4.030 ( 5.510 -0.224 7.907) 9.640 4.217 ( -5.243 3.702 -5.277) 8.309 4.326 ( -4.626 6.743 9.403) 12.461 4.492 ( -8.040 2.049 -8.490) 11.871 4.614 ( -4.864 3.748 -7.423) 9.634 4.683 ( -9.925 1.409 -8.448) 13.109 4.833 ( -1.700 12.079 3.151) 12.599 5.016 ( -10.387 6.910 -11.339) 16.859 6.075 ( 4.457 -7.292 5.765) 10.309 6.172 ( -0.052 -9.015 -3.324) 9.609 6.304 ( -1.226 -7.688 0.890) 7.836 6.318 ( -1.940 -8.156 -0.122) 8.385 7.149 ( 12.171 -1.670 15.214) 19.555 7.369 ( 0.430 -2.933 4.661) 5.524 7.404 ( 5.218 -4.779 -3.377) 7.840 7.443 ( 3.084 -6.036 0.387) 6.789 7.595 ( 8.275 4.447 0.451) 9.405 7.660 ( 4.952 4.758 -4.434) 8.175 8.014 ( -2.807 -0.480 2.482) 3.778 8.094 ( -5.679 -0.087 -4.597) 7.307 8.660 ( 5.163 -0.847 1.059) 5.338 8.726 ( 2.506 -2.648 -4.560) 5.838 8.831 ( 2.369 -2.054 -3.635) 4.801 8.837 ( 2.014 -1.792 -4.165) 4.961 9.971 ( -0.890 9.631 -0.379) 9.679 9.980 ( -1.184 10.144 -1.119) 10.274 11.073 ( 1.276 -8.570 3.093) 9.200 11.095 ( 0.347 -8.899 0.961) 8.958 11.528 ( 0.827 4.564 0.762) 4.700 11.540 ( 0.326 5.102 -0.305) 5.121 12.231 ( -0.193 -3.044 3.489) 4.634 12.249 ( -1.153 -3.445 1.893) 4.097 12.886 ( 0.066 2.825 3.820) 4.752 12.937 ( -2.254 2.326 -0.068) 3.240 13.139 ( 0.912 -1.308 -5.257) 5.494 13.171 ( -0.550 -1.105 -7.353) 7.456 20.074 ( 8.872 1.486 6.174) 10.911 20.205 ( 10.692 -1.128 -6.274) 12.448 20.424 ( -7.344 -3.014 6.786) 10.443 20.504 ( -3.542 -2.931 -1.312) 4.781 20.724 ( -2.208 10.981 5.154) 12.330 20.894 ( -10.018 8.009 -10.691) 16.697 21.456 ( -5.844 -3.477 5.884) 8.992 21.529 ( -9.799 -3.214 -0.808) 10.344 22.926 ( 1.300 3.010 2.571) 4.167 22.957 ( -0.103 2.665 -0.327) 2.687 23.449 ( 2.907 -4.529 2.406) 5.895 23.506 ( 0.406 -4.961 -2.925) 5.773 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -2.794 14.847 -3.204) 15.443 2.118 ( 2.794 14.847 -3.204) 15.443 2.896 ( -6.350 -2.883 1.368) 7.107 2.896 ( 6.350 -2.883 1.368) 7.107 3.081 ( -1.943 -9.420 7.141) 11.980 3.081 ( 1.943 -9.420 7.141) 11.980 3.263 ( -7.201 -6.724 -7.186) 12.194 3.263 ( 7.201 -6.724 -7.186) 12.194 3.628 ( -1.750 7.732 4.653) 9.192 3.628 ( 1.750 7.732 4.653) 9.192 3.769 ( -2.389 10.883 -1.766) 11.281 3.769 ( 2.389 10.883 -1.766) 11.281 4.165 ( -3.121 -5.051 3.839) 7.070 4.165 ( 3.121 -5.051 3.839) 7.070 4.310 ( -6.433 5.037 -1.907) 8.390 4.310 ( 6.433 5.037 -1.907) 8.390 4.587 ( -1.422 3.379 -9.973) 10.625 4.587 ( 1.422 3.379 -9.973) 10.625 4.867 ( -4.751 11.699 -3.841) 13.199 4.867 ( 4.751 11.699 -3.841) 13.199 6.146 ( -2.604 -7.716 1.287) 8.245 6.146 ( 2.604 -7.716 1.287) 8.245 6.294 ( -0.396 -8.861 0.570) 8.888 6.294 ( 0.396 -8.861 0.570) 8.888 7.321 ( -5.332 -2.314 10.376) 11.893 7.321 ( 5.332 -2.314 10.376) 11.893 7.464 ( -1.121 -6.577 -1.134) 6.768 7.464 ( 1.121 -6.577 -1.134) 6.768 7.704 ( -1.902 5.398 -0.305) 5.731 7.704 ( 1.902 5.398 -0.305) 5.731 8.005 ( -2.512 1.200 -1.872) 3.355 8.005 ( 2.512 1.200 -1.872) 3.355 8.734 ( -1.876 -1.600 -2.815) 3.742 8.734 ( 1.876 -1.600 -2.815) 3.742 8.854 ( -0.147 -2.544 -3.778) 4.557 8.854 ( 0.147 -2.544 -3.778) 4.557 9.965 ( -0.268 10.484 -0.535) 10.501 9.965 ( 0.268 10.484 -0.535) 10.501 11.092 ( -0.625 -9.050 2.148) 9.322 11.092 ( 0.625 -9.050 2.148) 9.322 11.540 ( -0.311 5.456 0.245) 5.471 11.540 ( 0.311 5.456 0.245) 5.471 12.233 ( -0.444 -4.344 2.778) 5.176 12.233 ( 0.444 -4.344 2.778) 5.176 12.901 ( -1.345 3.027 1.575) 3.668 12.901 ( 1.345 3.027 1.575) 3.668 13.157 ( -0.833 -1.160 -6.581) 6.734 13.157 ( 0.833 -1.160 -6.581) 6.734 20.255 ( -9.120 -0.672 7.686) 11.945 20.255 ( 9.120 -0.672 7.686) 11.945 20.399 ( -7.741 -4.697 -5.345) 10.514 20.399 ( 7.741 -4.697 -5.345) 10.514 20.741 ( -4.458 11.526 -2.410) 12.591 20.741 ( 4.458 11.526 -2.410) 12.591 21.412 ( -1.777 -2.840 2.575) 4.225 21.412 ( 1.777 -2.840 2.575) 4.225 22.949 ( -0.833 2.992 1.172) 3.320 22.949 ( 0.833 2.992 1.172) 3.320 23.493 ( -1.547 -4.998 -0.254) 5.238 23.493 ( 1.547 -4.998 -0.254) 5.238 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.000 3.414 14.639) 15.031 2.292 ( 0.000 -1.862 -7.762) 7.982 2.343 ( 0.000 2.304 12.490) 12.701 2.420 ( 0.000 -8.834 18.694) 20.677 2.616 ( 0.000 -1.079 -10.471) 10.526 2.789 ( 0.000 -11.228 -12.267) 16.629 3.195 ( 0.000 11.807 9.769) 15.325 3.433 ( 0.000 6.702 -10.726) 12.647 3.507 ( 0.000 -1.115 1.909) 2.211 3.583 ( 0.000 -2.651 -1.718) 3.159 3.887 ( 0.000 0.122 2.113) 2.117 3.935 ( 0.000 1.708 2.094) 2.702 4.647 ( 0.000 18.254 1.017) 18.283 4.695 ( 0.000 15.392 -4.623) 16.071 4.796 ( 0.000 12.748 4.335) 13.465 4.886 ( 0.000 11.346 -3.085) 11.758 5.352 ( 0.000 -9.021 3.019) 9.513 5.365 ( 0.000 -6.195 5.443) 8.247 5.599 ( 0.000 0.107 12.989) 12.989 5.840 ( 0.000 2.554 -7.017) 7.467 5.868 ( 0.000 2.214 -5.028) 5.493 5.920 ( 0.000 -5.456 -7.505) 9.279 6.235 ( 0.000 -0.139 3.117) 3.121 6.308 ( 0.000 -8.476 0.932) 8.527 6.409 ( 0.000 -2.444 -0.639) 2.526 6.523 ( 0.000 5.726 -11.572) 12.911 6.911 ( 0.000 -7.190 -2.291) 7.546 6.922 ( 0.000 -10.104 -3.466) 10.682 7.450 ( 0.000 3.077 4.492) 5.445 7.553 ( 0.000 4.368 -5.954) 7.385 7.918 ( 0.000 -12.881 4.725) 13.720 8.084 ( 0.000 -14.426 -11.021) 18.154 8.511 ( 0.000 2.018 5.402) 5.767 8.563 ( 0.000 -0.659 1.139) 1.316 8.613 ( 0.000 1.598 -1.434) 2.147 8.636 ( 0.000 0.921 -4.931) 5.016 10.198 ( 0.000 8.323 -0.405) 8.333 10.217 ( 0.000 8.375 -2.163) 8.649 10.858 ( 0.000 -7.749 2.964) 8.296 10.890 ( 0.000 -7.878 -0.181) 7.880 11.520 ( 0.000 1.342 1.529) 2.034 11.540 ( 0.000 0.624 -0.417) 0.751 12.308 ( 0.000 3.151 2.868) 4.261 12.349 ( 0.000 1.658 -1.150) 2.017 12.967 ( 0.000 -0.097 6.246) 6.247 12.979 ( 0.000 -0.679 6.427) 6.462 13.111 ( 0.000 -0.829 -6.637) 6.688 13.127 ( 0.000 -1.319 -7.024) 7.147 19.884 ( 0.000 4.333 0.146) 4.336 19.887 ( 0.000 3.673 -0.183) 3.677 20.625 ( 0.000 0.120 1.249) 1.254 20.638 ( 0.000 0.147 -0.140) 0.203 21.126 ( 0.000 11.683 14.778) 18.838 21.438 ( 0.000 7.602 -13.606) 15.586 21.692 ( 0.000 -9.730 12.095) 15.523 21.964 ( 0.000 -11.562 -12.640) 17.130 22.953 ( 0.000 -0.228 0.499) 0.548 22.954 ( 0.000 -0.451 0.405) 0.607 23.224 ( 0.000 0.082 2.552) 2.553 23.269 ( 0.000 -1.876 -1.735) 2.555 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 5.383 3.973 14.399) 15.878 2.306 ( 2.549 -0.586 2.715) 3.770 2.409 ( 5.831 3.474 -1.324) 6.916 2.462 ( 3.160 -6.959 15.392) 17.185 2.614 ( 1.221 -3.341 -5.121) 6.235 2.846 ( 4.785 -11.157 -11.849) 16.965 3.178 ( -1.512 11.243 9.815) 15.001 3.425 ( -0.714 4.891 -10.800) 11.877 3.512 ( 0.490 -1.215 2.553) 2.869 3.594 ( 0.863 -3.281 -0.609) 3.447 3.874 ( -0.869 1.417 1.612) 2.315 3.942 ( 0.481 1.262 0.404) 1.410 4.633 ( -2.165 17.626 3.446) 18.090 4.697 ( -0.120 14.535 -4.467) 15.206 4.762 ( -3.034 14.109 2.882) 14.717 4.865 ( -2.782 11.015 -4.857) 12.356 5.165 ( -16.375 -3.359 6.265) 17.852 5.250 ( -9.310 -0.636 5.406) 10.785 5.490 ( -23.001 2.602 -7.662) 24.382 5.568 ( -11.512 -4.621 -9.332) 15.524 5.762 ( 0.037 2.439 6.352) 6.804 5.961 ( -0.245 -6.967 -10.930) 12.964 6.209 ( -5.269 -10.525 2.848) 12.110 6.241 ( -4.259 -12.426 0.713) 13.155 6.540 ( 16.200 5.713 12.945) 21.509 6.833 ( 19.110 -1.076 -11.878) 22.526 6.997 ( 9.009 -6.366 0.206) 11.033 7.085 ( 11.912 -5.090 -5.870) 14.222 7.455 ( 0.989 4.255 5.761) 7.229 7.583 ( 2.998 5.303 -6.773) 9.109 7.927 ( 0.825 -11.811 5.063) 12.877 8.089 ( 0.316 -12.824 -10.083) 16.316 8.524 ( 1.593 2.243 4.349) 5.146 8.585 ( 1.566 -0.021 -1.131) 1.932 8.639 ( 3.434 0.500 -0.663) 3.533 8.679 ( 3.458 -0.317 -4.300) 5.527 10.198 ( 0.061 9.077 -0.189) 9.079 10.219 ( 0.211 9.183 -2.115) 9.426 10.856 ( -0.198 -8.433 3.060) 8.973 10.890 ( -0.102 -8.645 -0.224) 8.648 11.536 ( 1.704 1.913 1.556) 2.998 11.558 ( 1.764 1.232 -0.445) 2.197 12.284 ( -2.417 1.972 2.957) 4.298 12.319 ( -2.975 0.599 -0.374) 3.058 12.951 ( -0.617 1.228 5.963) 6.119 13.004 ( 1.331 -0.600 4.462) 4.695 13.094 ( -0.986 -0.573 -6.101) 6.206 13.138 ( 0.571 -1.759 -6.806) 7.052 19.909 ( 2.839 4.154 0.989) 5.128 19.931 ( 4.011 3.035 -1.101) 5.149 20.597 ( -2.888 -0.002 1.550) 3.278 20.613 ( -2.465 -0.134 -0.223) 2.479 21.090 ( -3.323 11.501 13.474) 18.024 21.377 ( -5.773 7.390 -12.747) 15.825 21.627 ( -6.062 -9.066 10.911) 15.427 21.864 ( -9.331 -10.452 -10.593) 17.565 22.949 ( 0.661 1.710 2.097) 2.785 22.981 ( 1.625 0.675 -1.122) 2.087 23.246 ( 1.985 -1.477 3.177) 4.026 23.305 ( 2.951 -3.647 -2.509) 5.320 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 7.174 6.719 13.121) 16.394 2.413 ( 8.236 0.730 2.934) 8.774 2.500 ( 1.079 5.385 2.583) 6.069 2.560 ( 9.034 1.389 -4.252) 10.080 2.703 ( 7.186 -10.648 7.120) 14.687 2.934 ( 3.096 -9.417 -6.974) 12.120 3.150 ( -0.968 8.152 6.910) 10.730 3.409 ( -1.017 0.574 -11.535) 11.594 3.524 ( 1.019 -1.616 4.136) 4.555 3.608 ( 0.497 -3.741 2.552) 4.556 3.864 ( -0.177 2.733 -0.883) 2.877 3.959 ( 1.553 0.990 -2.235) 2.897 4.506 ( -11.490 12.117 7.289) 18.221 4.649 ( -6.187 11.192 -3.603) 13.286 4.702 ( -13.265 5.877 -1.134) 14.552 4.732 ( -2.179 21.769 -2.188) 21.987 4.856 ( -11.025 4.791 -5.012) 13.024 4.999 ( -21.478 -0.974 -12.835) 25.040 5.107 ( -4.977 6.872 9.116) 12.454 5.328 ( -10.899 1.113 -11.359) 15.781 5.823 ( 3.849 -5.663 6.615) 9.521 5.955 ( -0.106 -8.979 -5.758) 10.667 6.125 ( -3.034 -13.767 1.834) 14.216 6.156 ( -3.943 -13.487 -0.403) 14.058 6.870 ( 15.481 2.770 15.951) 22.400 7.129 ( 10.632 -7.430 1.625) 13.072 7.193 ( 9.178 -1.804 -5.851) 11.033 7.287 ( 6.306 -4.552 -4.231) 8.854 7.529 ( 7.726 7.576 5.163) 11.989 7.668 ( 5.465 6.999 -7.096) 11.367 7.948 ( 1.300 -8.420 4.703) 9.732 8.087 ( -0.725 -8.681 -7.844) 11.722 8.575 ( 3.493 1.742 2.195) 4.478 8.628 ( 2.820 -0.265 -2.730) 3.934 8.721 ( 3.998 -1.360 -1.711) 4.557 8.752 ( 3.514 -1.441 -4.093) 5.583 10.202 ( 0.462 11.158 0.291) 11.171 10.226 ( 0.461 11.391 -1.854) 11.550 10.851 ( -0.278 -10.430 3.038) 10.867 10.884 ( -0.532 -10.595 -0.142) 10.609 11.585 ( 3.083 3.745 1.616) 5.113 11.607 ( 3.059 3.245 -0.433) 4.481 12.218 ( -4.112 -1.268 3.104) 5.306 12.241 ( -4.665 -2.142 1.081) 5.246 12.948 ( 0.278 2.960 4.060) 5.032 13.016 ( -0.238 1.720 0.263) 1.756 13.086 ( 0.312 -1.690 -3.605) 3.993 13.143 ( -0.048 -2.120 -6.391) 6.734 19.991 ( 5.380 3.484 2.099) 6.745 20.038 ( 6.687 1.259 -2.359) 7.202 20.515 ( -5.327 -0.311 2.427) 5.863 20.545 ( -4.301 -1.105 -0.645) 4.488 21.013 ( -3.988 11.354 9.967) 15.626 21.233 ( -8.230 7.738 -10.494) 15.419 21.483 ( -7.768 -7.711 8.372) 13.780 21.643 ( -11.927 -8.092 -6.303) 15.731 22.976 ( 1.889 4.074 2.414) 5.098 23.014 ( 1.578 3.255 -1.212) 3.815 23.290 ( 2.238 -4.405 3.453) 6.028 23.357 ( 1.870 -6.222 -2.871) 7.103 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 6.322 11.553 8.958) 15.927 2.489 ( -0.691 12.158 -2.362) 12.405 2.637 ( 11.624 -0.854 5.865) 13.048 2.733 ( 7.281 -2.690 -1.292) 7.869 2.847 ( 5.623 -9.250 5.232) 12.023 2.978 ( 4.214 -4.423 2.055) 6.445 3.117 ( -3.955 1.269 1.136) 4.306 3.348 ( -6.294 -3.385 -9.199) 11.649 3.594 ( 6.628 -0.701 3.006) 7.312 3.638 ( 3.910 -0.892 3.351) 5.226 3.854 ( -1.389 1.716 -1.209) 2.517 4.005 ( 2.128 -1.355 -5.879) 6.398 4.224 ( -14.612 10.154 5.078) 18.505 4.413 ( -15.685 8.803 -6.986) 19.296 4.432 ( -9.474 0.416 -1.507) 9.602 4.560 ( -13.043 3.755 -7.976) 15.742 4.769 ( 0.385 13.801 -4.316) 14.465 4.800 ( -1.937 13.213 -6.663) 14.924 5.070 ( 0.124 9.289 3.332) 9.869 5.169 ( -5.485 6.042 -5.727) 9.969 5.892 ( 3.151 -9.004 3.787) 10.264 5.956 ( -0.019 -10.679 -2.035) 10.871 6.081 ( -1.584 -13.359 0.774) 13.475 6.092 ( -2.507 -13.130 0.147) 13.368 7.125 ( 10.282 -0.058 13.107) 16.659 7.275 ( 4.517 -6.017 6.162) 9.726 7.318 ( 3.312 -3.420 -3.503) 5.911 7.336 ( 0.128 -3.662 2.318) 4.336 7.710 ( 8.509 6.849 1.164) 10.985 7.779 ( 4.984 6.978 -4.325) 9.604 7.974 ( 1.268 -3.810 2.393) 4.675 8.058 ( -2.227 -3.995 -4.972) 6.755 8.654 ( 4.115 0.533 -0.691) 4.206 8.686 ( 2.700 -0.870 -3.542) 4.538 8.778 ( 1.647 -2.396 -2.897) 4.105 8.799 ( 0.896 -2.306 -4.297) 4.958 10.216 ( 0.893 13.749 0.505) 13.787 10.234 ( 0.274 14.027 -1.127) 14.075 10.847 ( -0.007 -12.926 2.451) 13.156 10.869 ( -0.888 -12.879 0.361) 12.915 11.650 ( 3.239 6.909 1.512) 7.779 11.668 ( 2.728 6.852 -0.111) 7.375 12.136 ( -3.661 -5.887 3.189) 7.631 12.150 ( -4.114 -5.955 1.958) 7.498 12.959 ( 0.820 4.047 1.762) 4.490 13.000 ( -1.110 3.679 -1.381) 4.083 13.101 ( 1.020 -2.402 -3.102) 4.053 13.137 ( -0.602 -2.284 -5.651) 6.125 20.113 ( 6.796 2.172 3.201) 7.820 20.183 ( 7.625 -1.130 -3.385) 8.419 20.393 ( -6.814 -0.300 3.487) 7.660 20.448 ( -5.504 -2.508 -1.737) 6.293 20.956 ( -1.251 11.534 5.082) 12.666 21.079 ( -6.946 9.532 -6.580) 13.506 21.354 ( -4.583 -6.504 5.345) 9.585 21.433 ( -8.617 -6.190 -2.036) 10.803 23.014 ( 1.820 5.535 1.980) 6.154 23.039 ( 0.796 5.312 -0.281) 5.379 23.328 ( 1.648 -6.904 2.291) 7.458 23.373 ( -0.184 -7.740 -1.855) 7.961 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -3.944 14.740 3.246) 15.600 2.444 ( 3.944 14.740 3.246) 15.600 2.793 ( -2.466 -6.955 1.034) 7.451 2.793 ( 2.466 -6.955 1.034) 7.451 2.962 ( -9.016 -0.597 8.527) 12.424 2.962 ( 9.016 -0.597 8.527) 12.424 3.167 ( -10.981 -4.255 -7.021) 13.710 3.167 ( 10.981 -4.255 -7.021) 13.710 3.719 ( -3.825 2.628 4.385) 6.385 3.719 ( 3.825 2.628 4.385) 6.385 3.877 ( -10.268 -2.052 -3.335) 10.989 3.877 ( 10.268 -2.052 -3.335) 10.989 4.168 ( -7.529 6.608 -3.417) 10.584 4.168 ( 7.529 6.608 -3.417) 10.584 4.381 ( -4.194 0.004 -6.889) 8.065 4.381 ( 4.194 0.004 -6.889) 8.065 4.781 ( -0.628 15.972 -4.982) 16.743 4.781 ( 0.628 15.972 -4.982) 16.743 5.095 ( -2.372 8.879 -0.852) 9.230 5.095 ( 2.372 8.879 -0.852) 9.230 5.942 ( -1.658 -10.784 1.009) 10.958 5.942 ( 1.658 -10.784 1.009) 10.958 6.064 ( -0.142 -12.788 0.444) 12.797 6.064 ( 0.142 -12.788 0.444) 12.797 7.272 ( -4.659 -1.819 8.454) 9.823 7.272 ( 4.659 -1.819 8.454) 9.823 7.342 ( -0.693 -5.142 1.774) 5.484 7.342 ( 0.693 -5.142 1.774) 5.484 7.819 ( -1.843 6.061 -0.439) 6.350 7.819 ( 1.843 6.061 -0.439) 6.350 8.008 ( -2.423 -1.520 -1.627) 3.291 8.008 ( 2.423 -1.520 -1.627) 3.291 8.712 ( -0.898 -0.114 -2.868) 3.007 8.712 ( 0.898 -0.114 -2.868) 3.007 8.795 ( -0.655 -3.126 -4.002) 5.120 8.795 ( 0.655 -3.126 -4.002) 5.120 10.232 ( -0.528 15.148 -0.075) 15.157 10.232 ( 0.528 15.148 -0.075) 15.157 10.853 ( -0.616 -14.056 1.356) 14.135 10.853 ( 0.616 -14.056 1.356) 14.135 11.693 ( -0.573 9.384 0.789) 9.434 11.693 ( 0.573 9.384 0.789) 9.434 12.100 ( -0.482 -8.712 2.671) 9.125 12.100 ( 0.482 -8.712 2.671) 9.125 12.978 ( -1.083 4.300 -0.236) 4.441 12.978 ( 1.083 4.300 -0.236) 4.441 13.121 ( -0.938 -2.377 -4.450) 5.131 13.121 ( 0.938 -2.377 -4.450) 5.131 20.252 ( -7.094 0.587 3.624) 7.988 20.252 ( 7.094 0.587 3.624) 7.988 20.328 ( -6.657 -2.792 -2.933) 7.792 20.328 ( 6.657 -2.792 -2.933) 7.792 20.975 ( -3.250 11.251 -0.762) 11.736 20.975 ( 3.250 11.251 -0.762) 11.736 21.325 ( -2.020 -5.764 1.775) 6.360 21.325 ( 2.020 -5.764 1.775) 6.360 23.040 ( -0.679 6.080 1.016) 6.202 23.040 ( 0.679 6.080 1.016) 6.202 23.357 ( -1.243 -8.081 0.135) 8.177 23.357 ( 1.243 -8.081 0.135) 8.177 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 2.141 ( 0.000 -8.669 14.716) 17.080 2.141 ( 0.000 8.669 14.716) 17.080 2.372 ( 0.000 -0.464 8.895) 8.907 2.372 ( 0.000 0.464 8.895) 8.907 2.619 ( 0.000 -4.222 -13.650) 14.288 2.619 ( 0.000 4.222 -13.650) 14.288 3.436 ( 0.000 -7.224 0.672) 7.255 3.436 ( 0.000 7.224 0.672) 7.255 3.517 ( 0.000 -3.279 4.610) 5.658 3.517 ( 0.000 3.279 4.610) 5.658 3.926 ( 0.000 -2.638 -3.946) 4.747 3.926 ( 0.000 2.638 -3.946) 4.747 4.852 ( 0.000 -0.138 -3.359) 3.362 4.852 ( 0.000 0.138 -3.359) 3.362 5.050 ( 0.000 -4.472 -3.270) 5.540 5.050 ( 0.000 4.472 -3.270) 5.540 5.208 ( 0.000 -3.914 6.697) 7.757 5.208 ( 0.000 3.914 6.697) 7.757 5.665 ( 0.000 -8.580 -0.293) 8.585 5.665 ( 0.000 8.580 -0.293) 8.585 5.980 ( 0.000 -4.002 -3.597) 5.381 5.980 ( 0.000 4.002 -3.597) 5.381 6.131 ( 0.000 -3.893 4.213) 5.736 6.131 ( 0.000 3.893 4.213) 5.736 6.541 ( 0.000 -6.810 0.568) 6.833 6.541 ( 0.000 6.810 0.568) 6.833 6.810 ( 0.000 -1.587 -8.698) 8.841 6.810 ( 0.000 1.587 -8.698) 8.841 7.565 ( 0.000 -6.696 1.486) 6.859 7.565 ( 0.000 6.696 1.486) 6.859 7.828 ( 0.000 -8.295 -5.966) 10.218 7.828 ( 0.000 8.295 -5.966) 10.218 8.545 ( 0.000 -1.296 3.579) 3.807 8.545 ( 0.000 1.296 3.579) 3.807 8.638 ( 0.000 -0.695 -3.146) 3.222 8.638 ( 0.000 0.695 -3.146) 3.222 10.311 ( 0.000 -0.919 -1.005) 1.362 10.311 ( 0.000 0.919 -1.005) 1.362 10.777 ( 0.000 -1.358 1.205) 1.815 10.777 ( 0.000 1.358 1.205) 1.815 11.539 ( 0.000 -0.582 0.709) 0.917 11.539 ( 0.000 0.582 0.709) 0.917 12.355 ( 0.000 -1.185 0.524) 1.296 12.355 ( 0.000 1.185 0.524) 1.296 12.969 ( 0.000 -0.286 6.227) 6.233 12.969 ( 0.000 0.286 6.227) 6.233 13.107 ( 0.000 -0.469 -6.617) 6.634 13.107 ( 0.000 0.469 -6.617) 6.634 19.929 ( 0.000 -0.053 0.138) 0.147 19.929 ( 0.000 0.053 0.138) 0.147 20.633 ( 0.000 -0.490 0.038) 0.492 20.633 ( 0.000 0.490 0.038) 0.492 21.379 ( 0.000 -12.380 12.930) 17.901 21.379 ( 0.000 12.380 12.930) 17.901 21.719 ( 0.000 -11.451 -12.428) 16.899 21.719 ( 0.000 11.451 -12.428) 16.899 22.950 ( 0.000 -0.049 0.557) 0.559 22.950 ( 0.000 0.049 0.557) 0.559 23.237 ( 0.000 -1.175 0.387) 1.237 23.237 ( 0.000 1.175 0.387) 1.237 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 5.615 -7.962 14.062) 17.107 2.199 ( 5.615 7.962 14.062) 17.107 2.412 ( 4.009 -1.928 8.484) 9.580 2.412 ( 4.009 1.928 8.484) 9.580 2.654 ( 3.346 -7.074 -13.057) 15.222 2.654 ( 3.346 7.074 -13.057) 15.222 3.410 ( -2.477 -7.247 0.287) 7.664 3.410 ( -2.477 7.247 0.287) 7.664 3.522 ( 0.409 -3.180 5.594) 6.448 3.522 ( 0.409 3.180 5.594) 6.448 3.928 ( 0.217 -2.840 -4.921) 5.686 3.928 ( 0.217 2.840 -4.921) 5.686 4.821 ( -4.161 -2.552 -3.291) 5.888 4.821 ( -4.161 2.552 -3.291) 5.888 5.032 ( -2.492 -7.365 -1.903) 8.005 5.032 ( -2.492 7.365 -1.903) 8.005 5.141 ( -5.348 -9.565 4.811) 11.968 5.141 ( -5.348 9.565 4.811) 11.968 5.498 ( -16.226 -2.388 -5.362) 17.255 5.498 ( -16.226 2.388 -5.362) 17.255 5.899 ( -3.792 -5.413 -1.327) 6.741 5.899 ( -3.792 5.413 -1.327) 6.741 6.023 ( -7.457 -2.407 1.876) 8.057 6.023 ( -7.457 2.407 1.876) 8.057 6.708 ( 13.522 -9.568 7.827) 18.321 6.708 ( 13.522 9.568 7.827) 18.321 6.991 ( 13.293 -3.961 -9.999) 17.098 6.991 ( 13.293 3.961 -9.999) 17.098 7.599 ( 3.535 -7.904 2.428) 8.993 7.599 ( 3.535 7.904 2.428) 8.993 7.848 ( 1.919 -8.642 -6.255) 10.840 7.848 ( 1.919 8.642 -6.255) 10.840 8.565 ( 1.930 -1.697 2.196) 3.380 8.565 ( 1.930 1.697 2.196) 3.380 8.662 ( 2.415 -1.287 -2.687) 3.835 8.662 ( 2.415 1.287 -2.687) 3.835 10.324 ( 1.385 -1.053 -0.885) 1.952 10.324 ( 1.385 1.053 -0.885) 1.952 10.764 ( -1.352 -1.455 1.208) 2.324 10.764 ( -1.352 1.455 1.208) 2.324 11.563 ( 2.452 -0.621 0.764) 2.643 11.563 ( 2.452 0.621 0.764) 2.643 12.315 ( -3.970 -0.982 0.994) 4.209 12.315 ( -3.970 0.982 0.994) 4.209 12.980 ( 1.095 -1.547 5.163) 5.500 12.980 ( 1.095 1.547 5.163) 5.500 13.104 ( -0.292 -1.377 -6.323) 6.478 13.104 ( -0.292 1.377 -6.323) 6.478 19.959 ( 2.970 -0.555 0.097) 3.023 19.959 ( 2.970 0.555 0.097) 3.023 20.604 ( -2.898 -0.596 0.103) 2.960 20.604 ( -2.898 0.596 0.103) 2.960 21.333 ( -4.240 -11.548 11.459) 16.812 21.333 ( -4.240 11.548 11.459) 16.812 21.642 ( -7.237 -10.347 -10.717) 16.561 21.642 ( -7.237 10.347 -10.717) 16.561 22.979 ( 2.705 -1.018 0.461) 2.926 22.979 ( 2.705 1.018 0.461) 2.926 23.246 ( 0.755 -1.727 0.411) 1.929 23.246 ( 0.755 1.727 0.411) 1.929 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 8.652 -6.815 12.480) 16.645 2.345 ( 8.652 6.815 12.480) 16.645 2.528 ( 7.559 -4.663 7.227) 11.451 2.528 ( 7.559 4.663 7.227) 11.451 2.740 ( 4.991 -9.568 -10.557) 15.097 2.740 ( 4.991 9.568 -10.557) 15.097 3.346 ( -3.982 -7.456 -1.425) 8.572 3.346 ( -3.982 7.456 -1.425) 8.572 3.533 ( 0.966 -3.010 7.888) 8.498 3.533 ( 0.966 3.010 7.888) 8.498 3.937 ( 0.780 -3.283 -7.488) 8.213 3.937 ( 0.780 3.283 -7.488) 8.213 4.640 ( -13.720 -4.512 -1.828) 14.558 4.640 ( -13.720 4.512 -1.828) 14.558 4.890 ( -14.378 -5.056 -3.172) 15.567 4.890 ( -14.378 5.056 -3.172) 15.567 5.070 ( -1.671 -9.816 -0.052) 9.957 5.070 ( -1.671 9.816 -0.052) 9.957 5.197 ( -8.764 -14.518 -5.607) 17.861 5.197 ( -8.764 14.518 -5.607) 17.861 5.856 ( -1.048 -9.182 2.041) 9.464 5.856 ( -1.048 9.182 2.041) 9.464 5.917 ( -3.275 -6.509 -0.832) 7.334 5.917 ( -3.275 6.509 -0.832) 7.334 6.971 ( 12.082 -7.120 11.515) 18.146 6.971 ( 12.082 7.120 11.515) 18.146 7.208 ( 7.606 -2.834 -6.817) 10.600 7.208 ( 7.606 2.834 -6.817) 10.600 7.707 ( 7.233 -8.252 2.449) 11.243 7.707 ( 7.233 8.252 2.449) 11.243 7.896 ( 2.695 -8.354 -5.944) 10.601 7.896 ( 2.695 8.354 -5.944) 10.601 8.613 ( 2.834 -1.608 -0.571) 3.308 8.613 ( 2.834 1.608 -0.571) 3.308 8.721 ( 2.989 -1.295 -2.356) 4.020 8.721 ( 2.989 1.295 -2.356) 4.020 10.368 ( 3.110 -1.397 -0.530) 3.451 10.368 ( 3.110 1.397 -0.530) 3.451 10.722 ( -2.956 -1.666 1.158) 3.586 10.722 ( -2.956 1.666 1.158) 3.586 11.636 ( 4.844 -0.721 0.961) 4.991 11.636 ( 4.844 0.721 0.961) 4.991 12.207 ( -6.727 -0.675 1.739) 6.981 12.207 ( -6.727 0.675 1.739) 6.981 13.007 ( 1.478 -2.553 2.762) 4.041 13.007 ( 1.478 2.553 2.762) 4.041 13.095 ( -0.600 -2.358 -5.462) 5.979 13.095 ( -0.600 2.358 -5.462) 5.979 20.041 ( 5.155 -1.199 0.007) 5.292 20.041 ( 5.155 1.199 0.007) 5.292 20.523 ( -5.233 -0.949 0.207) 5.322 20.523 ( -5.233 0.949 0.207) 5.322 21.236 ( -4.972 -9.635 7.978) 13.461 21.236 ( -4.972 9.635 7.978) 13.461 21.467 ( -9.656 -8.201 -6.937) 14.443 21.467 ( -9.656 8.201 -6.937) 14.443 23.045 ( 3.726 -1.552 0.451) 4.061 23.045 ( 3.726 1.552 0.451) 4.061 23.255 ( -0.102 -2.393 0.495) 2.445 23.255 ( -0.102 2.393 0.495) 2.445 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 8.277 -6.215 10.002) 14.394 2.517 ( 8.277 6.215 10.002) 14.394 2.670 ( 4.430 -4.669 5.316) 8.348 2.670 ( 4.430 4.669 5.316) 8.348 2.850 ( 7.449 -7.476 -4.400) 11.434 2.850 ( 7.449 7.476 -4.400) 11.434 3.240 ( -7.416 -7.372 -2.392) 10.726 3.240 ( -7.416 7.372 -2.392) 10.726 3.594 ( 6.454 -1.650 6.486) 9.298 3.594 ( 6.454 1.650 6.486) 9.298 3.939 ( -2.144 -5.045 -9.575) 11.033 3.939 ( -2.144 5.045 -9.575) 11.033 4.368 ( -11.110 -5.455 -0.292) 12.381 4.368 ( -11.110 5.455 -0.292) 12.381 4.545 ( -16.565 -4.141 -8.524) 19.084 4.545 ( -16.565 4.141 -8.524) 19.084 5.070 ( 1.120 -7.311 -0.757) 7.435 5.070 ( 1.120 7.311 -0.757) 7.435 5.124 ( -1.549 -9.721 -3.142) 10.333 5.124 ( -1.549 9.721 -3.142) 10.333 5.847 ( 0.029 -6.674 2.044) 6.980 5.847 ( 0.029 6.674 2.044) 6.980 5.875 ( -1.413 -5.158 -0.571) 5.378 5.875 ( -1.413 5.158 -0.571) 5.378 7.165 ( 7.546 -4.126 9.779) 13.023 7.165 ( 7.546 4.126 9.779) 13.023 7.290 ( 1.245 -0.714 -0.198) 1.449 7.290 ( 1.245 0.714 -0.198) 1.449 7.851 ( 6.397 -6.001 0.934) 8.820 7.851 ( 6.397 6.001 0.934) 8.820 7.941 ( 1.469 -6.499 -3.904) 7.722 7.941 ( 1.469 6.499 -3.904) 7.722 8.675 ( 3.377 -1.006 -2.720) 4.451 8.675 ( 3.377 1.006 -2.720) 4.451 8.758 ( 0.472 -0.991 -2.994) 3.188 8.758 ( 0.472 0.991 -2.994) 3.188 10.447 ( 4.761 -1.759 -0.005) 5.076 10.447 ( 4.761 1.759 -0.005) 5.076 10.647 ( -4.537 -1.861 0.949) 4.995 10.647 ( -4.537 1.861 0.949) 4.995 11.752 ( 6.846 -0.826 1.333) 7.024 11.752 ( 6.846 0.826 1.333) 7.024 12.060 ( -8.044 -0.723 2.013) 8.323 12.060 ( -8.044 0.723 2.013) 8.323 13.035 ( 1.381 -3.042 0.132) 3.344 13.035 ( 1.381 3.042 0.132) 3.344 13.081 ( -0.895 -2.951 -4.077) 5.112 13.081 ( -0.895 2.951 -4.077) 5.112 20.154 ( 6.185 -1.775 -0.040) 6.435 20.154 ( 6.185 1.775 -0.040) 6.435 20.407 ( -6.357 -1.507 0.179) 6.536 20.407 ( -6.357 1.507 0.179) 6.536 21.164 ( -1.757 -7.662 4.131) 8.881 21.164 ( -1.757 7.662 4.131) 8.881 21.291 ( -7.733 -6.641 -2.940) 10.609 21.291 ( -7.733 6.641 -2.940) 10.609 23.119 ( 3.720 -1.922 0.560) 4.225 23.119 ( 3.720 1.922 0.560) 4.225 23.237 ( -1.790 -2.536 0.598) 3.161 23.237 ( -1.790 2.536 0.598) 3.161 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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| 2.653 ( -4.053 -7.026 6.660) 10.495 2.653 ( 2.123 -6.810 6.660) 9.759 2.653 ( -2.123 6.810 6.660) 9.759 2.653 ( 4.053 7.026 6.660) 10.495 3.050 ( -11.233 -7.097 -1.206) 13.342 3.050 ( 11.232 -7.097 -1.206) 13.341 3.050 ( -11.232 7.097 -1.206) 13.341 3.050 ( 11.233 7.097 -1.206) 13.342 3.788 ( -11.226 -4.403 -1.193) 12.118 3.788 ( -6.976 0.207 -1.193) 7.080 3.788 ( 6.976 -0.207 -1.193) 7.080 3.788 ( 11.226 4.403 -1.193) 12.118 4.315 ( -5.817 -6.060 -6.895) 10.868 4.315 ( 5.797 -6.055 -6.895) 10.854 4.315 ( -5.797 6.055 -6.895) 10.854 4.315 ( 5.817 6.060 -6.895) 10.868 5.097 ( -0.978 -10.753 -1.926) 10.968 5.097 ( 0.877 -10.751 -1.926) 10.958 5.097 ( -0.877 10.751 -1.926) 10.958 5.097 ( 0.978 10.753 -1.926) 10.968 5.855 ( -0.659 -4.956 0.827) 5.067 5.855 ( 0.648 -4.955 0.827) 5.066 5.855 ( -0.648 4.955 0.827) 5.066 5.855 ( 0.659 4.956 0.827) 5.067 7.270 ( -3.094 -1.779 5.430) 6.498 7.270 ( 0.274 -0.888 5.430) 5.509 7.270 ( -0.274 0.888 5.430) 5.509 7.270 ( 3.094 1.779 5.430) 6.498 7.937 ( -2.080 -5.183 -1.056) 5.684 7.937 ( 1.953 -5.171 -1.056) 5.627 7.937 ( -1.953 5.171 -1.056) 5.627 7.937 ( 2.080 5.183 -1.056) 5.684 8.737 ( -1.532 -2.186 -3.492) 4.396 8.737 ( -0.669 -2.075 -3.492) 4.117 8.737 ( 0.669 2.075 -3.492) 4.117 8.737 ( 1.532 2.186 -3.492) 4.396 10.548 ( -1.498 -15.641 0.539) 15.722 10.548 ( -0.253 -15.624 0.539) 15.635 10.548 ( 0.253 15.624 0.539) 15.635 10.548 ( 1.498 15.641 0.539) 15.722 11.900 ( -3.336 -10.011 1.776) 10.701 11.900 ( -2.291 -9.938 1.776) 10.352 11.900 ( 2.291 9.938 1.776) 10.352 11.900 ( 3.336 10.011 1.776) 10.701 13.060 ( -1.034 -3.651 -2.201) 4.387 13.060 ( 0.938 -3.644 -2.201) 4.360 13.060 ( -0.938 3.644 -2.201) 4.360 13.060 ( 1.034 3.651 -2.201) 4.387 20.279 ( -6.421 -1.972 0.038) 6.717 20.279 ( -5.854 1.465 0.038) 6.035 20.279 ( 5.854 -1.465 0.038) 6.035 20.279 ( 6.421 1.972 0.038) 6.717 21.179 ( -2.703 -8.735 0.623) 9.165 21.179 ( 2.100 -8.694 0.623) 8.966 21.179 ( -2.100 8.694 0.623) 8.966 21.179 ( 2.703 8.735 0.623) 9.165 23.187 ( -1.353 -8.157 0.629) 8.293 23.187 ( 0.286 -8.131 0.629) 8.160 23.187 ( -0.286 8.131 0.629) 8.160 23.187 ( 1.353 8.157 0.629) 8.293 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 1007.284 509.761 527.394 0.000 0.000 0.000 3/25920 20.0 229.196 192.097 235.619 0.000 0.000 0.000 3/25920 30.0 104.598 90.089 107.987 0.000 0.000 0.000 3/25920 40.0 60.671 53.757 63.149 0.000 0.000 0.000 3/25920 50.0 40.330 36.755 42.220 0.000 0.000 0.000 3/25920 60.0 29.270 27.313 30.761 0.000 0.000 0.000 3/25920 70.0 22.587 21.485 23.805 0.000 0.000 0.000 3/25920 80.0 18.227 17.608 19.252 0.000 0.000 0.000 3/25920 90.0 15.207 14.879 16.093 0.000 0.000 0.000 3/25920 100.0 13.016 12.871 13.797 0.000 0.000 0.000 3/25920 110.0 11.367 11.340 12.065 0.000 0.000 0.000 3/25920 120.0 10.086 10.138 10.719 0.000 0.000 0.000 3/25920 130.0 9.066 9.172 9.645 0.000 0.000 0.000 3/25920 140.0 8.236 8.379 8.771 0.000 0.000 0.000 3/25920 150.0 7.550 7.718 8.046 0.000 0.000 0.000 3/25920 160.0 6.974 7.157 7.435 0.000 0.000 0.000 3/25920 170.0 6.483 6.677 6.914 0.000 0.000 0.000 3/25920 180.0 6.061 6.260 6.464 0.000 0.000 0.000 3/25920 190.0 5.693 5.895 6.071 0.000 0.000 0.000 3/25920 200.0 5.371 5.572 5.726 0.000 0.000 0.000 3/25920 210.0 5.085 5.285 5.420 0.000 0.000 0.000 3/25920 220.0 4.831 5.027 5.146 0.000 0.000 0.000 3/25920 230.0 4.603 4.795 4.900 0.000 0.000 0.000 3/25920 240.0 4.397 4.585 4.678 0.000 0.000 0.000 3/25920 250.0 4.210 4.393 4.476 0.000 0.000 0.000 3/25920 260.0 4.039 4.217 4.292 0.000 0.000 0.000 3/25920 270.0 3.883 4.056 4.123 0.000 0.000 0.000 3/25920 280.0 3.740 3.907 3.967 0.000 0.000 0.000 3/25920 290.0 3.607 3.769 3.823 0.000 0.000 0.000 3/25920 300.0 3.484 3.641 3.690 0.000 0.000 0.000 3/25920 310.0 3.369 3.522 3.566 0.000 0.000 0.000 3/25920 320.0 3.263 3.411 3.450 0.000 0.000 0.000 3/25920 330.0 3.163 3.306 3.342 0.000 0.000 0.000 3/25920 340.0 3.070 3.208 3.241 0.000 0.000 0.000 3/25920 350.0 2.982 3.116 3.146 0.000 0.000 0.000 3/25920 360.0 2.899 3.029 3.056 0.000 0.000 0.000 3/25920 370.0 2.821 2.947 2.972 0.000 0.000 0.000 3/25920 380.0 2.747 2.870 2.892 0.000 0.000 0.000 3/25920 390.0 2.677 2.796 2.817 0.000 0.000 0.000 3/25920 400.0 2.611 2.727 2.745 0.000 0.000 0.000 3/25920 410.0 2.548 2.661 2.677 0.000 0.000 0.000 3/25920 420.0 2.488 2.598 2.613 0.000 0.000 0.000 3/25920 430.0 2.431 2.537 2.551 0.000 0.000 0.000 3/25920 440.0 2.377 2.480 2.493 0.000 0.000 0.000 3/25920 450.0 2.325 2.425 2.437 0.000 0.000 0.000 3/25920 460.0 2.275 2.373 2.384 0.000 0.000 0.000 3/25920 470.0 2.227 2.323 2.333 0.000 0.000 0.000 3/25920 480.0 2.182 2.275 2.284 0.000 0.000 0.000 3/25920 490.0 2.138 2.229 2.237 0.000 0.000 0.000 3/25920 500.0 2.096 2.185 2.192 0.000 0.000 0.000 3/25920 510.0 2.056 2.142 2.149 0.000 0.000 0.000 3/25920 520.0 2.017 2.102 2.107 0.000 0.000 0.000 3/25920 530.0 1.979 2.062 2.068 0.000 0.000 0.000 3/25920 540.0 1.943 2.025 2.029 0.000 0.000 0.000 3/25920 550.0 1.909 1.988 1.992 0.000 0.000 0.000 3/25920 560.0 1.875 1.953 1.957 0.000 0.000 0.000 3/25920 570.0 1.843 1.919 1.922 0.000 0.000 0.000 3/25920 580.0 1.812 1.886 1.889 0.000 0.000 0.000 3/25920 590.0 1.781 1.855 1.857 0.000 0.000 0.000 3/25920 600.0 1.752 1.824 1.826 0.000 0.000 0.000 3/25920 610.0 1.724 1.794 1.796 0.000 0.000 0.000 3/25920 620.0 1.697 1.766 1.767 0.000 0.000 0.000 3/25920 630.0 1.670 1.738 1.739 0.000 0.000 0.000 3/25920 640.0 1.645 1.711 1.712 0.000 0.000 0.000 3/25920 650.0 1.620 1.685 1.686 0.000 0.000 0.000 3/25920 660.0 1.596 1.660 1.660 0.000 0.000 0.000 3/25920 670.0 1.572 1.635 1.636 0.000 0.000 0.000 3/25920 680.0 1.549 1.611 1.612 0.000 0.000 0.000 3/25920 690.0 1.527 1.588 1.588 0.000 0.000 0.000 3/25920 700.0 1.506 1.566 1.566 0.000 0.000 0.000 3/25920 710.0 1.485 1.544 1.544 0.000 0.000 0.000 3/25920 720.0 1.465 1.523 1.522 0.000 0.000 0.000 3/25920 730.0 1.445 1.502 1.501 0.000 0.000 0.000 3/25920 740.0 1.426 1.482 1.481 0.000 0.000 0.000 3/25920 750.0 1.407 1.462 1.461 0.000 0.000 0.000 3/25920 760.0 1.389 1.443 1.442 0.000 0.000 0.000 3/25920 770.0 1.371 1.425 1.424 0.000 0.000 0.000 3/25920 780.0 1.354 1.407 1.405 0.000 0.000 0.000 3/25920 790.0 1.337 1.389 1.388 0.000 0.000 0.000 3/25920 800.0 1.320 1.372 1.370 0.000 0.000 0.000 3/25920 810.0 1.304 1.355 1.353 0.000 0.000 0.000 3/25920 820.0 1.289 1.339 1.337 0.000 0.000 0.000 3/25920 830.0 1.273 1.323 1.321 0.000 0.000 0.000 3/25920 840.0 1.258 1.307 1.305 0.000 0.000 0.000 3/25920 850.0 1.244 1.292 1.290 0.000 0.000 0.000 3/25920 860.0 1.229 1.277 1.275 0.000 0.000 0.000 3/25920 870.0 1.216 1.262 1.260 0.000 0.000 0.000 3/25920 880.0 1.202 1.248 1.246 0.000 0.000 0.000 3/25920 890.0 1.189 1.234 1.232 0.000 0.000 0.000 3/25920 900.0 1.175 1.221 1.218 0.000 0.000 0.000 3/25920 910.0 1.163 1.207 1.205 0.000 0.000 0.000 3/25920 920.0 1.150 1.194 1.192 0.000 0.000 0.000 3/25920 930.0 1.138 1.182 1.179 0.000 0.000 0.000 3/25920 940.0 1.126 1.169 1.167 0.000 0.000 0.000 3/25920 950.0 1.114 1.157 1.154 0.000 0.000 0.000 3/25920 960.0 1.103 1.145 1.142 0.000 0.000 0.000 3/25920 970.0 1.092 1.133 1.131 0.000 0.000 0.000 3/25920 980.0 1.081 1.122 1.119 0.000 0.000 0.000 3/25920 990.0 1.070 1.110 1.108 0.000 0.000 0.000 3/25920 1000.0 1.059 1.099 1.097 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:21:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|