----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:46:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.753259494999999 -6.658974805000000 0.000000000000000 b 4.753259494999999 6.658974805000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.908763040000000 Atomic positions (fractional): *1 La 0.79011457194150 0.79011457194150 0.50000000000000 138.905 *2 La 0.63783018299685 0.36216981700315 0.00000000000000 138.905 3 La 0.20988542805850 0.20988542805850 0.50000000000000 138.905 4 La 0.36216981700315 0.63783018299685 0.00000000000000 138.905 *5 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 6 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 *7 N 0.34349411531672 0.34349411531672 0.00000000000000 14.007 8 N 0.65650588468328 0.65650588468328 0.00000000000000 14.007 *9 N 0.15173856248289 0.50323295153738 0.50000000000000 14.007 10 N 0.84826143751711 0.49676704846262 0.50000000000000 14.007 11 N 0.49676704846262 0.84826143751711 0.50000000000000 14.007 12 N 0.50323295153738 0.15173856248289 0.50000000000000 14.007 *13 Cl 0.12219144401799 0.87780855598201 0.00000000000000 35.453 14 Cl 0.87780855598201 0.12219144401799 0.00000000000000 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.506518989999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.317949609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.908763040000000 Atomic positions (fractional): *1 La 0.79011457194150 0.00000000000000 0.50000000000000 138.905 > 1 *2 La 0.50000000000000 0.86216981700315 0.00000000000000 138.905 > 2 3 La 0.20988542805850 0.00000000000000 0.50000000000000 138.905 > 3 4 La 0.50000000000000 0.13783018299685 0.00000000000000 138.905 > 4 5 La 0.29011457194149 0.50000000000000 0.50000000000000 138.905 > 1 6 La 0.00000000000000 0.36216981700315 0.00000000000000 138.905 > 2 7 La 0.70988542805850 0.50000000000000 0.50000000000000 138.905 > 3 8 La 0.00000000000000 0.63783018299685 0.00000000000000 138.905 > 4 *9 C 0.75000000000000 0.75000000000000 0.50000000000000 12.011 > 5 10 C 0.75000000000000 0.25000000000000 0.50000000000000 12.011 > 6 11 C 0.25000000000000 0.25000000000000 0.50000000000000 12.011 > 5 12 C 0.25000000000000 0.75000000000000 0.50000000000000 12.011 > 6 *13 N 0.34349411531672 0.00000000000000 0.00000000000000 14.007 > 7 14 N 0.65650588468328 0.00000000000000 0.00000000000000 14.007 > 8 *15 N 0.32748575701013 0.17574719452724 0.50000000000000 14.007 > 9 16 N 0.67251424298987 0.82425280547276 0.50000000000000 14.007 > 10 17 N 0.67251424298987 0.17574719452724 0.50000000000000 14.007 > 11 18 N 0.32748575701013 0.82425280547276 0.50000000000000 14.007 > 12 19 N 0.84349411531672 0.50000000000000 0.00000000000000 14.007 > 7 20 N 0.15650588468328 0.50000000000000 0.00000000000000 14.007 > 8 21 N 0.82748575701013 0.67574719452724 0.50000000000000 14.007 > 9 22 N 0.17251424298987 0.32425280547276 0.50000000000000 14.007 > 10 23 N 0.17251424298987 0.67574719452724 0.50000000000000 14.007 > 11 24 N 0.82748575701013 0.32425280547276 0.50000000000000 14.007 > 12 *25 Cl 0.50000000000000 0.37780855598201 0.00000000000000 35.453 > 13 26 Cl 0.50000000000000 0.62219144401799 0.00000000000000 35.453 > 14 27 Cl 0.00000000000000 0.87780855598201 0.00000000000000 35.453 > 13 28 Cl 0.00000000000000 0.12219144401799 0.00000000000000 35.453 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.506518989999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.317949609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.726289120000001 Atomic positions (fractional): *1 La 0.79011457194150 0.00000000000000 0.16666666666667 138.905 > 1 2 La 0.79011457194150 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.79011457194150 0.00000000000000 0.83333333333333 138.905 > 1 *4 La 0.50000000000000 0.86216981700315 0.00000000000000 138.905 > 2 5 La 0.50000000000000 0.86216981700315 0.33333333333333 138.905 > 2 6 La 0.50000000000000 0.86216981700315 0.66666666666667 138.905 > 2 7 La 0.20988542805850 0.00000000000000 0.16666666666667 138.905 > 3 8 La 0.20988542805850 0.00000000000000 0.50000000000000 138.905 > 3 9 La 0.20988542805850 0.00000000000000 0.83333333333333 138.905 > 3 10 La 0.50000000000000 0.13783018299685 0.00000000000000 138.905 > 4 11 La 0.50000000000000 0.13783018299685 0.33333333333333 138.905 > 4 12 La 0.50000000000000 0.13783018299685 0.66666666666667 138.905 > 4 13 La 0.29011457194149 0.50000000000000 0.16666666666667 138.905 > 1 14 La 0.29011457194149 0.50000000000000 0.50000000000000 138.905 > 1 15 La 0.29011457194149 0.50000000000000 0.83333333333333 138.905 > 1 16 La 0.00000000000000 0.36216981700315 0.00000000000000 138.905 > 2 17 La 0.00000000000000 0.36216981700315 0.33333333333333 138.905 > 2 18 La 0.00000000000000 0.36216981700315 0.66666666666667 138.905 > 2 19 La 0.70988542805850 0.50000000000000 0.16666666666667 138.905 > 3 20 La 0.70988542805850 0.50000000000000 0.50000000000000 138.905 > 3 21 La 0.70988542805850 0.50000000000000 0.83333333333333 138.905 > 3 22 La 0.00000000000000 0.63783018299685 0.00000000000000 138.905 > 4 23 La 0.00000000000000 0.63783018299685 0.33333333333333 138.905 > 4 24 La 0.00000000000000 0.63783018299685 0.66666666666667 138.905 > 4 *25 C 0.75000000000000 0.75000000000000 0.16666666666667 12.011 > 5 26 C 0.75000000000000 0.75000000000000 0.50000000000000 12.011 > 5 27 C 0.75000000000000 0.75000000000000 0.83333333333333 12.011 > 5 28 C 0.75000000000000 0.25000000000000 0.16666666666667 12.011 > 6 29 C 0.75000000000000 0.25000000000000 0.50000000000000 12.011 > 6 30 C 0.75000000000000 0.25000000000000 0.83333333333333 12.011 > 6 31 C 0.25000000000000 0.25000000000000 0.16666666666667 12.011 > 5 32 C 0.25000000000000 0.25000000000000 0.50000000000000 12.011 > 5 33 C 0.25000000000000 0.25000000000000 0.83333333333333 12.011 > 5 34 C 0.25000000000000 0.75000000000000 0.16666666666667 12.011 > 6 35 C 0.25000000000000 0.75000000000000 0.50000000000000 12.011 > 6 36 C 0.25000000000000 0.75000000000000 0.83333333333333 12.011 > 6 *37 N 0.34349411531672 0.00000000000000 0.00000000000000 14.007 > 7 38 N 0.34349411531672 0.00000000000000 0.33333333333333 14.007 > 7 39 N 0.34349411531672 0.00000000000000 0.66666666666667 14.007 > 7 40 N 0.65650588468328 0.00000000000000 0.00000000000000 14.007 > 8 41 N 0.65650588468328 0.00000000000000 0.33333333333333 14.007 > 8 42 N 0.65650588468328 0.00000000000000 0.66666666666667 14.007 > 8 *43 N 0.32748575701013 0.17574719452724 0.16666666666667 14.007 > 9 44 N 0.32748575701013 0.17574719452724 0.50000000000000 14.007 > 9 45 N 0.32748575701013 0.17574719452724 0.83333333333333 14.007 > 9 46 N 0.67251424298987 0.82425280547276 0.16666666666667 14.007 > 10 47 N 0.67251424298987 0.82425280547276 0.50000000000000 14.007 > 10 48 N 0.67251424298987 0.82425280547276 0.83333333333333 14.007 > 10 49 N 0.67251424298987 0.17574719452724 0.16666666666667 14.007 > 11 50 N 0.67251424298987 0.17574719452724 0.50000000000000 14.007 > 11 51 N 0.67251424298987 0.17574719452724 0.83333333333333 14.007 > 11 52 N 0.32748575701013 0.82425280547276 0.16666666666667 14.007 > 12 53 N 0.32748575701013 0.82425280547276 0.50000000000000 14.007 > 12 54 N 0.32748575701013 0.82425280547276 0.83333333333333 14.007 > 12 55 N 0.84349411531672 0.50000000000000 0.00000000000000 14.007 > 7 56 N 0.84349411531672 0.50000000000000 0.33333333333333 14.007 > 7 57 N 0.84349411531672 0.50000000000000 0.66666666666667 14.007 > 7 58 N 0.15650588468328 0.50000000000000 0.00000000000000 14.007 > 8 59 N 0.15650588468328 0.50000000000000 0.33333333333333 14.007 > 8 60 N 0.15650588468328 0.50000000000000 0.66666666666667 14.007 > 8 61 N 0.82748575701013 0.67574719452724 0.16666666666667 14.007 > 9 62 N 0.82748575701013 0.67574719452724 0.50000000000000 14.007 > 9 63 N 0.82748575701013 0.67574719452724 0.83333333333333 14.007 > 9 64 N 0.17251424298987 0.32425280547276 0.16666666666667 14.007 > 10 65 N 0.17251424298987 0.32425280547276 0.50000000000000 14.007 > 10 66 N 0.17251424298987 0.32425280547276 0.83333333333333 14.007 > 10 67 N 0.17251424298987 0.67574719452724 0.16666666666667 14.007 > 11 68 N 0.17251424298987 0.67574719452724 0.50000000000000 14.007 > 11 69 N 0.17251424298987 0.67574719452724 0.83333333333333 14.007 > 11 70 N 0.82748575701013 0.32425280547276 0.16666666666667 14.007 > 12 71 N 0.82748575701013 0.32425280547276 0.50000000000000 14.007 > 12 72 N 0.82748575701013 0.32425280547276 0.83333333333333 14.007 > 12 *73 Cl 0.50000000000000 0.37780855598201 0.00000000000000 35.453 > 13 74 Cl 0.50000000000000 0.37780855598201 0.33333333333333 35.453 > 13 75 Cl 0.50000000000000 0.37780855598201 0.66666666666667 35.453 > 13 76 Cl 0.50000000000000 0.62219144401799 0.00000000000000 35.453 > 14 77 Cl 0.50000000000000 0.62219144401799 0.33333333333333 35.453 > 14 78 Cl 0.50000000000000 0.62219144401799 0.66666666666667 35.453 > 14 79 Cl 0.00000000000000 0.87780855598201 0.00000000000000 35.453 > 13 80 Cl 0.00000000000000 0.87780855598201 0.33333333333333 35.453 > 13 81 Cl 0.00000000000000 0.87780855598201 0.66666666666667 35.453 > 13 82 Cl 0.00000000000000 0.12219144401799 0.00000000000000 35.453 > 14 83 Cl 0.00000000000000 0.12219144401799 0.33333333333333 35.453 > 14 84 Cl 0.00000000000000 0.12219144401799 0.66666666666667 35.453 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1765719 0.0000000 0.0000000 0.0000000 5.5551539 0.0000000 0.0000000 0.0000000 5.0269716 -------------------------- Born effective charges -------------------------- 1 La 3.1501222 0.0000000 0.0000000 0.0000000 3.5006973 0.0000000 0.0000000 0.0000000 5.4426813 2 La 4.5623625 0.0000000 0.0000000 0.0000000 4.3152232 0.0000000 0.0000000 0.0000000 3.1360329 3 La 3.1501222 0.0000000 0.0000000 0.0000000 3.5006973 0.0000000 0.0000000 0.0000000 5.4426813 4 La 4.5623625 0.0000000 0.0000000 0.0000000 4.3152232 0.0000000 0.0000000 0.0000000 3.1360329 5 C 2.2033092 -3.0640789 0.0000000 -3.1187956 4.2260902 0.0000000 0.0000000 0.0000000 -0.1852305 6 C 2.2033092 3.0640789 0.0000000 3.1187956 4.2260902 0.0000000 0.0000000 0.0000000 -0.1852305 7 N -3.5439059 0.0000000 0.0000000 0.0000000 -3.3773652 0.0000000 0.0000000 0.0000000 -4.3456776 8 N -3.5439059 0.0000000 0.0000000 0.0000000 -3.3773652 0.0000000 0.0000000 0.0000000 -4.3456776 9 N -2.4986559 1.6774885 0.0000000 1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 10 N -2.4986559 1.6774885 0.0000000 1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 11 N -2.4986559 -1.6774885 0.0000000 -1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 12 N -2.4986559 -1.6774885 0.0000000 -1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 13 Cl -1.3745762 0.0000000 0.0000000 0.0000000 -1.5010389 0.0000000 0.0000000 0.0000000 -1.4706794 14 Cl -1.3745762 0.0000000 0.0000000 0.0000000 -1.5010389 0.0000000 0.0000000 0.0000000 -1.4706794 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 6207/6207 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 792 Number of blocks in projector: 792 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (792, 770), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (144, 138), data: True |-- (144, 138), data: True |-- (144, 138), data: True |-- (168, 164), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.539 Solver_block: 200 / 240 - Time: 0.540 Solver_block: 240 / 240 - Time: 0.257 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.349 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 6207/6207 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 792 Number of blocks in projector: 792 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (792, 770), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (144, 138), data: True |-- (144, 138), data: True |-- (144, 138), data: True |-- (168, 164), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xy) -0.00000000 (xy) 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 17:46:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:46:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.753259494999999 -6.658974805000000 0.000000000000000 b 4.753259494999999 6.658974805000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.908763040000000 Atomic positions (fractional): 1 La 0.79011457194150 0.79011457194150 0.50000000000000 138.905 2 La 0.63783018299685 0.36216981700315 0.00000000000000 138.905 3 La 0.20988542805850 0.20988542805850 0.50000000000000 138.905 4 La 0.36216981700315 0.63783018299685 0.00000000000000 138.905 5 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 6 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 7 N 0.34349411531672 0.34349411531672 0.00000000000000 14.007 8 N 0.65650588468328 0.65650588468328 0.00000000000000 14.007 9 N 0.15173856248289 0.50323295153738 0.50000000000000 14.007 10 N 0.84826143751711 0.49676704846262 0.50000000000000 14.007 11 N 0.49676704846262 0.84826143751711 0.50000000000000 14.007 12 N 0.50323295153738 0.15173856248289 0.50000000000000 14.007 13 Cl 0.12219144401799 0.87780855598201 0.00000000000000 35.453 14 Cl 0.87780855598201 0.12219144401799 0.00000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.506518989999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.317949609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.726289120000001 Atomic positions (fractional): 1 La 0.79011457194150 0.00000000000000 0.16666666666667 138.905 > 1 2 La 0.79011457194150 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.79011457194150 0.00000000000000 0.83333333333333 138.905 > 1 4 La 0.50000000000000 0.86216981700315 0.00000000000000 138.905 > 4 5 La 0.50000000000000 0.86216981700315 0.33333333333333 138.905 > 4 6 La 0.50000000000000 0.86216981700315 0.66666666666667 138.905 > 4 7 La 0.20988542805850 0.00000000000000 0.16666666666667 138.905 > 7 8 La 0.20988542805850 0.00000000000000 0.50000000000000 138.905 > 7 9 La 0.20988542805850 0.00000000000000 0.83333333333333 138.905 > 7 10 La 0.50000000000000 0.13783018299685 0.00000000000000 138.905 > 10 11 La 0.50000000000000 0.13783018299685 0.33333333333333 138.905 > 10 12 La 0.50000000000000 0.13783018299685 0.66666666666667 138.905 > 10 13 La 0.29011457194149 0.50000000000000 0.16666666666667 138.905 > 1 14 La 0.29011457194149 0.50000000000000 0.50000000000000 138.905 > 1 15 La 0.29011457194149 0.50000000000000 0.83333333333333 138.905 > 1 16 La 0.00000000000000 0.36216981700315 0.00000000000000 138.905 > 4 17 La 0.00000000000000 0.36216981700315 0.33333333333333 138.905 > 4 18 La 0.00000000000000 0.36216981700315 0.66666666666667 138.905 > 4 19 La 0.70988542805850 0.50000000000000 0.16666666666667 138.905 > 7 20 La 0.70988542805850 0.50000000000000 0.50000000000000 138.905 > 7 21 La 0.70988542805850 0.50000000000000 0.83333333333333 138.905 > 7 22 La 0.00000000000000 0.63783018299685 0.00000000000000 138.905 > 10 23 La 0.00000000000000 0.63783018299685 0.33333333333333 138.905 > 10 24 La 0.00000000000000 0.63783018299685 0.66666666666667 138.905 > 10 25 C 0.75000000000000 0.75000000000000 0.16666666666667 12.011 > 25 26 C 0.75000000000000 0.75000000000000 0.50000000000000 12.011 > 25 27 C 0.75000000000000 0.75000000000000 0.83333333333333 12.011 > 25 28 C 0.75000000000000 0.25000000000000 0.16666666666667 12.011 > 28 29 C 0.75000000000000 0.25000000000000 0.50000000000000 12.011 > 28 30 C 0.75000000000000 0.25000000000000 0.83333333333333 12.011 > 28 31 C 0.25000000000000 0.25000000000000 0.16666666666667 12.011 > 25 32 C 0.25000000000000 0.25000000000000 0.50000000000000 12.011 > 25 33 C 0.25000000000000 0.25000000000000 0.83333333333333 12.011 > 25 34 C 0.25000000000000 0.75000000000000 0.16666666666667 12.011 > 28 35 C 0.25000000000000 0.75000000000000 0.50000000000000 12.011 > 28 36 C 0.25000000000000 0.75000000000000 0.83333333333333 12.011 > 28 37 N 0.34349411531672 0.00000000000000 0.00000000000000 14.007 > 37 38 N 0.34349411531672 0.00000000000000 0.33333333333333 14.007 > 37 39 N 0.34349411531672 0.00000000000000 0.66666666666667 14.007 > 37 40 N 0.65650588468328 0.00000000000000 0.00000000000000 14.007 > 40 41 N 0.65650588468328 0.00000000000000 0.33333333333333 14.007 > 40 42 N 0.65650588468328 0.00000000000000 0.66666666666667 14.007 > 40 43 N 0.32748575701013 0.17574719452724 0.16666666666667 14.007 > 43 44 N 0.32748575701013 0.17574719452724 0.50000000000000 14.007 > 43 45 N 0.32748575701013 0.17574719452724 0.83333333333333 14.007 > 43 46 N 0.67251424298987 0.82425280547276 0.16666666666667 14.007 > 46 47 N 0.67251424298987 0.82425280547276 0.50000000000000 14.007 > 46 48 N 0.67251424298987 0.82425280547276 0.83333333333333 14.007 > 46 49 N 0.67251424298987 0.17574719452724 0.16666666666667 14.007 > 49 50 N 0.67251424298987 0.17574719452724 0.50000000000000 14.007 > 49 51 N 0.67251424298987 0.17574719452724 0.83333333333333 14.007 > 49 52 N 0.32748575701013 0.82425280547276 0.16666666666667 14.007 > 52 53 N 0.32748575701013 0.82425280547276 0.50000000000000 14.007 > 52 54 N 0.32748575701013 0.82425280547276 0.83333333333333 14.007 > 52 55 N 0.84349411531672 0.50000000000000 0.00000000000000 14.007 > 37 56 N 0.84349411531672 0.50000000000000 0.33333333333333 14.007 > 37 57 N 0.84349411531672 0.50000000000000 0.66666666666667 14.007 > 37 58 N 0.15650588468328 0.50000000000000 0.00000000000000 14.007 > 40 59 N 0.15650588468328 0.50000000000000 0.33333333333333 14.007 > 40 60 N 0.15650588468328 0.50000000000000 0.66666666666667 14.007 > 40 61 N 0.82748575701013 0.67574719452724 0.16666666666667 14.007 > 43 62 N 0.82748575701013 0.67574719452724 0.50000000000000 14.007 > 43 63 N 0.82748575701013 0.67574719452724 0.83333333333333 14.007 > 43 64 N 0.17251424298987 0.32425280547276 0.16666666666667 14.007 > 46 65 N 0.17251424298987 0.32425280547276 0.50000000000000 14.007 > 46 66 N 0.17251424298987 0.32425280547276 0.83333333333333 14.007 > 46 67 N 0.17251424298987 0.67574719452724 0.16666666666667 14.007 > 49 68 N 0.17251424298987 0.67574719452724 0.50000000000000 14.007 > 49 69 N 0.17251424298987 0.67574719452724 0.83333333333333 14.007 > 49 70 N 0.82748575701013 0.32425280547276 0.16666666666667 14.007 > 52 71 N 0.82748575701013 0.32425280547276 0.50000000000000 14.007 > 52 72 N 0.82748575701013 0.32425280547276 0.83333333333333 14.007 > 52 73 Cl 0.50000000000000 0.37780855598201 0.00000000000000 35.453 > 73 74 Cl 0.50000000000000 0.37780855598201 0.33333333333333 35.453 > 73 75 Cl 0.50000000000000 0.37780855598201 0.66666666666667 35.453 > 73 76 Cl 0.50000000000000 0.62219144401799 0.00000000000000 35.453 > 76 77 Cl 0.50000000000000 0.62219144401799 0.33333333333333 35.453 > 76 78 Cl 0.50000000000000 0.62219144401799 0.66666666666667 35.453 > 76 79 Cl 0.00000000000000 0.87780855598201 0.00000000000000 35.453 > 73 80 Cl 0.00000000000000 0.87780855598201 0.33333333333333 35.453 > 73 81 Cl 0.00000000000000 0.87780855598201 0.66666666666667 35.453 > 73 82 Cl 0.00000000000000 0.12219144401799 0.00000000000000 35.453 > 76 83 Cl 0.00000000000000 0.12219144401799 0.33333333333333 35.453 > 76 84 Cl 0.00000000000000 0.12219144401799 0.66666666666667 35.453 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1765719 0.0000000 0.0000000 0.0000000 5.5551539 0.0000000 0.0000000 0.0000000 5.0269716 -------------------------- Born effective charges -------------------------- 1 La 3.1501222 0.0000000 0.0000000 0.0000000 3.5006973 0.0000000 0.0000000 0.0000000 5.4426813 2 La 4.5623625 0.0000000 0.0000000 0.0000000 4.3152232 0.0000000 0.0000000 0.0000000 3.1360329 3 La 3.1501222 0.0000000 0.0000000 0.0000000 3.5006973 0.0000000 0.0000000 0.0000000 5.4426813 4 La 4.5623625 0.0000000 0.0000000 0.0000000 4.3152232 0.0000000 0.0000000 0.0000000 3.1360329 5 C 2.2033092 -3.0640789 0.0000000 -3.1187956 4.2260902 0.0000000 0.0000000 0.0000000 -0.1852305 6 C 2.2033092 3.0640789 0.0000000 3.1187956 4.2260902 0.0000000 0.0000000 0.0000000 -0.1852305 7 N -3.5439059 0.0000000 0.0000000 0.0000000 -3.3773652 0.0000000 0.0000000 0.0000000 -4.3456776 8 N -3.5439059 0.0000000 0.0000000 0.0000000 -3.3773652 0.0000000 0.0000000 0.0000000 -4.3456776 9 N -2.4986559 1.6774885 0.0000000 1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 10 N -2.4986559 1.6774885 0.0000000 1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 11 N -2.4986559 -1.6774885 0.0000000 -1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 12 N -2.4986559 -1.6774885 0.0000000 -1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 13 Cl -1.3745762 0.0000000 0.0000000 0.0000000 -1.5010389 0.0000000 0.0000000 0.0000000 -1.4706794 14 Cl -1.3745762 0.0000000 0.0000000 0.0000000 -1.5010389 0.0000000 0.0000000 0.0000000 -1.4706794 ---------------------------------------------------------------------------- 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[ 4, 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[ 25, 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] Computing fc3[ 43, 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[ 73, 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: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 17:47:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:47:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.753259494999999 -6.658974805000000 0.000000000000000 b 4.753259494999999 6.658974805000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.908763040000000 Atomic positions (fractional): 1 La 0.79011457194150 0.79011457194150 0.50000000000000 138.905 2 La 0.63783018299685 0.36216981700315 0.00000000000000 138.905 3 La 0.20988542805850 0.20988542805850 0.50000000000000 138.905 4 La 0.36216981700315 0.63783018299685 0.00000000000000 138.905 5 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 6 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 7 N 0.34349411531672 0.34349411531672 0.00000000000000 14.007 8 N 0.65650588468328 0.65650588468328 0.00000000000000 14.007 9 N 0.15173856248289 0.50323295153738 0.50000000000000 14.007 10 N 0.84826143751711 0.49676704846262 0.50000000000000 14.007 11 N 0.49676704846262 0.84826143751711 0.50000000000000 14.007 12 N 0.50323295153738 0.15173856248289 0.50000000000000 14.007 13 Cl 0.12219144401799 0.87780855598201 0.00000000000000 35.453 14 Cl 0.87780855598201 0.12219144401799 0.00000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.506518989999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.317949609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.726289120000001 Atomic positions (fractional): 1 La 0.79011457194150 0.00000000000000 0.16666666666667 138.905 > 1 2 La 0.79011457194150 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.79011457194150 0.00000000000000 0.83333333333333 138.905 > 1 4 La 0.50000000000000 0.86216981700315 0.00000000000000 138.905 > 4 5 La 0.50000000000000 0.86216981700315 0.33333333333333 138.905 > 4 6 La 0.50000000000000 0.86216981700315 0.66666666666667 138.905 > 4 7 La 0.20988542805850 0.00000000000000 0.16666666666667 138.905 > 7 8 La 0.20988542805850 0.00000000000000 0.50000000000000 138.905 > 7 9 La 0.20988542805850 0.00000000000000 0.83333333333333 138.905 > 7 10 La 0.50000000000000 0.13783018299685 0.00000000000000 138.905 > 10 11 La 0.50000000000000 0.13783018299685 0.33333333333333 138.905 > 10 12 La 0.50000000000000 0.13783018299685 0.66666666666667 138.905 > 10 13 La 0.29011457194149 0.50000000000000 0.16666666666667 138.905 > 1 14 La 0.29011457194149 0.50000000000000 0.50000000000000 138.905 > 1 15 La 0.29011457194149 0.50000000000000 0.83333333333333 138.905 > 1 16 La 0.00000000000000 0.36216981700315 0.00000000000000 138.905 > 4 17 La 0.00000000000000 0.36216981700315 0.33333333333333 138.905 > 4 18 La 0.00000000000000 0.36216981700315 0.66666666666667 138.905 > 4 19 La 0.70988542805850 0.50000000000000 0.16666666666667 138.905 > 7 20 La 0.70988542805850 0.50000000000000 0.50000000000000 138.905 > 7 21 La 0.70988542805850 0.50000000000000 0.83333333333333 138.905 > 7 22 La 0.00000000000000 0.63783018299685 0.00000000000000 138.905 > 10 23 La 0.00000000000000 0.63783018299685 0.33333333333333 138.905 > 10 24 La 0.00000000000000 0.63783018299685 0.66666666666667 138.905 > 10 25 C 0.75000000000000 0.75000000000000 0.16666666666667 12.011 > 25 26 C 0.75000000000000 0.75000000000000 0.50000000000000 12.011 > 25 27 C 0.75000000000000 0.75000000000000 0.83333333333333 12.011 > 25 28 C 0.75000000000000 0.25000000000000 0.16666666666667 12.011 > 28 29 C 0.75000000000000 0.25000000000000 0.50000000000000 12.011 > 28 30 C 0.75000000000000 0.25000000000000 0.83333333333333 12.011 > 28 31 C 0.25000000000000 0.25000000000000 0.16666666666667 12.011 > 25 32 C 0.25000000000000 0.25000000000000 0.50000000000000 12.011 > 25 33 C 0.25000000000000 0.25000000000000 0.83333333333333 12.011 > 25 34 C 0.25000000000000 0.75000000000000 0.16666666666667 12.011 > 28 35 C 0.25000000000000 0.75000000000000 0.50000000000000 12.011 > 28 36 C 0.25000000000000 0.75000000000000 0.83333333333333 12.011 > 28 37 N 0.34349411531672 0.00000000000000 0.00000000000000 14.007 > 37 38 N 0.34349411531672 0.00000000000000 0.33333333333333 14.007 > 37 39 N 0.34349411531672 0.00000000000000 0.66666666666667 14.007 > 37 40 N 0.65650588468328 0.00000000000000 0.00000000000000 14.007 > 40 41 N 0.65650588468328 0.00000000000000 0.33333333333333 14.007 > 40 42 N 0.65650588468328 0.00000000000000 0.66666666666667 14.007 > 40 43 N 0.32748575701013 0.17574719452724 0.16666666666667 14.007 > 43 44 N 0.32748575701013 0.17574719452724 0.50000000000000 14.007 > 43 45 N 0.32748575701013 0.17574719452724 0.83333333333333 14.007 > 43 46 N 0.67251424298987 0.82425280547276 0.16666666666667 14.007 > 46 47 N 0.67251424298987 0.82425280547276 0.50000000000000 14.007 > 46 48 N 0.67251424298987 0.82425280547276 0.83333333333333 14.007 > 46 49 N 0.67251424298987 0.17574719452724 0.16666666666667 14.007 > 49 50 N 0.67251424298987 0.17574719452724 0.50000000000000 14.007 > 49 51 N 0.67251424298987 0.17574719452724 0.83333333333333 14.007 > 49 52 N 0.32748575701013 0.82425280547276 0.16666666666667 14.007 > 52 53 N 0.32748575701013 0.82425280547276 0.50000000000000 14.007 > 52 54 N 0.32748575701013 0.82425280547276 0.83333333333333 14.007 > 52 55 N 0.84349411531672 0.50000000000000 0.00000000000000 14.007 > 37 56 N 0.84349411531672 0.50000000000000 0.33333333333333 14.007 > 37 57 N 0.84349411531672 0.50000000000000 0.66666666666667 14.007 > 37 58 N 0.15650588468328 0.50000000000000 0.00000000000000 14.007 > 40 59 N 0.15650588468328 0.50000000000000 0.33333333333333 14.007 > 40 60 N 0.15650588468328 0.50000000000000 0.66666666666667 14.007 > 40 61 N 0.82748575701013 0.67574719452724 0.16666666666667 14.007 > 43 62 N 0.82748575701013 0.67574719452724 0.50000000000000 14.007 > 43 63 N 0.82748575701013 0.67574719452724 0.83333333333333 14.007 > 43 64 N 0.17251424298987 0.32425280547276 0.16666666666667 14.007 > 46 65 N 0.17251424298987 0.32425280547276 0.50000000000000 14.007 > 46 66 N 0.17251424298987 0.32425280547276 0.83333333333333 14.007 > 46 67 N 0.17251424298987 0.67574719452724 0.16666666666667 14.007 > 49 68 N 0.17251424298987 0.67574719452724 0.50000000000000 14.007 > 49 69 N 0.17251424298987 0.67574719452724 0.83333333333333 14.007 > 49 70 N 0.82748575701013 0.32425280547276 0.16666666666667 14.007 > 52 71 N 0.82748575701013 0.32425280547276 0.50000000000000 14.007 > 52 72 N 0.82748575701013 0.32425280547276 0.83333333333333 14.007 > 52 73 Cl 0.50000000000000 0.37780855598201 0.00000000000000 35.453 > 73 74 Cl 0.50000000000000 0.37780855598201 0.33333333333333 35.453 > 73 75 Cl 0.50000000000000 0.37780855598201 0.66666666666667 35.453 > 73 76 Cl 0.50000000000000 0.62219144401799 0.00000000000000 35.453 > 76 77 Cl 0.50000000000000 0.62219144401799 0.33333333333333 35.453 > 76 78 Cl 0.50000000000000 0.62219144401799 0.66666666666667 35.453 > 76 79 Cl 0.00000000000000 0.87780855598201 0.00000000000000 35.453 > 73 80 Cl 0.00000000000000 0.87780855598201 0.33333333333333 35.453 > 73 81 Cl 0.00000000000000 0.87780855598201 0.66666666666667 35.453 > 73 82 Cl 0.00000000000000 0.12219144401799 0.00000000000000 35.453 > 76 83 Cl 0.00000000000000 0.12219144401799 0.33333333333333 35.453 > 76 84 Cl 0.00000000000000 0.12219144401799 0.66666666666667 35.453 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1765719 0.0000000 0.0000000 0.0000000 5.5551539 0.0000000 0.0000000 0.0000000 5.0269716 -------------------------- Born effective charges -------------------------- 1 La 3.1501222 0.0000000 0.0000000 0.0000000 3.5006973 0.0000000 0.0000000 0.0000000 5.4426813 2 La 4.5623625 0.0000000 0.0000000 0.0000000 4.3152232 0.0000000 0.0000000 0.0000000 3.1360329 3 La 3.1501222 0.0000000 0.0000000 0.0000000 3.5006973 0.0000000 0.0000000 0.0000000 5.4426813 4 La 4.5623625 0.0000000 0.0000000 0.0000000 4.3152232 0.0000000 0.0000000 0.0000000 3.1360329 5 C 2.2033092 -3.0640789 0.0000000 -3.1187956 4.2260902 0.0000000 0.0000000 0.0000000 -0.1852305 6 C 2.2033092 3.0640789 0.0000000 3.1187956 4.2260902 0.0000000 0.0000000 0.0000000 -0.1852305 7 N -3.5439059 0.0000000 0.0000000 0.0000000 -3.3773652 0.0000000 0.0000000 0.0000000 -4.3456776 8 N -3.5439059 0.0000000 0.0000000 0.0000000 -3.3773652 0.0000000 0.0000000 0.0000000 -4.3456776 9 N -2.4986559 1.6774885 0.0000000 1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 10 N -2.4986559 1.6774885 0.0000000 1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 11 N -2.4986559 -1.6774885 0.0000000 -1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 12 N -2.4986559 -1.6774885 0.0000000 -1.5774871 -3.5818033 0.0000000 0.0000000 0.0000000 -1.2885633 13 Cl -1.3745762 0.0000000 0.0000000 0.0000000 -1.5010389 0.0000000 0.0000000 0.0000000 -1.4706794 14 Cl -1.3745762 0.0000000 0.0000000 0.0000000 -1.5010389 0.0000000 0.0000000 0.0000000 -1.4706794 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 13 ] 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: 0.66, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 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 1.951 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.482 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 10.518 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 13.623 ( 0.000 0.000 0.000) 0.000 14.327 ( 0.000 0.000 0.000) 0.000 16.491 ( 0.000 0.000 0.000) 0.000 18.369 ( 0.000 0.000 0.000) 0.000 18.386 ( 0.000 0.000 0.000) 0.000 18.587 ( 0.000 0.000 0.000) 0.000 18.692 ( 0.000 0.000 0.000) 0.000 39.051 ( 0.000 0.000 0.000) 0.000 39.128 ( 0.000 0.000 0.000) 0.000 62.070 ( 0.000 0.000 0.000) 0.000 62.953 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 14.101 -9.319 0.000) 16.902 0.471 ( 20.412 -9.578 0.000) 22.548 1.160 ( 37.086 -35.577 0.000) 51.392 1.925 ( 0.910 4.419 0.000) 4.512 2.057 ( -1.552 0.082 0.000) 1.554 2.086 ( -0.490 -0.197 0.000) 0.529 2.374 ( 0.718 0.994 0.000) 1.226 2.811 ( -1.357 1.998 0.000) 2.415 3.223 ( -0.040 -1.364 0.000) 1.365 3.385 ( -12.575 7.970 0.000) 14.888 3.446 ( -0.917 1.301 0.000) 1.592 3.714 ( -12.723 -10.812 0.000) 16.696 4.119 ( 14.607 17.619 0.000) 22.887 4.489 ( -14.359 -0.663 0.000) 14.374 5.007 ( 7.780 16.215 0.000) 17.985 5.385 ( 2.173 -11.995 0.000) 12.190 5.722 ( 0.308 -0.186 0.000) 0.360 6.028 ( -4.033 3.287 0.000) 5.202 6.489 ( 19.079 24.248 0.000) 30.854 7.100 ( -10.148 -0.350 0.000) 10.154 7.254 ( 2.314 1.318 0.000) 2.663 7.383 ( -3.111 6.528 0.000) 7.232 7.473 ( -0.542 -0.560 0.000) 0.779 7.631 ( 15.851 -5.341 0.000) 16.726 8.050 ( 3.773 -7.279 0.000) 8.199 8.148 ( -30.341 -43.961 0.000) 53.415 8.444 ( 0.755 0.566 0.000) 0.944 8.805 ( -4.629 1.558 0.000) 4.884 10.500 ( -0.898 1.368 0.000) 1.636 10.927 ( 0.136 -0.506 0.000) 0.524 12.088 ( 2.814 0.078 0.000) 2.815 14.126 ( 22.195 23.718 0.000) 32.484 16.161 ( -12.233 -10.766 0.000) 16.295 16.457 ( -2.603 1.548 0.000) 3.029 18.369 ( 0.084 0.037 0.000) 0.092 18.384 ( -0.150 0.058 0.000) 0.161 18.668 ( 3.065 2.456 0.000) 3.927 18.849 ( 0.084 0.283 0.000) 0.296 39.064 ( 0.681 -0.522 0.000) 0.858 39.142 ( 1.292 -0.766 0.000) 1.502 62.433 ( 23.574 28.830 0.000) 37.242 64.097 ( -44.318 -56.292 0.000) 71.644 ======================= Grid point 2 (3/91) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 8.929 -5.928 0.000) 10.718 0.950 ( 19.048 -10.833 0.000) 21.913 1.729 ( -3.342 4.754 0.000) 5.811 2.022 ( -1.800 0.314 0.000) 1.827 2.080 ( -0.496 -0.282 0.000) 0.570 2.267 ( 30.078 -24.119 0.000) 38.554 2.371 ( 0.574 1.198 0.000) 1.329 2.761 ( -1.185 1.651 0.000) 2.032 3.005 ( -17.710 2.007 0.000) 17.823 3.237 ( -0.194 -1.113 0.000) 1.129 3.435 ( -0.065 -0.531 0.000) 0.535 3.723 ( 0.561 -4.242 0.000) 4.279 4.057 ( -3.908 6.876 0.000) 7.909 4.142 ( -12.690 13.829 0.000) 18.769 4.953 ( 2.721 8.868 0.000) 9.276 5.545 ( 2.672 -6.707 0.000) 7.220 5.738 ( 2.274 0.815 0.000) 2.415 5.912 ( -4.739 2.431 0.000) 5.326 6.541 ( 10.449 9.293 0.000) 13.983 6.952 ( -6.597 0.540 0.000) 6.619 7.258 ( -2.326 4.368 0.000) 4.949 7.282 ( 1.253 -0.337 0.000) 1.297 7.472 ( -0.205 -0.173 0.000) 0.268 7.971 ( 12.051 -6.265 0.000) 13.582 8.187 ( -7.566 -17.484 0.000) 19.051 8.195 ( 2.321 -5.641 0.000) 6.100 8.454 ( 1.136 0.642 0.000) 1.305 8.652 ( -8.850 3.879 0.000) 9.663 10.464 ( -0.923 1.383 0.000) 1.663 10.936 ( 0.117 -0.464 0.000) 0.479 12.141 ( 2.775 0.137 0.000) 2.778 14.231 ( 11.847 8.701 0.000) 14.699 16.081 ( -8.294 -6.449 0.000) 10.507 16.375 ( -2.786 2.875 0.000) 4.003 18.371 ( 0.170 0.030 0.000) 0.172 18.380 ( -0.236 0.066 0.000) 0.245 18.693 ( 1.391 0.161 0.000) 1.401 18.847 ( -0.019 0.122 0.000) 0.123 39.075 ( 0.396 0.286 0.000) 0.488 39.187 ( 1.551 -1.564 0.000) 2.203 62.493 ( 11.620 11.815 0.000) 16.572 64.015 ( -18.868 -20.381 0.000) 27.774 ======================= Grid point 3 (4/91) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 -0.000 0.000) 0.000 1.301 ( 0.000 -0.000 0.000) 0.000 1.545 ( 0.000 -0.000 0.000) 0.000 2.001 ( -0.000 0.000 0.000) 0.000 2.077 ( 0.000 -0.000 0.000) 0.000 2.368 ( 0.000 -0.000 0.000) 0.000 2.739 ( 0.000 -0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.822 ( -0.000 -0.000 0.000) 0.000 3.242 ( 0.000 -0.000 0.000) 0.000 3.466 ( -0.000 0.000 0.000) 0.000 3.723 ( 0.000 -0.000 0.000) 0.000 3.872 ( -0.000 0.000 0.000) 0.000 3.950 ( 0.000 -0.000 0.000) 0.000 4.912 ( 0.000 -0.000 0.000) 0.000 5.618 ( 0.000 -0.000 0.000) 0.000 5.795 ( 0.000 -0.000 0.000) 0.000 5.808 ( -0.000 -0.000 0.000) 0.000 6.587 ( -0.000 -0.000 0.000) 0.000 6.880 ( 0.000 -0.000 0.000) 0.000 7.209 ( 0.000 -0.000 0.000) 0.000 7.297 ( -0.000 -0.000 0.000) 0.000 7.471 ( 0.000 -0.000 0.000) 0.000 8.097 ( 0.000 -0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 -0.000 0.000) 0.000 8.429 ( -0.000 -0.000 0.000) 0.000 8.462 ( 0.000 -0.000 0.000) 0.000 10.445 ( 0.000 -0.000 0.000) 0.000 10.940 ( 0.000 -0.000 0.000) 0.000 12.167 ( 0.000 -0.000 0.000) 0.000 14.287 ( 0.000 -0.000 0.000) 0.000 16.048 ( 0.000 -0.000 0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 18.374 ( 0.000 -0.000 0.000) 0.000 18.375 ( -0.000 -0.000 0.000) 0.000 18.706 ( 0.000 -0.000 0.000) 0.000 18.846 ( 0.000 -0.000 0.000) 0.000 39.076 ( 0.000 -0.000 0.000) 0.000 39.214 ( 0.000 -0.000 0.000) 0.000 62.524 ( 0.000 -0.000 0.000) 0.000 63.973 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 8 (5/91) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 14.451 0.000 0.000) 14.451 0.912 ( 22.907 0.000 0.000) 22.907 1.645 ( 37.870 0.000 0.000) 37.870 1.978 ( 3.106 0.000 0.000) 3.106 2.028 ( -1.541 -0.000 0.000) 1.541 2.068 ( -1.204 -0.000 0.000) 1.204 2.393 ( 0.589 0.000 0.000) 0.589 2.783 ( -2.859 -0.000 0.000) 2.859 3.064 ( -22.834 -0.000 0.000) 22.834 3.221 ( 0.783 0.000 0.000) 0.783 3.424 ( -1.253 -0.000 0.000) 1.253 3.633 ( 5.975 0.000 0.000) 5.975 4.140 ( -17.089 -0.000 0.000) 17.089 4.375 ( -2.769 -0.000 0.000) 2.769 5.075 ( -8.799 -0.000 0.000) 8.799 5.460 ( 11.994 0.000 0.000) 11.994 5.743 ( 1.984 0.000 0.000) 1.984 5.933 ( -7.645 -0.000 0.000) 7.645 6.797 ( -10.613 -0.000 0.000) 10.613 6.974 ( 7.655 0.000 0.000) 7.655 7.259 ( -11.053 -0.000 0.000) 11.053 7.321 ( -6.761 -0.000 0.000) 6.761 7.474 ( 0.477 0.000 0.000) 0.477 7.719 ( 12.782 0.000 0.000) 12.782 7.923 ( 19.012 0.000 0.000) 19.012 8.107 ( 6.474 0.000 0.000) 6.474 8.466 ( 1.322 0.000 0.000) 1.322 8.706 ( -7.577 -0.000 0.000) 7.577 10.481 ( -2.028 -0.000 0.000) 2.028 10.930 ( 0.553 0.000 0.000) 0.553 12.106 ( 0.275 0.000 0.000) 0.275 14.602 ( 17.645 0.000 0.000) 17.645 15.809 ( -18.496 -0.000 0.000) 18.496 16.456 ( 0.007 0.000 0.000) 0.007 18.372 ( 0.136 0.000 0.000) 0.136 18.380 ( -0.270 -0.000 0.000) 0.270 18.659 ( -1.811 -0.000 0.000) 1.811 18.894 ( 2.180 0.000 0.000) 2.180 39.069 ( 0.933 0.000 0.000) 0.933 39.156 ( 0.768 0.000 0.000) 0.768 62.667 ( -15.607 -0.000 0.000) 15.607 63.636 ( 19.814 0.000 0.000) 19.814 ======================= Grid point 9 (6/91) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 8.025 0.159 0.000) 8.026 1.255 ( 15.755 -2.129 0.000) 15.898 1.802 ( -1.400 18.524 0.000) 18.577 2.008 ( -0.243 0.503 0.000) 0.559 2.052 ( -1.316 -1.304 0.000) 1.853 2.368 ( 9.608 -23.734 0.000) 25.605 2.390 ( -0.164 1.054 0.000) 1.067 2.732 ( -2.731 -0.395 0.000) 2.760 2.911 ( 11.662 1.502 0.000) 11.758 3.243 ( 1.484 0.024 0.000) 1.485 3.404 ( -1.627 -1.311 0.000) 2.090 3.733 ( -2.657 -1.111 0.000) 2.880 3.859 ( -7.056 0.358 0.000) 7.065 4.210 ( -7.035 10.506 0.000) 12.644 4.875 ( -13.098 -1.433 0.000) 13.176 5.608 ( 3.172 -1.455 0.000) 3.490 5.790 ( 3.005 -0.241 0.000) 3.015 5.819 ( -3.992 1.110 0.000) 4.143 6.608 ( -9.274 0.974 0.000) 9.325 6.970 ( -0.591 7.071 0.000) 7.095 7.198 ( -1.939 -7.631 0.000) 7.874 7.205 ( -5.596 -0.169 0.000) 5.599 7.480 ( 0.530 0.429 0.000) 0.682 8.005 ( 11.466 -4.594 0.000) 12.352 8.225 ( 5.095 -1.212 0.000) 5.237 8.259 ( 16.263 -3.004 0.000) 16.538 8.485 ( 1.286 1.033 0.000) 1.650 8.547 ( -7.532 3.271 0.000) 8.211 10.441 ( -2.248 -0.181 0.000) 2.255 10.943 ( 0.773 0.102 0.000) 0.780 12.097 ( -3.718 -3.099 0.000) 4.840 14.735 ( 14.531 29.382 0.000) 32.779 15.642 ( -13.765 -25.307 0.000) 28.808 16.447 ( 1.962 3.764 0.000) 4.245 18.374 ( 0.148 -0.004 0.000) 0.148 18.375 ( -0.284 0.004 0.000) 0.284 18.638 ( -2.630 -2.519 0.000) 3.641 18.919 ( 2.851 2.804 0.000) 3.999 39.083 ( 0.474 0.443 0.000) 0.649 39.172 ( -0.520 -2.201 0.000) 2.261 62.391 ( -18.940 -6.462 0.000) 20.012 64.036 ( 24.688 2.948 0.000) 24.863 ======================= Grid point 10 (7/91) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.002 5.799 0.000) 5.799 1.440 ( -6.725 23.220 0.000) 24.174 1.517 ( 6.615 -8.091 0.000) 10.451 2.016 ( 1.464 -0.194 0.000) 1.477 2.057 ( -0.572 -1.920 0.000) 2.003 2.367 ( -0.776 0.976 0.000) 1.247 2.635 ( -1.515 -3.326 0.000) 3.655 2.710 ( -1.444 -2.156 0.000) 2.595 3.094 ( 7.368 10.340 0.000) 12.697 3.266 ( 1.648 0.965 0.000) 1.910 3.431 ( -1.485 -2.109 0.000) 2.580 3.633 ( 1.012 -10.331 0.000) 10.381 3.937 ( -0.559 2.455 0.000) 2.517 3.989 ( 5.138 1.948 0.000) 5.495 4.713 ( -11.975 -8.760 0.000) 14.837 5.643 ( -4.286 -7.118 0.000) 8.309 5.746 ( 1.682 7.815 0.000) 7.994 5.848 ( 2.381 -1.273 0.000) 2.700 6.424 ( -12.133 -1.489 0.000) 12.224 6.923 ( -0.743 -2.174 0.000) 2.298 7.150 ( -3.111 -3.551 0.000) 4.721 7.267 ( 3.076 -1.019 0.000) 3.241 7.483 ( 0.558 0.551 0.000) 0.784 8.108 ( -4.505 3.777 0.000) 5.879 8.299 ( 3.359 1.507 0.000) 3.682 8.459 ( 8.378 5.634 0.000) 10.096 8.472 ( -0.431 2.530 0.000) 2.566 8.549 ( 11.424 -3.612 0.000) 11.981 10.420 ( -1.301 -1.758 0.000) 2.187 10.951 ( 0.636 0.609 0.000) 0.881 12.055 ( -6.459 -4.790 0.000) 8.041 14.440 ( -7.359 20.679 0.000) 21.949 15.893 ( 7.394 -15.909 0.000) 17.543 16.446 ( 3.891 4.163 0.000) 5.698 18.370 ( -0.237 -0.029 0.000) 0.239 18.378 ( 0.168 -0.067 0.000) 0.180 18.622 ( -3.631 -3.371 0.000) 4.955 18.926 ( 2.851 3.996 0.000) 4.909 39.073 ( -0.533 0.593 0.000) 0.797 39.181 ( -1.874 -2.077 0.000) 2.797 62.161 ( -20.839 -12.612 0.000) 24.359 64.421 ( 29.673 11.377 0.000) 31.779 ======================= Grid point 11 (8/91) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -4.460 12.521 0.000) 13.291 1.055 ( -0.113 27.130 0.000) 27.130 1.695 ( 1.579 -9.229 0.000) 9.363 2.053 ( 1.789 -0.372 0.000) 1.827 2.074 ( -0.101 -1.558 0.000) 1.562 2.155 ( -20.791 34.910 0.000) 40.632 2.348 ( -0.764 -0.326 0.000) 0.830 2.733 ( -0.193 -3.641 0.000) 3.646 3.271 ( 0.963 2.023 0.000) 2.240 3.274 ( 14.508 -2.384 0.000) 14.703 3.416 ( -0.953 -1.362 0.000) 1.663 3.748 ( -4.899 -6.274 0.000) 7.960 3.931 ( 5.412 -0.483 0.000) 5.434 4.262 ( 9.689 -14.307 0.000) 17.279 4.645 ( -11.298 -11.112 0.000) 15.847 5.629 ( -0.285 4.825 0.000) 4.833 5.709 ( 0.277 -0.840 0.000) 0.885 5.906 ( 0.864 -3.882 0.000) 3.977 6.239 ( -11.233 -2.861 0.000) 11.592 6.977 ( -0.263 -6.923 0.000) 6.928 7.187 ( -0.725 -7.464 0.000) 7.499 7.331 ( 6.011 3.361 0.000) 6.887 7.486 ( 0.472 0.476 0.000) 0.670 7.851 ( -10.781 10.288 0.000) 14.902 8.284 ( 1.372 8.742 0.000) 8.849 8.428 ( -1.421 0.064 0.000) 1.422 8.628 ( 16.129 5.442 0.000) 17.023 8.743 ( 5.996 -2.844 0.000) 6.637 10.440 ( -0.179 -3.113 0.000) 3.118 10.949 ( 0.276 1.057 0.000) 1.092 12.003 ( -6.125 -5.094 0.000) 7.966 14.057 ( -12.932 10.501 0.000) 16.659 16.188 ( 10.315 -4.532 0.000) 11.266 16.478 ( 3.931 2.181 0.000) 4.495 18.368 ( -0.118 -0.074 0.000) 0.139 18.381 ( 0.116 -0.116 0.000) 0.164 18.592 ( -4.127 -2.897 0.000) 5.042 18.919 ( 2.126 4.148 0.000) 4.662 39.058 ( -0.892 -0.228 0.000) 0.921 39.156 ( -2.286 -0.283 0.000) 2.303 61.987 ( -17.371 -13.813 0.000) 22.193 64.797 ( 30.159 12.656 0.000) 32.707 ======================= Grid point 12 (9/91) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 17.014 0.000) 17.014 0.741 ( 0.000 28.585 0.000) 28.585 1.341 ( 0.000 50.655 0.000) 50.655 1.830 ( -0.000 -8.946 0.000) 8.946 2.072 ( 0.000 0.021 0.000) 0.021 2.088 ( -0.000 -0.568 0.000) 0.568 2.351 ( -0.000 -1.267 0.000) 1.267 2.783 ( -0.000 -3.835 0.000) 3.835 3.250 ( 0.000 2.402 0.000) 2.402 3.425 ( -0.000 -1.680 0.000) 1.680 3.533 ( -0.000 -7.312 0.000) 7.312 3.635 ( -0.000 -0.292 0.000) 0.292 4.030 ( 0.000 4.304 0.000) 4.304 4.611 ( -0.000 -24.692 0.000) 24.692 4.612 ( -0.000 -5.347 0.000) 5.347 5.514 ( 0.000 11.459 0.000) 11.459 5.733 ( -0.000 -0.264 0.000) 0.264 5.987 ( -0.000 -7.110 0.000) 7.110 6.146 ( -0.000 -1.878 0.000) 1.878 7.069 ( -0.000 -7.619 0.000) 7.619 7.294 ( -0.000 -9.567 0.000) 9.567 7.376 ( 0.000 2.735 0.000) 2.735 7.486 ( 0.000 0.309 0.000) 0.309 7.564 ( 0.000 13.697 0.000) 13.697 8.151 ( 0.000 11.900 0.000) 11.900 8.427 ( -0.000 -1.032 0.000) 1.032 8.801 ( -0.000 -1.730 0.000) 1.730 8.836 ( -0.000 -1.368 0.000) 1.368 10.479 ( -0.000 -2.902 0.000) 2.902 10.937 ( 0.000 1.052 0.000) 1.052 11.995 ( -0.000 -4.367 0.000) 4.367 13.773 ( 0.000 10.482 0.000) 10.482 16.332 ( -0.000 -2.106 0.000) 2.106 16.504 ( 0.000 0.824 0.000) 0.824 18.368 ( -0.000 -0.077 0.000) 0.077 18.384 ( -0.000 -0.113 0.000) 0.113 18.569 ( -0.000 -1.357 0.000) 1.357 18.893 ( 0.000 3.334 0.000) 3.334 39.049 ( -0.000 -0.115 0.000) 0.115 39.132 ( 0.000 0.197 0.000) 0.197 61.945 ( -0.000 -9.153 0.000) 9.153 65.061 ( 0.000 2.988 0.000) 2.988 ======================= Grid point 15 (10/91) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 4.133 0.000 0.000) 4.133 1.367 ( 1.951 0.000 0.000) 1.951 1.935 ( -8.106 -0.000 0.000) 8.106 2.010 ( -1.833 -0.000 0.000) 1.833 2.026 ( 1.536 0.000 0.000) 1.536 2.376 ( 19.788 0.000 0.000) 19.788 2.389 ( -0.803 -0.000 0.000) 0.803 2.677 ( -2.617 -0.000 0.000) 2.617 3.272 ( 21.432 0.000 0.000) 21.432 3.279 ( 2.207 0.000 0.000) 2.207 3.348 ( -4.040 -0.000 0.000) 4.040 3.524 ( -11.670 -0.000 0.000) 11.670 3.918 ( 4.892 0.000 0.000) 4.892 4.149 ( -6.761 -0.000 0.000) 6.761 4.585 ( -15.741 -0.000 0.000) 15.741 5.511 ( -7.043 -0.000 0.000) 7.043 5.836 ( 2.301 0.000 0.000) 2.301 5.862 ( 2.898 0.000 0.000) 2.898 6.412 ( -12.151 -0.000 0.000) 12.151 6.877 ( -7.860 -0.000 0.000) 7.860 7.103 ( -4.998 -0.000 0.000) 4.998 7.254 ( 8.476 0.000 0.000) 8.476 7.491 ( 0.419 0.000 0.000) 0.419 8.150 ( 1.919 0.000 0.000) 1.919 8.306 ( 4.298 0.000 0.000) 4.298 8.499 ( 12.448 0.000 0.000) 12.448 8.519 ( 1.397 0.000 0.000) 1.397 8.527 ( 5.293 0.000 0.000) 5.293 10.395 ( -2.441 -0.000 0.000) 2.441 10.960 ( 0.948 0.000 0.000) 0.948 11.986 ( -5.934 -0.000 0.000) 5.934 14.869 ( -30.925 -0.000 0.000) 30.925 15.556 ( 31.966 0.000 0.000) 31.966 16.500 ( 1.699 0.000 0.000) 1.699 18.370 ( -0.272 -0.000 0.000) 0.272 18.377 ( 0.135 0.000 0.000) 0.135 18.575 ( -2.788 -0.000 0.000) 2.788 18.983 ( 2.422 0.000 0.000) 2.422 39.106 ( 1.014 0.000 0.000) 1.014 39.122 ( -2.796 -0.000 0.000) 2.796 61.981 ( -20.393 -0.000 0.000) 20.393 64.568 ( 29.227 0.000 0.000) 29.227 ======================= Grid point 16 (11/91) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.376 5.973 0.000) 5.985 1.387 ( -2.600 -4.494 0.000) 5.191 1.731 ( 0.151 15.448 0.000) 15.449 1.999 ( -0.883 -2.457 0.000) 2.611 2.057 ( 1.547 -0.064 0.000) 1.549 2.366 ( -0.814 1.070 0.000) 1.345 2.654 ( -1.280 -2.095 0.000) 2.455 2.716 ( 9.058 5.229 0.000) 10.459 3.242 ( 0.713 1.016 0.000) 1.242 3.309 ( 1.517 0.824 0.000) 1.727 3.399 ( -1.085 0.779 0.000) 1.336 3.584 ( 5.133 -5.214 0.000) 7.316 3.896 ( -6.929 -1.771 0.000) 7.152 4.065 ( 0.551 0.059 0.000) 0.554 4.441 ( -4.324 -5.060 0.000) 6.656 5.466 ( -2.893 -7.615 0.000) 8.146 5.835 ( -0.820 3.727 0.000) 3.816 5.886 ( 1.915 1.000 0.000) 2.160 6.214 ( -9.466 -0.084 0.000) 9.467 6.811 ( -3.235 -4.780 0.000) 5.772 7.052 ( -2.544 -2.887 0.000) 3.848 7.393 ( 7.611 1.389 0.000) 7.736 7.495 ( 0.264 0.234 0.000) 0.352 8.053 ( -6.779 4.589 0.000) 8.186 8.366 ( 2.475 -0.084 0.000) 2.477 8.514 ( 0.229 3.861 0.000) 3.868 8.673 ( 7.326 -0.448 0.000) 7.339 8.693 ( 9.343 -0.444 0.000) 9.354 10.371 ( -1.300 -1.784 0.000) 2.208 10.971 ( 0.574 0.540 0.000) 0.788 11.905 ( -4.614 -2.163 0.000) 5.095 14.334 ( -19.728 7.712 0.000) 21.182 16.073 ( 19.965 -3.244 0.000) 20.226 16.519 ( 1.405 0.905 0.000) 1.671 18.366 ( -0.152 -0.037 0.000) 0.157 18.379 ( 0.083 -0.058 0.000) 0.101 18.537 ( -2.450 -1.277 0.000) 2.763 19.005 ( 1.556 2.066 0.000) 2.586 39.065 ( -1.835 0.616 0.000) 1.936 39.130 ( -0.377 -1.272 0.000) 1.327 61.715 ( -13.847 -6.479 0.000) 15.288 64.991 ( 20.734 3.805 0.000) 21.080 ======================= Grid point 17 (12/91) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 12.054 0.000) 12.054 1.345 ( 0.000 12.342 0.000) 12.342 1.619 ( 0.000 0.013 0.000) 0.013 2.034 ( -0.000 -3.579 0.000) 3.579 2.072 ( 0.000 0.011 0.000) 0.011 2.344 ( 0.000 0.887 0.000) 0.887 2.440 ( 0.000 34.581 0.000) 34.581 2.682 ( -0.000 -3.684 0.000) 3.684 3.306 ( 0.000 1.741 0.000) 1.741 3.356 ( -0.000 -4.647 0.000) 4.647 3.415 ( -0.000 -2.065 0.000) 2.065 3.623 ( -0.000 -0.591 0.000) 0.591 3.997 ( -0.000 -20.931 0.000) 20.931 4.068 ( -0.000 -0.121 0.000) 0.121 4.477 ( -0.000 -4.886 0.000) 4.886 5.577 ( -0.000 -11.212 0.000) 11.212 5.748 ( 0.000 7.234 0.000) 7.234 5.896 ( 0.000 0.201 0.000) 0.201 6.123 ( -0.000 -0.080 0.000) 0.080 6.866 ( -0.000 -7.846 0.000) 7.846 7.088 ( -0.000 -6.119 0.000) 6.119 7.448 ( 0.000 2.554 0.000) 2.554 7.494 ( 0.000 0.318 0.000) 0.318 7.881 ( 0.000 10.082 0.000) 10.082 8.399 ( -0.000 -1.025 0.000) 1.025 8.427 ( 0.000 8.881 0.000) 8.881 8.753 ( -0.000 -1.801 0.000) 1.801 8.800 ( -0.000 -1.216 0.000) 1.216 10.394 ( -0.000 -3.334 0.000) 3.334 10.966 ( 0.000 1.034 0.000) 1.034 11.892 ( -0.000 -3.201 0.000) 3.201 14.048 ( 0.000 9.594 0.000) 9.594 16.280 ( -0.000 -1.709 0.000) 1.709 16.525 ( 0.000 0.734 0.000) 0.734 18.366 ( -0.000 -0.077 0.000) 0.077 18.381 ( -0.000 -0.113 0.000) 0.113 18.529 ( -0.000 -1.524 0.000) 1.524 18.985 ( 0.000 3.327 0.000) 3.327 39.046 ( -0.000 -0.097 0.000) 0.097 39.132 ( -0.000 -0.249 0.000) 0.249 61.686 ( -0.000 -9.673 0.000) 9.673 65.149 ( 0.000 3.398 0.000) 3.398 ======================= Grid point 23 (13/91) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.000 -0.000 0.000) 0.000 1.328 ( -0.000 -0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.971 ( -0.000 -0.000 0.000) 0.000 2.072 ( -0.000 -0.000 0.000) 0.000 2.365 ( -0.000 -0.000 0.000) 0.000 2.628 ( -0.000 -0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.233 ( -0.000 -0.000 0.000) 0.000 3.328 ( -0.000 -0.000 0.000) 0.000 3.398 ( -0.000 -0.000 0.000) 0.000 3.613 ( -0.000 -0.000 0.000) 0.000 3.733 ( -0.000 -0.000 0.000) 0.000 4.069 ( -0.000 -0.000 0.000) 0.000 4.406 ( -0.000 -0.000 0.000) 0.000 5.389 ( -0.000 -0.000 0.000) 0.000 5.849 ( -0.000 -0.000 0.000) 0.000 5.907 ( -0.000 -0.000 0.000) 0.000 6.125 ( -0.000 -0.000 0.000) 0.000 6.749 ( -0.000 -0.000 0.000) 0.000 7.009 ( -0.000 -0.000 0.000) 0.000 7.483 ( -0.000 -0.000 0.000) 0.000 7.499 ( -0.000 -0.000 0.000) 0.000 8.014 ( -0.000 -0.000 0.000) 0.000 8.384 ( -0.000 -0.000 0.000) 0.000 8.546 ( -0.000 -0.000 0.000) 0.000 8.727 ( -0.000 -0.000 0.000) 0.000 8.784 ( -0.000 -0.000 0.000) 0.000 10.346 ( -0.000 -0.000 0.000) 0.000 10.980 ( -0.000 -0.000 0.000) 0.000 11.851 ( -0.000 -0.000 0.000) 0.000 14.179 ( -0.000 -0.000 0.000) 0.000 16.258 ( -0.000 -0.000 0.000) 0.000 16.535 ( -0.000 -0.000 0.000) 0.000 18.365 ( -0.000 -0.000 0.000) 0.000 18.379 ( -0.000 -0.000 0.000) 0.000 18.507 ( -0.000 -0.000 0.000) 0.000 19.031 ( -0.000 -0.000 0.000) 0.000 39.045 ( -0.000 -0.000 0.000) 0.000 39.126 ( -0.000 -0.000 0.000) 0.000 61.550 ( -0.000 -0.000 0.000) 0.000 65.198 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 39 (14/91) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.000 0.000 19.145) 19.145 0.380 ( 0.000 0.000 20.224) 20.224 0.996 ( 0.000 0.000 49.586) 49.586 2.014 ( 0.000 0.000 6.257) 6.257 2.186 ( 0.000 0.000 9.344) 9.344 2.282 ( 0.000 0.000 19.351) 19.351 2.951 ( 0.000 0.000 10.749) 10.749 2.961 ( 0.000 0.000 5.415) 5.415 3.441 ( 0.000 0.000 -0.715) 0.715 3.520 ( 0.000 0.000 0.165) 0.165 3.628 ( 0.000 0.000 -0.892) 0.892 3.629 ( 0.000 0.000 1.810) 1.810 4.050 ( 0.000 0.000 13.838) 13.838 4.469 ( 0.000 0.000 -3.621) 3.621 5.115 ( 0.000 0.000 1.212) 1.212 5.147 ( 0.000 0.000 -5.234) 5.234 5.714 ( 0.000 0.000 -0.437) 0.437 6.055 ( 0.000 0.000 -3.969) 3.969 6.186 ( 0.000 0.000 0.326) 0.326 7.156 ( 0.000 0.000 -7.793) 7.793 7.203 ( 0.000 0.000 -1.156) 1.156 7.286 ( 0.000 0.000 -0.530) 0.530 7.440 ( 0.000 0.000 -2.311) 2.311 7.464 ( 0.000 0.000 -3.965) 3.965 8.013 ( 0.000 0.000 5.247) 5.247 8.181 ( 0.000 0.000 1.061) 1.061 8.409 ( 0.000 0.000 -3.248) 3.248 8.832 ( 0.000 0.000 -2.203) 2.203 10.578 ( 0.000 0.000 5.348) 5.348 12.040 ( 0.000 0.000 -2.110) 2.110 13.645 ( 0.000 0.000 2.581) 2.581 14.371 ( 0.000 0.000 4.327) 4.327 15.222 ( 0.000 0.000 3.368) 3.368 16.418 ( 0.000 0.000 -7.070) 7.070 18.393 ( 0.000 0.000 0.759) 0.759 18.587 ( 0.000 0.000 0.054) 0.054 18.637 ( 0.000 0.000 0.155) 0.155 18.686 ( 0.000 0.000 -0.675) 0.675 39.050 ( 0.000 0.000 -0.026) 0.026 39.120 ( 0.000 0.000 -0.719) 0.719 62.043 ( 0.000 0.000 -2.610) 2.610 62.885 ( 0.000 0.000 -6.755) 6.755 ======================= Grid point 40 (15/91) ======================= q-point: ( 0.17 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 17.262 -7.071 11.190) 21.753 0.842 ( 12.304 -11.724 22.306) 28.043 1.277 ( 20.061 -23.832 19.931) 36.982 1.984 ( 0.149 4.462 5.977) 7.460 2.186 ( -0.510 -0.752 9.584) 9.627 2.295 ( 1.276 -0.323 21.133) 21.174 2.740 ( -7.654 9.505 21.361) 24.601 2.941 ( -0.769 -0.038 12.609) 12.632 3.179 ( -14.845 -0.161 -0.376) 14.851 3.433 ( -0.209 0.609 -0.262) 0.695 3.507 ( 1.006 4.472 4.563) 6.468 3.835 ( -12.435 -4.478 12.616) 18.271 4.043 ( 11.499 8.861 -4.216) 15.116 4.400 ( -11.870 -1.487 -5.730) 13.264 4.979 ( 6.304 15.867 -2.908) 17.320 5.362 ( 3.563 -11.606 -1.735) 12.264 5.715 ( 0.565 0.266 -0.567) 0.843 5.993 ( -3.780 3.103 -3.513) 6.022 6.383 ( 18.355 9.046 -5.372) 21.156 7.031 ( -9.801 -2.584 -3.100) 10.599 7.155 ( 1.332 4.880 -7.652) 9.173 7.409 ( 0.652 2.111 -1.104) 2.470 7.446 ( -2.825 -5.271 -3.742) 7.055 7.611 ( 16.823 -3.980 -1.623) 17.364 7.923 ( -13.017 -12.177 -1.181) 17.864 8.197 ( 3.551 2.450 1.260) 4.494 8.478 ( -1.192 -8.324 0.310) 8.415 8.753 ( -7.173 0.520 -2.804) 7.719 10.564 ( -0.602 1.314 5.745) 5.924 12.010 ( -4.215 7.660 7.641) 11.612 12.394 ( -39.925 14.073 73.264) 84.614 14.172 ( 20.414 24.616 4.957) 32.362 15.836 ( 3.064 -16.461 -24.091) 29.338 16.354 ( -5.943 -0.917 -8.254) 10.213 18.393 ( -0.021 0.044 0.875) 0.876 18.445 ( -3.350 1.445 5.155) 6.315 18.660 ( 2.905 2.374 -0.737) 3.823 18.789 ( 0.932 -2.853 -4.229) 5.186 39.060 ( 0.726 -0.497 -0.328) 0.939 39.124 ( 1.041 -0.048 -1.305) 1.670 62.339 ( 24.520 21.242 -8.405) 33.513 63.436 ( -8.550 -56.439 -39.041) 69.157 ======================= Grid point 41 (16/91) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 16.230 -10.355 6.637) 20.364 1.053 ( 5.505 -3.705 27.810) 28.591 1.754 ( -1.624 -1.801 3.589) 4.332 2.017 ( 7.769 -4.356 -1.322) 9.004 2.187 ( -0.545 -0.779 10.278) 10.321 2.378 ( 6.263 -4.978 14.826) 16.846 2.625 ( 2.681 3.190 19.875) 20.307 2.914 ( -13.374 0.222 -1.760) 13.491 2.994 ( 4.370 -5.684 19.008) 20.315 3.430 ( 0.370 -0.277 -0.050) 0.465 3.458 ( -1.021 2.322 14.079) 14.306 3.757 ( -2.893 -4.954 5.267) 7.788 4.029 ( 0.759 8.890 -3.114) 9.450 4.100 ( -15.165 8.488 -2.807) 17.604 4.906 ( 1.873 8.649 -4.124) 9.763 5.529 ( 2.971 -6.014 -1.425) 6.858 5.730 ( 2.272 1.037 -0.760) 2.611 5.882 ( -4.521 2.205 -2.957) 5.835 6.525 ( 11.460 8.228 -1.388) 14.176 6.919 ( -6.097 -0.991 -2.774) 6.772 7.094 ( -1.351 2.877 -8.706) 9.268 7.401 ( 1.464 1.425 2.645) 3.342 7.453 ( -0.975 -0.943 -1.653) 2.139 7.902 ( -7.033 -11.684 -10.873) 17.442 7.978 ( 15.451 -6.435 -4.490) 17.329 8.234 ( 2.961 1.306 -0.244) 3.246 8.538 ( -3.127 -4.693 5.260) 7.711 8.593 ( -7.914 1.680 -4.502) 9.259 10.533 ( -0.742 1.375 6.282) 6.473 11.677 ( -8.749 6.769 52.042) 53.205 12.194 ( 0.582 -1.034 13.163) 13.216 14.257 ( 11.422 8.905 2.693) 14.731 15.914 ( -4.206 -5.113 -15.569) 16.918 16.268 ( -4.298 -0.203 -9.757) 10.664 18.392 ( 0.045 0.022 1.247) 1.248 18.406 ( -0.808 0.341 3.095) 3.217 18.683 ( 1.382 0.322 -0.972) 1.720 18.813 ( -0.023 -0.728 -3.028) 3.115 39.071 ( 0.367 0.203 -0.287) 0.508 39.160 ( 1.566 -1.224 -2.337) 3.068 62.441 ( 11.833 11.310 -5.132) 17.155 63.711 ( -11.122 -22.801 -26.818) 36.916 ======================= Grid point 42 (17/91) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 -0.000 26.184) 26.184 1.294 ( 0.000 0.000 1.783) 1.783 1.630 ( 0.000 -0.000 8.406) 8.406 2.097 ( -0.000 -0.000 3.790) 3.790 2.185 ( 0.000 -0.000 10.476) 10.476 2.483 ( 0.000 0.000 6.016) 6.016 2.667 ( 0.000 -0.000 14.012) 14.012 2.763 ( 0.000 -0.000 -2.605) 2.605 3.195 ( 0.000 0.000 23.802) 23.802 3.429 ( 0.000 0.000 14.320) 14.320 3.468 ( -0.000 -0.000 0.715) 0.715 3.730 ( 0.000 -0.000 1.777) 1.777 3.870 ( -0.000 0.000 -0.006) 0.006 3.931 ( 0.000 -0.000 -1.643) 1.643 4.858 ( 0.000 -0.000 -4.612) 4.612 5.600 ( 0.000 -0.000 -1.778) 1.778 5.780 ( 0.000 -0.000 -1.506) 1.506 5.787 ( -0.000 -0.000 -2.054) 2.054 6.582 ( -0.000 -0.000 -0.488) 0.488 6.861 ( 0.000 -0.000 -1.941) 1.941 7.062 ( 0.000 -0.000 -8.967) 8.967 7.413 ( -0.000 -0.000 5.673) 5.673 7.443 ( 0.000 0.000 -3.094) 3.094 7.915 ( 0.000 -0.000 -14.847) 14.847 8.227 ( 0.000 -0.000 -2.347) 2.347 8.300 ( 0.000 -0.000 -4.616) 4.616 8.363 ( 0.000 -0.000 -1.244) 1.244 8.578 ( 0.000 -0.000 5.101) 5.101 10.516 ( 0.000 -0.000 6.460) 6.460 11.568 ( 0.000 -0.000 48.788) 48.788 12.213 ( 0.000 -0.000 9.643) 9.643 14.307 ( 0.000 -0.000 2.172) 2.172 15.902 ( 0.000 -0.000 -13.676) 13.676 16.227 ( 0.000 -0.000 -9.521) 9.521 18.394 ( 0.000 -0.000 1.834) 1.834 18.396 ( 0.000 -0.000 2.036) 2.036 18.694 ( 0.000 -0.000 -1.082) 1.082 18.816 ( 0.000 -0.000 -2.717) 2.717 39.073 ( 0.000 -0.000 -0.275) 0.275 39.185 ( 0.000 -0.000 -2.598) 2.598 62.475 ( 0.000 -0.000 -4.837) 4.837 63.743 ( 0.000 -0.000 -21.666) 21.666 ======================= Grid point 47 (18/91) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 9.470 0.000 25.936) 27.611 0.971 ( 21.063 0.000 6.142) 21.940 1.558 ( 24.764 0.000 0.945) 24.782 2.019 ( 1.363 0.000 4.462) 4.666 2.167 ( -1.033 -0.000 9.537) 9.593 2.319 ( 1.552 0.000 21.605) 21.661 2.692 ( -0.539 -0.000 23.122) 23.129 2.907 ( -2.012 -0.000 11.450) 11.626 2.944 ( -13.614 -0.000 -1.231) 13.670 3.426 ( -0.865 -0.000 0.276) 0.908 3.534 ( -8.531 -0.000 21.918) 23.520 3.628 ( 5.693 0.000 -0.487) 5.714 4.127 ( -15.957 -0.000 -1.280) 16.008 4.251 ( 1.089 0.000 -9.527) 9.589 5.037 ( -8.019 -0.000 -3.754) 8.854 5.450 ( 11.121 0.000 -0.896) 11.157 5.737 ( 1.840 0.000 -0.569) 1.925 5.904 ( -7.337 -0.000 -2.894) 7.887 6.789 ( 14.711 0.000 -10.104) 17.847 6.793 ( -10.747 -0.000 -0.418) 10.755 7.233 ( -10.513 -0.000 -2.526) 10.812 7.398 ( 12.984 0.000 -13.144) 18.476 7.436 ( 0.521 0.000 -3.746) 3.782 7.565 ( -12.827 -0.000 7.463) 14.840 7.911 ( 18.666 0.000 -1.183) 18.703 8.308 ( 5.850 0.000 10.825) 12.305 8.435 ( 1.427 0.000 -3.147) 3.456 8.615 ( -8.729 -0.000 -6.248) 10.735 10.551 ( -1.701 -0.000 6.348) 6.572 11.840 ( -19.597 -0.000 71.476) 74.114 12.085 ( 0.432 0.000 -2.122) 2.166 14.617 ( 15.801 0.000 1.549) 15.877 15.668 ( -12.325 -0.000 -12.916) 17.853 16.299 ( 0.305 0.000 -13.465) 13.469 18.393 ( -0.008 -0.000 1.196) 1.196 18.412 ( -1.288 -0.000 3.473) 3.704 18.653 ( -1.768 -0.000 -0.604) 1.868 18.839 ( 3.308 0.000 -4.573) 5.644 39.065 ( 0.762 0.000 -0.312) 0.824 39.140 ( 0.725 0.000 -1.391) 1.569 62.609 ( -15.014 -0.000 -5.713) 16.065 63.305 ( 30.404 0.000 -26.947) 40.627 ======================= Grid point 48 (19/91) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 6.268 -0.084 23.729) 24.543 1.303 ( 16.142 -1.175 5.524) 17.102 1.749 ( -1.858 8.931 0.253) 9.126 2.095 ( 4.291 -0.969 2.214) 4.925 2.163 ( 0.105 -1.670 9.879) 10.019 2.366 ( 0.407 -7.207 10.115) 12.426 2.702 ( -5.349 3.003 21.534) 22.391 2.802 ( 6.004 2.387 -1.545) 6.643 2.963 ( 5.174 -10.517 17.378) 20.961 3.407 ( -1.626 -0.179 1.229) 2.046 3.483 ( 2.753 0.822 17.849) 18.078 3.731 ( -1.204 -1.658 0.044) 2.049 3.860 ( -8.070 0.362 0.326) 8.084 4.156 ( -4.303 8.771 -4.405) 10.717 4.844 ( -12.052 -0.181 -2.697) 12.351 5.590 ( 3.389 -1.137 -1.633) 3.930 5.779 ( 2.010 -0.061 -1.453) 2.481 5.790 ( -3.772 0.578 -2.291) 4.450 6.600 ( -9.518 0.872 -0.719) 9.585 6.940 ( 3.842 5.358 -2.928) 7.214 7.052 ( -4.599 -1.084 -5.958) 7.605 7.377 ( -5.005 -1.359 5.653) 7.672 7.455 ( -0.695 -0.758 -0.481) 1.135 7.721 ( 10.417 -7.986 -18.861) 22.979 8.235 ( 16.196 -1.795 -1.773) 16.392 8.362 ( 2.480 3.367 4.997) 6.516 8.415 ( -6.309 4.145 -6.329) 9.851 8.536 ( 2.215 -3.261 1.583) 4.248 10.515 ( -2.058 -0.031 6.654) 6.965 11.616 ( -4.832 2.672 55.997) 56.268 12.099 ( -3.855 -5.582 2.375) 7.188 14.726 ( 12.719 27.283 -0.710) 30.110 15.548 ( -12.384 -22.975 -8.893) 27.573 16.318 ( 3.535 3.037 -12.176) 13.037 18.393 ( 0.112 -0.026 1.770) 1.773 18.397 ( -0.453 0.066 2.161) 2.209 18.632 ( -2.520 -2.331 -0.604) 3.486 18.879 ( 3.175 2.368 -3.583) 5.341 39.078 ( 0.370 0.260 -0.506) 0.679 39.152 ( -0.383 -1.641 -1.721) 2.408 62.345 ( -18.204 -6.250 -4.573) 19.783 63.805 ( 26.591 2.858 -21.555) 34.350 ======================= Grid point 49 (20/91) ======================= q-point: (-0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.389 4.124 24.537) 24.920 1.436 ( -2.296 21.080 2.448) 21.345 1.589 ( 3.063 -9.134 7.852) 12.428 2.131 ( 1.848 0.925 6.101) 6.442 2.180 ( 0.357 0.510 10.161) 10.180 2.456 ( -0.761 -1.661 2.679) 3.243 2.590 ( -4.803 0.036 16.601) 17.282 2.922 ( 11.106 0.062 3.052) 11.518 3.151 ( -2.529 1.247 16.071) 16.316 3.385 ( -1.355 -2.812 3.433) 4.640 3.467 ( -4.425 2.726 4.863) 7.118 3.686 ( 2.558 -7.920 6.619) 10.634 3.925 ( 1.561 0.780 -0.925) 1.975 3.995 ( 5.443 3.630 1.473) 6.706 4.688 ( -10.619 -7.548 -2.112) 13.198 5.630 ( -3.193 -6.518 -1.245) 7.364 5.713 ( 0.751 6.910 -2.952) 7.552 5.831 ( 2.131 -0.906 -1.662) 2.850 6.415 ( -12.139 -1.553 -0.876) 12.269 6.898 ( -1.643 -1.558 -2.169) 3.136 7.076 ( 3.358 0.315 -5.393) 6.361 7.339 ( -3.220 -3.125 4.739) 6.527 7.465 ( 1.278 -0.296 -1.936) 2.338 7.940 ( 6.276 -2.070 -16.992) 18.232 8.164 ( -10.667 5.364 -7.784) 14.253 8.367 ( 3.911 8.164 -0.949) 9.102 8.521 ( 11.601 -2.819 -2.459) 12.189 8.622 ( 5.108 1.053 6.205) 8.105 10.493 ( -1.330 -1.518 6.479) 6.786 11.581 ( 2.053 -1.125 50.300) 50.354 12.084 ( -6.640 -6.923 6.966) 11.856 14.442 ( -7.412 19.132 0.467) 20.522 15.762 ( 5.905 -13.457 -12.250) 19.131 16.350 ( 5.039 3.646 -9.337) 11.219 18.392 ( -0.160 -0.011 1.359) 1.369 18.399 ( 0.408 -0.192 2.677) 2.715 18.616 ( -3.354 -3.129 -0.549) 4.620 18.894 ( 2.903 3.710 -2.980) 5.574 39.070 ( -0.488 0.452 -0.326) 0.741 39.158 ( -1.708 -1.585 -2.119) 3.149 62.124 ( -19.864 -11.978 -3.601) 23.474 64.175 ( 26.968 12.964 -23.289) 37.918 ======================= Grid point 50 (21/91) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.790 15.394 16.454) 22.603 1.116 ( -2.054 18.282 16.580) 24.766 1.760 ( 1.850 -8.623 6.875) 11.182 2.025 ( -6.180 21.415 -1.792) 22.361 2.192 ( 0.379 -1.440 11.185) 11.284 2.334 ( -4.917 4.390 18.059) 19.224 2.541 ( -1.790 -4.219 16.721) 17.338 2.958 ( -3.919 3.201 19.355) 20.006 3.183 ( 14.654 0.169 -1.290) 14.712 3.405 ( -0.936 -1.821 0.604) 2.135 3.438 ( 0.179 -1.549 5.973) 6.173 3.755 ( -8.062 -6.718 0.295) 10.498 3.983 ( 10.166 -0.635 6.700) 12.192 4.239 ( 9.556 -11.667 -1.950) 15.206 4.623 ( -11.194 -10.313 -1.668) 15.312 5.614 ( -0.217 6.830 -1.716) 7.045 5.682 ( -0.057 -2.848 -2.074) 3.524 5.881 ( 0.838 -3.450 -2.459) 4.319 6.233 ( -10.755 -2.613 -0.508) 11.079 6.931 ( -0.653 -6.009 -3.927) 7.208 7.156 ( 5.512 -1.202 -3.594) 6.689 7.325 ( -2.053 -1.659 0.653) 2.719 7.504 ( 2.362 -0.159 0.355) 2.394 7.815 ( -10.458 10.124 -3.358) 14.938 8.092 ( 3.259 0.026 -21.441) 21.687 8.296 ( 1.056 9.955 -0.144) 10.012 8.657 ( 3.887 3.268 -0.597) 5.113 8.735 ( 8.201 -0.035 1.068) 8.270 10.507 ( -0.358 -2.895 5.988) 6.660 11.740 ( 9.545 -9.685 50.107) 51.919 12.057 ( -6.933 -9.307 17.573) 21.060 14.075 ( -12.779 9.897 2.079) 16.297 15.985 ( 7.424 -1.215 -18.105) 19.605 16.401 ( 4.612 2.121 -7.475) 9.036 18.391 ( -0.033 -0.087 0.927) 0.931 18.416 ( 1.026 -0.742 4.091) 4.283 18.590 ( -3.740 -2.750 -0.194) 4.647 18.888 ( 2.016 4.260 -2.863) 5.515 39.057 ( -0.804 -0.216 -0.126) 0.842 39.132 ( -1.994 -0.066 -2.063) 2.870 61.959 ( -16.197 -12.871 -2.723) 20.867 64.403 ( 22.203 21.907 -34.491) 46.503 ======================= Grid point 51 (22/91) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 26.341 4.952) 26.802 0.883 ( 0.000 13.941 25.245) 28.838 1.480 ( 0.000 37.498 18.201) 41.682 1.898 ( -0.000 -8.636 6.786) 10.983 2.200 ( 0.000 0.532 10.186) 10.200 2.288 ( 0.000 0.439 19.710) 19.715 2.646 ( -0.000 -12.861 18.096) 22.201 2.931 ( -0.000 -1.377 13.994) 14.062 3.355 ( -0.000 -1.820 8.938) 9.122 3.419 ( -0.000 -1.583 -0.597) 1.691 3.530 ( -0.000 -5.852 -0.053) 5.853 3.623 ( -0.000 -0.471 -1.109) 1.205 4.127 ( 0.000 3.053 10.200) 10.647 4.532 ( -0.000 -1.307 -6.212) 6.348 4.597 ( -0.000 -24.469 -1.428) 24.511 5.490 ( 0.000 11.493 -2.305) 11.722 5.710 ( -0.000 -0.603 -1.547) 1.661 5.956 ( -0.000 -6.505 -3.091) 7.202 6.148 ( -0.000 -1.965 0.216) 1.977 7.009 ( -0.000 -7.025 -5.207) 8.744 7.270 ( 0.000 3.091 -5.992) 6.742 7.314 ( -0.000 -7.821 1.305) 7.929 7.528 ( 0.000 1.561 0.022) 1.561 7.535 ( 0.000 13.575 -2.740) 13.849 8.133 ( -0.000 -1.319 -18.943) 18.989 8.174 ( 0.000 10.180 1.902) 10.356 8.625 ( 0.000 8.153 -3.816) 9.002 8.822 ( -0.000 -0.718 -1.014) 1.242 10.542 ( -0.000 -2.716 5.554) 6.182 11.981 ( -0.000 -3.915 -1.417) 4.164 12.321 ( -0.000 -48.590 87.292) 99.905 13.793 ( 0.000 10.403 2.405) 10.677 16.007 ( 0.000 8.945 -25.031) 26.581 16.433 ( 0.000 0.922 -6.846) 6.908 18.392 ( -0.000 -0.097 0.779) 0.785 18.456 ( -0.000 -3.144 6.110) 6.872 18.569 ( -0.000 -1.360 0.050) 1.361 18.853 ( 0.000 4.630 -3.398) 5.744 39.048 ( -0.000 -0.110 -0.018) 0.111 39.112 ( -0.000 -0.016 -1.497) 1.497 61.924 ( -0.000 -8.734 -2.055) 8.972 64.264 ( 0.000 40.139 -55.034) 68.116 ======================= Grid point 54 (23/91) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 5.369 0.000 24.052) 24.644 1.445 ( 3.610 0.000 7.547) 8.366 1.812 ( -3.475 -0.000 -2.646) 4.368 2.111 ( -1.111 -0.000 8.708) 8.779 2.262 ( 11.306 0.000 -4.921) 12.330 2.291 ( 0.055 0.000 16.975) 16.975 2.610 ( -5.669 -0.000 19.951) 20.741 2.892 ( 3.500 0.000 15.406) 15.799 3.094 ( 13.688 0.000 -4.452) 14.394 3.373 ( -2.480 -0.000 2.627) 3.613 3.540 ( -12.001 -0.000 2.040) 12.173 3.574 ( 5.304 0.000 15.763) 16.632 3.897 ( 4.278 0.000 -2.052) 4.744 4.144 ( -2.540 -0.000 0.874) 2.686 4.583 ( -14.745 -0.000 -0.063) 14.745 5.510 ( -6.371 -0.000 -0.044) 6.371 5.815 ( 2.130 0.000 -3.710) 4.278 5.825 ( 2.672 0.000 -1.729) 3.183 6.402 ( -12.105 -0.000 -1.002) 12.146 6.875 ( -7.304 -0.000 -0.141) 7.305 7.079 ( 1.089 0.000 -2.722) 2.932 7.291 ( 0.691 0.000 3.255) 3.328 7.454 ( 0.433 0.000 -3.640) 3.665 7.913 ( 11.497 0.000 -19.076) 22.272 8.235 ( -9.568 -0.000 -5.215) 10.897 8.477 ( 11.575 0.000 -2.229) 11.788 8.496 ( 2.321 0.000 -2.386) 3.328 8.617 ( 9.076 0.000 7.080) 11.511 10.471 ( -2.462 -0.000 6.745) 7.180 11.580 ( -0.932 -0.000 54.934) 54.941 11.978 ( -5.499 -0.000 -0.848) 5.564 14.836 ( -28.576 -0.000 -2.821) 28.715 15.469 ( 28.391 0.000 -8.196) 29.550 16.397 ( 3.219 0.000 -9.996) 10.502 18.392 ( -0.235 -0.000 1.432) 1.451 18.397 ( 0.302 0.000 2.532) 2.550 18.572 ( -2.628 -0.000 -0.268) 2.642 18.946 ( 2.651 0.000 -3.434) 4.338 39.094 ( 0.767 0.000 -1.031) 1.285 39.112 ( -2.422 -0.000 -0.892) 2.581 61.953 ( -19.315 -0.000 -2.655) 19.497 64.340 ( 28.149 0.000 -21.926) 35.681 ======================= Grid point 55 (24/91) ======================= q-point: (-0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 2.278 5.359 26.643) 27.271 1.485 ( -1.999 -2.980 9.399) 10.061 1.678 ( 0.549 11.588 -1.103) 11.654 2.113 ( -0.346 -3.069 10.513) 10.957 2.274 ( 3.623 4.092 14.160) 15.178 2.442 ( 1.335 -0.554 -4.534) 4.759 2.517 ( -3.750 0.816 14.677) 15.171 3.051 ( 8.003 -2.208 18.155) 19.963 3.233 ( 3.179 5.614 1.519) 6.628 3.328 ( 0.335 -2.867 1.816) 3.410 3.412 ( -2.019 -0.631 0.666) 2.218 3.629 ( -1.651 -2.502 3.416) 4.545 3.890 ( -6.037 -3.316 -0.735) 6.927 4.126 ( 3.832 2.006 7.188) 8.389 4.440 ( -4.859 -4.688 0.227) 6.756 5.470 ( -2.625 -6.988 0.439) 7.477 5.803 ( -0.371 4.031 -3.201) 5.161 5.861 ( 1.686 0.533 -2.228) 2.844 6.208 ( -9.134 -0.122 -0.562) 9.152 6.805 ( -2.937 -3.278 -0.391) 4.418 7.072 ( -1.700 -2.984 1.311) 3.676 7.351 ( 4.425 1.970 -3.493) 5.972 7.472 ( 0.992 -1.631 -2.506) 3.150 8.010 ( -3.189 4.010 -5.634) 7.615 8.101 ( 0.668 0.917 -18.615) 18.650 8.490 ( 1.076 4.426 -1.905) 4.937 8.652 ( 6.247 -1.078 -2.467) 6.802 8.763 ( 7.075 0.806 5.521) 9.010 10.444 ( -1.488 -1.618 6.417) 6.783 11.598 ( 1.962 -2.311 53.786) 53.872 11.907 ( -4.810 -2.959 1.283) 5.792 14.340 ( -18.327 7.430 1.003) 19.801 15.922 ( 17.322 -2.237 -14.160) 22.485 16.438 ( 2.218 0.761 -7.932) 8.271 18.389 ( -0.089 -0.040 0.986) 0.991 18.405 ( 0.516 -0.201 3.509) 3.552 18.537 ( -2.320 -1.251 -0.016) 2.636 18.972 ( 1.637 1.946 -3.142) 4.042 39.062 ( -1.582 0.544 -0.238) 1.690 39.113 ( -0.441 -1.021 -1.516) 1.880 61.703 ( -12.979 -6.117 -1.162) 14.395 64.725 ( 18.828 5.791 -25.454) 32.186 ======================= Grid point 56 (25/91) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 10.011 28.281) 30.001 1.369 ( 0.000 18.055 2.735) 18.261 1.660 ( -0.000 -6.628 6.011) 8.947 2.161 ( -0.000 -3.685 11.857) 12.416 2.291 ( 0.000 19.159 -6.246) 20.152 2.304 ( 0.000 0.894 20.424) 20.443 2.486 ( -0.000 -0.874 12.423) 12.453 2.981 ( 0.000 8.034 21.651) 23.094 3.347 ( 0.000 0.418 3.750) 3.774 3.355 ( -0.000 -4.275 -0.091) 4.276 3.428 ( -0.000 -2.288 1.324) 2.644 3.605 ( -0.000 -0.905 -1.702) 1.928 3.994 ( -0.000 -20.440 -0.325) 20.442 4.154 ( 0.000 0.259 8.606) 8.610 4.456 ( -0.000 -3.705 -1.460) 3.982 5.569 ( -0.000 -10.068 -0.593) 10.086 5.723 ( 0.000 7.114 -2.494) 7.539 5.870 ( 0.000 0.128 -2.419) 2.422 6.122 ( -0.000 -0.189 -0.079) 0.204 6.841 ( -0.000 -5.925 -2.039) 6.266 7.120 ( -0.000 -6.638 2.595) 7.127 7.353 ( 0.000 3.555 -6.614) 7.509 7.516 ( -0.000 -1.957 -0.204) 1.967 7.852 ( 0.000 10.192 -2.774) 10.563 8.123 ( 0.000 0.279 -21.595) 21.596 8.419 ( 0.000 8.053 -0.944) 8.108 8.714 ( -0.000 -0.049 -2.865) 2.865 8.821 ( 0.000 0.855 2.786) 2.914 10.462 ( -0.000 -3.098 6.039) 6.787 11.709 ( -0.000 -10.283 62.008) 62.855 11.888 ( -0.000 -2.875 -0.375) 2.899 14.067 ( 0.000 9.612 2.337) 9.892 16.084 ( 0.000 0.469 -17.970) 17.976 16.453 ( 0.000 0.570 -7.010) 7.033 18.389 ( -0.000 -0.093 0.825) 0.830 18.417 ( -0.000 -0.691 4.444) 4.498 18.529 ( -0.000 -1.525 0.047) 1.525 18.954 ( 0.000 3.273 -2.969) 4.419 39.046 ( -0.000 -0.091 -0.001) 0.091 39.112 ( -0.000 -0.094 -1.693) 1.696 61.677 ( -0.000 -9.198 -0.840) 9.236 64.806 ( 0.000 10.498 -31.722) 33.414 ======================= Grid point 62 (26/91) ======================= q-point: (-0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.000 -0.000 28.677) 28.677 1.441 ( -0.000 -0.000 10.949) 10.949 1.755 ( -0.000 -0.000 -2.764) 2.764 2.085 ( -0.000 -0.000 10.523) 10.523 2.324 ( -0.000 -0.000 20.580) 20.580 2.475 ( 0.000 0.000 -8.539) 8.539 2.484 ( -0.000 -0.000 10.892) 10.892 3.175 ( 0.000 0.000 19.853) 19.853 3.242 ( -0.000 -0.000 0.861) 0.861 3.363 ( -0.000 -0.000 3.051) 3.051 3.393 ( 0.000 0.000 -0.437) 0.437 3.589 ( -0.000 -0.000 -2.216) 2.216 3.737 ( -0.000 -0.000 0.377) 0.377 4.170 ( -0.000 -0.000 10.320) 10.320 4.394 ( -0.000 -0.000 -0.820) 0.820 5.399 ( -0.000 -0.000 1.129) 1.129 5.821 ( -0.000 -0.000 -2.805) 2.805 5.881 ( -0.000 -0.000 -2.481) 2.481 6.123 ( -0.000 -0.000 -0.228) 0.228 6.755 ( -0.000 -0.000 0.666) 0.666 7.030 ( -0.000 -0.000 1.798) 1.798 7.427 ( -0.000 -0.000 -5.231) 5.231 7.462 ( 0.000 0.000 -3.613) 3.613 7.988 ( -0.000 -0.000 -2.595) 2.595 8.130 ( -0.000 -0.000 -20.147) 20.147 8.527 ( -0.000 -0.000 -1.960) 1.960 8.702 ( -0.000 -0.000 -2.525) 2.525 8.835 ( -0.000 -0.000 4.752) 4.752 10.418 ( -0.000 -0.000 6.334) 6.334 11.596 ( -0.000 -0.000 53.949) 53.949 11.851 ( -0.000 -0.000 0.036) 0.036 14.198 ( -0.000 -0.000 2.380) 2.380 16.086 ( -0.000 -0.000 -16.029) 16.029 16.460 ( -0.000 -0.000 -7.317) 7.317 18.388 ( -0.000 -0.000 0.853) 0.853 18.409 ( -0.000 -0.000 4.010) 4.010 18.508 ( -0.000 -0.000 0.046) 0.046 18.998 ( -0.000 -0.000 -3.153) 3.153 39.044 ( -0.000 -0.000 0.008) 0.008 39.110 ( -0.000 -0.000 -1.516) 1.516 61.549 ( -0.000 -0.000 -0.175) 0.175 64.929 ( -0.000 -0.000 -25.870) 25.870 ======================= Grid point 78 (27/91) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 0.000 25.875) 25.875 0.803 ( 0.000 0.000 22.754) 22.754 1.928 ( 0.000 0.000 44.469) 44.469 2.189 ( 0.000 0.000 11.220) 11.220 2.429 ( 0.000 0.000 14.618) 14.618 2.740 ( 0.000 0.000 25.203) 25.203 3.101 ( 0.000 0.000 8.321) 8.321 3.214 ( 0.000 0.000 14.061) 14.061 3.422 ( 0.000 0.000 -1.119) 1.119 3.537 ( 0.000 0.000 2.422) 2.422 3.606 ( 0.000 0.000 -1.329) 1.329 3.698 ( 0.000 0.000 5.768) 5.768 4.367 ( 0.000 0.000 -6.577) 6.577 4.416 ( 0.000 0.000 22.235) 22.235 4.995 ( 0.000 0.000 -10.086) 10.086 5.154 ( 0.000 0.000 2.818) 2.818 5.703 ( 0.000 0.000 -0.581) 0.581 5.943 ( 0.000 0.000 -7.237) 7.237 6.199 ( 0.000 0.000 1.105) 1.105 6.974 ( 0.000 0.000 -10.048) 10.048 7.173 ( 0.000 0.000 -1.876) 1.876 7.258 ( 0.000 0.000 -2.731) 2.731 7.356 ( 0.000 0.000 -6.678) 6.678 7.389 ( 0.000 0.000 -2.150) 2.150 8.111 ( 0.000 0.000 3.999) 3.999 8.205 ( 0.000 0.000 1.205) 1.205 8.318 ( 0.000 0.000 -5.825) 5.825 8.774 ( 0.000 0.000 -3.568) 3.568 10.676 ( 0.000 0.000 3.049) 3.049 11.983 ( 0.000 0.000 -3.592) 3.592 13.748 ( 0.000 0.000 8.534) 8.534 14.490 ( 0.000 0.000 7.503) 7.503 15.291 ( 0.000 0.000 2.678) 2.678 16.240 ( 0.000 0.000 -10.005) 10.005 18.414 ( 0.000 0.000 1.294) 1.294 18.589 ( 0.000 0.000 0.091) 0.091 18.641 ( 0.000 0.000 0.252) 0.252 18.667 ( 0.000 0.000 -1.167) 1.167 39.051 ( 0.000 0.000 0.203) 0.203 39.103 ( 0.000 0.000 -0.940) 0.940 61.973 ( 0.000 0.000 -4.319) 4.319 62.700 ( 0.000 0.000 -11.534) 11.534 ======================= Grid point 79 (28/91) ======================= q-point: ( 0.17 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 11.494 -4.734 20.629) 24.085 1.122 ( 17.454 -18.499 13.257) 28.681 1.921 ( -3.623 -4.400 36.810) 37.248 2.156 ( -0.781 3.909 11.344) 12.025 2.436 ( -0.389 -1.654 15.123) 15.218 2.765 ( 1.070 0.418 23.987) 24.014 3.075 ( 3.808 7.585 14.135) 16.488 3.213 ( -9.504 -0.610 9.458) 13.422 3.277 ( -10.646 -2.722 13.352) 17.292 3.426 ( 0.815 0.639 0.149) 1.047 3.556 ( 2.557 0.461 2.111) 3.347 3.904 ( 10.885 5.053 -2.300) 12.219 4.259 ( -11.198 0.803 13.179) 17.313 4.305 ( -11.341 -0.767 3.940) 12.030 4.888 ( 3.966 12.662 -6.351) 14.710 5.335 ( 5.424 -9.191 -0.711) 10.696 5.703 ( 0.546 0.573 -0.627) 1.010 5.894 ( -3.097 2.559 -6.340) 7.506 6.322 ( 13.866 4.080 -1.317) 14.513 6.953 ( -0.509 4.489 -7.485) 8.743 7.019 ( -9.192 -2.421 -3.387) 10.091 7.332 ( -1.193 -5.177 -6.334) 8.267 7.344 ( -2.011 -2.410 -5.869) 6.655 7.582 ( 16.397 -2.075 -1.245) 16.575 7.934 ( -10.184 3.539 0.317) 10.786 8.204 ( 4.299 5.427 -0.695) 6.958 8.464 ( 1.789 -10.473 -1.369) 10.713 8.706 ( -7.667 -1.300 -1.830) 7.989 10.674 ( 0.509 1.275 3.876) 4.112 11.988 ( 1.665 1.826 -3.215) 4.055 13.509 ( -22.145 2.027 37.134) 43.284 14.340 ( 11.342 22.921 12.209) 28.339 15.457 ( 3.115 -9.992 -13.296) 16.921 16.158 ( -8.699 -1.577 -10.913) 14.045 18.416 ( 0.310 0.021 1.475) 1.507 18.528 ( -3.169 1.181 3.154) 4.624 18.643 ( 2.118 1.901 -0.942) 2.998 18.719 ( 0.118 -3.516 -2.869) 4.539 39.056 ( 0.452 -0.255 0.006) 0.519 39.100 ( 0.454 0.556 -1.024) 1.250 62.157 ( 20.153 10.535 -9.240) 24.546 62.869 ( -4.893 -30.499 -21.548) 37.662 ======================= Grid point 80 (29/91) ======================= q-point: ( 0.33 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 12.985 -7.671 15.058) 21.312 1.574 ( 9.391 -10.112 18.545) 23.116 1.918 ( -3.326 -3.407 16.590) 17.259 2.079 ( -0.289 4.981 8.863) 10.171 2.453 ( -0.487 -1.798 16.018) 16.126 2.736 ( -1.128 1.700 18.866) 18.976 2.912 ( -13.822 -0.285 6.527) 15.288 3.072 ( 2.712 3.270 19.095) 19.562 3.405 ( 4.842 -4.877 7.306) 10.030 3.446 ( 3.961 -2.406 13.281) 14.066 3.625 ( 6.187 0.256 4.934) 7.918 3.941 ( 2.081 6.149 -1.120) 6.587 4.044 ( -10.069 3.136 16.148) 19.287 4.071 ( -11.764 1.407 2.286) 12.066 4.817 ( 0.978 7.029 -4.356) 8.327 5.499 ( 3.208 -4.562 -1.408) 5.752 5.711 ( 1.900 1.496 -1.044) 2.634 5.801 ( -3.846 1.447 -5.026) 6.492 6.494 ( 12.356 6.621 -1.600) 14.109 6.861 ( -5.633 -0.957 -3.154) 6.526 6.931 ( -2.295 1.973 -7.480) 8.069 7.333 ( -3.250 -4.644 -7.327) 9.264 7.411 ( 3.255 -2.515 -4.155) 5.846 7.740 ( -7.431 0.816 -4.877) 8.925 7.921 ( 16.802 -2.423 -2.776) 17.201 8.214 ( 0.982 0.578 -1.672) 2.024 8.496 ( -8.700 0.422 -5.082) 10.085 8.645 ( -1.058 -5.950 5.763) 8.351 10.661 ( 0.062 1.451 5.180) 5.380 11.986 ( 1.069 2.367 -1.108) 2.823 13.157 ( -11.246 2.947 58.641) 59.782 14.346 ( 9.620 9.415 6.709) 15.040 15.563 ( 0.348 -3.176 -17.688) 17.974 16.032 ( -7.566 -2.503 -13.394) 15.586 18.425 ( 0.696 -0.037 1.993) 2.111 18.474 ( -1.855 0.552 3.457) 3.962 18.659 ( 1.242 0.543 -1.381) 1.935 18.747 ( -0.306 -1.602 -3.319) 3.698 39.066 ( 0.281 0.033 -0.209) 0.352 39.115 ( 1.115 -0.399 -1.959) 2.289 62.303 ( 11.859 9.890 -8.430) 17.594 63.134 ( -4.758 -21.265 -28.973) 36.253 ======================= Grid point 81 (30/91) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 -0.000 11.209) 11.209 1.698 ( 0.000 -0.000 29.988) 29.988 1.862 ( 0.000 0.000 14.698) 14.698 2.068 ( -0.000 0.000 -3.192) 3.192 2.458 ( 0.000 0.000 16.348) 16.348 2.720 ( 0.000 0.000 16.317) 16.317 2.788 ( 0.000 -0.000 5.410) 5.410 3.080 ( 0.000 0.000 21.425) 21.425 3.430 ( 0.000 0.000 0.587) 0.587 3.601 ( 0.000 0.000 1.933) 1.933 3.738 ( 0.000 -0.000 25.187) 25.187 3.841 ( -0.000 0.000 2.121) 2.121 3.894 ( -0.000 -0.000 3.694) 3.694 3.965 ( -0.000 -0.000 12.458) 12.458 4.769 ( 0.000 -0.000 -3.548) 3.548 5.558 ( 0.000 -0.000 -2.152) 2.152 5.731 ( 0.000 -0.000 -3.441) 3.441 5.742 ( -0.000 -0.000 -2.187) 2.187 6.568 ( -0.000 -0.000 -0.917) 0.917 6.809 ( 0.000 -0.000 -3.122) 3.122 6.897 ( 0.000 -0.000 -7.630) 7.630 7.336 ( 0.000 -0.000 -7.766) 7.766 7.470 ( 0.000 0.000 -0.171) 0.171 7.656 ( 0.000 -0.000 -10.375) 10.375 8.170 ( 0.000 -0.000 -3.207) 3.207 8.222 ( -0.000 -0.000 -3.886) 3.886 8.324 ( 0.000 -0.000 -2.690) 2.690 8.685 ( 0.000 0.000 6.195) 6.195 10.650 ( 0.000 -0.000 5.690) 5.690 11.977 ( 0.000 -0.000 0.731) 0.731 13.046 ( 0.000 -0.000 60.486) 60.486 14.379 ( 0.000 0.000 5.331) 5.331 15.581 ( 0.000 -0.000 -17.035) 17.035 15.978 ( 0.000 -0.000 -14.838) 14.838 18.440 ( -0.000 -0.000 2.670) 2.670 18.446 ( 0.000 -0.000 2.823) 2.823 18.667 ( 0.000 -0.000 -1.540) 1.540 18.754 ( 0.000 -0.000 -3.335) 3.335 39.067 ( 0.000 -0.000 -0.209) 0.209 39.131 ( 0.000 -0.000 -2.515) 2.515 62.344 ( 0.000 -0.000 -8.148) 8.148 63.221 ( 0.000 -0.000 -28.787) 28.787 ======================= Grid point 86 (31/91) ======================= q-point: ( 0.17 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 15.965 0.000 12.797) 20.461 1.349 ( 19.071 0.000 13.813) 23.548 1.871 ( 1.453 0.000 27.978) 28.016 2.162 ( -1.078 -0.000 10.027) 10.084 2.415 ( -0.673 -0.000 14.846) 14.862 2.758 ( -3.457 -0.000 21.611) 21.886 2.909 ( -13.955 -0.000 5.941) 15.167 3.164 ( -1.968 -0.000 12.375) 12.530 3.286 ( 8.702 0.000 26.478) 27.872 3.445 ( 0.648 0.000 2.090) 2.188 3.620 ( 4.408 0.000 0.015) 4.408 3.966 ( -8.251 -0.000 14.270) 16.483 4.095 ( -12.372 -0.000 -1.705) 12.488 4.128 ( -0.049 -0.000 5.145) 5.145 4.932 ( -5.456 -0.000 -6.763) 8.690 5.434 ( 9.210 0.000 -0.431) 9.220 5.721 ( 1.118 0.000 -1.150) 1.603 5.825 ( -5.805 -0.000 -4.867) 7.575 6.647 ( 16.202 0.000 -4.893) 16.925 6.781 ( -11.197 -0.000 -0.888) 11.232 7.097 ( 7.631 0.000 -14.516) 16.399 7.167 ( -8.822 -0.000 -3.870) 9.633 7.335 ( 0.600 0.000 -6.160) 6.189 7.726 ( -12.184 -0.000 5.793) 13.491 7.877 ( 17.706 0.000 -2.233) 17.847 8.347 ( 1.680 0.000 -5.644) 5.889 8.434 ( 3.352 0.000 -0.665) 3.417 8.549 ( -6.168 -0.000 2.776) 6.764 10.681 ( -0.757 -0.000 5.315) 5.369 12.027 ( 0.808 0.000 -3.643) 3.731 13.147 ( -17.944 -0.000 55.851) 58.663 14.663 ( 11.200 0.000 3.156) 11.636 15.402 ( -4.871 -0.000 -11.453) 12.446 16.008 ( -4.321 -0.000 -15.039) 15.648 18.425 ( 0.634 0.000 1.977) 2.076 18.484 ( -2.400 -0.000 3.466) 4.216 18.637 ( -1.635 -0.000 -1.017) 1.926 18.750 ( 3.380 0.000 -3.992) 5.231 39.060 ( 0.405 0.000 -0.133) 0.426 39.112 ( 0.395 0.000 -1.291) 1.350 62.454 ( -13.309 -0.000 -9.568) 16.391 62.784 ( 31.169 0.000 -23.969) 39.320 ======================= Grid point 87 (32/91) ======================= q-point: ( 0.33 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 13.853 0.903 10.681) 17.516 1.622 ( 7.328 -5.901 19.772) 21.896 1.887 ( -1.423 4.706 15.880) 16.624 2.143 ( 1.394 1.782 5.522) 5.967 2.422 ( -0.051 -2.214 15.550) 15.707 2.663 ( -3.787 -1.913 15.684) 16.248 2.830 ( 2.832 1.353 7.971) 8.567 3.122 ( -0.564 2.273 15.846) 16.019 3.387 ( -2.036 -4.777 17.877) 18.616 3.457 ( -0.030 -1.822 9.181) 9.360 3.705 ( 2.392 -0.978 1.219) 2.857 3.854 ( -4.043 -1.116 10.513) 11.319 3.891 ( -8.458 -0.319 3.920) 9.328 4.127 ( 4.276 6.290 6.593) 10.066 4.785 ( -8.934 1.042 -2.891) 9.448 5.555 ( 3.574 -0.389 -1.623) 3.944 5.711 ( -3.960 -0.426 -4.365) 5.909 5.762 ( 1.286 0.577 -1.223) 1.866 6.579 ( -10.166 0.562 -1.416) 10.279 6.865 ( 8.675 1.684 -4.312) 9.833 6.955 ( -5.047 5.732 -4.433) 8.831 7.285 ( 4.538 -2.563 -10.738) 11.937 7.413 ( 3.874 -8.316 -10.687) 14.084 7.549 ( -8.642 -0.627 4.602) 9.811 8.184 ( 15.043 -1.560 -3.349) 15.490 8.285 ( -6.625 4.558 -6.380) 10.265 8.363 ( -0.860 2.283 -3.432) 4.211 8.642 ( 6.535 -2.630 7.722) 10.452 10.653 ( -1.979 0.145 5.847) 6.175 12.005 ( -1.962 1.418 -1.829) 3.034 12.938 ( -9.034 -4.788 61.583) 62.426 14.723 ( 8.708 21.576 0.898) 23.284 15.341 ( -9.565 -16.657 -10.640) 21.958 16.018 ( 4.975 1.536 -17.057) 17.834 18.439 ( 0.954 -0.042 2.722) 2.885 18.449 ( -1.425 0.144 2.816) 3.159 18.616 ( -2.217 -1.914 -0.940) 3.076 18.799 ( 3.247 1.622 -4.149) 5.513 39.068 ( 0.153 -0.047 -0.420) 0.450 39.116 ( -0.256 -0.635 -1.661) 1.797 62.222 ( -16.092 -5.595 -7.515) 18.621 63.292 ( 26.187 3.078 -28.207) 38.612 ======================= Grid point 88 (33/91) ======================= q-point: (-0.50 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.712 11.821 10.605) 15.896 1.759 ( -0.874 6.331 24.768) 25.579 1.810 ( 3.918 -7.989 15.128) 17.551 2.141 ( 3.193 4.824 0.389) 5.798 2.449 ( 0.127 -1.723 16.393) 16.484 2.685 ( 0.772 -2.535 15.969) 16.188 2.928 ( 9.105 1.121 8.838) 12.738 3.065 ( -1.857 2.378 18.817) 19.058 3.403 ( -1.896 -3.207 0.425) 3.750 3.496 ( -2.840 -8.424 7.818) 11.838 3.606 ( -8.623 3.350 16.571) 18.978 3.791 ( -4.468 -1.175 0.714) 4.675 3.919 ( 4.416 -4.953 0.762) 6.680 4.157 ( 8.425 6.737 15.672) 19.026 4.660 ( -6.910 -4.864 0.280) 8.455 5.597 ( -0.122 -3.215 -2.027) 3.802 5.648 ( -1.691 2.924 -3.244) 4.683 5.788 ( 1.558 0.193 -2.475) 2.931 6.392 ( -11.924 -1.799 -1.359) 12.135 6.847 ( -2.037 0.609 -3.022) 3.695 6.972 ( 6.715 2.211 -4.599) 8.434 7.373 ( 2.254 -2.352 -4.573) 5.615 7.430 ( -5.005 -0.457 0.561) 5.057 7.595 ( 4.672 -6.172 -15.560) 17.379 8.039 ( -11.593 5.926 -5.641) 14.189 8.336 ( 2.758 6.220 -2.605) 7.286 8.454 ( 10.813 -2.344 -4.236) 11.847 8.752 ( 5.733 2.368 7.318) 9.594 10.623 ( -1.970 -1.294 5.180) 5.691 11.950 ( -2.788 -0.273 -0.071) 2.802 12.941 ( -1.445 -10.454 61.025) 61.931 14.477 ( -6.909 15.533 3.589) 17.374 15.472 ( 3.101 -8.786 -15.524) 18.105 16.106 ( 7.516 2.459 -14.444) 16.467 18.427 ( -0.856 0.070 2.043) 2.217 18.463 ( 1.374 -0.305 3.481) 3.755 18.602 ( -2.646 -2.587 -0.748) 3.775 18.823 ( 2.791 3.012 -3.924) 5.680 39.063 ( -0.371 0.156 -0.237) 0.467 39.114 ( -1.273 -0.743 -1.987) 2.474 62.029 ( -17.157 -10.267 -5.761) 20.808 63.605 ( 21.400 14.009 -32.000) 40.966 ======================= Grid point 89 (34/91) ======================= q-point: (-0.33 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -2.378 18.410 13.277) 22.822 1.568 ( -7.886 14.428 16.295) 23.149 1.962 ( 2.065 -8.398 13.262) 15.833 2.144 ( 5.468 9.105 16.350) 19.496 2.475 ( 0.757 -0.347 16.939) 16.960 2.728 ( 1.607 -2.190 18.815) 19.010 2.921 ( -7.674 -2.802 21.193) 22.713 3.208 ( 15.133 -0.226 4.916) 15.914 3.381 ( -2.678 2.880 8.749) 9.593 3.417 ( -1.917 2.770 12.700) 13.139 3.516 ( -2.927 -3.387 2.138) 4.961 3.750 ( -8.432 -5.648 -0.110) 10.149 4.146 ( 9.184 -13.541 2.094) 16.496 4.251 ( 7.160 0.529 7.895) 10.672 4.622 ( -7.493 -6.058 3.735) 10.334 5.561 ( -0.332 8.037 -3.336) 8.708 5.649 ( -0.528 -4.962 -1.152) 5.121 5.816 ( 0.903 -1.794 -3.891) 4.379 6.224 ( -9.592 -2.532 -0.298) 9.925 6.845 ( -0.636 -3.248 -4.540) 5.618 7.077 ( 8.227 1.558 -3.635) 9.128 7.338 ( -5.200 -2.738 -0.192) 5.880 7.458 ( 3.965 2.107 -5.758) 7.302 7.723 ( -2.727 -1.509 -9.557) 10.053 7.749 ( -6.054 3.523 -8.573) 11.070 8.287 ( 1.280 7.311 -1.230) 7.524 8.602 ( 3.826 0.599 -4.223) 5.730 8.797 ( 5.566 5.340 4.693) 9.029 10.621 ( -1.171 -2.650 3.941) 4.891 11.926 ( -1.841 -2.405 -1.080) 3.216 13.170 ( 6.864 -19.932 59.584) 63.203 14.159 ( -11.572 8.265 7.041) 15.868 15.591 ( 3.786 1.136 -19.758) 20.149 16.207 ( 6.306 1.600 -11.517) 13.228 18.416 ( -0.386 -0.037 1.512) 1.561 18.498 ( 1.882 -0.927 3.758) 4.304 18.586 ( -2.743 -2.382 -0.102) 3.634 18.820 ( 1.762 3.937 -3.732) 5.704 39.055 ( -0.563 -0.183 0.051) 0.595 39.093 ( -1.289 -0.129 -1.578) 2.041 61.888 ( -13.258 -10.667 -4.177) 17.522 63.664 ( 12.706 26.028 -37.127) 47.089 ======================= Grid point 90 (35/91) ======================= q-point: (-0.17 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 18.407 16.891) 24.982 1.218 ( 0.000 22.502 13.308) 26.142 2.064 ( 0.000 10.358 34.644) 36.160 2.088 ( -0.000 -7.561 12.160) 14.319 2.466 ( 0.000 2.277 16.477) 16.634 2.752 ( 0.000 0.868 25.511) 25.525 2.924 ( -0.000 -9.887 11.192) 14.934 3.265 ( 0.000 2.975 18.057) 18.300 3.404 ( -0.000 -1.292 -0.880) 1.563 3.516 ( -0.000 -1.296 3.938) 4.146 3.566 ( -0.000 -6.919 7.714) 10.363 3.595 ( -0.000 -0.861 -1.593) 1.811 4.339 ( -0.000 -2.003 0.228) 2.016 4.498 ( 0.000 3.639 13.119) 13.614 4.549 ( -0.000 -23.198 -3.655) 23.485 5.434 ( 0.000 10.933 -3.083) 11.360 5.686 ( -0.000 -1.627 -0.886) 1.852 5.870 ( -0.000 -4.609 -5.478) 7.159 6.157 ( -0.000 -2.279 0.777) 2.408 6.890 ( -0.000 -4.435 -6.568) 7.925 7.179 ( 0.000 0.843 -3.460) 3.562 7.320 ( -0.000 -4.233 -1.330) 4.437 7.449 ( 0.000 5.348 -7.582) 9.278 7.473 ( 0.000 12.208 -2.822) 12.530 7.880 ( -0.000 -12.787 -8.298) 15.244 8.206 ( 0.000 6.747 0.967) 6.816 8.574 ( 0.000 7.480 -2.537) 7.899 8.805 ( 0.000 2.924 -0.329) 2.943 10.643 ( -0.000 -2.446 3.164) 4.000 11.942 ( -0.000 -2.682 -2.409) 3.605 13.667 ( -0.000 -38.555 50.309) 63.383 13.891 ( 0.000 10.151 8.190) 13.043 15.563 ( 0.000 7.971 -18.593) 20.229 16.257 ( 0.000 0.888 -10.243) 10.281 18.413 ( -0.000 -0.065 1.313) 1.315 18.552 ( -0.000 -2.679 3.549) 4.447 18.570 ( -0.000 -1.366 0.085) 1.368 18.783 ( 0.000 4.639 -3.463) 5.789 39.050 ( -0.000 -0.091 0.221) 0.239 39.087 ( -0.000 -0.675 -0.981) 1.191 61.869 ( -0.000 -7.610 -3.380) 8.327 63.375 ( 0.000 36.744 -35.518) 51.105 ======================= Grid point 93 (36/91) ======================= q-point: ( 0.33 0.33 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 7.860 0.000 11.115) 13.613 1.689 ( 4.936 0.000 17.521) 18.203 1.912 ( -1.449 -0.000 16.391) 16.454 2.176 ( 2.744 0.000 2.189) 3.510 2.410 ( 0.987 0.000 15.381) 15.413 2.642 ( 1.374 0.000 17.999) 18.052 2.950 ( 7.036 0.000 9.016) 11.437 3.147 ( 1.955 0.000 8.963) 9.174 3.228 ( -6.935 -0.000 21.563) 22.651 3.434 ( -1.428 -0.000 2.408) 2.799 3.644 ( -6.696 -0.000 9.007) 11.224 3.785 ( -5.106 -0.000 3.788) 6.358 3.844 ( 1.855 0.000 -2.681) 3.260 4.286 ( 8.348 0.000 15.029) 17.192 4.595 ( -11.344 -0.000 1.947) 11.510 5.514 ( -4.580 -0.000 0.658) 4.627 5.715 ( 2.133 0.000 -5.717) 6.102 5.793 ( 1.482 0.000 -1.682) 2.242 6.375 ( -11.808 -0.000 -1.652) 11.923 6.877 ( -5.863 -0.000 0.476) 5.882 7.000 ( 5.172 0.000 -4.913) 7.133 7.328 ( -2.082 -0.000 -2.200) 3.029 7.357 ( 0.508 0.000 -5.956) 5.977 7.562 ( 7.345 0.000 -13.343) 15.231 8.126 ( -9.971 -0.000 -5.634) 11.453 8.415 ( 10.188 0.000 -3.991) 10.942 8.425 ( 3.713 0.000 -4.812) 6.079 8.777 ( 8.759 0.000 8.956) 12.527 10.605 ( -3.078 -0.000 5.309) 6.137 11.954 ( -4.291 -0.000 -1.533) 4.556 12.792 ( -3.469 -0.000 62.102) 62.199 14.791 ( -22.514 -0.000 -0.691) 22.525 15.270 ( 20.146 0.000 -10.993) 22.950 16.137 ( 6.380 0.000 -15.386) 16.656 18.428 ( -0.978 -0.000 2.085) 2.303 18.459 ( 1.247 0.000 3.503) 3.719 18.565 ( -2.154 -0.000 -0.358) 2.184 18.864 ( 2.806 0.000 -4.508) 5.310 39.073 ( 0.292 0.000 -0.901) 0.948 39.093 ( -1.637 -0.000 -0.868) 1.853 61.884 ( -16.463 -0.000 -4.192) 16.988 63.784 ( 24.380 0.000 -32.226) 40.409 ======================= Grid point 94 (37/91) ======================= q-point: (-0.50 0.33 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.760 12.216 8.221) 14.744 1.745 ( 2.269 -4.224 15.112) 15.854 1.870 ( -0.110 6.851 24.136) 25.090 2.254 ( 5.238 -2.265 2.301) 6.153 2.435 ( 0.627 0.020 15.010) 15.024 2.688 ( 2.466 -1.317 17.185) 17.411 2.909 ( -8.491 0.792 23.474) 24.975 3.212 ( 9.920 0.037 3.472) 10.510 3.317 ( 4.053 -5.305 1.985) 6.964 3.412 ( -1.342 -2.156 0.235) 2.550 3.552 ( -1.955 3.007 18.942) 19.279 3.669 ( -7.708 -0.812 0.524) 7.768 3.863 ( -3.468 -5.797 -1.948) 7.030 4.341 ( 2.554 6.510 11.521) 13.478 4.501 ( -2.140 -4.990 9.080) 10.579 5.487 ( -1.801 -5.287 1.456) 5.771 5.717 ( 0.526 3.622 -5.262) 6.410 5.811 ( 0.861 0.407 -2.589) 2.759 6.194 ( -8.231 -0.289 -0.740) 8.270 6.803 ( -2.291 -0.300 0.321) 2.332 7.072 ( 2.850 -1.815 -1.726) 3.794 7.290 ( -2.581 0.459 -2.302) 3.489 7.397 ( 1.345 -4.280 -4.962) 6.689 7.678 ( 5.010 0.799 -19.036) 19.700 7.946 ( -6.908 5.030 -4.984) 9.893 8.434 ( 1.366 3.392 -3.846) 5.307 8.582 ( 5.978 -0.997 -4.578) 7.596 8.897 ( 5.735 2.097 8.118) 10.158 10.564 ( -2.178 -1.410 4.138) 4.884 11.887 ( -3.000 -0.683 -0.364) 3.098 12.814 ( 0.431 -7.326 60.752) 61.193 14.398 ( -14.343 6.780 5.518) 16.797 15.584 ( 11.817 -0.745 -18.505) 21.969 16.229 ( 4.201 0.318 -12.590) 13.276 18.415 ( -0.469 -0.007 1.558) 1.627 18.483 ( 1.314 -0.290 3.856) 4.084 18.538 ( -1.877 -1.161 0.339) 2.233 18.894 ( 1.676 1.637 -4.446) 5.026 39.058 ( -0.965 0.404 -0.080) 1.049 39.082 ( -0.570 -0.628 -1.321) 1.570 61.673 ( -10.789 -5.189 -1.792) 12.106 64.086 ( 14.675 8.097 -36.867) 40.498 ======================= Grid point 95 (38/91) ======================= q-point: (-0.33 0.33 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 18.152 8.450) 20.023 1.686 ( 0.000 15.212 19.431) 24.677 1.865 ( -0.000 -8.668 13.973) 16.443 2.319 ( 0.000 5.799 11.022) 12.454 2.458 ( -0.000 -3.780 17.467) 17.871 2.756 ( -0.000 -2.370 13.765) 13.967 2.777 ( 0.000 0.971 25.860) 25.878 3.354 ( -0.000 -3.345 -0.031) 3.345 3.362 ( 0.000 2.305 9.905) 10.170 3.453 ( -0.000 -1.152 3.480) 3.666 3.510 ( 0.000 2.218 16.003) 16.156 3.563 ( -0.000 -1.545 -2.279) 2.754 3.984 ( -0.000 -18.853 -0.732) 18.867 4.316 ( 0.000 1.619 3.415) 3.780 4.527 ( -0.000 -1.446 13.189) 13.268 5.562 ( -0.000 -7.613 0.087) 7.614 5.654 ( 0.000 6.570 -4.381) 7.896 5.813 ( 0.000 0.226 -3.060) 3.068 6.121 ( -0.000 -0.537 0.100) 0.547 6.802 ( -0.000 -2.228 -1.741) 2.827 7.167 ( -0.000 -6.664 1.883) 6.925 7.228 ( 0.000 3.032 -5.719) 6.473 7.478 ( -0.000 -4.589 -3.522) 5.785 7.711 ( 0.000 0.045 -19.474) 19.474 7.779 ( 0.000 10.241 -4.452) 11.167 8.385 ( 0.000 6.188 -2.677) 6.743 8.642 ( -0.000 -0.307 -4.536) 4.547 8.911 ( 0.000 4.075 6.202) 7.421 10.572 ( -0.000 -2.753 3.443) 4.409 11.878 ( -0.000 -2.011 -0.631) 2.108 12.977 ( -0.000 -16.839 60.786) 63.075 14.163 ( 0.000 9.640 7.973) 12.510 15.673 ( 0.000 2.335 -21.633) 21.758 16.268 ( 0.000 0.007 -11.069) 11.069 18.411 ( -0.000 -0.054 1.357) 1.358 18.510 ( -0.000 -0.929 4.492) 4.587 18.531 ( -0.000 -1.524 0.082) 1.526 18.880 ( 0.000 2.946 -4.218) 5.145 39.048 ( -0.000 -0.072 0.258) 0.268 39.079 ( -0.000 -0.070 -1.373) 1.375 61.655 ( -0.000 -7.944 -1.356) 8.058 64.063 ( 0.000 17.181 -40.264) 43.776 ======================= Grid point 101 (39/91) ======================= q-point: (-0.50 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.000 0.000 16.811) 16.811 1.762 ( -0.000 -0.000 3.475) 3.475 1.947 ( -0.000 -0.000 32.317) 32.317 2.251 ( -0.000 -0.000 0.828) 0.828 2.457 ( -0.000 -0.000 11.416) 11.416 2.738 ( -0.000 -0.000 13.879) 13.879 2.792 ( -0.000 -0.000 25.604) 25.604 3.265 ( -0.000 -0.000 1.361) 1.361 3.373 ( -0.000 -0.000 -0.849) 0.849 3.434 ( 0.000 0.000 4.189) 4.189 3.539 ( -0.000 -0.000 -2.525) 2.525 3.585 ( -0.000 -0.000 18.891) 18.891 3.747 ( -0.000 -0.000 0.544) 0.544 4.405 ( -0.000 -0.000 3.494) 3.494 4.458 ( -0.000 -0.000 17.782) 17.782 5.436 ( -0.000 -0.000 2.676) 2.676 5.742 ( -0.000 -0.000 -5.101) 5.101 5.823 ( -0.000 -0.000 -2.991) 2.991 6.117 ( -0.000 -0.000 -0.239) 0.239 6.779 ( -0.000 -0.000 1.817) 1.817 7.065 ( -0.000 -0.000 1.454) 1.454 7.304 ( -0.000 -0.000 -6.631) 6.631 7.366 ( 0.000 0.000 -5.832) 5.832 7.732 ( -0.000 -0.000 -19.301) 19.301 7.917 ( -0.000 -0.000 -4.409) 4.409 8.468 ( -0.000 -0.000 -4.067) 4.067 8.630 ( -0.000 -0.000 -4.766) 4.766 8.965 ( -0.000 -0.000 8.307) 8.307 10.533 ( -0.000 -0.000 3.609) 3.609 11.852 ( -0.000 -0.000 0.059) 0.059 12.774 ( -0.000 -0.000 59.850) 59.850 14.295 ( -0.000 -0.000 8.008) 8.008 15.703 ( -0.000 -0.000 -21.069) 21.069 16.266 ( -0.000 -0.000 -11.736) 11.736 18.411 ( -0.000 -0.000 1.383) 1.383 18.499 ( -0.000 -0.000 4.640) 4.640 18.509 ( -0.000 -0.000 0.085) 0.085 18.919 ( -0.000 -0.000 -4.580) 4.580 39.047 ( -0.000 -0.000 0.276) 0.276 39.078 ( -0.000 -0.000 -1.367) 1.367 61.544 ( -0.000 -0.000 -0.265) 0.265 64.270 ( -0.000 -0.000 -38.491) 38.491 ======================= Grid point 117 (40/91) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 0.000 27.223) 27.223 1.269 ( 0.000 0.000 24.340) 24.340 2.443 ( 0.000 0.000 14.240) 14.240 2.708 ( 0.000 0.000 33.503) 33.503 2.731 ( 0.000 0.000 15.346) 15.346 3.214 ( 0.000 0.000 21.793) 21.793 3.274 ( 0.000 0.000 9.130) 9.130 3.390 ( 0.000 0.000 2.668) 2.668 3.400 ( 0.000 0.000 -1.044) 1.044 3.579 ( 0.000 0.000 -1.342) 1.342 3.683 ( 0.000 0.000 12.056) 12.056 3.878 ( 0.000 0.000 12.917) 12.917 4.224 ( 0.000 0.000 -7.278) 7.278 4.756 ( 0.000 0.000 -13.988) 13.988 4.877 ( 0.000 0.000 23.408) 23.408 5.229 ( 0.000 0.000 4.836) 4.836 5.693 ( 0.000 0.000 -0.489) 0.489 5.783 ( 0.000 0.000 -8.447) 8.447 6.234 ( 0.000 0.000 2.556) 2.556 6.777 ( 0.000 0.000 -9.730) 9.730 7.123 ( 0.000 0.000 -3.913) 3.913 7.171 ( 0.000 0.000 -5.796) 5.796 7.225 ( 0.000 0.000 -5.420) 5.420 7.371 ( 0.000 0.000 0.081) 0.081 8.160 ( 0.000 0.000 1.003) 1.003 8.187 ( 0.000 0.000 -7.277) 7.277 8.224 ( 0.000 0.000 0.636) 0.636 8.697 ( 0.000 0.000 -4.138) 4.138 10.654 ( 0.000 0.000 -5.651) 5.651 11.905 ( 0.000 0.000 -4.111) 4.111 13.985 ( 0.000 0.000 15.088) 15.088 14.654 ( 0.000 0.000 8.825) 8.825 15.284 ( 0.000 0.000 -4.203) 4.203 16.072 ( 0.000 0.000 -5.972) 5.972 18.442 ( 0.000 0.000 1.484) 1.484 18.591 ( 0.000 0.000 0.100) 0.100 18.642 ( 0.000 0.000 -1.365) 1.365 18.647 ( 0.000 0.000 0.333) 0.333 39.059 ( 0.000 0.000 0.631) 0.631 39.087 ( 0.000 0.000 -0.598) 0.598 61.882 ( 0.000 0.000 -4.734) 4.734 62.451 ( 0.000 0.000 -13.238) 13.238 ======================= Grid point 118 (41/91) ======================= q-point: ( 0.17 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 6.486 -4.323 23.834) 25.076 1.443 ( 11.611 -10.313 19.186) 24.683 2.410 ( -1.418 3.632 14.708) 15.216 2.576 ( -8.702 2.278 26.801) 28.271 2.762 ( -1.598 -4.524 18.109) 18.733 3.148 ( -2.667 3.691 14.068) 14.786 3.330 ( 0.994 1.842 11.115) 11.310 3.364 ( -9.944 -0.492 4.902) 11.098 3.405 ( -0.371 2.822 1.250) 3.108 3.553 ( 8.734 -5.439 8.989) 13.663 3.673 ( -0.550 0.830 10.085) 10.134 3.928 ( 5.519 3.302 6.305) 9.006 4.188 ( -4.613 -1.522 -3.374) 5.914 4.648 ( -3.495 12.528 0.444) 13.014 4.820 ( -4.328 -2.772 12.925) 13.909 5.347 ( 6.000 -5.154 2.243) 8.222 5.691 ( 0.241 0.448 -0.582) 0.773 5.756 ( -1.860 1.448 -7.136) 7.515 6.320 ( 10.723 3.381 1.029) 11.290 6.780 ( 0.975 1.502 -8.875) 9.054 6.981 ( -11.208 -2.128 -1.780) 11.547 7.198 ( -2.688 -2.567 -6.636) 7.606 7.216 ( 0.108 -2.971 -6.841) 7.458 7.562 ( 14.784 -2.102 -0.808) 14.954 7.907 ( -7.101 12.442 -3.148) 14.667 8.170 ( 0.314 0.524 -2.543) 2.616 8.424 ( 1.289 -7.706 -2.769) 8.289 8.688 ( -2.901 -5.216 -0.008) 5.969 10.669 ( 2.212 1.284 -4.865) 5.496 11.916 ( 1.551 0.681 -3.897) 4.249 14.033 ( 0.845 -5.179 20.396) 21.060 14.603 ( 2.402 10.355 12.696) 16.558 15.271 ( -0.468 0.607 -7.564) 7.603 15.971 ( -10.570 -0.638 -6.911) 12.645 18.448 ( 0.721 0.017 1.673) 1.822 18.574 ( -1.410 0.680 1.631) 2.261 18.626 ( 0.653 1.034 -0.690) 1.404 18.673 ( -0.438 -2.430 -1.817) 3.065 39.061 ( 0.187 -0.089 0.537) 0.575 39.085 ( 0.239 0.490 -0.504) 0.742 61.989 ( 13.486 5.623 -7.741) 16.535 62.503 ( -5.142 -15.225 -16.478) 23.016 ======================= Grid point 119 (42/91) ======================= q-point: ( 0.33 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 8.649 -6.516 19.882) 22.640 1.808 ( 12.144 -11.180 10.607) 19.621 2.301 ( -3.171 6.581 16.408) 17.961 2.393 ( -8.468 2.973 22.189) 23.936 2.790 ( -0.896 -2.985 17.505) 17.780 3.052 ( -3.342 3.533 12.341) 13.265 3.097 ( -11.433 0.213 12.318) 16.807 3.346 ( -0.057 -1.098 6.298) 6.393 3.421 ( 3.159 2.118 0.981) 3.928 3.640 ( -1.689 1.249 4.200) 4.696 3.779 ( 6.378 -1.606 3.951) 7.673 3.993 ( 7.321 2.036 8.318) 11.267 4.150 ( -1.738 -3.784 10.838) 11.610 4.401 ( -7.639 8.479 11.374) 16.113 4.792 ( -1.793 -0.045 5.205) 5.505 5.488 ( 3.525 -2.775 0.937) 4.582 5.691 ( 0.981 3.066 -1.506) 3.554 5.700 ( -2.444 -1.197 -4.236) 5.036 6.468 ( 11.591 5.752 -0.888) 12.970 6.763 ( -0.370 1.916 -6.453) 6.742 6.837 ( -8.693 -3.282 -2.411) 9.600 7.175 ( -3.096 -3.092 -7.751) 8.900 7.299 ( 2.218 -6.135 -6.651) 9.317 7.653 ( -5.294 9.934 -4.891) 12.273 7.867 ( 15.698 -1.965 -2.579) 16.030 8.170 ( -0.999 -1.232 -2.787) 3.207 8.394 ( -8.129 -0.192 -5.213) 9.659 8.765 ( 1.009 -6.513 6.221) 9.063 10.686 ( 1.541 1.546 -3.299) 3.956 11.934 ( 1.429 0.832 -3.310) 3.700 14.097 ( -1.856 -4.996 35.492) 35.890 14.530 ( 5.069 10.160 11.892) 16.442 15.271 ( 1.564 0.686 -11.727) 11.851 15.782 ( -11.156 -1.996 -10.639) 15.545 18.467 ( 1.395 -0.015 2.144) 2.558 18.535 ( -1.992 0.396 2.719) 3.394 18.632 ( 0.834 0.494 -1.244) 1.577 18.689 ( -0.567 -1.552 -2.548) 3.036 39.066 ( 0.137 -0.008 0.244) 0.280 39.089 ( 0.594 0.054 -0.663) 0.892 62.126 ( 10.800 7.865 -9.180) 16.211 62.622 ( -4.642 -15.371 -22.645) 27.760 ======================= Grid point 120 (43/91) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 -0.000 17.284) 17.284 2.059 ( 0.000 -0.000 3.096) 3.096 2.179 ( 0.000 0.000 18.166) 18.166 2.255 ( -0.000 0.000 24.525) 24.525 2.799 ( 0.000 0.000 17.651) 17.651 2.958 ( 0.000 -0.000 11.041) 11.041 3.030 ( -0.000 -0.000 13.712) 13.712 3.356 ( 0.000 0.000 5.587) 5.587 3.444 ( 0.000 -0.000 1.198) 1.198 3.606 ( 0.000 -0.000 -0.298) 0.298 3.820 ( 0.000 -0.000 -1.398) 1.398 4.075 ( 0.000 -0.000 14.889) 14.889 4.199 ( 0.000 0.000 19.880) 19.880 4.243 ( -0.000 -0.000 9.293) 9.293 4.766 ( 0.000 -0.000 5.091) 5.091 5.535 ( 0.000 -0.000 0.571) 0.571 5.662 ( 0.000 -0.000 -3.292) 3.292 5.703 ( -0.000 -0.000 -1.539) 1.539 6.546 ( -0.000 -0.000 -1.324) 1.324 6.738 ( 0.000 -0.000 -4.395) 4.395 6.776 ( 0.000 -0.000 -3.953) 3.953 7.168 ( 0.000 -0.000 -8.287) 8.287 7.411 ( 0.000 0.000 -5.437) 5.437 7.492 ( 0.000 -0.000 -7.017) 7.017 8.107 ( 0.000 -0.000 -3.078) 3.078 8.143 ( -0.000 -0.000 -4.122) 4.122 8.260 ( 0.000 -0.000 -3.764) 3.764 8.821 ( 0.000 0.000 7.325) 7.325 10.688 ( 0.000 -0.000 -2.548) 2.548 11.942 ( 0.000 -0.000 -2.916) 2.916 14.104 ( 0.000 -0.000 44.000) 44.000 14.518 ( 0.000 0.000 8.590) 8.590 15.289 ( 0.000 -0.000 -11.714) 11.714 15.685 ( 0.000 -0.000 -13.848) 13.848 18.493 ( -0.000 -0.000 2.567) 2.567 18.501 ( 0.000 -0.000 2.710) 2.710 18.637 ( 0.000 0.000 -1.420) 1.420 18.693 ( -0.000 -0.000 -2.713) 2.713 39.066 ( 0.000 -0.000 0.170) 0.170 39.096 ( 0.000 -0.000 -0.938) 0.938 62.170 ( -0.000 -0.000 -9.180) 9.180 62.682 ( 0.000 -0.000 -24.837) 24.837 ======================= Grid point 125 (44/91) ======================= q-point: ( 0.17 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 9.955 0.000 17.776) 20.374 1.648 ( 16.047 0.000 17.457) 23.712 2.404 ( -2.105 -0.000 14.190) 14.346 2.441 ( -6.924 -0.000 27.072) 27.943 2.720 ( -0.412 -0.000 15.395) 15.401 3.077 ( -13.386 -0.000 10.647) 17.104 3.139 ( -3.638 -0.000 16.703) 17.095 3.311 ( -2.349 -0.000 2.934) 3.758 3.490 ( 2.900 0.000 0.321) 2.918 3.662 ( -1.187 -0.000 4.325) 4.485 3.717 ( 10.602 0.000 13.330) 17.032 4.026 ( 3.167 0.000 6.307) 7.057 4.079 ( -5.919 -0.000 0.644) 5.954 4.547 ( -11.208 -0.000 24.676) 27.103 4.785 ( -0.250 -0.000 -7.564) 7.568 5.447 ( 7.100 0.000 2.187) 7.429 5.681 ( -2.246 -0.000 -3.537) 4.190 5.737 ( -0.488 -0.000 -2.877) 2.918 6.582 ( 14.249 0.000 -1.760) 14.357 6.757 ( -11.802 -0.000 -1.570) 11.906 6.838 ( 4.040 0.000 -11.674) 12.353 7.094 ( -6.030 -0.000 -3.229) 6.840 7.204 ( 0.678 0.000 -6.882) 6.915 7.785 ( -11.379 -0.000 0.494) 11.390 7.827 ( 16.153 0.000 -2.686) 16.375 8.220 ( 1.953 0.000 -7.076) 7.341 8.356 ( -5.885 -0.000 -4.803) 7.597 8.660 ( 5.238 0.000 6.188) 8.107 10.708 ( 0.762 0.000 -3.301) 3.388 11.948 ( 1.223 0.000 -4.197) 4.372 14.000 ( -1.654 -0.000 31.950) 31.993 14.738 ( 5.716 0.000 4.313) 7.161 15.257 ( -2.470 -0.000 -4.590) 5.213 15.750 ( -10.700 -0.000 -9.395) 14.240 18.467 ( 1.372 0.000 2.195) 2.589 18.543 ( -2.347 -0.000 2.544) 3.461 18.615 ( -1.419 -0.000 -1.150) 1.827 18.687 ( 2.378 0.000 -2.520) 3.465 39.063 ( 0.127 0.000 0.446) 0.464 39.092 ( 0.195 0.000 -0.656) 0.684 62.250 ( -10.799 -0.000 -10.731) 15.224 62.379 ( 22.642 0.000 -17.402) 28.557 ======================= Grid point 126 (45/91) ======================= q-point: ( 0.33 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 10.448 -2.247 14.347) 17.890 1.897 ( 7.423 -4.372 12.389) 15.090 2.323 ( -1.633 4.376 20.132) 20.667 2.341 ( -3.863 4.098 16.897) 17.811 2.741 ( 0.093 -3.268 16.074) 16.403 2.924 ( -2.304 -1.124 12.513) 12.773 3.086 ( -0.521 2.476 14.697) 14.914 3.299 ( -1.181 -3.157 4.080) 5.292 3.491 ( -0.845 2.828 1.470) 3.297 3.640 ( 0.674 2.384 -0.015) 2.478 3.817 ( -0.098 -0.701 2.922) 3.007 4.001 ( -4.651 -3.437 10.609) 12.084 4.028 ( -8.198 -5.194 12.727) 16.005 4.441 ( 5.415 5.948 18.499) 20.172 4.760 ( -2.481 -0.391 1.692) 3.028 5.541 ( 3.267 0.302 0.655) 3.346 5.628 ( -3.534 -1.103 -3.520) 5.108 5.741 ( 1.372 1.297 -0.746) 2.030 6.547 ( -10.665 0.182 -1.788) 10.815 6.782 ( 6.501 0.315 -4.131) 7.709 6.857 ( 3.840 8.410 -5.815) 10.921 7.083 ( 0.649 -7.167 -7.315) 10.261 7.251 ( 1.116 -5.288 -7.214) 9.014 7.587 ( -8.955 2.288 -0.649) 9.266 8.109 ( 13.485 -1.459 -4.168) 14.189 8.167 ( -6.386 3.901 -5.579) 9.334 8.272 ( -0.904 -0.543 -5.380) 5.482 8.804 ( 7.905 -0.822 8.397) 11.562 10.693 ( -2.074 0.213 -2.578) 3.316 11.950 ( -0.766 0.384 -3.273) 3.383 13.973 ( -4.233 -4.738 41.493) 41.977 14.773 ( 5.449 12.982 3.941) 14.621 15.182 ( -8.607 -7.445 -4.497) 12.237 15.692 ( 4.092 0.342 -14.861) 15.417 18.495 ( 1.492 0.064 2.767) 3.144 18.502 ( -1.805 0.075 2.513) 3.095 18.597 ( -1.773 -1.507 -0.954) 2.515 18.726 ( 2.701 1.111 -3.176) 4.314 39.065 ( -0.022 -0.104 0.228) 0.251 39.093 ( -0.154 -0.108 -0.680) 0.705 62.064 ( -13.009 -4.577 -8.234) 16.062 62.761 ( 20.873 3.246 -24.714) 32.511 ======================= Grid point 127 (46/91) ======================= q-point: (-0.50 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -1.023 7.440 15.400) 17.134 2.012 ( -0.855 -2.052 7.843) 8.152 2.192 ( -2.796 4.481 16.195) 17.035 2.354 ( 9.105 -0.117 20.360) 22.303 2.785 ( 0.386 -2.847 16.804) 17.048 2.985 ( 3.278 -1.538 14.173) 14.628 3.109 ( 8.024 0.921 10.322) 13.107 3.331 ( -0.530 -2.622 5.160) 5.812 3.418 ( -3.266 1.215 0.920) 3.604 3.619 ( -0.914 0.639 5.074) 5.195 3.782 ( -4.612 -0.139 -0.029) 4.614 3.892 ( -9.404 -6.129 11.051) 15.752 4.042 ( -2.172 -9.136 10.858) 14.356 4.450 ( 2.845 9.543 11.977) 15.576 4.765 ( 2.396 -2.266 11.480) 11.944 5.561 ( 0.793 2.137 -1.089) 2.527 5.602 ( -1.967 -2.805 -1.082) 3.593 5.743 ( 1.033 1.715 -1.719) 2.639 6.367 ( -11.129 -2.234 -1.098) 11.404 6.779 ( 0.202 3.263 -3.752) 4.977 6.908 ( 7.169 2.187 -1.917) 7.736 7.201 ( 5.037 -1.403 -10.879) 12.070 7.369 ( 1.367 -9.264 -8.151) 12.414 7.421 ( -6.850 1.581 -2.229) 7.375 7.939 ( -11.395 4.417 -4.328) 12.965 8.265 ( 2.511 3.858 -4.523) 6.454 8.361 ( 9.771 -2.258 -5.119) 11.259 8.909 ( 6.050 4.294 8.420) 11.222 10.647 ( -3.445 -1.286 -3.370) 4.987 11.920 ( -2.110 -0.203 -2.159) 3.025 13.997 ( -2.262 -9.208 43.642) 44.660 14.597 ( -5.019 12.318 8.695) 15.891 15.197 ( -0.264 -5.133 -11.732) 12.808 15.822 ( 10.149 0.975 -13.360) 16.806 18.468 ( -1.501 0.067 2.058) 2.548 18.527 ( 1.508 -0.257 2.872) 3.254 18.590 ( -1.495 -1.927 -0.427) 2.476 18.750 ( 2.356 2.275 -3.392) 4.715 39.063 ( -0.238 -0.037 0.235) 0.336 39.088 ( -0.761 -0.215 -0.597) 0.990 61.909 ( -13.418 -8.002 -6.098) 16.771 62.993 ( 15.760 11.895 -28.958) 35.049 ======================= Grid point 128 (47/91) ======================= q-point: (-0.33 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -3.406 11.605 18.758) 22.319 1.796 ( -7.479 15.201 10.527) 19.946 2.258 ( 1.779 -7.495 16.356) 18.079 2.546 ( 9.481 -0.159 19.639) 21.808 2.833 ( 2.252 -1.198 18.191) 18.369 3.036 ( 1.115 -2.761 13.458) 13.783 3.299 ( -2.469 -0.782 12.573) 12.837 3.342 ( 12.022 -1.273 8.254) 14.638 3.385 ( 0.504 -0.262 0.058) 0.571 3.579 ( -7.091 -3.787 6.755) 10.500 3.678 ( -4.418 0.383 3.707) 5.780 3.847 ( -3.730 -1.875 8.622) 9.579 4.169 ( 1.799 -11.595 4.275) 12.488 4.358 ( -2.722 1.501 3.214) 4.471 4.849 ( 3.835 -0.547 17.008) 17.443 5.501 ( -1.505 5.886 -2.161) 6.448 5.635 ( -0.232 -4.110 -0.322) 4.129 5.742 ( 0.973 0.904 -3.108) 3.380 6.225 ( -8.201 -2.999 0.514) 8.747 6.760 ( 0.159 0.609 -3.927) 3.978 7.023 ( 8.090 0.907 -1.952) 8.372 7.271 ( 3.404 2.437 -11.269) 12.022 7.302 ( -3.757 1.529 -4.099) 5.766 7.538 ( 0.914 -13.807 -7.143) 15.572 7.669 ( -10.721 6.823 -2.569) 12.966 8.243 ( 1.431 4.703 -3.107) 5.816 8.505 ( 4.368 -0.196 -5.362) 6.918 8.906 ( 3.639 9.393 6.112) 11.783 10.616 ( -2.724 -2.641 -4.895) 6.193 11.892 ( -1.690 -0.954 -2.066) 2.834 14.125 ( 2.735 -8.727 36.822) 37.941 14.361 ( -8.088 4.064 13.457) 16.218 15.250 ( 1.567 -0.690 -14.669) 14.768 15.985 ( 8.192 0.136 -10.085) 12.994 18.447 ( -0.773 -0.024 1.656) 1.828 18.552 ( 0.452 -1.049 1.459) 1.853 18.593 ( -0.446 -1.298 1.121) 1.772 18.750 ( 1.435 3.108 -3.291) 4.749 39.060 ( -0.238 -0.174 0.451) 0.538 39.074 ( -0.746 -0.189 -0.268) 0.815 61.803 ( -9.740 -8.160 -4.269) 13.404 63.003 ( 8.073 19.958 -29.595) 36.597 ======================= Grid point 129 (48/91) ======================= q-point: (-0.17 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 10.602 22.288) 24.681 1.511 ( 0.000 16.054 16.970) 23.361 2.362 ( -0.000 -6.141 15.297) 16.484 2.636 ( -0.000 -0.873 20.873) 20.891 2.857 ( 0.000 3.726 22.621) 22.926 3.116 ( -0.000 -7.154 9.023) 11.515 3.230 ( 0.000 1.118 21.499) 21.528 3.389 ( -0.000 -0.723 -0.232) 0.760 3.495 ( 0.000 2.926 2.679) 3.967 3.564 ( -0.000 -1.156 -1.440) 1.847 3.643 ( -0.000 -3.949 12.667) 13.268 3.812 ( -0.000 -1.831 14.025) 14.144 4.262 ( 0.000 3.056 -1.999) 3.652 4.444 ( -0.000 -19.466 -7.320) 20.796 4.891 ( 0.000 0.398 21.328) 21.332 5.388 ( 0.000 8.287 -1.035) 8.352 5.673 ( -0.000 -2.134 -0.489) 2.189 5.755 ( -0.000 -1.096 -5.573) 5.679 6.182 ( -0.000 -2.984 1.809) 3.489 6.761 ( -0.000 -0.541 -6.264) 6.287 7.124 ( -0.000 -0.242 -2.407) 2.419 7.247 ( 0.000 2.159 -5.708) 6.102 7.265 ( 0.000 3.318 -10.109) 10.640 7.449 ( 0.000 7.151 0.312) 7.158 7.747 ( -0.000 -17.313 -6.133) 18.367 8.204 ( 0.000 3.541 -1.206) 3.740 8.510 ( 0.000 5.085 -3.964) 6.447 8.815 ( 0.000 9.565 1.323) 9.656 10.622 ( -0.000 -2.383 -5.659) 6.140 11.889 ( -0.000 -1.056 -2.871) 3.059 14.120 ( 0.000 9.722 14.668) 17.597 14.400 ( -0.000 -17.046 26.372) 31.402 15.269 ( -0.000 -0.494 -12.102) 12.112 16.068 ( -0.000 -0.389 -8.066) 8.075 18.441 ( -0.000 -0.048 1.486) 1.487 18.572 ( -0.000 -1.371 0.096) 1.374 18.603 ( -0.000 -1.045 1.856) 2.130 18.721 ( 0.000 3.456 -2.734) 4.407 39.058 ( -0.000 -0.060 0.654) 0.657 39.074 ( -0.000 -0.688 -0.257) 0.735 61.798 ( -0.000 -6.120 -3.673) 7.137 62.797 ( 0.000 22.401 -24.507) 33.202 ======================= Grid point 132 (49/91) ======================= q-point: ( 0.33 0.33 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 10.609 0.000 10.954) 15.249 1.929 ( -0.534 -0.000 11.517) 11.530 2.312 ( -2.748 -0.000 11.438) 11.763 2.354 ( 2.690 0.000 22.358) 22.520 2.727 ( 1.013 0.000 15.809) 15.842 2.969 ( 4.584 0.000 14.793) 15.487 3.126 ( 5.212 0.000 10.923) 12.103 3.260 ( -0.258 -0.000 3.572) 3.582 3.455 ( -4.051 -0.000 -0.100) 4.052 3.706 ( -13.656 -0.000 22.208) 26.071 3.720 ( 3.834 0.000 -3.081) 4.919 3.797 ( -7.240 -0.000 0.379) 7.250 3.900 ( -4.526 -0.000 7.329) 8.614 4.636 ( 9.554 0.000 17.597) 20.023 4.693 ( -3.973 -0.000 8.788) 9.644 5.544 ( -2.448 -0.000 2.373) 3.409 5.609 ( 1.490 0.000 -4.488) 4.729 5.768 ( 0.725 0.000 -0.497) 0.879 6.342 ( -11.083 -0.000 -1.499) 11.184 6.892 ( 5.579 0.000 -6.158) 8.310 6.899 ( -3.992 -0.000 1.923) 4.431 7.148 ( 9.697 0.000 -11.497) 15.040 7.230 ( 0.666 0.000 -6.642) 6.675 7.449 ( -7.824 -0.000 -2.251) 8.141 8.019 ( -9.621 -0.000 -5.139) 10.908 8.310 ( 3.696 0.000 -6.738) 7.685 8.324 ( 9.810 0.000 -5.147) 11.078 8.964 ( 9.136 0.000 9.940) 13.501 10.630 ( -4.587 -0.000 -3.437) 5.732 11.920 ( -2.599 -0.000 -1.893) 3.216 13.866 ( -3.749 -0.000 44.694) 44.851 14.842 ( -15.628 -0.000 6.241) 16.829 15.067 ( 11.265 0.000 -9.169) 14.525 15.833 ( 9.260 0.000 -14.487) 17.194 18.469 ( -1.609 -0.000 2.025) 2.587 18.523 ( 0.951 0.000 2.529) 2.702 18.563 ( -0.667 -0.000 0.430) 0.794 18.780 ( 2.469 0.000 -3.854) 4.577 39.065 ( -0.022 -0.000 0.094) 0.096 39.082 ( -0.892 -0.000 -0.202) 0.914 61.797 ( -12.740 -0.000 -4.395) 13.477 63.149 ( 18.511 0.000 -30.881) 36.004 ======================= Grid point 133 (50/91) ======================= q-point: (-0.50 0.33 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -1.122 8.442 10.960) 13.880 2.029 ( 5.185 -1.534 11.987) 13.150 2.197 ( -4.263 7.923 11.735) 14.787 2.494 ( 8.643 -5.338 18.775) 21.347 2.759 ( 0.638 -1.930 16.190) 16.317 3.009 ( 0.901 -0.312 15.829) 15.858 3.280 ( 7.650 -0.508 8.596) 11.518 3.295 ( 1.137 -3.137 3.619) 4.922 3.379 ( -1.548 0.980 2.356) 2.984 3.483 ( -9.283 -2.837 14.289) 17.274 3.671 ( -6.538 0.399 0.742) 6.592 3.800 ( 1.365 -3.201 0.043) 3.480 3.865 ( -4.162 -6.241 6.234) 9.753 4.567 ( -1.835 8.813 14.878) 17.390 4.797 ( 4.123 -3.194 16.672) 17.469 5.533 ( -0.622 -2.923 3.290) 4.445 5.612 ( 0.381 2.493 -4.901) 5.512 5.770 ( 0.276 0.787 -1.220) 1.478 6.183 ( -7.103 -0.652 -0.391) 7.144 6.819 ( -0.940 3.495 1.230) 3.823 7.015 ( 6.115 -2.010 -3.485) 7.320 7.242 ( -2.768 -1.867 -4.211) 5.374 7.286 ( 1.170 -5.394 -5.927) 8.099 7.351 ( 0.002 1.306 -12.825) 12.891 7.845 ( -6.478 4.967 -5.059) 9.604 8.338 ( 1.586 2.090 -5.828) 6.391 8.476 ( 5.570 -1.158 -5.959) 8.238 9.077 ( 5.614 3.677 9.992) 12.037 10.560 ( -3.668 -1.393 -5.007) 6.361 11.876 ( -2.096 -0.304 -0.675) 2.222 13.862 ( -1.104 -6.602 43.793) 44.302 14.569 ( -9.162 6.203 11.711) 16.111 15.241 ( 6.386 -0.148 -15.572) 16.832 15.977 ( 6.384 -0.413 -12.080) 13.670 18.447 ( -0.842 0.004 1.641) 1.844 18.524 ( -0.699 -0.842 0.389) 1.161 18.574 ( 0.920 -0.300 3.144) 3.289 18.808 ( 1.477 1.275 -4.113) 4.552 39.060 ( -0.241 0.236 0.319) 0.465 39.069 ( -0.711 -0.326 0.024) 0.783 61.636 ( -8.115 -4.035 -1.817) 9.243 63.362 ( 10.415 7.581 -35.039) 37.332 ======================= Grid point 134 (51/91) ======================= q-point: (-0.33 0.33 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 12.442 13.517) 18.371 1.935 ( 0.000 16.667 9.586) 19.227 2.177 ( -0.000 -7.276 17.102) 18.585 2.643 ( -0.000 -0.887 16.791) 16.814 2.814 ( -0.000 -5.555 16.913) 17.802 3.024 ( -0.000 -0.859 14.589) 14.614 3.259 ( 0.000 1.014 20.685) 20.710 3.358 ( -0.000 -2.412 1.263) 2.723 3.432 ( -0.000 -5.718 0.275) 5.725 3.526 ( -0.000 -1.531 -0.904) 1.777 3.562 ( -0.000 -1.425 9.084) 9.195 3.826 ( 0.000 0.746 8.674) 8.706 3.961 ( -0.000 -16.059 -1.748) 16.154 4.425 ( 0.000 9.902 12.387) 15.858 4.868 ( -0.000 -2.263 17.993) 18.135 5.563 ( 0.000 5.249 -4.404) 6.852 5.579 ( -0.000 -4.442 1.765) 4.780 5.762 ( 0.000 0.976 -1.786) 2.036 6.127 ( -0.000 -1.192 0.560) 1.317 6.778 ( 0.000 2.102 -0.557) 2.175 7.131 ( 0.000 1.208 -4.250) 4.418 7.188 ( -0.000 -5.526 0.186) 5.529 7.351 ( 0.000 2.647 -14.740) 14.976 7.395 ( -0.000 -10.207 -6.823) 12.277 7.688 ( 0.000 9.414 -4.451) 10.413 8.312 ( 0.000 4.071 -4.652) 6.182 8.539 ( -0.000 -0.930 -5.823) 5.897 9.056 ( 0.000 7.623 8.280) 11.255 10.552 ( -0.000 -2.704 -5.751) 6.355 11.864 ( -0.000 -0.807 -0.814) 1.146 13.985 ( -0.000 -13.394 40.788) 42.931 14.386 ( 0.000 9.556 14.225) 17.136 15.283 ( 0.000 1.488 -17.383) 17.447 16.049 ( -0.000 -1.094 -10.469) 10.526 18.440 ( -0.000 -0.035 1.489) 1.490 18.532 ( -0.000 -1.519 0.099) 1.522 18.587 ( -0.000 -0.357 3.322) 3.341 18.798 ( 0.000 2.369 -3.946) 4.603 39.057 ( -0.000 -0.043 0.698) 0.699 39.064 ( -0.000 -0.130 -0.107) 0.168 61.627 ( -0.000 -6.318 -1.431) 6.478 63.309 ( 0.000 15.423 -35.106) 38.345 ======================= Grid point 140 (52/91) ======================= q-point: (-0.50 0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.000 -0.000 8.647) 8.647 2.072 ( -0.000 -0.000 17.986) 17.986 2.250 ( -0.000 -0.000 1.659) 1.659 2.509 ( -0.000 -0.000 22.786) 22.786 2.759 ( -0.000 -0.000 15.864) 15.864 3.017 ( -0.000 -0.000 14.785) 14.785 3.274 ( -0.000 -0.000 21.090) 21.090 3.292 ( -0.000 -0.000 1.366) 1.366 3.353 ( -0.000 -0.000 -0.898) 0.898 3.508 ( -0.000 -0.000 0.526) 0.526 3.542 ( -0.000 -0.000 7.319) 7.319 3.755 ( -0.000 -0.000 0.218) 0.218 3.829 ( -0.000 -0.000 4.785) 4.785 4.610 ( 0.000 0.000 17.824) 17.824 4.811 ( -0.000 -0.000 16.546) 16.546 5.509 ( -0.000 -0.000 4.734) 4.734 5.632 ( -0.000 -0.000 -5.623) 5.623 5.776 ( -0.000 -0.000 -1.345) 1.345 6.115 ( -0.000 -0.000 -0.018) 0.018 6.831 ( -0.000 -0.000 3.588) 3.588 7.081 ( -0.000 -0.000 0.249) 0.249 7.172 ( -0.000 -0.000 -7.189) 7.189 7.243 ( -0.000 -0.000 -6.442) 6.442 7.387 ( -0.000 -0.000 -15.117) 15.117 7.821 ( -0.000 -0.000 -5.163) 5.163 8.367 ( -0.000 -0.000 -6.171) 6.171 8.519 ( -0.000 -0.000 -6.313) 6.313 9.155 ( -0.000 -0.000 10.755) 10.755 10.514 ( -0.000 -0.000 -5.838) 5.838 11.854 ( -0.000 -0.000 0.062) 0.062 13.809 ( -0.000 -0.000 43.511) 43.511 14.518 ( -0.000 -0.000 14.143) 14.143 15.310 ( -0.000 -0.000 -17.989) 17.989 16.030 ( -0.000 -0.000 -11.444) 11.444 18.440 ( -0.000 -0.000 1.490) 1.490 18.511 ( -0.000 -0.000 0.107) 0.107 18.583 ( -0.000 -0.000 3.803) 3.803 18.829 ( -0.000 -0.000 -4.357) 4.357 39.057 ( -0.000 -0.000 0.718) 0.718 39.063 ( -0.000 -0.000 -0.080) 0.080 61.539 ( -0.000 -0.000 -0.245) 0.245 63.506 ( -0.000 -0.000 -37.370) 37.370 ======================= Grid point 156 (53/91) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.000 0.000 24.405) 24.405 1.765 ( 0.000 0.000 25.735) 25.735 2.736 ( 0.000 0.000 15.129) 15.129 3.011 ( 0.000 0.000 12.635) 12.635 3.215 ( 0.000 0.000 18.356) 18.356 3.384 ( 0.000 0.000 -2.476) 2.476 3.385 ( 0.000 0.000 -0.314) 0.314 3.458 ( 0.000 0.000 9.351) 9.351 3.548 ( 0.000 0.000 3.582) 3.582 3.568 ( 0.000 0.000 8.319) 8.319 3.847 ( 0.000 0.000 0.253) 0.253 4.160 ( 0.000 0.000 3.834) 3.834 4.195 ( 0.000 0.000 17.727) 17.727 4.455 ( 0.000 0.000 -16.310) 16.310 5.291 ( 0.000 0.000 17.264) 17.264 5.342 ( 0.000 0.000 6.377) 6.377 5.641 ( 0.000 0.000 -4.051) 4.051 5.689 ( 0.000 0.000 -0.319) 0.319 6.302 ( 0.000 0.000 4.327) 4.327 6.601 ( 0.000 0.000 -7.885) 7.885 7.010 ( 0.000 0.000 -6.480) 6.480 7.049 ( 0.000 0.000 -6.220) 6.220 7.169 ( 0.000 0.000 -1.028) 1.028 7.382 ( 0.000 0.000 0.907) 0.907 8.041 ( 0.000 0.000 -7.325) 7.325 8.157 ( 0.000 0.000 -1.065) 1.065 8.233 ( 0.000 0.000 0.485) 0.485 8.612 ( 0.000 0.000 -4.528) 4.528 10.470 ( 0.000 0.000 -12.159) 12.159 11.827 ( 0.000 0.000 -3.678) 3.678 14.305 ( 0.000 0.000 16.326) 16.326 14.824 ( 0.000 0.000 8.132) 8.132 15.135 ( 0.000 0.000 -9.723) 9.723 16.009 ( 0.000 0.000 -1.246) 1.246 18.470 ( 0.000 0.000 1.331) 1.331 18.593 ( 0.000 0.000 0.084) 0.084 18.615 ( 0.000 0.000 -1.248) 1.248 18.655 ( 0.000 0.000 0.409) 0.409 39.075 ( 0.000 0.000 0.942) 0.942 39.081 ( 0.000 0.000 -0.059) 0.059 61.794 ( 0.000 0.000 -4.025) 4.025 62.200 ( 0.000 0.000 -11.854) 11.854 ======================= Grid point 157 (54/91) ======================= q-point: ( 0.17 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 2.623 -4.914 22.749) 23.421 1.862 ( 8.198 -2.886 22.757) 24.360 2.713 ( -0.968 2.604 15.801) 16.043 2.953 ( -4.314 5.490 13.488) 15.188 3.124 ( -7.200 -4.689 16.169) 18.310 3.328 ( -1.143 4.671 2.531) 5.434 3.387 ( 0.758 1.493 -0.208) 1.687 3.443 ( -3.511 -0.949 5.232) 6.372 3.495 ( -5.894 -0.322 4.083) 7.178 3.726 ( 10.587 -1.570 8.728) 13.810 3.794 ( -4.980 0.676 -0.006) 5.025 4.072 ( 0.048 6.397 5.363) 8.348 4.262 ( -1.409 -9.121 10.132) 13.706 4.478 ( 7.541 7.462 -9.104) 13.980 5.196 ( -9.128 -0.015 17.482) 19.721 5.430 ( 6.705 -1.976 6.222) 9.358 5.636 ( -1.487 -1.397 -3.608) 4.145 5.686 ( 0.322 0.861 -0.321) 0.974 6.362 ( 8.482 3.888 3.115) 9.837 6.622 ( 0.779 -1.515 -6.980) 7.185 6.928 ( -9.178 -2.341 -3.666) 10.157 7.075 ( 0.170 -2.808 -6.433) 7.021 7.108 ( -2.487 0.738 -2.957) 3.934 7.552 ( 12.638 -2.773 -0.203) 12.941 7.821 ( -5.137 16.849 -5.148) 18.351 8.112 ( -3.110 -3.665 -3.153) 5.748 8.362 ( -1.193 -4.106 -3.328) 5.418 8.696 ( 3.407 -9.257 0.555) 9.880 10.496 ( 3.379 1.255 -11.865) 12.400 11.842 ( 1.324 -0.201 -3.524) 3.770 14.392 ( 5.546 -5.108 16.420) 18.069 14.809 ( -0.115 2.042 8.346) 8.593 15.106 ( -0.456 3.119 -9.205) 9.729 15.904 ( -9.741 2.002 -0.568) 9.961 18.480 ( 1.109 0.037 1.491) 1.858 18.593 ( 0.383 0.650 0.394) 0.851 18.613 ( -0.610 -0.489 -0.779) 1.104 18.650 ( -0.945 -0.880 -0.338) 1.335 39.076 ( 0.040 0.045 0.848) 0.850 39.081 ( 0.220 0.138 0.128) 0.290 61.855 ( 8.377 3.442 -5.807) 10.759 62.212 ( -4.254 -7.924 -12.966) 15.780 ======================= Grid point 158 (55/91) ======================= q-point: ( 0.33 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 4.611 -6.910 19.224) 20.942 2.075 ( 9.417 -3.947 16.986) 19.819 2.631 ( -2.591 5.332 17.221) 18.213 2.769 ( -7.043 4.632 15.308) 17.476 3.109 ( -2.187 -4.005 13.976) 14.703 3.245 ( -1.234 4.592 4.289) 6.403 3.291 ( -9.645 0.796 7.637) 12.328 3.392 ( 1.222 0.012 -0.176) 1.234 3.460 ( -0.175 0.136 4.827) 4.832 3.676 ( -5.124 2.116 -0.245) 5.549 3.826 ( 0.840 1.270 3.385) 3.712 4.120 ( 8.685 -0.644 1.888) 8.911 4.357 ( -1.399 -6.985 2.435) 7.528 4.507 ( 7.079 8.323 8.259) 13.696 5.036 ( -8.604 -1.606 15.006) 17.372 5.559 ( 4.264 -1.305 6.289) 7.709 5.624 ( -1.821 -1.442 -2.156) 3.169 5.685 ( 1.282 1.251 0.206) 1.803 6.464 ( 9.354 5.774 0.453) 11.002 6.648 ( 0.080 -1.104 -4.800) 4.926 6.800 ( -9.040 -3.864 -1.603) 9.961 7.052 ( -1.491 0.533 -4.396) 4.673 7.163 ( 1.774 -6.520 -6.965) 9.704 7.543 ( -4.578 13.116 -5.948) 15.112 7.824 ( 13.648 -2.593 -1.733) 14.000 8.108 ( -1.865 -2.222 -3.315) 4.405 8.296 ( -7.613 -0.243 -4.619) 8.909 8.881 ( 3.265 -7.663 5.380) 9.916 10.537 ( 2.858 1.467 -10.970) 11.431 11.869 ( 1.297 -0.133 -3.138) 3.398 14.579 ( 4.703 -7.742 16.180) 18.543 14.772 ( 0.647 4.611 10.481) 11.469 15.082 ( 3.535 2.983 -8.102) 9.329 15.662 ( -13.314 1.895 -1.099) 13.493 18.507 ( 1.953 0.085 1.835) 2.682 18.579 ( -1.435 0.196 1.725) 2.253 18.611 ( 0.137 0.051 -0.902) 0.913 18.648 ( -0.697 -0.990 -1.554) 1.970 39.075 ( 0.026 0.156 0.573) 0.595 39.087 ( 0.355 -0.103 0.400) 0.544 61.956 ( 8.671 5.756 -7.760) 12.982 62.244 ( -5.039 -9.784 -15.793) 19.249 ======================= Grid point 159 (56/91) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.000 -0.000 17.107) 17.107 2.209 ( 0.000 -0.000 12.909) 12.909 2.541 ( 0.000 0.000 18.249) 18.249 2.664 ( 0.000 0.000 17.106) 17.106 3.121 ( 0.000 0.000 14.255) 14.255 3.181 ( 0.000 -0.000 10.358) 10.358 3.202 ( -0.000 -0.000 2.388) 2.388 3.411 ( 0.000 0.000 0.737) 0.737 3.463 ( 0.000 -0.000 3.177) 3.177 3.604 ( 0.000 -0.000 0.194) 0.194 3.817 ( 0.000 -0.000 1.491) 1.491 4.265 ( 0.000 0.000 -5.179) 5.179 4.329 ( -0.000 0.000 5.874) 5.874 4.532 ( -0.000 -0.000 16.189) 16.189 4.968 ( 0.000 -0.000 12.686) 12.686 5.600 ( 0.000 0.000 5.060) 5.060 5.615 ( 0.000 -0.000 -1.195) 1.195 5.694 ( -0.000 -0.000 1.710) 1.710 6.519 ( -0.000 -0.000 -1.330) 1.330 6.654 ( 0.000 0.000 -3.524) 3.524 6.736 ( 0.000 -0.000 -0.614) 0.614 7.036 ( 0.000 -0.000 -4.874) 4.874 7.275 ( 0.000 -0.000 -7.940) 7.940 7.367 ( 0.000 0.000 -5.739) 5.739 8.052 ( 0.000 -0.000 -2.414) 2.414 8.065 ( -0.000 -0.000 -3.627) 3.627 8.181 ( 0.000 0.000 -4.113) 4.113 8.962 ( 0.000 0.000 6.733) 6.733 10.553 ( 0.000 -0.000 -10.406) 10.406 11.882 ( 0.000 -0.000 -2.902) 2.902 14.696 ( 0.000 0.000 8.640) 8.640 14.723 ( 0.000 -0.000 18.087) 18.087 15.133 ( 0.000 -0.000 -4.171) 4.171 15.491 ( 0.000 -0.000 -4.099) 4.099 18.538 ( -0.000 -0.000 1.981) 1.981 18.550 ( 0.000 -0.000 2.169) 2.169 18.613 ( 0.000 0.000 -1.053) 1.053 18.648 ( -0.000 -0.000 -1.839) 1.839 39.074 ( 0.000 -0.000 0.538) 0.538 39.091 ( 0.000 -0.000 0.356) 0.356 61.997 ( -0.000 -0.000 -8.061) 8.061 62.265 ( 0.000 0.000 -17.453) 17.453 ======================= Grid point 164 (57/91) ======================= q-point: ( 0.17 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 5.020 0.000 20.176) 20.791 2.028 ( 11.000 0.000 20.531) 23.292 2.705 ( -1.981 -0.000 15.980) 16.103 2.885 ( -9.264 -0.000 17.791) 20.059 2.995 ( -0.571 -0.000 11.923) 11.937 3.286 ( -10.623 -0.000 9.162) 14.028 3.340 ( -1.153 -0.000 0.886) 1.454 3.414 ( -2.186 -0.000 11.315) 11.524 3.444 ( 1.956 0.000 -4.325) 4.747 3.706 ( -5.119 -0.000 -0.515) 5.145 3.846 ( 3.026 0.000 4.835) 5.704 4.102 ( -2.853 -0.000 -0.441) 2.887 4.222 ( 5.448 0.000 8.174) 9.824 4.673 ( 8.777 0.000 -2.521) 9.132 4.989 ( -11.953 -0.000 19.366) 22.757 5.532 ( 4.267 0.000 5.996) 7.360 5.607 ( -0.584 -0.000 -2.462) 2.530 5.713 ( 2.291 0.000 -0.036) 2.291 6.575 ( 11.015 0.000 0.807) 11.045 6.644 ( 3.044 0.000 -7.744) 8.321 6.721 ( -11.550 -0.000 -1.879) 11.702 7.043 ( -2.345 -0.000 -2.881) 3.715 7.080 ( -0.101 -0.000 -4.549) 4.550 7.759 ( -11.997 -0.000 -2.687) 12.294 7.777 ( 14.133 0.000 -2.299) 14.319 8.077 ( 2.112 0.000 -7.234) 7.536 8.267 ( -7.261 -0.000 -4.088) 8.333 8.770 ( 10.028 0.000 4.831) 11.131 10.558 ( 2.057 0.000 -11.090) 11.279 11.868 ( 1.556 0.000 -3.781) 4.088 14.473 ( 5.927 0.000 17.869) 18.826 14.826 ( 0.835 0.000 4.411) 4.489 15.132 ( 1.861 0.000 -8.606) 8.805 15.694 ( -14.152 -0.000 2.725) 14.412 18.508 ( 2.003 0.000 1.923) 2.777 18.584 ( -1.864 -0.000 1.653) 2.492 18.593 ( -1.159 -0.000 -1.019) 1.543 18.649 ( 1.304 0.000 -1.401) 1.914 39.077 ( 0.037 0.000 0.922) 0.922 39.086 ( 0.196 0.000 -0.021) 0.198 62.048 ( -8.067 -0.000 -9.415) 12.398 62.092 ( 14.475 0.000 -11.894) 18.734 ======================= Grid point 165 (58/91) ======================= q-point: ( 0.33 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 6.475 -4.104 16.114) 17.845 2.183 ( 4.412 -0.750 16.746) 17.333 2.634 ( -3.669 3.729 16.312) 17.130 2.728 ( -4.073 3.813 16.426) 17.347 3.022 ( -0.601 -4.287 11.483) 12.272 3.163 ( -1.905 -0.887 10.532) 10.740 3.298 ( -0.466 3.631 4.507) 5.806 3.391 ( -0.981 -1.110 6.861) 7.019 3.463 ( -0.343 0.146 -2.309) 2.339 3.632 ( -1.631 1.269 -0.283) 2.086 3.838 ( -1.351 1.552 2.048) 2.903 4.091 ( -3.225 -6.815 -0.660) 7.569 4.277 ( -4.950 -3.018 6.465) 8.684 4.727 ( 4.903 9.524 10.939) 15.310 4.914 ( 1.223 -4.517 12.863) 13.688 5.561 ( -0.589 -1.368 0.027) 1.490 5.611 ( 0.252 -0.072 2.377) 2.391 5.752 ( 2.735 2.119 2.845) 4.479 6.515 ( -10.231 0.097 -1.215) 10.303 6.679 ( 2.503 0.221 -6.074) 6.573 6.773 ( 10.159 3.084 -1.766) 10.763 7.010 ( -2.026 -1.926 -1.067) 2.992 7.117 ( 1.153 -4.368 -6.272) 7.729 7.534 ( -8.965 4.696 -4.303) 10.997 8.026 ( 12.167 -1.813 -3.998) 12.934 8.066 ( -5.397 2.759 -4.636) 7.631 8.163 ( -2.473 -2.735 -5.383) 6.525 8.962 ( 9.904 0.024 7.393) 12.359 10.556 ( -2.035 0.141 -10.460) 10.657 11.886 ( 0.364 0.160 -3.086) 3.112 14.556 ( 0.512 -3.790 18.992) 19.373 14.841 ( 2.297 2.638 2.085) 4.072 15.154 ( -1.817 1.064 -0.997) 2.330 15.502 ( -2.614 0.580 -2.007) 3.346 18.542 ( -0.928 0.257 1.936) 2.162 18.547 ( 0.578 -0.159 2.000) 2.088 18.581 ( -1.011 -1.171 -0.570) 1.648 18.675 ( 1.984 0.852 -2.062) 2.986 39.076 ( -0.054 0.116 0.783) 0.793 39.089 ( 0.014 -0.147 0.204) 0.252 61.910 ( -9.683 -3.458 -7.072) 12.479 62.340 ( 14.385 2.901 -17.887) 23.136 ======================= Grid point 166 (59/91) ======================= q-point: (-0.50 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.462 2.375 17.190) 17.359 2.184 ( -2.671 1.737 11.136) 11.583 2.529 ( -1.674 0.247 17.420) 17.502 2.710 ( 4.760 -0.332 14.776) 15.527 3.069 ( -0.318 -4.408 10.691) 11.568 3.237 ( 4.605 -0.011 10.138) 11.135 3.269 ( 4.842 1.268 4.950) 7.039 3.392 ( -1.210 -1.170 1.783) 2.452 3.440 ( -1.466 -0.855 3.550) 3.935 3.639 ( 3.357 -0.051 -0.752) 3.441 3.804 ( -1.315 -0.223 2.645) 2.963 4.080 ( -11.162 -4.190 2.228) 12.129 4.175 ( -8.799 -10.074 4.530) 14.123 4.687 ( 4.275 11.811 12.529) 17.741 5.030 ( 6.326 -2.012 13.380) 14.936 5.564 ( -1.625 -0.873 0.849) 2.030 5.616 ( 0.255 -0.857 2.227) 2.400 5.742 ( 0.911 3.949 2.637) 4.835 6.354 ( -9.828 -2.714 -0.097) 10.197 6.708 ( 2.947 3.117 -3.318) 5.423 6.886 ( 8.032 3.249 -0.734) 8.695 7.023 ( 0.556 -1.623 -6.095) 6.331 7.225 ( 1.580 -8.113 -6.969) 10.812 7.346 ( -5.911 3.526 -4.951) 8.479 7.872 ( -11.094 2.206 -2.470) 11.578 8.165 ( 2.107 1.336 -5.371) 5.922 8.260 ( 8.494 -2.494 -4.929) 10.133 9.073 ( 6.639 6.345 7.910) 12.120 10.498 ( -4.777 -1.329 -10.823) 11.905 11.876 ( -0.938 0.374 -2.166) 2.390 14.609 ( -1.133 -6.806 18.702) 19.935 14.798 ( -1.377 8.153 9.215) 12.381 15.035 ( -6.338 -0.745 -3.229) 7.152 15.622 ( 11.526 -1.196 -6.163) 13.125 18.505 ( -1.936 -0.023 1.673) 2.558 18.561 ( -0.899 -1.299 0.277) 1.604 18.599 ( 1.677 -0.174 1.585) 2.314 18.692 ( 1.804 1.707 -2.407) 3.458 39.073 ( -0.108 0.069 0.715) 0.726 39.088 ( -0.355 -0.095 0.481) 0.606 61.798 ( -9.625 -5.810 -5.062) 12.330 62.495 ( 10.885 8.472 -21.341) 25.411 ======================= Grid point 167 (60/91) ======================= q-point: (-0.33 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -4.508 5.818 20.211) 21.509 2.038 ( -3.672 9.775 14.148) 17.584 2.592 ( 1.251 -6.411 17.222) 18.419 2.850 ( 6.505 -2.584 11.460) 13.428 3.122 ( 0.198 -4.444 10.069) 11.008 3.275 ( 4.334 0.976 9.164) 10.184 3.363 ( -0.538 -0.523 -0.188) 0.774 3.425 ( 3.422 -1.992 4.040) 5.657 3.479 ( 4.517 -2.054 3.277) 5.947 3.739 ( 1.042 -1.535 3.153) 3.658 3.760 ( -2.422 -1.207 7.113) 7.610 3.933 ( -5.686 -4.261 3.608) 7.968 4.184 ( -8.704 -13.481 -3.367) 16.396 4.567 ( 1.432 14.169 14.977) 20.667 5.169 ( 5.843 -2.291 14.237) 15.559 5.498 ( -4.095 2.650 1.892) 5.232 5.644 ( 0.461 -1.698 1.304) 2.190 5.713 ( 1.542 3.706 0.882) 4.110 6.246 ( -7.008 -4.018 1.580) 8.231 6.697 ( 1.215 4.433 -2.386) 5.179 6.995 ( 7.609 1.522 -1.332) 7.873 7.057 ( 1.145 -1.244 -9.089) 9.245 7.200 ( -2.575 4.462 -6.205) 8.065 7.411 ( 1.202 -13.895 -6.093) 15.220 7.643 ( -10.084 3.873 -0.194) 10.804 8.169 ( 1.324 2.176 -4.218) 4.928 8.399 ( 4.337 -0.934 -5.213) 6.845 9.027 ( 2.576 13.602 5.930) 15.061 10.442 ( -4.043 -2.692 -11.828) 12.786 11.851 ( -1.075 0.503 -2.012) 2.336 14.606 ( -4.675 10.468 15.395) 19.195 14.692 ( -0.108 -7.483 16.809) 18.400 15.010 ( -0.362 -2.662 -9.933) 10.290 15.836 ( 8.660 -2.764 -4.765) 10.264 18.478 ( -1.099 -0.062 1.435) 1.808 18.563 ( -0.833 -1.629 0.062) 1.830 18.624 ( 1.142 0.379 1.513) 1.933 18.694 ( 1.155 2.151 -2.247) 3.318 39.072 ( -0.010 -0.123 0.707) 0.717 39.080 ( -0.450 0.011 0.722) 0.851 61.726 ( -6.598 -5.946 -3.454) 9.530 62.504 ( 5.476 12.780 -21.162) 25.321 ======================= Grid point 168 (61/91) ======================= q-point: (-0.17 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 5.067 22.540) 23.103 1.880 ( 0.000 9.148 20.105) 22.089 2.676 ( -0.000 -4.802 16.294) 16.987 2.942 ( -0.000 -3.111 11.629) 12.038 3.188 ( -0.000 -4.565 8.722) 9.844 3.326 ( 0.000 0.255 12.096) 12.098 3.366 ( -0.000 -0.970 -0.365) 1.036 3.517 ( -0.000 -0.377 1.025) 1.092 3.527 ( -0.000 -1.775 0.435) 1.828 3.604 ( 0.000 2.517 11.596) 11.866 3.842 ( -0.000 -0.537 0.692) 0.876 3.990 ( -0.000 -7.568 10.278) 12.764 4.258 ( -0.000 -13.594 -11.387) 17.733 4.412 ( 0.000 12.158 14.985) 19.297 5.261 ( -0.000 -2.491 15.114) 15.318 5.405 ( 0.000 4.035 2.707) 4.859 5.666 ( -0.000 -0.960 0.343) 1.020 5.688 ( 0.000 2.790 -0.478) 2.831 6.230 ( -0.000 -4.297 2.997) 5.239 6.651 ( 0.000 3.771 -4.761) 6.074 7.045 ( 0.000 2.477 -7.289) 7.699 7.115 ( -0.000 -3.562 -2.923) 4.608 7.120 ( 0.000 4.554 -6.716) 8.114 7.471 ( 0.000 5.456 1.720) 5.721 7.627 ( -0.000 -18.069 -6.018) 19.045 8.164 ( 0.000 0.919 -2.672) 2.826 8.426 ( 0.000 2.605 -4.282) 5.012 8.849 ( 0.000 16.435 1.826) 16.536 10.437 ( -0.000 -2.456 -12.217) 12.462 11.834 ( 0.000 0.486 -2.674) 2.718 14.433 ( 0.000 9.238 15.969) 18.448 14.770 ( -0.000 -4.642 12.519) 13.352 15.059 ( -0.000 -4.749 -9.451) 10.577 15.957 ( -0.000 -3.265 -3.373) 4.694 18.469 ( -0.000 -0.057 1.318) 1.319 18.574 ( -0.000 -1.372 0.083) 1.375 18.627 ( 0.000 0.625 0.474) 0.784 18.679 ( 0.000 1.892 -1.330) 2.312 39.075 ( -0.000 -0.030 0.959) 0.960 39.076 ( -0.000 -0.274 0.348) 0.443 61.731 ( -0.000 -4.652 -3.097) 5.589 62.385 ( 0.000 12.765 -17.576) 21.723 ======================= Grid point 171 (62/91) ======================= q-point: ( 0.33 0.33 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 8.253 0.000 12.536) 15.009 2.186 ( -3.005 -0.000 14.539) 14.846 2.588 ( -4.642 -0.000 15.402) 16.086 2.712 ( 0.380 0.000 13.746) 13.752 3.000 ( 0.875 0.000 10.926) 10.961 3.215 ( 7.143 0.000 9.475) 11.866 3.315 ( -0.277 -0.000 2.462) 2.477 3.359 ( -0.764 -0.000 11.720) 11.745 3.427 ( -3.189 -0.000 -2.671) 4.160 3.655 ( 2.561 0.000 -2.424) 3.526 3.811 ( -2.927 -0.000 3.360) 4.456 3.966 ( -4.739 -0.000 -0.807) 4.807 4.061 ( -14.743 -0.000 11.051) 18.425 4.923 ( 6.441 0.000 11.386) 13.081 4.931 ( 5.330 0.000 14.060) 15.037 5.545 ( -0.196 -0.000 -0.912) 0.933 5.608 ( -0.337 -0.000 2.481) 2.504 5.799 ( 0.828 0.000 4.502) 4.578 6.322 ( -10.202 -0.000 -0.420) 10.211 6.759 ( 5.597 0.000 -6.823) 8.825 6.953 ( -1.894 -0.000 3.417) 3.907 6.982 ( 9.438 0.000 -5.118) 10.736 7.103 ( 0.760 0.000 -6.053) 6.100 7.389 ( -9.758 -0.000 -4.066) 10.571 7.928 ( -9.813 -0.000 -4.088) 10.630 8.167 ( 3.547 0.000 -7.553) 8.344 8.219 ( 8.842 0.000 -5.337) 10.328 9.157 ( 10.462 0.000 9.332) 14.019 10.480 ( -5.897 -0.000 -10.762) 12.272 11.882 ( -0.840 -0.000 -1.832) 2.016 14.512 ( -2.045 -0.000 21.433) 21.531 14.918 ( 3.960 0.000 -5.928) 7.129 15.023 ( -10.227 -0.000 10.700) 14.801 15.606 ( 10.276 0.000 -7.587) 12.773 18.505 ( -1.995 -0.000 1.596) 2.554 18.540 ( -1.252 -0.000 -0.107) 1.257 18.598 ( 2.325 0.000 2.417) 3.354 18.715 ( 1.869 0.000 -2.722) 3.302 39.076 ( -0.079 -0.000 0.953) 0.956 39.084 ( -0.338 -0.000 0.404) 0.527 61.717 ( -9.111 -0.000 -3.639) 9.810 62.608 ( 12.581 0.000 -23.505) 26.660 ======================= Grid point 172 (63/91) ======================= q-point: (-0.50 0.33 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -2.991 4.345 13.889) 14.857 2.222 ( 4.706 2.318 9.636) 10.971 2.484 ( -3.934 0.313 15.841) 16.325 2.784 ( 5.167 -3.220 10.081) 11.777 3.030 ( 0.554 -2.067 10.312) 10.531 3.294 ( 1.479 0.834 9.344) 9.497 3.346 ( -0.996 -2.481 4.553) 5.280 3.367 ( 2.487 -0.144 1.966) 3.174 3.412 ( 2.307 -2.583 2.683) 4.380 3.702 ( 3.388 0.273 0.102) 3.400 3.754 ( -4.678 -0.210 8.039) 9.304 3.845 ( -8.558 -3.289 8.732) 12.661 3.915 ( -6.425 -5.562 -0.542) 8.515 4.899 ( 2.965 10.867 15.517) 19.175 5.087 ( 4.100 -4.537 13.588) 14.900 5.540 ( -0.779 0.613 -1.741) 2.003 5.609 ( 0.139 -0.752 3.096) 3.189 5.791 ( 0.197 1.839 4.284) 4.666 6.181 ( -6.336 -1.209 0.299) 6.457 6.830 ( 4.404 5.402 -1.549) 7.140 6.957 ( 1.754 -2.858 -1.216) 3.567 7.089 ( 4.099 2.024 -7.068) 8.418 7.166 ( 2.127 -5.379 -6.142) 8.437 7.229 ( -8.394 -1.512 -3.240) 9.124 7.754 ( -6.786 3.924 -4.032) 8.815 8.209 ( 1.585 0.602 -7.130) 7.329 8.355 ( 4.959 -1.557 -6.093) 8.009 9.278 ( 6.266 5.468 10.014) 13.017 10.384 ( -5.113 -1.451 -11.800) 12.942 11.862 ( -0.978 0.298 -0.692) 1.234 14.510 ( -1.286 -4.868 22.429) 22.987 14.833 ( -5.144 6.032 13.723) 15.849 14.986 ( 1.570 -0.303 -9.987) 10.114 15.781 ( 7.533 -1.381 -7.532) 10.742 18.477 ( -1.114 -0.015 1.376) 1.770 18.526 ( -0.841 -0.927 0.012) 1.252 18.632 ( 1.471 0.195 2.573) 2.970 18.736 ( 1.129 0.953 -3.078) 3.414 39.073 ( -0.050 0.158 0.941) 0.955 39.079 ( -0.398 -0.124 0.812) 0.913 61.604 ( -5.658 -2.965 -1.448) 6.550 62.749 ( 6.923 5.520 -26.656) 28.088 ======================= Grid point 173 (64/91) ======================= q-point: (-0.33 0.33 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 6.518 15.703) 17.002 2.145 ( 0.000 11.055 12.217) 16.476 2.516 ( -0.000 -6.867 16.867) 18.211 2.888 ( -0.000 -2.530 8.171) 8.554 3.069 ( -0.000 -3.709 9.393) 10.099 3.323 ( -0.000 -1.081 12.755) 12.801 3.348 ( -0.000 -0.973 0.004) 0.973 3.427 ( -0.000 -4.794 0.724) 4.848 3.468 ( -0.000 -2.359 -0.015) 2.359 3.667 ( 0.000 2.053 12.722) 12.886 3.789 ( -0.000 -3.927 11.801) 12.437 3.852 ( -0.000 -2.182 -1.543) 2.673 3.908 ( -0.000 -11.786 -3.677) 12.347 4.764 ( 0.000 14.229 17.520) 22.570 5.178 ( -0.000 -3.896 13.701) 14.244 5.501 ( 0.000 3.099 -1.487) 3.437 5.627 ( -0.000 -1.543 2.318) 2.785 5.769 ( 0.000 2.569 3.549) 4.382 6.143 ( -0.000 -2.228 1.034) 2.456 6.783 ( 0.000 6.578 1.084) 6.666 7.030 ( -0.000 -2.691 -8.392) 8.813 7.108 ( 0.000 1.872 -6.520) 6.784 7.172 ( -0.000 -2.135 -1.918) 2.870 7.275 ( -0.000 -9.246 -6.151) 11.105 7.618 ( 0.000 6.352 -2.306) 6.758 8.206 ( 0.000 1.833 -5.946) 6.223 8.421 ( -0.000 -1.760 -5.905) 6.162 9.225 ( 0.000 11.559 8.527) 14.364 10.364 ( -0.000 -2.857 -12.379) 12.705 11.848 ( 0.000 0.511 -0.818) 0.965 14.586 ( -0.000 -8.381 21.094) 22.698 14.689 ( 0.000 9.323 15.471) 18.063 14.996 ( 0.000 0.094 -11.764) 11.765 15.878 ( -0.000 -2.741 -6.670) 7.211 18.468 ( -0.000 -0.048 1.287) 1.288 18.534 ( -0.000 -1.507 0.093) 1.510 18.641 ( 0.000 0.444 2.199) 2.244 18.730 ( 0.000 1.721 -2.916) 3.386 39.073 ( 0.000 0.026 0.847) 0.847 39.074 ( -0.000 -0.017 0.990) 0.991 61.601 ( -0.000 -4.754 -1.164) 4.895 62.707 ( 0.000 10.662 -25.816) 27.931 ======================= Grid point 179 (65/91) ======================= q-point: (-0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -0.000 -0.000 11.814) 11.814 2.336 ( -0.000 -0.000 6.913) 6.913 2.411 ( -0.000 -0.000 16.074) 16.074 2.803 ( -0.000 -0.000 8.024) 8.024 3.025 ( -0.000 -0.000 10.162) 10.162 3.316 ( -0.000 -0.000 0.987) 0.987 3.317 ( -0.000 -0.000 14.388) 14.388 3.351 ( 0.000 0.000 1.285) 1.285 3.444 ( -0.000 -0.000 0.585) 0.585 3.696 ( -0.000 -0.000 13.328) 13.328 3.731 ( -0.000 -0.000 11.605) 11.605 3.751 ( -0.000 -0.000 -0.657) 0.657 3.830 ( -0.000 -0.000 -2.931) 2.931 5.029 ( 0.000 0.000 22.392) 22.392 5.062 ( -0.000 -0.000 8.573) 8.573 5.542 ( -0.000 -0.000 -3.017) 3.017 5.604 ( -0.000 -0.000 3.768) 3.768 5.800 ( -0.000 -0.000 4.806) 4.806 6.117 ( -0.000 -0.000 0.217) 0.217 6.921 ( -0.000 -0.000 5.501) 5.501 6.994 ( -0.000 -0.000 -10.529) 10.529 7.079 ( -0.000 -0.000 -0.337) 0.337 7.118 ( -0.000 -0.000 -6.136) 6.136 7.176 ( -0.000 -0.000 -6.377) 6.377 7.721 ( -0.000 -0.000 -4.872) 4.872 8.229 ( -0.000 -0.000 -7.710) 7.710 8.390 ( -0.000 -0.000 -6.593) 6.593 9.375 ( -0.000 -0.000 11.224) 11.224 10.323 ( -0.000 -0.000 -12.473) 12.473 11.855 ( -0.000 -0.000 0.048) 0.048 14.464 ( -0.000 -0.000 23.584) 23.584 14.818 ( -0.000 -0.000 15.311) 15.311 15.010 ( -0.000 -0.000 -12.454) 12.454 15.839 ( -0.000 -0.000 -7.764) 7.764 18.467 ( -0.000 -0.000 1.268) 1.268 18.513 ( -0.000 -0.000 0.105) 0.105 18.647 ( -0.000 -0.000 2.740) 2.740 18.752 ( -0.000 -0.000 -3.345) 3.345 39.074 ( -0.000 -0.000 1.004) 1.004 39.074 ( -0.000 -0.000 1.003) 1.003 61.535 ( -0.000 -0.000 -0.158) 0.158 62.848 ( -0.000 -0.000 -28.757) 28.757 ======================= Grid point 195 (66/91) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.000 0.000 22.902) 22.902 2.228 ( 0.000 0.000 20.480) 20.480 3.019 ( 0.000 0.000 12.797) 12.797 3.191 ( 0.000 0.000 2.189) 2.189 3.309 ( 0.000 0.000 -2.347) 2.347 3.400 ( 0.000 0.000 2.477) 2.477 3.480 ( 0.000 0.000 9.815) 9.815 3.543 ( 0.000 0.000 -0.063) 0.063 3.624 ( 0.000 0.000 7.068) 7.068 3.717 ( 0.000 0.000 3.209) 3.209 3.760 ( 0.000 0.000 -5.385) 5.385 4.127 ( 0.000 0.000 -16.760) 16.760 4.304 ( 0.000 0.000 7.468) 7.468 4.474 ( 0.000 0.000 8.544) 8.544 5.463 ( 0.000 0.000 5.458) 5.458 5.505 ( 0.000 0.000 6.574) 6.574 5.685 ( 0.000 0.000 3.463) 3.463 5.688 ( 0.000 0.000 3.474) 3.474 6.396 ( 0.000 0.000 4.893) 4.893 6.474 ( 0.000 0.000 -4.988) 4.988 6.900 ( 0.000 0.000 -4.320) 4.320 6.939 ( 0.000 0.000 -4.675) 4.675 7.162 ( 0.000 0.000 0.094) 0.094 7.401 ( 0.000 0.000 0.883) 0.883 7.910 ( 0.000 0.000 -5.685) 5.685 8.129 ( 0.000 0.000 -1.574) 1.574 8.250 ( 0.000 0.000 1.423) 1.423 8.520 ( 0.000 0.000 -4.766) 4.766 10.222 ( 0.000 0.000 -11.815) 11.815 11.765 ( 0.000 0.000 -2.508) 2.508 14.589 ( 0.000 0.000 11.789) 11.789 14.949 ( 0.000 0.000 -8.191) 8.191 14.963 ( 0.000 0.000 5.682) 5.682 15.996 ( 0.000 0.000 -0.436) 0.436 18.493 ( 0.000 0.000 0.910) 0.910 18.594 ( 0.000 0.000 0.053) 0.053 18.594 ( 0.000 0.000 -0.864) 0.864 18.663 ( 0.000 0.000 0.376) 0.376 39.083 ( 0.000 0.000 0.238) 0.238 39.094 ( 0.000 0.000 0.853) 0.853 61.728 ( 0.000 0.000 -2.620) 2.620 62.001 ( 0.000 0.000 -8.074) 8.074 ======================= Grid point 196 (67/91) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.648 -2.726 21.399) 21.582 2.291 ( 6.282 -0.732 19.603) 20.598 3.013 ( -0.269 1.084 13.712) 13.758 3.140 ( -2.480 4.944 4.082) 6.874 3.287 ( -1.843 3.543 -3.977) 5.636 3.369 ( -7.198 -3.088 8.924) 11.874 3.386 ( -0.345 1.425 1.827) 2.342 3.508 ( -3.881 0.463 0.807) 3.991 3.604 ( -0.647 1.088 6.343) 6.468 3.728 ( -3.174 0.433 -4.099) 5.202 3.862 ( 9.790 -1.150 3.828) 10.574 4.043 ( -3.751 3.122 -9.996) 11.123 4.344 ( -0.538 4.653 2.574) 5.345 4.501 ( 4.449 -7.789 6.004) 10.794 5.451 ( -5.727 0.825 8.876) 10.595 5.552 ( 6.067 -0.106 4.771) 7.719 5.659 ( -2.654 -3.496 5.777) 7.255 5.684 ( 0.471 0.631 0.123) 0.796 6.434 ( 6.774 5.020 3.680) 9.199 6.512 ( 1.292 -3.692 -3.892) 5.518 6.855 ( -5.671 -1.684 -3.179) 6.716 6.959 ( 0.499 -2.551 -4.924) 5.568 7.083 ( -3.704 2.381 -0.181) 4.407 7.553 ( 10.724 -3.562 0.224) 11.302 7.721 ( -4.277 18.192 -4.641) 19.256 8.053 ( -5.321 -5.413 -2.665) 8.045 8.303 ( -2.958 -1.787 -2.448) 4.235 8.703 ( 8.107 -12.324 0.126) 14.752 10.250 ( 3.741 1.249 -11.800) 12.442 11.782 ( 1.144 -0.847 -2.409) 2.799 14.669 ( 4.983 -4.717 11.247) 13.175 14.913 ( -0.048 2.825 -2.940) 4.078 14.961 ( -1.693 -0.295 0.423) 1.770 15.910 ( -6.891 3.385 0.601) 7.701 18.505 ( 1.405 0.065 1.016) 1.735 18.595 ( 0.245 0.268 -0.312) 0.479 18.597 ( -0.117 -0.572 -0.522) 0.784 18.654 ( -1.250 -0.396 0.414) 1.375 39.085 ( 0.126 -0.003 0.332) 0.355 39.095 ( 0.111 -0.063 0.847) 0.856 61.762 ( 5.139 2.321 -3.575) 6.676 62.000 ( -3.186 -4.371 -8.412) 10.001 ======================= Grid point 197 (68/91) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 1.526 -4.072 17.272) 17.811 2.441 ( 8.214 -1.258 18.293) 20.092 2.952 ( -3.791 5.416 13.396) 14.939 3.012 ( -2.670 3.061 10.487) 11.246 3.186 ( -3.154 2.104 -5.638) 6.794 3.350 ( -0.656 -0.304 8.381) 8.412 3.372 ( -0.435 -0.093 0.539) 0.698 3.409 ( -5.344 -0.338 2.593) 5.950 3.581 ( -0.460 0.902 5.731) 5.820 3.654 ( -3.274 1.344 -1.483) 3.838 3.914 ( -3.026 2.413 2.553) 4.637 4.048 ( 5.552 -1.714 -5.844) 8.241 4.295 ( 0.623 1.477 -5.965) 6.176 4.710 ( 8.435 -3.904 9.131) 13.030 5.292 ( -9.483 0.338 10.571) 14.206 5.603 ( 0.295 -1.204 0.211) 1.257 5.660 ( -1.172 -0.190 1.204) 1.691 5.757 ( 5.326 -1.078 7.735) 9.453 6.482 ( 6.407 6.174 1.142) 8.971 6.581 ( 0.557 -3.628 -1.959) 4.160 6.776 ( -6.403 -3.833 -0.690) 7.494 6.998 ( -0.546 1.280 -1.782) 2.261 7.038 ( 1.309 -3.489 -5.071) 6.293 7.433 ( -4.600 13.599 -4.948) 15.184 7.799 ( 11.557 -3.381 -0.823) 12.069 8.046 ( -2.049 -2.825 -2.764) 4.452 8.218 ( -7.267 -0.024 -3.209) 7.944 8.970 ( 5.174 -9.014 3.515) 10.972 10.302 ( 3.522 1.348 -11.511) 12.113 11.816 ( 1.166 -0.848 -2.150) 2.589 14.798 ( 1.243 -2.684 5.323) 6.090 14.904 ( -2.553 0.615 3.029) 4.009 14.968 ( 7.960 -1.871 -1.155) 8.258 15.697 ( -10.208 5.051 2.925) 11.759 18.537 ( 2.319 0.203 1.222) 2.629 18.596 ( 0.320 0.379 -0.477) 0.688 18.600 ( -0.704 -0.684 0.055) 0.983 18.632 ( -1.658 -0.521 0.034) 1.739 39.086 ( 0.046 0.085 0.525) 0.534 39.100 ( 0.229 -0.190 0.766) 0.822 61.829 ( 6.381 4.106 -5.033) 9.106 61.998 ( -4.532 -6.062 -9.335) 12.018 ======================= Grid point 198 (69/91) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 -0.000 14.033) 14.033 2.541 ( 0.000 -0.000 18.032) 18.032 2.851 ( 0.000 0.000 11.556) 11.556 2.973 ( 0.000 0.000 16.069) 16.069 3.143 ( 0.000 -0.000 -6.946) 6.946 3.314 ( 0.000 -0.000 4.106) 4.106 3.357 ( 0.000 -0.000 8.649) 8.649 3.401 ( 0.000 0.000 -0.398) 0.398 3.571 ( 0.000 0.000 5.430) 5.430 3.609 ( 0.000 -0.000 0.119) 0.119 3.868 ( 0.000 -0.000 1.788) 1.788 4.115 ( 0.000 -0.000 -8.133) 8.133 4.298 ( -0.000 0.000 -6.570) 6.570 4.828 ( 0.000 -0.000 12.625) 12.625 5.185 ( 0.000 -0.000 8.562) 8.562 5.617 ( 0.000 0.000 1.150) 1.150 5.644 ( -0.000 0.000 0.376) 0.376 5.815 ( -0.000 -0.000 8.060) 8.060 6.499 ( 0.000 -0.000 -0.556) 0.556 6.609 ( 0.000 0.000 -0.936) 0.936 6.743 ( 0.000 -0.000 1.074) 1.074 6.975 ( 0.000 -0.000 -1.547) 1.547 7.117 ( 0.000 0.000 -7.568) 7.568 7.270 ( 0.000 0.000 -3.994) 3.994 8.005 ( 0.000 -0.000 -2.443) 2.443 8.016 ( -0.000 -0.000 -1.201) 1.201 8.104 ( -0.000 0.000 -3.514) 3.514 9.076 ( 0.000 0.000 4.623) 4.623 10.326 ( 0.000 -0.000 -11.242) 11.242 11.833 ( 0.000 -0.000 -1.988) 1.988 14.825 ( 0.000 0.000 3.990) 3.990 14.858 ( 0.000 -0.000 -0.492) 0.492 15.117 ( -0.000 -0.000 1.931) 1.931 15.526 ( 0.000 -0.000 5.004) 5.004 18.570 ( -0.000 -0.000 1.227) 1.227 18.585 ( 0.000 0.000 1.312) 1.312 18.596 ( -0.000 -0.000 -0.635) 0.635 18.621 ( -0.000 -0.000 -0.952) 0.952 39.085 ( 0.000 0.000 0.586) 0.586 39.104 ( 0.000 -0.000 0.733) 0.733 61.863 ( -0.000 -0.000 -5.404) 5.404 61.995 ( 0.000 0.000 -10.060) 10.060 ======================= Grid point 203 (70/91) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 1.558 0.000 20.242) 20.302 2.424 ( 8.280 0.000 18.665) 20.419 3.007 ( -1.520 -0.000 12.752) 12.843 3.145 ( -1.851 -0.000 1.997) 2.723 3.149 ( -9.737 -0.000 9.282) 13.453 3.339 ( 1.628 0.000 -2.760) 3.204 3.384 ( -0.690 -0.000 2.609) 2.699 3.403 ( -7.635 -0.000 3.256) 8.300 3.595 ( -1.074 -0.000 7.176) 7.256 3.673 ( -3.096 -0.000 -2.020) 3.697 3.960 ( 1.062 0.000 5.874) 5.970 4.003 ( -2.895 -0.000 -9.131) 9.579 4.279 ( -1.351 -0.000 -1.739) 2.202 4.694 ( 14.981 0.000 3.281) 15.336 5.293 ( -11.036 -0.000 11.531) 15.961 5.570 ( -0.715 -0.000 0.237) 0.753 5.651 ( 0.021 0.000 2.208) 2.208 5.766 ( 7.653 0.000 6.184) 9.839 6.521 ( 2.568 0.000 -4.035) 4.783 6.623 ( 9.156 0.000 2.838) 9.586 6.691 ( -10.120 -0.000 -1.028) 10.172 6.952 ( 0.558 0.000 -4.610) 4.644 7.057 ( -1.074 -0.000 0.400) 1.146 7.695 ( -13.487 -0.000 -3.392) 13.907 7.740 ( 12.232 0.000 -1.338) 12.305 7.945 ( 2.021 0.000 -5.822) 6.163 8.200 ( -7.530 -0.000 -2.720) 8.006 8.846 ( 13.694 0.000 2.866) 13.991 10.322 ( 2.779 0.000 -11.496) 11.827 11.804 ( 1.762 0.000 -2.600) 3.141 14.741 ( 4.733 0.000 9.416) 10.539 14.904 ( -2.678 -0.000 3.276) 4.231 14.969 ( 4.381 0.000 -6.542) 7.874 15.772 ( -10.629 -0.000 3.783) 11.282 18.540 ( 2.438 0.000 1.299) 2.762 18.576 ( -0.921 -0.000 -0.691) 1.152 18.608 ( -0.806 -0.000 0.759) 1.107 18.630 ( -0.111 -0.000 -0.499) 0.511 39.089 ( 0.257 0.000 0.273) 0.375 39.095 ( 0.073 0.000 0.902) 0.905 61.891 ( -5.785 -0.000 -6.322) 8.569 61.907 ( 8.947 0.000 -6.950) 11.329 ======================= Grid point 204 (71/91) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 2.919 -2.772 16.742) 17.219 2.530 ( 1.787 -0.462 17.392) 17.490 2.928 ( -5.469 4.248 11.125) 13.105 2.991 ( -3.724 1.093 10.630) 11.316 3.134 ( -1.784 -1.487 -0.047) 2.323 3.303 ( -2.179 -0.856 3.797) 4.460 3.371 ( 0.419 1.253 4.797) 4.976 3.374 ( 0.883 -1.430 -1.882) 2.523 3.574 ( -0.984 0.162 6.888) 6.960 3.627 ( -1.287 0.788 -0.301) 1.539 3.898 ( -2.107 2.648 1.335) 3.638 4.012 ( -2.243 -5.838 -4.459) 7.681 4.276 ( -2.878 -1.201 -4.844) 5.761 4.920 ( 11.252 4.757 8.381) 14.814 5.151 ( -3.413 -2.189 9.829) 10.633 5.574 ( -0.304 -1.640 1.462) 2.217 5.643 ( -0.610 -0.132 0.571) 0.846 5.865 ( 4.253 2.033 7.134) 8.551 6.503 ( -8.999 0.407 -0.075) 9.009 6.587 ( 2.884 -1.496 -2.942) 4.383 6.769 ( 7.896 1.712 0.867) 8.126 6.981 ( 0.605 -2.452 -3.668) 4.453 7.040 ( -0.018 0.843 -0.054) 0.845 7.438 ( -9.250 6.124 -4.978) 12.160 7.958 ( 9.930 -2.478 -2.786) 10.607 7.984 ( -1.911 -0.070 -3.689) 4.155 8.071 ( -5.854 -2.996 -3.737) 7.564 9.085 ( 11.925 0.452 4.892) 12.898 10.331 ( -1.624 0.227 -10.979) 11.100 11.833 ( 1.196 -0.012 -2.159) 2.469 14.788 ( 0.370 -1.644 5.748) 5.990 14.859 ( -2.339 -0.002 0.259) 2.353 15.106 ( 8.327 -0.429 -1.632) 8.496 15.579 ( -7.462 2.379 5.987) 9.858 18.561 ( -1.136 -0.870 -0.283) 1.459 18.572 ( -1.831 0.087 1.110) 2.143 18.591 ( 2.189 -0.139 1.306) 2.553 18.643 ( 1.407 0.740 -1.150) 1.962 39.090 ( 0.109 0.306 0.545) 0.634 39.100 ( 0.082 -0.295 0.788) 0.845 61.793 ( -6.920 -2.532 -4.679) 8.729 62.060 ( 9.359 2.325 -10.569) 14.308 ======================= Grid point 205 (72/91) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 1.853 0.135 13.634) 13.760 2.469 ( -7.305 0.874 16.184) 17.778 2.830 ( -1.138 -1.842 11.205) 11.413 2.963 ( -0.115 -1.786 12.354) 12.483 3.134 ( 0.245 -1.261 -3.260) 3.504 3.351 ( 3.337 -0.983 1.916) 3.972 3.368 ( 0.745 0.369 5.318) 5.382 3.402 ( 1.289 -1.150 1.193) 2.099 3.563 ( -0.458 -0.483 6.332) 6.367 3.628 ( 2.297 -0.279 -0.366) 2.343 3.869 ( 0.298 -0.684 0.872) 1.148 4.027 ( -4.643 -4.062 -2.813) 6.780 4.191 ( -8.377 -4.010 -3.384) 9.885 4.914 ( 2.152 10.182 9.746) 14.259 5.263 ( 8.339 -2.271 9.865) 13.115 5.586 ( -1.434 -1.940 1.344) 2.761 5.643 ( 0.267 -0.606 0.515) 0.839 5.859 ( 0.486 4.970 7.511) 9.020 6.362 ( -8.546 -3.002 0.816) 9.094 6.657 ( 4.076 0.980 -1.612) 4.492 6.869 ( 7.158 3.383 -0.815) 7.959 6.969 ( -1.418 1.718 -0.225) 2.239 7.094 ( 1.560 -5.381 -6.082) 8.269 7.245 ( -5.114 3.107 -4.846) 7.700 7.842 ( -10.185 0.338 -0.593) 10.208 8.063 ( 1.110 -1.142 -4.816) 5.072 8.174 ( 7.500 -2.963 -3.607) 8.834 9.208 ( 7.416 8.098 5.507) 12.284 10.270 ( -5.284 -0.969 -11.054) 12.290 11.839 ( 0.006 0.816 -1.517) 1.723 14.826 ( -0.230 0.183 -0.030) 0.296 14.833 ( 0.358 -3.581 3.351) 4.917 15.104 ( -5.384 5.902 5.695) 9.811 15.584 ( 7.650 -2.971 1.221) 8.297 18.532 ( -2.174 -0.140 1.082) 2.433 18.558 ( -1.124 -1.531 -0.229) 1.913 18.630 ( 2.136 0.764 1.179) 2.557 18.656 ( 1.516 1.167 -1.193) 2.255 39.088 ( 0.069 0.238 0.708) 0.750 39.102 ( -0.167 -0.082 0.803) 0.824 61.715 ( -6.639 -4.160 -3.260) 8.486 62.159 ( 7.274 5.645 -12.754) 15.730 ======================= Grid point 206 (73/91) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -5.499 2.121 15.307) 16.403 2.352 ( -1.097 4.136 17.906) 18.410 2.917 ( 1.181 -7.141 14.765) 16.443 3.021 ( 2.659 -3.452 7.028) 8.269 3.181 ( 1.342 -3.731 -4.086) 5.694 3.357 ( -0.871 -0.247 -0.313) 0.958 3.402 ( 3.613 -0.369 5.977) 6.994 3.480 ( 2.624 -2.128 0.229) 3.386 3.570 ( 0.085 -1.099 6.294) 6.390 3.706 ( 4.277 -1.240 -3.100) 5.425 3.901 ( -7.344 1.297 4.038) 8.480 3.918 ( -1.707 -5.148 -6.833) 8.724 4.174 ( -3.005 -8.159 3.736) 9.464 4.795 ( 1.836 13.770 7.342) 15.712 5.417 ( 5.706 -1.635 11.191) 12.667 5.552 ( -4.385 -0.270 3.202) 5.436 5.660 ( 0.201 -1.038 0.289) 1.096 5.797 ( 1.865 6.354 6.231) 9.093 6.283 ( -6.285 -5.345 1.980) 8.485 6.668 ( 2.265 7.351 -0.517) 7.709 6.900 ( 0.741 0.891 -5.267) 5.393 6.996 ( 4.197 -1.820 -0.158) 4.578 7.075 ( -1.349 5.262 -6.069) 8.145 7.300 ( 0.953 -13.666 -4.927) 14.558 7.655 ( -8.494 2.794 1.199) 9.021 8.087 ( 0.966 -0.339 -3.850) 3.983 8.308 ( 4.063 -1.687 -3.796) 5.811 9.130 ( 2.109 17.486 4.259) 18.120 10.198 ( -4.664 -2.547 -11.706) 12.856 11.817 ( -0.572 1.642 -1.396) 2.230 14.821 ( 0.345 1.318 -0.045) 1.363 14.891 ( -3.719 3.224 4.063) 6.383 14.916 ( -0.361 -0.632 7.006) 7.044 15.784 ( 6.686 -5.537 -1.237) 8.769 18.502 ( -1.328 -0.117 0.962) 1.644 18.562 ( -0.686 -1.658 -0.037) 1.795 18.637 ( 0.753 1.811 -0.458) 2.014 18.671 ( 1.302 0.846 0.101) 1.556 39.087 ( 0.094 0.172 0.731) 0.757 39.097 ( -0.291 0.076 0.840) 0.892 61.670 ( -4.336 -4.347 -2.183) 6.516 62.170 ( 3.745 7.825 -12.717) 15.394 ======================= Grid point 207 (74/91) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.000 1.173 18.210) 18.248 2.285 ( 0.000 4.506 20.656) 21.142 2.990 ( -0.000 -3.335 15.158) 15.520 3.103 ( -0.000 -4.636 4.067) 6.167 3.247 ( -0.000 -4.156 -2.052) 4.635 3.364 ( -0.000 -1.849 0.346) 1.881 3.488 ( -0.000 -1.160 5.071) 5.202 3.520 ( -0.000 -1.939 -0.211) 1.951 3.589 ( -0.000 -1.828 5.828) 6.108 3.758 ( -0.000 -0.153 -5.058) 5.061 3.760 ( 0.000 2.963 3.628) 4.684 4.009 ( -0.000 -8.027 -13.479) 15.688 4.237 ( -0.000 -5.744 11.830) 13.151 4.647 ( 0.000 12.726 6.346) 14.221 5.478 ( 0.000 1.016 3.992) 4.120 5.494 ( -0.000 -1.117 10.570) 10.629 5.674 ( -0.000 -0.886 0.147) 0.898 5.756 ( 0.000 5.073 5.547) 7.517 6.294 ( -0.000 -6.161 3.245) 6.963 6.579 ( 0.000 7.847 -2.528) 8.244 6.909 ( 0.000 0.102 -5.529) 5.530 6.998 ( 0.000 4.421 -5.358) 6.947 7.089 ( -0.000 -4.256 -0.621) 4.301 7.509 ( 0.000 5.967 1.939) 6.275 7.517 ( -0.000 -18.319 -4.878) 18.957 8.109 ( -0.000 -1.171 -2.616) 2.866 8.351 ( 0.000 0.691 -3.202) 3.276 8.881 ( 0.000 22.152 1.316) 22.191 10.188 ( -0.000 -2.540 -11.888) 12.157 11.788 ( 0.000 1.662 -1.844) 2.482 14.711 ( 0.000 8.855 11.560) 14.562 14.872 ( -0.000 -3.256 -4.876) 5.863 14.967 ( -0.000 -2.218 3.887) 4.476 15.916 ( -0.000 -5.438 -1.262) 5.583 18.491 ( -0.000 -0.080 0.894) 0.898 18.575 ( -0.000 -1.369 0.055) 1.370 18.620 ( 0.000 1.790 -0.845) 1.979 18.673 ( 0.000 0.734 0.332) 0.805 39.085 ( 0.000 0.182 0.536) 0.566 39.094 ( -0.000 -0.013 0.861) 0.862 61.680 ( -0.000 -3.520 -2.002) 4.049 62.104 ( 0.000 7.359 -10.851) 13.111 ======================= Grid point 210 (75/91) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 4.641 0.000 14.206) 14.944 2.482 ( -5.992 -0.000 14.675) 15.851 2.870 ( -5.975 -0.000 11.169) 12.667 2.907 ( -3.247 -0.000 6.440) 7.212 3.113 ( 0.220 0.000 0.906) 0.932 3.330 ( 5.004 0.000 2.875) 5.771 3.354 ( -0.810 -0.000 -0.136) 0.821 3.405 ( 1.101 0.000 3.338) 3.515 3.555 ( -1.001 -0.000 7.731) 7.796 3.631 ( 1.269 0.000 -0.341) 1.314 3.893 ( -3.784 -0.000 -5.920) 7.026 3.916 ( -0.115 -0.000 6.192) 6.193 4.146 ( -9.970 -0.000 -1.081) 10.029 5.102 ( 1.347 0.000 7.147) 7.273 5.189 ( 11.941 0.000 11.031) 16.257 5.555 ( -0.877 -0.000 1.519) 1.754 5.635 ( -0.056 -0.000 0.560) 0.563 5.930 ( 1.522 0.000 7.333) 7.489 6.327 ( -9.592 -0.000 0.807) 9.626 6.654 ( 5.154 0.000 -3.500) 6.230 6.924 ( 7.478 0.000 -1.328) 7.595 6.978 ( 0.972 0.000 -3.808) 3.930 7.047 ( -0.093 -0.000 3.146) 3.148 7.299 ( -9.248 -0.000 -4.614) 10.335 7.861 ( -10.171 -0.000 -2.636) 10.507 8.023 ( 2.661 0.000 -6.643) 7.156 8.123 ( 7.963 0.000 -4.085) 8.950 9.315 ( 12.028 0.000 6.308) 13.582 10.258 ( -6.206 -0.000 -10.421) 12.129 11.850 ( 0.583 0.000 -1.338) 1.460 14.777 ( 0.005 0.000 7.344) 7.344 14.831 ( -1.059 -0.000 -3.090) 3.266 15.180 ( -1.339 -0.000 4.408) 4.607 15.554 ( 4.241 0.000 1.508) 4.501 18.531 ( -2.187 -0.000 1.010) 2.409 18.536 ( -1.065 -0.000 -0.187) 1.081 18.639 ( 2.605 0.000 1.646) 3.082 18.673 ( 1.317 0.000 -1.595) 2.068 39.095 ( 0.013 0.000 0.555) 0.555 39.097 ( 0.006 0.000 1.063) 1.063 61.657 ( -6.311 -0.000 -2.345) 6.733 62.235 ( 8.132 0.000 -14.240) 16.398 ======================= Grid point 211 (76/91) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -5.455 1.376 12.845) 14.023 2.433 ( 3.640 1.363 11.602) 12.236 2.765 ( -3.537 -2.105 11.458) 12.175 2.919 ( 0.104 -4.616 4.467) 6.424 3.128 ( 0.614 -0.920 0.082) 1.109 3.345 ( -0.788 -0.896 0.298) 1.230 3.410 ( 0.862 0.966 4.567) 4.747 3.423 ( 2.965 -1.208 0.636) 3.264 3.548 ( -0.188 -0.764 7.792) 7.832 3.677 ( 3.770 -0.690 -1.457) 4.101 3.829 ( -3.767 -1.428 -4.298) 5.891 3.922 ( -3.995 -0.310 5.638) 6.917 4.003 ( -4.339 -3.748 5.224) 7.757 5.090 ( 2.847 7.877 5.149) 9.832 5.375 ( 6.737 -1.620 14.107) 15.717 5.538 ( -1.798 -0.593 1.148) 2.214 5.641 ( 0.232 -0.432 0.587) 0.764 5.925 ( 0.652 3.063 7.712) 8.324 6.194 ( -6.384 -1.791 0.892) 6.690 6.754 ( 5.675 -0.442 -4.374) 7.178 6.972 ( -0.726 4.908 0.409) 4.978 7.019 ( 2.299 1.908 0.281) 3.000 7.055 ( 2.371 -3.915 -4.798) 6.631 7.167 ( -5.240 -0.660 -3.030) 6.089 7.694 ( -7.236 1.235 -1.937) 7.592 8.068 ( 1.231 -1.021 -6.802) 6.987 8.247 ( 4.295 -2.086 -4.627) 6.649 9.453 ( 7.527 7.026 7.272) 12.606 10.146 ( -6.165 -1.161 -11.009) 12.671 11.850 ( -0.019 0.797 -0.511) 0.946 14.795 ( 0.086 -2.210 5.650) 6.068 14.824 ( 0.168 -0.767 -2.519) 2.639 15.088 ( -3.973 4.843 9.871) 11.691 15.679 ( 6.066 -2.330 -3.242) 7.262 18.500 ( -1.282 -0.047 0.904) 1.569 18.526 ( -0.651 -0.908 -0.006) 1.117 18.672 ( 1.353 0.760 1.176) 1.948 18.689 ( 0.940 0.460 -1.454) 1.791 39.092 ( 0.060 0.210 0.868) 0.896 39.097 ( -0.154 -0.036 1.010) 1.022 61.581 ( -3.841 -2.176 -0.901) 4.505 62.326 ( 4.480 3.633 -16.196) 17.192 ======================= Grid point 212 (77/91) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 2.177 13.662) 13.834 2.409 ( 0.000 5.150 14.051) 14.965 2.824 ( -0.000 -8.539 13.995) 16.394 2.994 ( -0.000 -5.260 3.208) 6.161 3.154 ( -0.000 -2.315 -1.517) 2.768 3.345 ( -0.000 -0.282 -0.320) 0.426 3.425 ( -0.000 -1.744 3.584) 3.986 3.460 ( -0.000 -1.888 -0.351) 1.920 3.562 ( -0.000 -0.964 7.675) 7.736 3.755 ( -0.000 -0.034 -4.451) 4.451 3.802 ( -0.000 -4.215 -3.095) 5.229 3.846 ( 0.000 0.493 1.828) 1.893 4.059 ( -0.000 -6.957 11.461) 13.407 4.991 ( 0.000 12.416 5.345) 13.518 5.458 ( -0.000 -1.556 14.793) 14.874 5.506 ( 0.000 1.024 1.526) 1.837 5.651 ( -0.000 -0.804 0.475) 0.933 5.889 ( 0.000 4.492 6.787) 8.139 6.165 ( -0.000 -3.530 1.104) 3.698 6.821 ( 0.000 10.499 2.752) 10.853 6.857 ( -0.000 -3.410 -7.145) 7.917 7.047 ( 0.000 0.317 -1.552) 1.584 7.113 ( 0.000 2.846 -3.932) 4.854 7.158 ( -0.000 -9.393 -5.557) 10.913 7.604 ( 0.000 1.852 0.766) 2.004 8.088 ( -0.000 -0.614 -5.709) 5.741 8.316 ( -0.000 -2.646 -4.446) 5.174 9.377 ( 0.000 15.314 6.555) 16.658 10.113 ( -0.000 -2.858 -11.840) 12.180 11.833 ( 0.000 1.602 -0.579) 1.703 14.814 ( -0.000 -1.378 -6.016) 6.172 14.867 ( -0.000 -4.453 8.017) 9.171 14.958 ( 0.000 9.073 11.201) 14.415 15.780 ( -0.000 -4.524 -3.587) 5.773 18.489 ( -0.000 -0.077 0.860) 0.863 18.536 ( -0.000 -1.494 0.066) 1.495 18.666 ( 0.000 1.625 -0.236) 1.642 18.692 ( 0.000 0.650 -0.225) 0.688 39.092 ( 0.000 0.311 0.998) 1.045 39.093 ( -0.000 -0.005 0.874) 0.874 61.582 ( -0.000 -3.569 -0.727) 3.642 62.299 ( 0.000 6.753 -15.564) 16.966 ======================= Grid point 218 (78/91) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -0.000 -0.000 11.113) 11.113 2.502 ( -0.000 -0.000 9.154) 9.154 2.689 ( -0.000 -0.000 11.734) 11.734 2.886 ( -0.000 -0.000 1.661) 1.661 3.129 ( -0.000 -0.000 0.906) 0.906 3.330 ( -0.000 -0.000 0.394) 0.394 3.421 ( -0.000 -0.000 5.164) 5.164 3.448 ( -0.000 -0.000 0.162) 0.162 3.541 ( -0.000 -0.000 8.205) 8.205 3.730 ( -0.000 -0.000 -1.423) 1.423 3.755 ( -0.000 -0.000 -3.996) 3.996 3.870 ( -0.000 -0.000 4.398) 4.398 3.960 ( -0.000 -0.000 10.347) 10.347 5.167 ( -0.000 -0.000 2.954) 2.954 5.431 ( -0.000 -0.000 17.422) 17.422 5.520 ( -0.000 -0.000 0.445) 0.445 5.640 ( -0.000 -0.000 0.510) 0.510 5.948 ( -0.000 -0.000 8.405) 8.405 6.122 ( -0.000 -0.000 0.260) 0.260 6.809 ( -0.000 -0.000 -7.545) 7.545 7.005 ( -0.000 -0.000 -5.216) 5.216 7.039 ( -0.000 -0.000 6.164) 6.164 7.073 ( -0.000 -0.000 -0.173) 0.173 7.092 ( -0.000 -0.000 -2.735) 2.735 7.636 ( -0.000 -0.000 -3.620) 3.620 8.075 ( -0.000 -0.000 -7.544) 7.544 8.272 ( -0.000 -0.000 -5.087) 5.087 9.578 ( -0.000 -0.000 8.822) 8.822 10.073 ( -0.000 -0.000 -11.700) 11.700 11.855 ( -0.000 -0.000 0.026) 0.026 14.783 ( -0.000 -0.000 10.200) 10.200 14.819 ( -0.000 -0.000 -7.095) 7.095 15.084 ( -0.000 -0.000 11.066) 11.066 15.719 ( -0.000 -0.000 -4.691) 4.691 18.488 ( -0.000 -0.000 0.838) 0.838 18.515 ( -0.000 -0.000 0.077) 0.077 18.690 ( -0.000 -0.000 1.658) 1.658 18.699 ( 0.000 0.000 -2.060) 2.060 39.093 ( -0.000 -0.000 0.877) 0.877 39.097 ( -0.000 -0.000 1.176) 1.176 61.533 ( -0.000 -0.000 -0.071) 0.071 62.390 ( -0.000 -0.000 -17.557) 17.557 ======================= Grid point 234 (79/91) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 0.000 8.506) 8.506 2.639 ( 0.000 0.000 18.938) 18.938 3.019 ( 0.000 0.000 -14.004) 14.004 3.189 ( 0.000 0.000 3.811) 3.811 3.360 ( 0.000 0.000 2.564) 2.564 3.527 ( 0.000 0.000 10.810) 10.810 3.551 ( 0.000 0.000 0.615) 0.615 3.614 ( 0.000 0.000 3.515) 3.515 3.689 ( 0.000 0.000 -1.694) 1.694 3.724 ( 0.000 0.000 -1.052) 1.052 3.725 ( 0.000 0.000 2.912) 2.912 3.807 ( 0.000 0.000 -15.244) 15.244 4.406 ( 0.000 0.000 2.671) 2.671 4.541 ( 0.000 0.000 0.210) 0.210 5.540 ( 0.000 0.000 2.055) 2.055 5.640 ( 0.000 0.000 5.570) 5.570 5.689 ( 0.000 0.000 0.398) 0.398 5.774 ( 0.000 0.000 1.114) 1.114 6.407 ( 0.000 0.000 -1.681) 1.681 6.473 ( 0.000 0.000 2.296) 2.296 6.844 ( 0.000 0.000 -1.381) 1.381 6.874 ( 0.000 0.000 -1.740) 1.740 7.166 ( 0.000 0.000 0.172) 0.172 7.414 ( 0.000 0.000 0.356) 0.356 7.829 ( 0.000 0.000 -2.208) 2.208 8.104 ( 0.000 0.000 -0.715) 0.715 8.287 ( 0.000 0.000 1.901) 1.901 8.435 ( 0.000 0.000 -3.202) 3.202 10.049 ( 0.000 0.000 -4.887) 4.887 11.731 ( 0.000 0.000 -0.887) 0.887 14.750 ( 0.000 0.000 4.207) 4.207 14.836 ( 0.000 0.000 -3.033) 3.033 15.040 ( 0.000 0.000 2.036) 2.036 15.988 ( 0.000 0.000 -0.259) 0.259 18.505 ( 0.000 0.000 0.322) 0.322 18.583 ( 0.000 0.000 -0.308) 0.308 18.595 ( 0.000 0.000 0.018) 0.018 18.668 ( 0.000 0.000 0.157) 0.157 39.088 ( 0.000 0.000 0.140) 0.140 39.106 ( 0.000 0.000 0.343) 0.343 61.693 ( 0.000 0.000 -0.901) 0.901 61.892 ( 0.000 0.000 -2.850) 2.850 ======================= Grid point 235 (80/91) ======================= q-point: ( 0.17 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 5.328 1.124 8.484) 10.081 2.650 ( -0.109 -2.203 18.516) 18.647 2.991 ( -1.956 0.669 -13.602) 13.758 3.224 ( 2.205 -1.293 4.437) 5.121 3.295 ( -3.838 7.201 1.859) 8.369 3.481 ( -4.834 0.589 6.377) 8.023 3.489 ( -3.675 0.259 4.763) 6.021 3.524 ( -2.559 1.015 1.055) 2.948 3.668 ( -1.819 0.454 -1.892) 2.664 3.692 ( -0.462 1.925 2.332) 3.059 3.790 ( 0.515 1.448 -11.871) 11.970 3.900 ( 10.701 -0.080 -0.210) 10.704 4.391 ( -10.187 3.558 1.224) 10.860 4.567 ( 7.571 -8.616 1.242) 11.537 5.557 ( 0.842 -0.682 2.233) 2.482 5.649 ( -6.883 0.230 4.286) 8.112 5.686 ( -0.367 0.439 0.016) 0.573 5.753 ( 3.954 -2.717 2.250) 5.299 6.450 ( 1.892 -2.919 -1.063) 3.637 6.505 ( 5.818 4.091 1.639) 7.299 6.814 ( -3.674 -1.087 -1.007) 3.961 6.891 ( 0.448 -2.063 -1.875) 2.823 7.085 ( -3.835 2.831 0.166) 4.769 7.557 ( 9.631 -4.147 0.177) 10.487 7.653 ( -4.055 18.413 -1.901) 18.950 8.015 ( -6.495 -6.000 -1.065) 8.906 8.270 ( -3.897 -0.564 -0.865) 4.032 8.703 ( 10.675 -14.179 -0.065) 17.749 10.077 ( 3.812 1.292 -4.899) 6.340 11.750 ( 1.044 -1.201 -0.852) 1.805 14.810 ( 0.697 -0.349 0.535) 0.945 14.834 ( 4.004 -2.562 0.729) 4.809 15.014 ( -2.841 0.253 1.672) 3.306 15.918 ( -5.087 3.719 0.130) 6.303 18.519 ( 1.565 0.085 0.359) 1.608 18.585 ( -0.482 -0.951 -0.300) 1.107 18.595 ( 0.566 0.702 -0.029) 0.902 18.660 ( -1.184 -0.446 0.199) 1.281 39.090 ( 0.134 -0.169 0.170) 0.274 39.107 ( 0.114 -0.044 0.348) 0.368 61.715 ( 3.581 1.818 -1.202) 4.192 61.888 ( -2.522 -2.893 -2.916) 4.820 ======================= Grid point 236 (81/91) ======================= q-point: ( 0.33 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.906 0.974 12.512) 12.583 2.734 ( 6.543 -1.880 11.090) 13.013 2.964 ( -1.238 -1.471 -11.775) 11.931 3.094 ( -5.205 6.937 2.890) 9.141 3.280 ( 1.175 0.006 7.399) 7.491 3.400 ( -1.284 3.176 4.313) 5.508 3.443 ( -4.571 0.891 1.123) 4.791 3.470 ( -1.193 -2.481 2.997) 4.069 3.628 ( -1.648 0.651 -0.951) 2.011 3.660 ( -0.392 1.752 2.157) 2.806 3.785 ( 0.228 0.914 -9.658) 9.704 4.054 ( 4.805 -0.235 2.116) 5.256 4.177 ( -5.998 2.493 -4.354) 7.820 4.832 ( 9.861 -6.652 3.115) 12.296 5.442 ( -11.278 0.767 4.239) 12.072 5.610 ( 1.260 -1.259 0.193) 1.792 5.669 ( -0.984 0.201 0.148) 1.016 5.880 ( 4.846 -1.577 3.531) 6.200 6.497 ( 4.218 5.185 0.315) 6.691 6.567 ( 1.167 -4.021 0.066) 4.187 6.771 ( -3.494 -3.049 0.053) 4.637 6.943 ( 1.047 -4.026 -2.317) 4.761 7.001 ( -0.626 4.315 -0.156) 4.363 7.362 ( -4.694 13.201 -1.948) 14.145 7.790 ( 10.227 -3.967 -0.200) 10.971 8.007 ( -2.036 -3.236 -1.093) 3.977 8.174 ( -7.107 0.197 -1.149) 7.202 9.017 ( 6.262 -9.961 1.203) 11.827 10.132 ( 3.795 1.335 -4.833) 6.288 11.787 ( 1.094 -1.253 -0.756) 1.827 14.800 ( 1.152 0.960 -1.454) 2.089 14.938 ( -4.388 1.040 1.014) 4.622 15.020 ( 7.431 -6.565 2.552) 10.239 15.740 ( -7.422 5.631 1.124) 9.384 18.553 ( 2.502 0.277 0.430) 2.554 18.587 ( -0.499 -0.807 -0.239) 0.979 18.597 ( 0.559 0.569 -0.147) 0.811 18.638 ( -2.105 -0.642 0.268) 2.217 39.094 ( 0.051 -0.056 0.227) 0.239 39.112 ( 0.209 -0.169 0.343) 0.436 61.762 ( 4.950 3.235 -1.731) 6.162 61.876 ( -3.916 -4.287 -3.091) 6.578 ======================= Grid point 237 (82/91) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 -0.000 10.489) 10.489 2.828 ( 0.000 0.000 9.379) 9.379 2.974 ( -0.000 -0.000 -8.891) 8.891 2.992 ( 0.000 0.000 3.402) 3.402 3.268 ( -0.000 -0.000 10.388) 10.388 3.360 ( 0.000 -0.000 2.455) 2.455 3.403 ( 0.000 0.000 0.392) 0.392 3.478 ( 0.000 -0.000 3.457) 3.457 3.606 ( 0.000 -0.000 -0.384) 0.384 3.643 ( 0.000 0.000 1.763) 1.763 3.778 ( 0.000 -0.000 -8.568) 8.568 4.050 ( 0.000 -0.000 0.478) 0.478 4.161 ( -0.000 0.000 -5.096) 5.096 5.001 ( -0.000 0.000 4.546) 4.546 5.296 ( 0.000 -0.000 2.771) 2.771 5.643 ( 0.000 -0.000 0.970) 0.970 5.647 ( -0.000 0.000 0.036) 0.036 5.934 ( -0.000 -0.000 3.282) 3.282 6.495 ( 0.000 -0.000 -0.035) 0.035 6.609 ( 0.000 0.000 0.401) 0.401 6.765 ( 0.000 0.000 0.767) 0.767 6.962 ( 0.000 -0.000 -0.161) 0.161 7.001 ( 0.000 0.000 -3.529) 3.529 7.215 ( 0.000 -0.000 -1.453) 1.453 7.972 ( 0.000 -0.000 -0.857) 0.857 8.005 ( 0.000 -0.000 -0.005) 0.005 8.050 ( -0.000 0.000 -1.710) 1.710 9.138 ( 0.000 0.000 1.634) 1.634 10.159 ( 0.000 -0.000 -4.754) 4.754 11.807 ( 0.000 -0.000 -0.695) 0.695 14.827 ( -0.000 -0.000 -1.289) 1.289 14.866 ( 0.000 -0.000 0.768) 0.768 15.164 ( -0.000 0.000 1.749) 1.749 15.602 ( 0.000 -0.000 2.064) 2.064 18.586 ( -0.000 -0.000 0.416) 0.416 18.588 ( 0.000 0.000 -0.212) 0.212 18.598 ( -0.000 -0.000 0.077) 0.077 18.613 ( -0.000 -0.000 0.073) 0.073 39.094 ( 0.000 0.000 0.251) 0.251 39.115 ( 0.000 -0.000 0.340) 0.340 61.790 ( -0.000 -0.000 -1.891) 1.891 61.865 ( 0.000 0.000 -3.266) 3.266 ======================= Grid point 242 (83/91) ======================= q-point: ( 0.17 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -0.559 -0.000 17.987) 17.996 2.708 ( 8.055 0.000 8.589) 11.775 2.950 ( -2.707 -0.000 -13.126) 13.403 3.254 ( -10.263 -0.000 1.816) 10.422 3.263 ( 2.212 0.000 5.095) 5.555 3.332 ( -1.389 -0.000 1.582) 2.105 3.448 ( -6.446 -0.000 1.505) 6.620 3.491 ( -1.100 -0.000 7.332) 7.414 3.641 ( -1.518 -0.000 -1.315) 2.009 3.692 ( -0.922 -0.000 2.533) 2.695 3.795 ( -0.303 -0.000 -10.000) 10.005 4.051 ( 4.712 0.000 3.221) 5.708 4.205 ( -8.991 -0.000 -3.972) 9.829 4.750 ( 16.119 0.000 1.727) 16.212 5.450 ( -11.427 -0.000 4.322) 12.217 5.580 ( 0.719 0.000 0.342) 0.796 5.666 ( -1.238 -0.000 0.117) 1.244 5.876 ( 7.812 0.000 3.358) 8.503 6.471 ( 3.350 0.000 -1.129) 3.535 6.673 ( 7.664 0.000 1.680) 7.846 6.681 ( -8.886 -0.000 -0.173) 8.888 6.886 ( 0.627 0.000 -1.790) 1.897 7.069 ( -0.105 -0.000 0.458) 0.470 7.643 ( -14.818 -0.000 -1.570) 14.901 7.724 ( 11.228 0.000 -0.346) 11.233 7.861 ( 1.674 0.000 -2.391) 2.919 8.163 ( -7.579 -0.000 -0.952) 7.639 8.883 ( 15.758 0.000 0.889) 15.783 10.153 ( 3.214 0.000 -4.759) 5.743 11.769 ( 1.851 0.000 -0.925) 2.069 14.814 ( -0.072 -0.000 -0.729) 0.733 14.930 ( 8.837 0.000 1.556) 8.973 14.949 ( -4.495 -0.000 1.207) 4.654 15.821 ( -8.055 -0.000 1.209) 8.145 18.558 ( 2.657 0.000 0.470) 2.698 18.567 ( -0.782 -0.000 -0.256) 0.822 18.613 ( 0.879 0.000 -0.051) 0.881 18.629 ( -1.981 -0.000 0.160) 1.987 39.094 ( 0.298 0.000 0.152) 0.334 39.109 ( 0.125 0.000 0.370) 0.391 61.806 ( -4.498 -0.000 -2.215) 5.014 61.816 ( 6.236 0.000 -2.285) 6.641 ======================= Grid point 243 (84/91) ======================= q-point: ( 0.33 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -0.072 -0.296 15.245) 15.248 2.806 ( 0.827 -0.294 7.887) 7.936 2.919 ( -1.840 -1.680 -9.856) 10.166 3.066 ( -5.840 3.488 1.645) 6.998 3.273 ( -2.780 -1.547 8.533) 9.107 3.335 ( -2.105 -1.407 0.082) 2.533 3.362 ( -1.238 -2.513 0.287) 2.816 3.470 ( 0.349 1.486 4.277) 4.541 3.619 ( -0.367 0.607 -0.452) 0.841 3.669 ( -0.772 0.865 2.674) 2.914 3.785 ( -0.735 0.266 -7.754) 7.793 4.028 ( -2.703 -1.006 2.371) 3.733 4.163 ( -0.962 0.005 -4.671) 4.769 5.036 ( 14.531 1.796 3.061) 14.958 5.282 ( -5.807 -0.812 3.351) 6.754 5.604 ( 0.283 -1.558 1.063) 1.907 5.647 ( -0.887 -0.139 0.016) 0.898 5.974 ( 4.152 1.723 3.101) 5.461 6.507 ( -7.788 0.735 0.241) 7.827 6.556 ( 2.969 -2.390 -0.501) 3.844 6.790 ( 6.183 1.537 0.816) 6.423 6.917 ( 0.961 -2.808 -1.965) 3.559 7.057 ( 0.842 3.946 0.806) 4.115 7.361 ( -9.697 6.519 -2.291) 11.907 7.921 ( 4.634 -3.892 -0.977) 6.129 7.929 ( 4.389 -2.411 -1.617) 5.263 8.022 ( -8.350 -1.873 -1.234) 8.646 9.149 ( 13.041 0.513 1.606) 13.149 10.171 ( -1.021 0.543 -4.479) 4.626 11.804 ( 1.629 -0.140 -0.773) 1.809 14.824 ( 1.089 -0.155 -0.269) 1.133 14.866 ( -4.145 0.016 0.356) 4.160 15.112 ( 8.641 -2.226 1.022) 8.981 15.663 ( -6.726 2.641 2.177) 7.547 18.556 ( -1.004 -0.917 -0.158) 1.369 18.587 ( -2.101 0.032 0.381) 2.136 18.610 ( 2.611 -0.017 0.536) 2.666 18.628 ( 1.121 0.740 -0.395) 1.400 39.098 ( 0.231 0.190 0.212) 0.367 39.112 ( 0.120 -0.175 0.378) 0.434 61.731 ( -5.361 -2.007 -1.629) 5.952 61.922 ( 6.722 1.919 -3.475) 7.807 ======================= Grid point 244 (85/91) ======================= q-point: (-0.50 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -1.263 0.821 8.689) 8.818 2.742 ( -7.213 -1.378 10.525) 12.834 2.932 ( 0.434 -4.561 -2.505) 5.222 3.001 ( 0.001 -0.781 -3.356) 3.446 3.234 ( -3.922 -2.351 10.215) 11.192 3.358 ( 0.706 -0.310 -0.732) 1.063 3.395 ( 1.833 -2.684 -0.133) 3.253 3.474 ( 0.672 -0.426 2.688) 2.803 3.622 ( 1.505 0.231 -0.188) 1.535 3.651 ( 0.014 0.605 2.567) 2.638 3.768 ( -0.995 -0.200 -6.754) 6.830 4.052 ( -0.090 -1.458 2.433) 2.837 4.102 ( -3.098 -1.895 -3.865) 5.304 5.046 ( -1.210 9.089 3.427) 9.789 5.402 ( 11.745 -2.508 3.897) 12.627 5.607 ( -2.032 -1.314 0.538) 2.479 5.649 ( 0.329 -0.718 0.148) 0.803 5.974 ( 0.569 4.598 3.348) 5.717 6.378 ( -7.771 -2.952 0.538) 8.330 6.643 ( 3.766 -0.689 -0.082) 3.829 6.862 ( 5.164 3.529 -0.015) 6.255 6.975 ( 0.370 0.621 0.099) 0.730 7.003 ( 0.457 1.142 -2.444) 2.736 7.174 ( -4.943 1.283 -2.038) 5.499 7.844 ( -9.326 -0.271 0.400) 9.338 7.988 ( 0.308 -3.279 -2.338) 4.038 8.124 ( 6.950 -3.332 -1.317) 7.819 9.281 ( 7.908 8.867 1.877) 12.028 10.109 ( -5.235 -0.215 -4.487) 6.898 11.819 ( 0.519 1.021 -0.538) 1.265 14.784 ( -2.966 -0.047 -1.215) 3.206 14.894 ( 3.141 -2.237 1.189) 4.035 15.182 ( -1.401 4.550 2.108) 5.207 15.615 ( 3.273 -2.819 1.083) 4.453 18.547 ( -2.285 -0.218 0.389) 2.328 18.555 ( -0.933 -1.483 -0.105) 1.756 18.632 ( 0.983 1.444 -0.356) 1.783 18.654 ( 2.413 0.538 0.384) 2.502 39.098 ( 0.189 0.269 0.286) 0.435 39.114 ( -0.103 -0.005 0.371) 0.385 61.672 ( -5.011 -3.290 -1.119) 6.098 61.992 ( 5.351 4.151 -4.219) 7.978 ======================= Grid point 245 (86/91) ======================= q-point: (-0.33 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -4.971 -0.563 6.692) 8.355 2.682 ( -0.974 -0.612 14.361) 14.407 3.009 ( 1.771 1.786 -9.361) 9.693 3.076 ( 3.847 -8.668 1.360) 9.581 3.228 ( -2.621 -5.936 10.745) 12.552 3.344 ( -1.574 -1.427 -1.631) 2.678 3.468 ( 1.658 -2.685 -0.045) 3.156 3.505 ( 1.335 -1.941 2.383) 3.351 3.655 ( 1.196 -0.214 0.899) 1.512 3.661 ( 1.811 -0.165 -0.002) 1.818 3.753 ( -1.601 -1.056 -7.033) 7.290 3.920 ( -8.574 1.688 -0.613) 8.760 4.253 ( 7.048 -7.002 2.664) 10.286 4.875 ( -1.623 13.652 1.581) 13.839 5.561 ( -1.253 -0.401 2.630) 2.941 5.631 ( 7.273 -1.349 4.049) 8.432 5.663 ( 0.063 -0.985 0.060) 0.989 5.893 ( -0.618 7.219 2.684) 7.726 6.314 ( -5.966 -6.253 0.892) 8.689 6.670 ( 2.876 8.507 0.316) 8.986 6.834 ( -1.321 1.544 -1.480) 2.514 6.980 ( -0.667 4.405 -2.824) 5.275 6.998 ( 3.600 -1.674 0.028) 3.970 7.229 ( 0.462 -13.745 -2.007) 13.899 7.679 ( -7.155 3.176 0.838) 7.873 8.030 ( 0.599 -2.410 -1.662) 2.988 8.256 ( 3.829 -2.173 -1.390) 4.617 9.188 ( 2.017 19.832 1.537) 19.993 10.026 ( -4.889 -2.233 -4.835) 7.230 11.798 ( -0.302 2.259 -0.492) 2.332 14.762 ( -0.969 -1.866 -1.924) 2.849 14.981 ( 2.630 -2.267 1.845) 3.931 15.024 ( -3.710 9.289 3.455) 10.582 15.770 ( 4.681 -6.806 -0.331) 8.267 18.515 ( -1.448 -0.154 0.338) 1.495 18.562 ( -0.538 -1.642 -0.016) 1.728 18.625 ( 0.531 1.822 -0.414) 1.942 18.679 ( 1.314 0.862 0.309) 1.601 39.098 ( 0.181 0.359 0.310) 0.507 39.109 ( -0.271 0.126 0.354) 0.463 61.642 ( -3.166 -3.518 -0.741) 4.790 62.003 ( 2.823 5.442 -4.244) 7.456 ======================= Grid point 246 (87/91) ======================= q-point: (-0.17 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -0.000 -1.188 7.472) 7.565 2.677 ( 0.000 1.268 18.635) 18.679 3.002 ( 0.000 0.474 -13.119) 13.127 3.228 ( 0.000 1.660 6.722) 6.924 3.237 ( -0.000 -8.431 1.181) 8.513 3.405 ( -0.000 -8.804 4.850) 10.051 3.519 ( -0.000 -2.753 -0.310) 2.771 3.571 ( -0.000 -4.206 2.799) 5.052 3.674 ( -0.000 -0.933 2.099) 2.297 3.687 ( -0.000 -0.025 -1.935) 1.936 3.753 ( -0.000 -1.760 -9.112) 9.280 3.783 ( 0.000 3.035 -1.744) 3.500 4.417 ( -0.000 -6.101 5.738) 8.375 4.675 ( 0.000 14.296 -1.315) 14.357 5.538 ( -0.000 -0.118 1.714) 1.718 5.669 ( -0.000 -0.395 1.301) 1.360 5.706 ( 0.000 1.294 7.671) 7.779 5.812 ( 0.000 4.873 -0.926) 4.960 6.343 ( -0.000 -7.576 1.404) 7.705 6.550 ( 0.000 10.557 -0.586) 10.573 6.837 ( -0.000 -1.116 -1.834) 2.147 6.922 ( 0.000 3.595 -2.106) 4.166 7.082 ( -0.000 -4.719 -0.142) 4.721 7.447 ( -0.000 -18.622 -1.954) 18.724 7.539 ( 0.000 6.884 0.899) 6.943 8.070 ( -0.000 -2.489 -1.083) 2.714 8.307 ( -0.000 -0.443 -1.178) 1.259 8.898 ( 0.000 25.579 0.458) 25.583 10.013 ( -0.000 -2.576 -4.924) 5.557 11.764 ( 0.000 2.301 -0.652) 2.391 14.788 ( -0.000 -2.927 -2.375) 3.769 14.868 ( 0.000 8.650 4.129) 9.585 15.031 ( -0.000 -1.265 1.713) 2.130 15.899 ( -0.000 -6.338 -0.479) 6.356 18.504 ( -0.000 -0.097 0.315) 0.330 18.576 ( -0.000 -1.366 0.019) 1.366 18.607 ( 0.000 1.706 -0.374) 1.747 18.679 ( 0.000 0.811 0.215) 0.839 39.094 ( 0.000 0.456 0.247) 0.518 39.106 ( -0.000 -0.007 0.345) 0.345 61.653 ( -0.000 -2.913 -0.685) 2.992 61.961 ( 0.000 4.963 -3.684) 6.180 ======================= Grid point 249 (88/91) ======================= q-point: ( 0.33 0.33 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.824 0.000 13.106) 13.132 2.716 ( -9.335 -0.000 7.445) 11.941 2.878 ( -1.256 -0.000 -8.574) 8.666 2.977 ( -5.102 -0.000 1.101) 5.220 3.190 ( -3.702 -0.000 5.583) 6.699 3.348 ( 0.022 0.000 -0.074) 0.077 3.358 ( 4.215 0.000 0.467) 4.241 3.490 ( 0.624 0.000 3.480) 3.536 3.629 ( 1.064 0.000 -0.045) 1.065 3.657 ( -0.857 -0.000 2.585) 2.724 3.768 ( -1.397 -0.000 -5.259) 5.441 4.010 ( 1.696 0.000 2.663) 3.157 4.092 ( -6.466 -0.000 -2.509) 6.936 5.200 ( -1.596 -0.000 2.606) 3.056 5.340 ( 15.473 0.000 3.982) 15.977 5.584 ( -1.389 -0.000 0.971) 1.695 5.640 ( 0.072 0.000 0.061) 0.094 6.041 ( 2.067 0.000 3.224) 3.830 6.345 ( -9.221 -0.000 0.686) 9.247 6.615 ( 4.276 0.000 -0.761) 4.343 6.912 ( 0.694 0.000 -2.023) 2.139 6.913 ( 6.018 0.000 -0.146) 6.020 7.111 ( 1.479 0.000 2.134) 2.596 7.228 ( -8.358 -0.000 -2.112) 8.620 7.826 ( -10.406 -0.000 -0.916) 10.447 7.924 ( 1.705 0.000 -2.921) 3.382 8.067 ( 7.328 0.000 -1.521) 7.484 9.396 ( 12.776 0.000 1.908) 12.917 10.112 ( -5.695 -0.000 -3.874) 6.888 11.832 ( 1.374 0.000 -0.493) 1.460 14.792 ( -3.603 -0.000 -0.936) 3.722 14.854 ( 2.217 0.000 1.493) 2.673 15.226 ( 4.242 0.000 0.986) 4.356 15.597 ( -1.448 -0.000 1.556) 2.126 18.533 ( -0.890 -0.000 -0.069) 0.892 18.544 ( -2.263 -0.000 0.346) 2.290 18.652 ( 1.003 0.000 -0.525) 1.132 18.661 ( 2.648 0.000 0.568) 2.709 39.103 ( 0.179 0.000 0.247) 0.305 39.113 ( 0.089 0.000 0.449) 0.458 61.626 ( -4.803 -0.000 -0.805) 4.870 62.049 ( 5.815 0.000 -4.732) 7.497 ======================= Grid point 250 (89/91) ======================= q-point: (-0.50 0.33 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -6.633 0.730 5.352) 8.554 2.651 ( 0.076 -1.122 8.804) 8.875 2.888 ( 0.825 -4.376 1.096) 4.586 2.950 ( -1.436 -4.967 -1.631) 5.421 3.135 ( -3.184 -0.174 2.232) 3.893 3.345 ( -0.852 -0.598 -0.142) 1.051 3.427 ( 2.602 -0.187 0.080) 2.609 3.492 ( 0.494 1.000 2.518) 2.754 3.651 ( -0.026 -0.480 2.628) 2.672 3.658 ( 2.169 0.034 -0.458) 2.217 3.739 ( -1.937 -0.192 -3.460) 3.970 3.959 ( -6.436 0.960 -0.286) 6.514 4.095 ( 3.814 -4.167 2.966) 6.381 5.152 ( 0.536 6.841 1.520) 7.029 5.553 ( -0.514 0.023 1.892) 1.960 5.588 ( 8.751 -1.729 4.599) 10.036 5.644 ( 0.101 -0.440 -0.040) 0.454 6.043 ( 0.788 3.668 3.477) 5.115 6.210 ( -6.908 -1.984 0.586) 7.211 6.693 ( 3.143 -1.814 -1.641) 3.983 6.949 ( 1.112 -3.558 -1.486) 4.013 6.996 ( 4.361 1.862 -1.072) 4.862 7.064 ( -1.545 6.915 2.633) 7.559 7.114 ( -2.997 2.502 -2.408) 4.587 7.677 ( -7.243 -2.091 -0.091) 7.539 7.962 ( 0.752 -2.115 -3.284) 3.978 8.183 ( 3.866 -2.477 -1.730) 4.906 9.549 ( 8.793 7.466 2.309) 11.764 9.993 ( -6.950 -0.243 -4.019) 8.032 11.843 ( 0.535 1.058 -0.188) 1.200 14.742 ( -1.780 0.120 -1.831) 2.556 14.908 ( 1.925 -2.432 2.430) 3.940 15.217 ( -1.439 4.524 3.249) 5.753 15.639 ( 3.250 -2.834 -0.977) 4.421 18.512 ( -1.364 -0.071 0.316) 1.402 18.526 ( -0.530 -0.891 -0.003) 1.037 18.661 ( 0.588 0.843 -0.598) 1.189 18.696 ( 1.493 0.406 0.512) 1.629 39.104 ( 0.142 0.134 0.328) 0.381 39.113 ( -0.055 0.136 0.458) 0.481 61.569 ( -2.884 -1.763 -0.302) 3.394 62.114 ( 3.225 2.617 -5.395) 6.808 ======================= Grid point 251 (90/91) ======================= q-point: (-0.33 0.33 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 139 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -0.000 -0.192 5.727) 5.730 2.662 ( -0.000 -1.112 9.906) 9.968 3.009 ( -0.000 -7.273 -2.840) 7.807 3.039 ( -0.000 -12.584 6.657) 14.236 3.079 ( 0.000 2.593 -2.366) 3.511 3.335 ( 0.000 0.778 -0.593) 0.978 3.455 ( -0.000 -1.337 -0.230) 1.357 3.493 ( -0.000 -0.808 2.202) 2.345 3.662 ( -0.000 -0.623 2.560) 2.634 3.689 ( 0.000 0.166 -1.945) 1.952 3.717 ( -0.000 -0.931 -3.037) 3.177 3.869 ( 0.000 2.784 0.031) 2.785 4.218 ( -0.000 -7.985 4.191) 9.017 5.037 ( 0.000 12.204 0.610) 12.219 5.536 ( 0.000 0.014 1.055) 1.055 5.650 ( -0.000 -0.720 0.540) 0.900 5.699 ( -0.000 -1.079 6.777) 6.863 5.984 ( 0.000 6.625 2.391) 7.043 6.182 ( -0.000 -4.520 0.490) 4.546 6.763 ( -0.000 -3.856 -2.404) 4.544 6.882 ( 0.000 13.990 2.845) 14.276 7.031 ( -0.000 -0.066 -0.154) 0.168 7.033 ( 0.000 4.707 -3.406) 5.810 7.071 ( -0.000 -10.024 -2.756) 10.396 7.631 ( -0.000 -0.404 1.252) 1.316 7.999 ( -0.000 -2.782 -2.755) 3.915 8.255 ( -0.000 -3.230 -1.654) 3.629 9.469 ( 0.000 17.711 2.490) 17.885 9.941 ( -0.000 -2.667 -4.825) 5.513 11.826 ( 0.000 2.202 -0.205) 2.212 14.732 ( -0.000 -1.057 -2.052) 2.308 14.967 ( -0.000 -3.459 2.311) 4.160 15.111 ( 0.000 8.924 4.000) 9.780 15.730 ( -0.000 -5.888 -1.392) 6.050 18.501 ( -0.000 -0.097 0.301) 0.317 18.537 ( -0.000 -1.485 0.024) 1.486 18.651 ( 0.000 1.523 -0.545) 1.618 18.701 ( 0.000 0.794 0.396) 0.887 39.106 ( -0.000 -0.002 0.347) 0.347 39.107 ( 0.000 0.517 0.427) 0.670 61.572 ( -0.000 -2.940 -0.243) 2.950 62.095 ( 0.000 4.753 -5.185) 7.034 ======================= Grid point 257 (91/91) ======================= q-point: (-0.50 0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -0.000 -0.000 4.731) 4.731 2.654 ( -0.000 -0.000 4.956) 4.956 2.855 ( -0.000 -0.000 4.575) 4.575 2.899 ( -0.000 -0.000 0.111) 0.111 3.113 ( -0.000 -0.000 -1.260) 1.260 3.332 ( -0.000 -0.000 -0.025) 0.025 3.452 ( -0.000 -0.000 0.128) 0.128 3.504 ( -0.000 -0.000 2.436) 2.436 3.646 ( -0.000 -0.000 2.602) 2.602 3.693 ( -0.000 -0.000 -1.888) 1.888 3.704 ( -0.000 -0.000 -0.852) 0.852 3.905 ( -0.000 -0.000 0.248) 0.248 4.103 ( -0.000 -0.000 3.714) 3.714 5.203 ( -0.000 -0.000 0.942) 0.942 5.537 ( -0.000 -0.000 0.733) 0.733 5.642 ( -0.000 -0.000 -0.118) 0.118 5.678 ( -0.000 -0.000 6.837) 6.837 6.076 ( -0.000 -0.000 3.705) 3.705 6.126 ( -0.000 -0.000 0.111) 0.111 6.708 ( -0.000 -0.000 -2.649) 2.649 6.926 ( -0.000 -0.000 -2.397) 2.397 7.058 ( -0.000 -0.000 -0.851) 0.851 7.072 ( 0.000 0.000 0.026) 0.026 7.139 ( -0.000 -0.000 3.150) 3.150 7.585 ( -0.000 -0.000 -1.390) 1.390 7.957 ( -0.000 -0.000 -3.602) 3.602 8.201 ( 0.000 0.000 -1.917) 1.917 9.702 ( -0.000 -0.000 3.401) 3.401 9.904 ( -0.000 -0.000 -4.681) 4.681 11.856 ( -0.000 -0.000 0.008) 0.008 14.727 ( -0.000 -0.000 -2.293) 2.293 14.908 ( -0.000 -0.000 3.082) 3.082 15.235 ( -0.000 -0.000 3.950) 3.950 15.651 ( -0.000 -0.000 -2.038) 2.038 18.499 ( -0.000 -0.000 0.293) 0.293 18.516 ( -0.000 -0.000 0.028) 0.028 18.672 ( -0.000 -0.000 -0.692) 0.692 18.712 ( -0.000 -0.000 0.556) 0.556 39.106 ( -0.000 -0.000 0.347) 0.347 39.114 ( -0.000 -0.000 0.501) 0.501 61.532 ( -0.000 -0.000 -0.017) 0.017 62.160 ( -0.000 -0.000 -5.858) 5.858 =================== 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 3/19656 10.0 327.541 438.701 507.691 0.000 0.000 0.000 3/19656 20.0 64.511 88.215 141.987 0.000 0.000 0.000 3/19656 30.0 25.756 36.307 71.244 0.000 0.000 0.000 3/19656 40.0 15.205 21.104 47.906 0.000 0.000 0.000 3/19656 50.0 10.868 14.626 36.109 0.000 0.000 0.000 3/19656 60.0 8.589 11.192 28.912 0.000 0.000 0.000 3/19656 70.0 7.192 9.098 24.079 0.000 0.000 0.000 3/19656 80.0 6.242 7.693 20.630 0.000 0.000 0.000 3/19656 90.0 5.545 6.684 18.056 0.000 0.000 0.000 3/19656 100.0 5.005 5.921 16.068 0.000 0.000 0.000 3/19656 110.0 4.569 5.322 14.488 0.000 0.000 0.000 3/19656 120.0 4.208 4.837 13.202 0.000 0.000 0.000 3/19656 130.0 3.903 4.437 12.137 0.000 0.000 0.000 3/19656 140.0 3.639 4.100 11.238 0.000 0.000 0.000 3/19656 150.0 3.410 3.812 10.469 0.000 0.000 0.000 3/19656 160.0 3.208 3.563 9.804 0.000 0.000 0.000 3/19656 170.0 3.029 3.345 9.222 0.000 0.000 0.000 3/19656 180.0 2.869 3.153 8.708 0.000 0.000 0.000 3/19656 190.0 2.726 2.983 8.251 0.000 0.000 0.000 3/19656 200.0 2.596 2.830 7.841 0.000 0.000 0.000 3/19656 210.0 2.478 2.693 7.471 0.000 0.000 0.000 3/19656 220.0 2.370 2.569 7.136 0.000 0.000 0.000 3/19656 230.0 2.271 2.456 6.830 0.000 0.000 0.000 3/19656 240.0 2.180 2.352 6.550 0.000 0.000 0.000 3/19656 250.0 2.097 2.258 6.293 0.000 0.000 0.000 3/19656 260.0 2.019 2.171 6.056 0.000 0.000 0.000 3/19656 270.0 1.947 2.090 5.836 0.000 0.000 0.000 3/19656 280.0 1.881 2.015 5.632 0.000 0.000 0.000 3/19656 290.0 1.818 1.946 5.442 0.000 0.000 0.000 3/19656 300.0 1.760 1.881 5.265 0.000 0.000 0.000 3/19656 310.0 1.706 1.821 5.100 0.000 0.000 0.000 3/19656 320.0 1.654 1.765 4.945 0.000 0.000 0.000 3/19656 330.0 1.606 1.712 4.799 0.000 0.000 0.000 3/19656 340.0 1.561 1.662 4.662 0.000 0.000 0.000 3/19656 350.0 1.518 1.615 4.533 0.000 0.000 0.000 3/19656 360.0 1.478 1.571 4.411 0.000 0.000 0.000 3/19656 370.0 1.440 1.530 4.296 0.000 0.000 0.000 3/19656 380.0 1.404 1.491 4.187 0.000 0.000 0.000 3/19656 390.0 1.370 1.453 4.083 0.000 0.000 0.000 3/19656 400.0 1.338 1.418 3.985 0.000 0.000 0.000 3/19656 410.0 1.307 1.385 3.892 0.000 0.000 0.000 3/19656 420.0 1.278 1.353 3.803 0.000 0.000 0.000 3/19656 430.0 1.250 1.323 3.719 0.000 0.000 0.000 3/19656 440.0 1.224 1.294 3.639 0.000 0.000 0.000 3/19656 450.0 1.199 1.267 3.562 0.000 0.000 0.000 3/19656 460.0 1.175 1.241 3.489 0.000 0.000 0.000 3/19656 470.0 1.152 1.216 3.419 0.000 0.000 0.000 3/19656 480.0 1.130 1.192 3.352 0.000 0.000 0.000 3/19656 490.0 1.109 1.170 3.288 0.000 0.000 0.000 3/19656 500.0 1.089 1.148 3.226 0.000 0.000 0.000 3/19656 510.0 1.069 1.127 3.167 0.000 0.000 0.000 3/19656 520.0 1.051 1.107 3.111 0.000 0.000 0.000 3/19656 530.0 1.033 1.088 3.056 0.000 0.000 0.000 3/19656 540.0 1.016 1.070 3.004 0.000 0.000 0.000 3/19656 550.0 1.000 1.052 2.954 0.000 0.000 0.000 3/19656 560.0 0.984 1.035 2.906 0.000 0.000 0.000 3/19656 570.0 0.969 1.018 2.859 0.000 0.000 0.000 3/19656 580.0 0.954 1.003 2.814 0.000 0.000 0.000 3/19656 590.0 0.940 0.987 2.771 0.000 0.000 0.000 3/19656 600.0 0.927 0.973 2.729 0.000 0.000 0.000 3/19656 610.0 0.914 0.959 2.688 0.000 0.000 0.000 3/19656 620.0 0.901 0.945 2.649 0.000 0.000 0.000 3/19656 630.0 0.889 0.932 2.611 0.000 0.000 0.000 3/19656 640.0 0.877 0.919 2.575 0.000 0.000 0.000 3/19656 650.0 0.865 0.906 2.539 0.000 0.000 0.000 3/19656 660.0 0.854 0.894 2.505 0.000 0.000 0.000 3/19656 670.0 0.844 0.883 2.471 0.000 0.000 0.000 3/19656 680.0 0.833 0.872 2.439 0.000 0.000 0.000 3/19656 690.0 0.823 0.861 2.408 0.000 0.000 0.000 3/19656 700.0 0.813 0.850 2.377 0.000 0.000 0.000 3/19656 710.0 0.804 0.840 2.348 0.000 0.000 0.000 3/19656 720.0 0.795 0.830 2.319 0.000 0.000 0.000 3/19656 730.0 0.786 0.820 2.291 0.000 0.000 0.000 3/19656 740.0 0.777 0.810 2.264 0.000 0.000 0.000 3/19656 750.0 0.768 0.801 2.237 0.000 0.000 0.000 3/19656 760.0 0.760 0.792 2.211 0.000 0.000 0.000 3/19656 770.0 0.752 0.783 2.186 0.000 0.000 0.000 3/19656 780.0 0.744 0.775 2.161 0.000 0.000 0.000 3/19656 790.0 0.736 0.767 2.138 0.000 0.000 0.000 3/19656 800.0 0.729 0.758 2.114 0.000 0.000 0.000 3/19656 810.0 0.722 0.751 2.091 0.000 0.000 0.000 3/19656 820.0 0.715 0.743 2.069 0.000 0.000 0.000 3/19656 830.0 0.708 0.735 2.048 0.000 0.000 0.000 3/19656 840.0 0.701 0.728 2.026 0.000 0.000 0.000 3/19656 850.0 0.694 0.721 2.006 0.000 0.000 0.000 3/19656 860.0 0.688 0.714 1.985 0.000 0.000 0.000 3/19656 870.0 0.681 0.707 1.966 0.000 0.000 0.000 3/19656 880.0 0.675 0.700 1.946 0.000 0.000 0.000 3/19656 890.0 0.669 0.693 1.927 0.000 0.000 0.000 3/19656 900.0 0.663 0.687 1.909 0.000 0.000 0.000 3/19656 910.0 0.657 0.681 1.890 0.000 0.000 0.000 3/19656 920.0 0.651 0.674 1.873 0.000 0.000 0.000 3/19656 930.0 0.646 0.668 1.855 0.000 0.000 0.000 3/19656 940.0 0.640 0.662 1.838 0.000 0.000 0.000 3/19656 950.0 0.635 0.657 1.821 0.000 0.000 0.000 3/19656 960.0 0.630 0.651 1.805 0.000 0.000 0.000 3/19656 970.0 0.625 0.645 1.789 0.000 0.000 0.000 3/19656 980.0 0.619 0.640 1.773 0.000 0.000 0.000 3/19656 990.0 0.614 0.634 1.757 0.000 0.000 0.000 3/19656 1000.0 0.610 0.629 1.742 0.000 0.000 0.000 3/19656 Thermal conductivity related properties were written into "kappa-m6613.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:47:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|