----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:40:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.665834275000000 2.665834275000000 4.720995450000000 b 2.665834275000000 -2.665834275000000 4.720995450000000 c 2.665834275000000 2.665834275000000 -4.720995450000000 Atomic positions (fractional): *1 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 2 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 *3 Cu 0.87500000000000 0.62500000000000 0.75000000000000 63.546 4 Cu 0.87500000000000 0.12500000000000 0.75000000000000 63.546 5 Cu 0.37500000000000 0.12500000000000 0.25000000000000 63.546 6 Cu 0.87500000000000 0.12500000000000 0.25000000000000 63.546 *7 O 0.65715206538676 0.12064408283866 0.86567859494210 15.999 8 O 0.49503451210344 0.45852652955534 0.36567859494210 15.999 9 O 0.87064408283866 0.50496548789656 0.96349201745190 15.999 10 O 0.20852652955534 0.34284793461324 0.46349201745190 15.999 11 O 0.54147347044466 0.90715206538676 0.03650798254810 15.999 12 O 0.87935591716134 0.74503451210344 0.53650798254810 15.999 13 O 0.25496548789656 0.79147347044466 0.13432140505790 15.999 14 O 0.09284793461324 0.12935591716134 0.63432140505790 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.331668550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.331668550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.441990900000000 Atomic positions (fractional): *1 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 1 2 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 2 3 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 1 4 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 2 *5 Cu 0.25000000000000 0.50000000000000 0.37500000000000 63.546 > 3 6 Cu 0.00000000000000 0.75000000000000 0.12500000000000 63.546 > 4 7 Cu 0.00000000000000 0.25000000000000 0.12500000000000 63.546 > 5 8 Cu 0.75000000000000 0.50000000000000 0.37500000000000 63.546 > 6 9 Cu 0.75000000000000 0.00000000000000 0.87500000000000 63.546 > 3 10 Cu 0.50000000000000 0.25000000000000 0.62500000000000 63.546 > 4 11 Cu 0.50000000000000 0.75000000000000 0.62500000000000 63.546 > 5 12 Cu 0.25000000000000 0.00000000000000 0.87500000000000 63.546 > 6 *13 O 0.66458530619700 0.20109328874510 0.45605877664166 15.999 > 7 14 O 0.16458530619700 0.20109328874510 0.29394122335834 15.999 > 8 15 O 0.29890671125490 0.66458530619700 0.20605877664166 15.999 > 9 16 O 0.29890671125490 0.16458530619700 0.04394122335834 15.999 > 10 17 O 0.70109328874510 0.33541469380300 0.20605877664166 15.999 > 11 18 O 0.70109328874510 0.83541469380300 0.04394122335834 15.999 > 12 19 O 0.33541469380300 0.79890671125490 0.45605877664166 15.999 > 13 20 O 0.83541469380300 0.79890671125490 0.29394122335834 15.999 > 14 21 O 0.16458530619700 0.70109328874510 0.95605877664166 15.999 > 7 22 O 0.66458530619700 0.70109328874510 0.79394122335834 15.999 > 8 23 O 0.79890671125490 0.16458530619700 0.70605877664166 15.999 > 9 24 O 0.79890671125490 0.66458530619700 0.54394122335834 15.999 > 10 25 O 0.20109328874510 0.83541469380300 0.70605877664166 15.999 > 11 26 O 0.20109328874510 0.33541469380300 0.54394122335834 15.999 > 12 27 O 0.83541469380300 0.29890671125490 0.95605877664166 15.999 > 13 28 O 0.33541469380300 0.29890671125490 0.79394122335834 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.663337100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.663337100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.441990900000000 Atomic positions (fractional): *1 Zn 0.25000000000000 0.00000000000000 0.25000000000000 65.380 > 1 2 Zn 0.75000000000000 0.00000000000000 0.25000000000000 65.380 > 1 3 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 1 4 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 1 5 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 2 6 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 2 7 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 2 8 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 2 9 Zn 0.00000000000000 0.25000000000000 0.75000000000000 65.380 > 1 10 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 1 11 Zn 0.00000000000000 0.75000000000000 0.75000000000000 65.380 > 1 12 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 1 13 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 2 14 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 2 15 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 2 16 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 2 *17 Cu 0.12500000000000 0.25000000000000 0.37500000000000 63.546 > 3 18 Cu 0.62500000000000 0.25000000000000 0.37500000000000 63.546 > 3 19 Cu 0.12500000000000 0.75000000000000 0.37500000000000 63.546 > 3 20 Cu 0.62500000000000 0.75000000000000 0.37500000000000 63.546 > 3 21 Cu 0.00000000000000 0.37500000000000 0.12500000000000 63.546 > 4 22 Cu 0.50000000000000 0.37500000000000 0.12500000000000 63.546 > 4 23 Cu 0.00000000000000 0.87500000000000 0.12500000000000 63.546 > 4 24 Cu 0.50000000000000 0.87500000000000 0.12500000000000 63.546 > 4 25 Cu 0.00000000000000 0.12500000000000 0.12500000000000 63.546 > 5 26 Cu 0.50000000000000 0.12500000000000 0.12500000000000 63.546 > 5 27 Cu 0.00000000000000 0.62500000000000 0.12500000000000 63.546 > 5 28 Cu 0.50000000000000 0.62500000000000 0.12500000000000 63.546 > 5 29 Cu 0.37500000000000 0.25000000000000 0.37500000000000 63.546 > 6 30 Cu 0.87500000000000 0.25000000000000 0.37500000000000 63.546 > 6 31 Cu 0.37500000000000 0.75000000000000 0.37500000000000 63.546 > 6 32 Cu 0.87500000000000 0.75000000000000 0.37500000000000 63.546 > 6 33 Cu 0.37500000000000 0.00000000000000 0.87500000000000 63.546 > 3 34 Cu 0.87500000000000 0.00000000000000 0.87500000000000 63.546 > 3 35 Cu 0.37500000000000 0.50000000000000 0.87500000000000 63.546 > 3 36 Cu 0.87500000000000 0.50000000000000 0.87500000000000 63.546 > 3 37 Cu 0.25000000000000 0.12500000000000 0.62500000000000 63.546 > 4 38 Cu 0.75000000000000 0.12500000000000 0.62500000000000 63.546 > 4 39 Cu 0.25000000000000 0.62500000000000 0.62500000000000 63.546 > 4 40 Cu 0.75000000000000 0.62500000000000 0.62500000000000 63.546 > 4 41 Cu 0.25000000000000 0.37500000000000 0.62500000000000 63.546 > 5 42 Cu 0.75000000000000 0.37500000000000 0.62500000000000 63.546 > 5 43 Cu 0.25000000000000 0.87500000000000 0.62500000000000 63.546 > 5 44 Cu 0.75000000000000 0.87500000000000 0.62500000000000 63.546 > 5 45 Cu 0.12500000000000 0.00000000000000 0.87500000000000 63.546 > 6 46 Cu 0.62500000000000 0.00000000000000 0.87500000000000 63.546 > 6 47 Cu 0.12500000000000 0.50000000000000 0.87500000000000 63.546 > 6 48 Cu 0.62500000000000 0.50000000000000 0.87500000000000 63.546 > 6 *49 O 0.33229265309850 0.10054664437255 0.45605877664166 15.999 > 7 50 O 0.83229265309850 0.10054664437255 0.45605877664166 15.999 > 7 51 O 0.33229265309850 0.60054664437255 0.45605877664166 15.999 > 7 52 O 0.83229265309850 0.60054664437255 0.45605877664166 15.999 > 7 53 O 0.08229265309850 0.10054664437255 0.29394122335834 15.999 > 8 54 O 0.58229265309850 0.10054664437255 0.29394122335834 15.999 > 8 55 O 0.08229265309850 0.60054664437255 0.29394122335834 15.999 > 8 56 O 0.58229265309850 0.60054664437255 0.29394122335834 15.999 > 8 57 O 0.14945335562745 0.33229265309850 0.20605877664166 15.999 > 9 58 O 0.64945335562745 0.33229265309850 0.20605877664166 15.999 > 9 59 O 0.14945335562745 0.83229265309850 0.20605877664166 15.999 > 9 60 O 0.64945335562745 0.83229265309850 0.20605877664166 15.999 > 9 61 O 0.14945335562745 0.08229265309850 0.04394122335834 15.999 > 10 62 O 0.64945335562745 0.08229265309850 0.04394122335834 15.999 > 10 63 O 0.14945335562745 0.58229265309850 0.04394122335834 15.999 > 10 64 O 0.64945335562745 0.58229265309850 0.04394122335834 15.999 > 10 65 O 0.35054664437255 0.16770734690150 0.20605877664166 15.999 > 11 66 O 0.85054664437255 0.16770734690150 0.20605877664166 15.999 > 11 67 O 0.35054664437255 0.66770734690150 0.20605877664166 15.999 > 11 68 O 0.85054664437255 0.66770734690150 0.20605877664166 15.999 > 11 69 O 0.35054664437255 0.41770734690150 0.04394122335834 15.999 > 12 70 O 0.85054664437255 0.41770734690150 0.04394122335834 15.999 > 12 71 O 0.35054664437255 0.91770734690150 0.04394122335834 15.999 > 12 72 O 0.85054664437255 0.91770734690150 0.04394122335834 15.999 > 12 73 O 0.16770734690150 0.39945335562745 0.45605877664166 15.999 > 13 74 O 0.66770734690150 0.39945335562745 0.45605877664166 15.999 > 13 75 O 0.16770734690150 0.89945335562745 0.45605877664166 15.999 > 13 76 O 0.66770734690150 0.89945335562745 0.45605877664166 15.999 > 13 77 O 0.41770734690150 0.39945335562745 0.29394122335834 15.999 > 14 78 O 0.91770734690150 0.39945335562745 0.29394122335834 15.999 > 14 79 O 0.41770734690150 0.89945335562745 0.29394122335834 15.999 > 14 80 O 0.91770734690150 0.89945335562745 0.29394122335834 15.999 > 14 81 O 0.08229265309850 0.35054664437255 0.95605877664166 15.999 > 7 82 O 0.58229265309850 0.35054664437255 0.95605877664166 15.999 > 7 83 O 0.08229265309850 0.85054664437255 0.95605877664166 15.999 > 7 84 O 0.58229265309850 0.85054664437255 0.95605877664166 15.999 > 7 85 O 0.33229265309850 0.35054664437255 0.79394122335834 15.999 > 8 86 O 0.83229265309850 0.35054664437255 0.79394122335834 15.999 > 8 87 O 0.33229265309850 0.85054664437255 0.79394122335834 15.999 > 8 88 O 0.83229265309850 0.85054664437255 0.79394122335834 15.999 > 8 89 O 0.39945335562745 0.08229265309850 0.70605877664166 15.999 > 9 90 O 0.89945335562745 0.08229265309850 0.70605877664166 15.999 > 9 91 O 0.39945335562745 0.58229265309850 0.70605877664166 15.999 > 9 92 O 0.89945335562745 0.58229265309850 0.70605877664166 15.999 > 9 93 O 0.39945335562745 0.33229265309850 0.54394122335834 15.999 > 10 94 O 0.89945335562745 0.33229265309850 0.54394122335834 15.999 > 10 95 O 0.39945335562745 0.83229265309850 0.54394122335834 15.999 > 10 96 O 0.89945335562745 0.83229265309850 0.54394122335834 15.999 > 10 97 O 0.10054664437255 0.41770734690150 0.70605877664166 15.999 > 11 98 O 0.60054664437255 0.41770734690150 0.70605877664166 15.999 > 11 99 O 0.10054664437255 0.91770734690150 0.70605877664166 15.999 > 11 100 O 0.60054664437255 0.91770734690150 0.70605877664166 15.999 > 11 101 O 0.10054664437255 0.16770734690150 0.54394122335834 15.999 > 12 102 O 0.60054664437255 0.16770734690150 0.54394122335834 15.999 > 12 103 O 0.10054664437255 0.66770734690150 0.54394122335834 15.999 > 12 104 O 0.60054664437255 0.66770734690150 0.54394122335834 15.999 > 12 105 O 0.41770734690150 0.14945335562745 0.95605877664166 15.999 > 13 106 O 0.91770734690150 0.14945335562745 0.95605877664166 15.999 > 13 107 O 0.41770734690150 0.64945335562745 0.95605877664166 15.999 > 13 108 O 0.91770734690150 0.64945335562745 0.95605877664166 15.999 > 13 109 O 0.16770734690150 0.14945335562745 0.79394122335834 15.999 > 14 110 O 0.66770734690150 0.14945335562745 0.79394122335834 15.999 > 14 111 O 0.16770734690150 0.64945335562745 0.79394122335834 15.999 > 14 112 O 0.66770734690150 0.64945335562745 0.79394122335834 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.5809909 -0.0000034 0.0000000 0.0000034 12.5809909 0.0000000 0.0000000 0.0000000 17.1918990 -------------------------- Born effective charges -------------------------- 1 Zn 2.7374527 -0.0283355 0.0000000 0.0283355 2.7374527 0.0000000 0.0000000 0.0000000 2.5292196 2 Zn 2.7374527 -0.0283355 0.0000000 0.0283355 2.7374527 0.0000000 0.0000000 0.0000000 2.5292196 3 Cu 0.5613449 0.3587521 0.0698337 0.2663206 1.8015690 -0.0226530 0.0604573 0.6313211 1.2437332 4 Cu 1.8015690 -0.2663206 -0.0226530 -0.3587521 0.5613449 -0.0698337 0.6313211 -0.0604573 1.2437332 5 Cu 1.8015690 -0.2663206 0.0226530 -0.3587521 0.5613449 0.0698337 -0.6313211 0.0604573 1.2437332 6 Cu 0.5613449 0.3587521 -0.0698337 0.2663206 1.8015690 0.0226530 -0.0604573 -0.6313211 1.2437332 7 O -1.0788323 -0.2191623 0.4163913 -0.1871143 -1.4713510 0.5123173 0.3244652 0.4222023 -1.2541715 8 O -1.0788323 -0.2191623 -0.4163913 -0.1871143 -1.4713510 -0.5123173 -0.3244652 -0.4222023 -1.2541715 9 O -1.4713510 0.1871143 -0.5123173 0.2191623 -1.0788323 0.4163913 -0.4222023 0.3244652 -1.2541715 10 O -1.4713510 0.1871143 0.5123173 0.2191623 -1.0788323 -0.4163913 0.4222023 -0.3244652 -1.2541715 11 O -1.4713510 0.1871143 0.5123173 0.2191623 -1.0788323 -0.4163913 0.4222023 -0.3244652 -1.2541715 12 O -1.4713510 0.1871143 -0.5123173 0.2191623 -1.0788323 0.4163913 -0.4222023 0.3244652 -1.2541715 13 O -1.0788323 -0.2191623 -0.4163913 -0.1871143 -1.4713510 -0.5123173 -0.3244652 -0.4222023 -1.2541715 14 O -1.0788323 -0.2191623 0.4163913 -0.1871143 -1.4713510 0.5123173 0.3244652 0.4222023 -1.2541715 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 944 Number of blocks in projector: 944 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 118 Use standard eigh solver. Tree of FC basis block matrices: - (944, 924), data: False |-- (118, 115), data: True |-- (198, 194), data: True |-- (234, 229), data: True |-- (394, 386), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.032 Solver_block: 200 / 240 - Time: 1.002 Solver_block: 240 / 240 - Time: 0.466 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.517 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 944 Number of blocks in projector: 944 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 118 Use standard eigh solver. Tree of FC basis block matrices: - (944, 924), data: False |-- (118, 115), data: True |-- (198, 194), data: True |-- (234, 229), data: True |-- (394, 386), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 22:40:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:40:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.665834275000000 2.665834275000000 4.720995450000000 b 2.665834275000000 -2.665834275000000 4.720995450000000 c 2.665834275000000 2.665834275000000 -4.720995450000000 Atomic positions (fractional): 1 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 2 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 3 Cu 0.87500000000000 0.62500000000000 0.75000000000000 63.546 4 Cu 0.87500000000000 0.12500000000000 0.75000000000000 63.546 5 Cu 0.37500000000000 0.12500000000000 0.25000000000000 63.546 6 Cu 0.87500000000000 0.12500000000000 0.25000000000000 63.546 7 O 0.65715206538676 0.12064408283866 0.86567859494210 15.999 8 O 0.49503451210344 0.45852652955534 0.36567859494210 15.999 9 O 0.87064408283866 0.50496548789656 0.96349201745190 15.999 10 O 0.20852652955534 0.34284793461324 0.46349201745190 15.999 11 O 0.54147347044466 0.90715206538676 0.03650798254810 15.999 12 O 0.87935591716134 0.74503451210344 0.53650798254810 15.999 13 O 0.25496548789656 0.79147347044466 0.13432140505790 15.999 14 O 0.09284793461324 0.12935591716134 0.63432140505790 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.663337100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.663337100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.441990900000000 Atomic positions (fractional): 1 Zn 0.25000000000000 0.00000000000000 0.25000000000000 65.380 > 1 2 Zn 0.75000000000000 0.00000000000000 0.25000000000000 65.380 > 1 3 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 1 4 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 1 5 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 5 6 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 5 7 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 5 8 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 5 9 Zn 0.00000000000000 0.25000000000000 0.75000000000000 65.380 > 1 10 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 1 11 Zn 0.00000000000000 0.75000000000000 0.75000000000000 65.380 > 1 12 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 1 13 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 5 14 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 5 15 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 5 16 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 5 17 Cu 0.12500000000000 0.25000000000000 0.37500000000000 63.546 > 17 18 Cu 0.62500000000000 0.25000000000000 0.37500000000000 63.546 > 17 19 Cu 0.12500000000000 0.75000000000000 0.37500000000000 63.546 > 17 20 Cu 0.62500000000000 0.75000000000000 0.37500000000000 63.546 > 17 21 Cu 0.00000000000000 0.37500000000000 0.12500000000000 63.546 > 21 22 Cu 0.50000000000000 0.37500000000000 0.12500000000000 63.546 > 21 23 Cu 0.00000000000000 0.87500000000000 0.12500000000000 63.546 > 21 24 Cu 0.50000000000000 0.87500000000000 0.12500000000000 63.546 > 21 25 Cu 0.00000000000000 0.12500000000000 0.12500000000000 63.546 > 25 26 Cu 0.50000000000000 0.12500000000000 0.12500000000000 63.546 > 25 27 Cu 0.00000000000000 0.62500000000000 0.12500000000000 63.546 > 25 28 Cu 0.50000000000000 0.62500000000000 0.12500000000000 63.546 > 25 29 Cu 0.37500000000000 0.25000000000000 0.37500000000000 63.546 > 29 30 Cu 0.87500000000000 0.25000000000000 0.37500000000000 63.546 > 29 31 Cu 0.37500000000000 0.75000000000000 0.37500000000000 63.546 > 29 32 Cu 0.87500000000000 0.75000000000000 0.37500000000000 63.546 > 29 33 Cu 0.37500000000000 0.00000000000000 0.87500000000000 63.546 > 17 34 Cu 0.87500000000000 0.00000000000000 0.87500000000000 63.546 > 17 35 Cu 0.37500000000000 0.50000000000000 0.87500000000000 63.546 > 17 36 Cu 0.87500000000000 0.50000000000000 0.87500000000000 63.546 > 17 37 Cu 0.25000000000000 0.12500000000000 0.62500000000000 63.546 > 21 38 Cu 0.75000000000000 0.12500000000000 0.62500000000000 63.546 > 21 39 Cu 0.25000000000000 0.62500000000000 0.62500000000000 63.546 > 21 40 Cu 0.75000000000000 0.62500000000000 0.62500000000000 63.546 > 21 41 Cu 0.25000000000000 0.37500000000000 0.62500000000000 63.546 > 25 42 Cu 0.75000000000000 0.37500000000000 0.62500000000000 63.546 > 25 43 Cu 0.25000000000000 0.87500000000000 0.62500000000000 63.546 > 25 44 Cu 0.75000000000000 0.87500000000000 0.62500000000000 63.546 > 25 45 Cu 0.12500000000000 0.00000000000000 0.87500000000000 63.546 > 29 46 Cu 0.62500000000000 0.00000000000000 0.87500000000000 63.546 > 29 47 Cu 0.12500000000000 0.50000000000000 0.87500000000000 63.546 > 29 48 Cu 0.62500000000000 0.50000000000000 0.87500000000000 63.546 > 29 49 O 0.33229265309850 0.10054664437255 0.45605877664166 15.999 > 49 50 O 0.83229265309850 0.10054664437255 0.45605877664166 15.999 > 49 51 O 0.33229265309850 0.60054664437255 0.45605877664166 15.999 > 49 52 O 0.83229265309850 0.60054664437255 0.45605877664166 15.999 > 49 53 O 0.08229265309850 0.10054664437255 0.29394122335834 15.999 > 53 54 O 0.58229265309850 0.10054664437255 0.29394122335834 15.999 > 53 55 O 0.08229265309850 0.60054664437255 0.29394122335834 15.999 > 53 56 O 0.58229265309850 0.60054664437255 0.29394122335834 15.999 > 53 57 O 0.14945335562745 0.33229265309850 0.20605877664166 15.999 > 57 58 O 0.64945335562745 0.33229265309850 0.20605877664166 15.999 > 57 59 O 0.14945335562745 0.83229265309850 0.20605877664166 15.999 > 57 60 O 0.64945335562745 0.83229265309850 0.20605877664166 15.999 > 57 61 O 0.14945335562745 0.08229265309850 0.04394122335834 15.999 > 61 62 O 0.64945335562745 0.08229265309850 0.04394122335834 15.999 > 61 63 O 0.14945335562745 0.58229265309850 0.04394122335834 15.999 > 61 64 O 0.64945335562745 0.58229265309850 0.04394122335834 15.999 > 61 65 O 0.35054664437255 0.16770734690150 0.20605877664166 15.999 > 65 66 O 0.85054664437255 0.16770734690150 0.20605877664166 15.999 > 65 67 O 0.35054664437255 0.66770734690150 0.20605877664166 15.999 > 65 68 O 0.85054664437255 0.66770734690150 0.20605877664166 15.999 > 65 69 O 0.35054664437255 0.41770734690150 0.04394122335834 15.999 > 69 70 O 0.85054664437255 0.41770734690150 0.04394122335834 15.999 > 69 71 O 0.35054664437255 0.91770734690150 0.04394122335834 15.999 > 69 72 O 0.85054664437255 0.91770734690150 0.04394122335834 15.999 > 69 73 O 0.16770734690150 0.39945335562745 0.45605877664166 15.999 > 73 74 O 0.66770734690150 0.39945335562745 0.45605877664166 15.999 > 73 75 O 0.16770734690150 0.89945335562745 0.45605877664166 15.999 > 73 76 O 0.66770734690150 0.89945335562745 0.45605877664166 15.999 > 73 77 O 0.41770734690150 0.39945335562745 0.29394122335834 15.999 > 77 78 O 0.91770734690150 0.39945335562745 0.29394122335834 15.999 > 77 79 O 0.41770734690150 0.89945335562745 0.29394122335834 15.999 > 77 80 O 0.91770734690150 0.89945335562745 0.29394122335834 15.999 > 77 81 O 0.08229265309850 0.35054664437255 0.95605877664166 15.999 > 49 82 O 0.58229265309850 0.35054664437255 0.95605877664166 15.999 > 49 83 O 0.08229265309850 0.85054664437255 0.95605877664166 15.999 > 49 84 O 0.58229265309850 0.85054664437255 0.95605877664166 15.999 > 49 85 O 0.33229265309850 0.35054664437255 0.79394122335834 15.999 > 53 86 O 0.83229265309850 0.35054664437255 0.79394122335834 15.999 > 53 87 O 0.33229265309850 0.85054664437255 0.79394122335834 15.999 > 53 88 O 0.83229265309850 0.85054664437255 0.79394122335834 15.999 > 53 89 O 0.39945335562745 0.08229265309850 0.70605877664166 15.999 > 57 90 O 0.89945335562745 0.08229265309850 0.70605877664166 15.999 > 57 91 O 0.39945335562745 0.58229265309850 0.70605877664166 15.999 > 57 92 O 0.89945335562745 0.58229265309850 0.70605877664166 15.999 > 57 93 O 0.39945335562745 0.33229265309850 0.54394122335834 15.999 > 61 94 O 0.89945335562745 0.33229265309850 0.54394122335834 15.999 > 61 95 O 0.39945335562745 0.83229265309850 0.54394122335834 15.999 > 61 96 O 0.89945335562745 0.83229265309850 0.54394122335834 15.999 > 61 97 O 0.10054664437255 0.41770734690150 0.70605877664166 15.999 > 65 98 O 0.60054664437255 0.41770734690150 0.70605877664166 15.999 > 65 99 O 0.10054664437255 0.91770734690150 0.70605877664166 15.999 > 65 100 O 0.60054664437255 0.91770734690150 0.70605877664166 15.999 > 65 101 O 0.10054664437255 0.16770734690150 0.54394122335834 15.999 > 69 102 O 0.60054664437255 0.16770734690150 0.54394122335834 15.999 > 69 103 O 0.10054664437255 0.66770734690150 0.54394122335834 15.999 > 69 104 O 0.60054664437255 0.66770734690150 0.54394122335834 15.999 > 69 105 O 0.41770734690150 0.14945335562745 0.95605877664166 15.999 > 73 106 O 0.91770734690150 0.14945335562745 0.95605877664166 15.999 > 73 107 O 0.41770734690150 0.64945335562745 0.95605877664166 15.999 > 73 108 O 0.91770734690150 0.64945335562745 0.95605877664166 15.999 > 73 109 O 0.16770734690150 0.14945335562745 0.79394122335834 15.999 > 77 110 O 0.66770734690150 0.14945335562745 0.79394122335834 15.999 > 77 111 O 0.16770734690150 0.64945335562745 0.79394122335834 15.999 > 77 112 O 0.66770734690150 0.64945335562745 0.79394122335834 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.5809909 -0.0000034 0.0000000 0.0000034 12.5809909 0.0000000 0.0000000 0.0000000 17.1918990 -------------------------- Born effective charges -------------------------- 1 Zn 2.7374527 -0.0283355 0.0000000 0.0283355 2.7374527 0.0000000 0.0000000 0.0000000 2.5292196 2 Zn 2.7374527 -0.0283355 0.0000000 0.0283355 2.7374527 0.0000000 0.0000000 0.0000000 2.5292196 3 Cu 0.5613449 0.3587521 0.0698337 0.2663206 1.8015690 -0.0226530 0.0604573 0.6313211 1.2437332 4 Cu 1.8015690 -0.2663206 -0.0226530 -0.3587521 0.5613449 -0.0698337 0.6313211 -0.0604573 1.2437332 5 Cu 1.8015690 -0.2663206 0.0226530 -0.3587521 0.5613449 0.0698337 -0.6313211 0.0604573 1.2437332 6 Cu 0.5613449 0.3587521 -0.0698337 0.2663206 1.8015690 0.0226530 -0.0604573 -0.6313211 1.2437332 7 O -1.0788323 -0.2191623 0.4163913 -0.1871143 -1.4713510 0.5123173 0.3244652 0.4222023 -1.2541715 8 O -1.0788323 -0.2191623 -0.4163913 -0.1871143 -1.4713510 -0.5123173 -0.3244652 -0.4222023 -1.2541715 9 O -1.4713510 0.1871143 -0.5123173 0.2191623 -1.0788323 0.4163913 -0.4222023 0.3244652 -1.2541715 10 O -1.4713510 0.1871143 0.5123173 0.2191623 -1.0788323 -0.4163913 0.4222023 -0.3244652 -1.2541715 11 O -1.4713510 0.1871143 0.5123173 0.2191623 -1.0788323 -0.4163913 0.4222023 -0.3244652 -1.2541715 12 O -1.4713510 0.1871143 -0.5123173 0.2191623 -1.0788323 0.4163913 -0.4222023 0.3244652 -1.2541715 13 O -1.0788323 -0.2191623 -0.4163913 -0.1871143 -1.4713510 -0.5123173 -0.3244652 -0.4222023 -1.2541715 14 O -1.0788323 -0.2191623 0.4163913 -0.1871143 -1.4713510 0.5123173 0.3244652 0.4222023 -1.2541715 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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: 0.00000002 (xy) 0.00000002 (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 22:40:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:41:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.665834275000000 2.665834275000000 4.720995450000000 b 2.665834275000000 -2.665834275000000 4.720995450000000 c 2.665834275000000 2.665834275000000 -4.720995450000000 Atomic positions (fractional): 1 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 2 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 3 Cu 0.87500000000000 0.62500000000000 0.75000000000000 63.546 4 Cu 0.87500000000000 0.12500000000000 0.75000000000000 63.546 5 Cu 0.37500000000000 0.12500000000000 0.25000000000000 63.546 6 Cu 0.87500000000000 0.12500000000000 0.25000000000000 63.546 7 O 0.65715206538676 0.12064408283866 0.86567859494210 15.999 8 O 0.49503451210344 0.45852652955534 0.36567859494210 15.999 9 O 0.87064408283866 0.50496548789656 0.96349201745190 15.999 10 O 0.20852652955534 0.34284793461324 0.46349201745190 15.999 11 O 0.54147347044466 0.90715206538676 0.03650798254810 15.999 12 O 0.87935591716134 0.74503451210344 0.53650798254810 15.999 13 O 0.25496548789656 0.79147347044466 0.13432140505790 15.999 14 O 0.09284793461324 0.12935591716134 0.63432140505790 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.663337100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.663337100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.441990900000000 Atomic positions (fractional): 1 Zn 0.25000000000000 0.00000000000000 0.25000000000000 65.380 > 1 2 Zn 0.75000000000000 0.00000000000000 0.25000000000000 65.380 > 1 3 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 1 4 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 1 5 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 5 6 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 5 7 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 5 8 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 5 9 Zn 0.00000000000000 0.25000000000000 0.75000000000000 65.380 > 1 10 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 1 11 Zn 0.00000000000000 0.75000000000000 0.75000000000000 65.380 > 1 12 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 1 13 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 5 14 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 5 15 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 5 16 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 5 17 Cu 0.12500000000000 0.25000000000000 0.37500000000000 63.546 > 17 18 Cu 0.62500000000000 0.25000000000000 0.37500000000000 63.546 > 17 19 Cu 0.12500000000000 0.75000000000000 0.37500000000000 63.546 > 17 20 Cu 0.62500000000000 0.75000000000000 0.37500000000000 63.546 > 17 21 Cu 0.00000000000000 0.37500000000000 0.12500000000000 63.546 > 21 22 Cu 0.50000000000000 0.37500000000000 0.12500000000000 63.546 > 21 23 Cu 0.00000000000000 0.87500000000000 0.12500000000000 63.546 > 21 24 Cu 0.50000000000000 0.87500000000000 0.12500000000000 63.546 > 21 25 Cu 0.00000000000000 0.12500000000000 0.12500000000000 63.546 > 25 26 Cu 0.50000000000000 0.12500000000000 0.12500000000000 63.546 > 25 27 Cu 0.00000000000000 0.62500000000000 0.12500000000000 63.546 > 25 28 Cu 0.50000000000000 0.62500000000000 0.12500000000000 63.546 > 25 29 Cu 0.37500000000000 0.25000000000000 0.37500000000000 63.546 > 29 30 Cu 0.87500000000000 0.25000000000000 0.37500000000000 63.546 > 29 31 Cu 0.37500000000000 0.75000000000000 0.37500000000000 63.546 > 29 32 Cu 0.87500000000000 0.75000000000000 0.37500000000000 63.546 > 29 33 Cu 0.37500000000000 0.00000000000000 0.87500000000000 63.546 > 17 34 Cu 0.87500000000000 0.00000000000000 0.87500000000000 63.546 > 17 35 Cu 0.37500000000000 0.50000000000000 0.87500000000000 63.546 > 17 36 Cu 0.87500000000000 0.50000000000000 0.87500000000000 63.546 > 17 37 Cu 0.25000000000000 0.12500000000000 0.62500000000000 63.546 > 21 38 Cu 0.75000000000000 0.12500000000000 0.62500000000000 63.546 > 21 39 Cu 0.25000000000000 0.62500000000000 0.62500000000000 63.546 > 21 40 Cu 0.75000000000000 0.62500000000000 0.62500000000000 63.546 > 21 41 Cu 0.25000000000000 0.37500000000000 0.62500000000000 63.546 > 25 42 Cu 0.75000000000000 0.37500000000000 0.62500000000000 63.546 > 25 43 Cu 0.25000000000000 0.87500000000000 0.62500000000000 63.546 > 25 44 Cu 0.75000000000000 0.87500000000000 0.62500000000000 63.546 > 25 45 Cu 0.12500000000000 0.00000000000000 0.87500000000000 63.546 > 29 46 Cu 0.62500000000000 0.00000000000000 0.87500000000000 63.546 > 29 47 Cu 0.12500000000000 0.50000000000000 0.87500000000000 63.546 > 29 48 Cu 0.62500000000000 0.50000000000000 0.87500000000000 63.546 > 29 49 O 0.33229265309850 0.10054664437255 0.45605877664166 15.999 > 49 50 O 0.83229265309850 0.10054664437255 0.45605877664166 15.999 > 49 51 O 0.33229265309850 0.60054664437255 0.45605877664166 15.999 > 49 52 O 0.83229265309850 0.60054664437255 0.45605877664166 15.999 > 49 53 O 0.08229265309850 0.10054664437255 0.29394122335834 15.999 > 53 54 O 0.58229265309850 0.10054664437255 0.29394122335834 15.999 > 53 55 O 0.08229265309850 0.60054664437255 0.29394122335834 15.999 > 53 56 O 0.58229265309850 0.60054664437255 0.29394122335834 15.999 > 53 57 O 0.14945335562745 0.33229265309850 0.20605877664166 15.999 > 57 58 O 0.64945335562745 0.33229265309850 0.20605877664166 15.999 > 57 59 O 0.14945335562745 0.83229265309850 0.20605877664166 15.999 > 57 60 O 0.64945335562745 0.83229265309850 0.20605877664166 15.999 > 57 61 O 0.14945335562745 0.08229265309850 0.04394122335834 15.999 > 61 62 O 0.64945335562745 0.08229265309850 0.04394122335834 15.999 > 61 63 O 0.14945335562745 0.58229265309850 0.04394122335834 15.999 > 61 64 O 0.64945335562745 0.58229265309850 0.04394122335834 15.999 > 61 65 O 0.35054664437255 0.16770734690150 0.20605877664166 15.999 > 65 66 O 0.85054664437255 0.16770734690150 0.20605877664166 15.999 > 65 67 O 0.35054664437255 0.66770734690150 0.20605877664166 15.999 > 65 68 O 0.85054664437255 0.66770734690150 0.20605877664166 15.999 > 65 69 O 0.35054664437255 0.41770734690150 0.04394122335834 15.999 > 69 70 O 0.85054664437255 0.41770734690150 0.04394122335834 15.999 > 69 71 O 0.35054664437255 0.91770734690150 0.04394122335834 15.999 > 69 72 O 0.85054664437255 0.91770734690150 0.04394122335834 15.999 > 69 73 O 0.16770734690150 0.39945335562745 0.45605877664166 15.999 > 73 74 O 0.66770734690150 0.39945335562745 0.45605877664166 15.999 > 73 75 O 0.16770734690150 0.89945335562745 0.45605877664166 15.999 > 73 76 O 0.66770734690150 0.89945335562745 0.45605877664166 15.999 > 73 77 O 0.41770734690150 0.39945335562745 0.29394122335834 15.999 > 77 78 O 0.91770734690150 0.39945335562745 0.29394122335834 15.999 > 77 79 O 0.41770734690150 0.89945335562745 0.29394122335834 15.999 > 77 80 O 0.91770734690150 0.89945335562745 0.29394122335834 15.999 > 77 81 O 0.08229265309850 0.35054664437255 0.95605877664166 15.999 > 49 82 O 0.58229265309850 0.35054664437255 0.95605877664166 15.999 > 49 83 O 0.08229265309850 0.85054664437255 0.95605877664166 15.999 > 49 84 O 0.58229265309850 0.85054664437255 0.95605877664166 15.999 > 49 85 O 0.33229265309850 0.35054664437255 0.79394122335834 15.999 > 53 86 O 0.83229265309850 0.35054664437255 0.79394122335834 15.999 > 53 87 O 0.33229265309850 0.85054664437255 0.79394122335834 15.999 > 53 88 O 0.83229265309850 0.85054664437255 0.79394122335834 15.999 > 53 89 O 0.39945335562745 0.08229265309850 0.70605877664166 15.999 > 57 90 O 0.89945335562745 0.08229265309850 0.70605877664166 15.999 > 57 91 O 0.39945335562745 0.58229265309850 0.70605877664166 15.999 > 57 92 O 0.89945335562745 0.58229265309850 0.70605877664166 15.999 > 57 93 O 0.39945335562745 0.33229265309850 0.54394122335834 15.999 > 61 94 O 0.89945335562745 0.33229265309850 0.54394122335834 15.999 > 61 95 O 0.39945335562745 0.83229265309850 0.54394122335834 15.999 > 61 96 O 0.89945335562745 0.83229265309850 0.54394122335834 15.999 > 61 97 O 0.10054664437255 0.41770734690150 0.70605877664166 15.999 > 65 98 O 0.60054664437255 0.41770734690150 0.70605877664166 15.999 > 65 99 O 0.10054664437255 0.91770734690150 0.70605877664166 15.999 > 65 100 O 0.60054664437255 0.91770734690150 0.70605877664166 15.999 > 65 101 O 0.10054664437255 0.16770734690150 0.54394122335834 15.999 > 69 102 O 0.60054664437255 0.16770734690150 0.54394122335834 15.999 > 69 103 O 0.10054664437255 0.66770734690150 0.54394122335834 15.999 > 69 104 O 0.60054664437255 0.66770734690150 0.54394122335834 15.999 > 69 105 O 0.41770734690150 0.14945335562745 0.95605877664166 15.999 > 73 106 O 0.91770734690150 0.14945335562745 0.95605877664166 15.999 > 73 107 O 0.41770734690150 0.64945335562745 0.95605877664166 15.999 > 73 108 O 0.91770734690150 0.64945335562745 0.95605877664166 15.999 > 73 109 O 0.16770734690150 0.14945335562745 0.79394122335834 15.999 > 77 110 O 0.66770734690150 0.14945335562745 0.79394122335834 15.999 > 77 111 O 0.16770734690150 0.64945335562745 0.79394122335834 15.999 > 77 112 O 0.66770734690150 0.64945335562745 0.79394122335834 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.5809909 -0.0000034 0.0000000 0.0000034 12.5809909 0.0000000 0.0000000 0.0000000 17.1918990 -------------------------- Born effective charges -------------------------- 1 Zn 2.7374527 -0.0283355 0.0000000 0.0283355 2.7374527 0.0000000 0.0000000 0.0000000 2.5292196 2 Zn 2.7374527 -0.0283355 0.0000000 0.0283355 2.7374527 0.0000000 0.0000000 0.0000000 2.5292196 3 Cu 0.5613449 0.3587521 0.0698337 0.2663206 1.8015690 -0.0226530 0.0604573 0.6313211 1.2437332 4 Cu 1.8015690 -0.2663206 -0.0226530 -0.3587521 0.5613449 -0.0698337 0.6313211 -0.0604573 1.2437332 5 Cu 1.8015690 -0.2663206 0.0226530 -0.3587521 0.5613449 0.0698337 -0.6313211 0.0604573 1.2437332 6 Cu 0.5613449 0.3587521 -0.0698337 0.2663206 1.8015690 0.0226530 -0.0604573 -0.6313211 1.2437332 7 O -1.0788323 -0.2191623 0.4163913 -0.1871143 -1.4713510 0.5123173 0.3244652 0.4222023 -1.2541715 8 O -1.0788323 -0.2191623 -0.4163913 -0.1871143 -1.4713510 -0.5123173 -0.3244652 -0.4222023 -1.2541715 9 O -1.4713510 0.1871143 -0.5123173 0.2191623 -1.0788323 0.4163913 -0.4222023 0.3244652 -1.2541715 10 O -1.4713510 0.1871143 0.5123173 0.2191623 -1.0788323 -0.4163913 0.4222023 -0.3244652 -1.2541715 11 O -1.4713510 0.1871143 0.5123173 0.2191623 -1.0788323 -0.4163913 0.4222023 -0.3244652 -1.2541715 12 O -1.4713510 0.1871143 -0.5123173 0.2191623 -1.0788323 0.4163913 -0.4222023 0.3244652 -1.2541715 13 O -1.0788323 -0.2191623 -0.4163913 -0.1871143 -1.4713510 -0.5123173 -0.3244652 -0.4222023 -1.2541715 14 O -1.0788323 -0.2191623 0.4163913 -0.1871143 -1.4713510 0.5123173 0.3244652 0.4222023 -1.2541715 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- 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 ... Generalized regular grid: [ 1 9 90 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 5 5 0 ] 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: 0.81, Number of G-points: 291, Lambda: 0.32 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.799 ( 0.000 -0.000 0.000) 0.000 2.459 ( -0.000 0.000 0.000) 0.000 4.861 ( -0.000 0.000 -0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 -0.000 -0.000) 0.000 4.953 ( 0.000 0.000 -0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.342 ( -0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.032 ( -0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 7.870 ( -0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 8.625 ( -0.000 0.000 -0.000) 0.000 8.625 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 -0.000) 0.000 10.620 ( 0.000 0.000 -0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 11.812 ( -0.000 -0.000 0.000) 0.000 11.997 ( 0.000 0.000 -0.000) 0.000 14.349 ( 0.000 0.000 0.000) 0.000 14.538 ( 0.000 0.000 0.000) 0.000 14.538 ( 0.000 0.000 0.000) 0.000 15.264 ( 0.000 0.000 0.000) 0.000 16.494 ( 0.000 0.000 -0.000) 0.000 16.735 ( 0.000 0.000 0.000) 0.000 16.958 ( -0.000 0.000 0.000) 0.000 16.958 ( 0.000 0.000 0.000) 0.000 17.479 ( 0.000 0.000 0.000) 0.000 17.632 ( 0.000 0.000 0.000) 0.000 17.632 ( 0.000 0.000 -0.000) 0.000 19.474 ( 0.000 -0.000 -0.000) 0.000 19.892 ( 0.000 0.000 -0.000) 0.000 19.892 ( -0.000 0.000 -0.000) 0.000 19.967 ( 0.000 0.000 0.000) 0.000 20.748 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 12.189 11.896 0.000) 17.032 1.021 ( 36.003 11.773 0.000) 37.879 1.048 ( 14.696 14.462 0.000) 20.619 1.633 ( 28.693 41.731 0.000) 50.644 2.422 ( -0.021 0.599 0.000) 0.599 4.542 ( -10.533 -11.942 -0.000) 15.923 4.835 ( -2.236 -0.311 -0.000) 2.258 4.933 ( -13.183 1.917 -0.000) 13.322 5.036 ( 6.387 -6.618 0.000) 9.198 5.077 ( -2.116 -1.049 -0.000) 2.362 5.617 ( 9.765 8.758 0.000) 13.117 5.932 ( -3.641 -5.279 -0.000) 6.413 6.216 ( -1.792 -1.125 -0.000) 2.115 6.259 ( -0.372 -1.749 -0.000) 1.788 6.475 ( -3.496 -3.608 -0.000) 5.024 6.715 ( 3.842 5.011 0.000) 6.314 7.812 ( -6.973 0.327 -0.000) 6.980 8.074 ( 9.008 0.527 0.000) 9.023 8.577 ( 0.205 -5.285 -0.000) 5.289 8.786 ( 4.262 9.063 0.000) 10.015 9.410 ( 9.148 9.734 0.000) 13.358 10.558 ( -2.548 -3.045 -0.000) 3.970 10.776 ( -2.365 -2.227 -0.000) 3.249 10.921 ( -2.792 -2.077 -0.000) 3.480 11.646 ( -8.297 -6.566 -0.000) 10.581 11.969 ( -0.582 -1.775 -0.000) 1.868 14.216 ( -6.735 -5.378 -0.000) 8.619 14.353 ( -10.035 -6.395 -0.000) 11.899 14.673 ( 8.479 3.763 0.000) 9.277 15.121 ( -4.865 -7.334 -0.000) 8.801 16.494 ( -1.819 0.012 -0.000) 1.819 16.636 ( -4.833 -0.468 -0.000) 4.856 17.142 ( 0.947 10.150 0.000) 10.194 17.294 ( 10.543 -1.035 0.000) 10.594 17.357 ( -0.185 -4.648 -0.000) 4.651 17.691 ( -0.319 5.634 0.000) 5.643 17.877 ( 9.792 7.319 0.000) 12.225 19.434 ( -1.767 -1.377 -0.000) 2.240 19.895 ( -3.259 -3.515 -0.000) 4.793 19.961 ( 3.743 2.004 0.000) 4.245 20.275 ( -1.224 -0.493 -0.000) 1.319 20.702 ( -2.214 -1.870 -0.000) 2.898 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 5.744 6.159 0.000) 8.421 1.827 ( 20.943 17.818 0.000) 27.497 1.970 ( 32.926 9.949 0.000) 34.396 2.089 ( -4.649 -4.144 -0.000) 6.228 3.298 ( 27.593 37.371 0.000) 46.454 4.090 ( -9.219 -8.655 -0.000) 12.645 4.531 ( -21.490 -1.106 -0.000) 21.519 4.735 ( -6.729 -1.052 -0.000) 6.811 5.066 ( 1.804 2.250 0.000) 2.884 5.139 ( 12.970 -6.011 0.000) 14.296 5.689 ( -5.879 -8.228 -0.000) 10.113 5.924 ( 4.870 1.622 0.000) 5.133 6.128 ( -4.679 -0.759 -0.000) 4.740 6.170 ( -2.769 -3.864 -0.000) 4.753 6.388 ( 1.233 1.018 0.000) 1.599 6.969 ( 5.407 8.295 0.000) 9.902 7.626 ( -10.714 0.772 -0.000) 10.742 8.344 ( 14.424 1.137 0.000) 14.469 8.397 ( -0.720 -11.318 -0.000) 11.341 9.092 ( 3.207 11.557 0.000) 11.993 9.903 ( 12.817 13.898 0.000) 18.905 10.405 ( -2.707 -6.262 -0.000) 6.822 10.649 ( -3.809 -3.500 -0.000) 5.173 10.788 ( -4.638 -2.640 -0.000) 5.336 11.278 ( -11.750 -6.531 -0.000) 13.443 11.895 ( -1.101 -3.983 -0.000) 4.133 13.894 ( -11.784 -5.474 -0.000) 12.993 13.929 ( -13.971 -8.394 -0.000) 16.299 14.835 ( -1.835 -11.492 -0.000) 11.637 15.000 ( 15.092 2.597 0.000) 15.314 16.343 ( -10.981 -1.878 -0.000) 11.141 16.554 ( -7.226 4.307 -0.000) 8.412 17.322 ( -0.782 7.854 0.000) 7.893 17.345 ( 7.741 -4.329 0.000) 8.870 17.565 ( 14.069 -0.128 0.000) 14.069 17.832 ( -1.360 8.910 0.000) 9.014 18.290 ( 11.826 10.236 0.000) 15.641 19.364 ( -2.011 -1.369 -0.000) 2.432 19.700 ( -4.971 -6.307 -0.000) 8.031 20.096 ( 5.021 1.520 0.000) 5.246 20.207 ( -3.244 -1.984 -0.000) 3.802 20.598 ( -3.668 -1.714 -0.000) 4.049 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 3.808 4.644 0.000) 6.006 1.859 ( -6.068 -5.508 -0.000) 8.195 2.566 ( 20.594 10.118 0.000) 22.945 2.794 ( 28.553 7.236 0.000) 29.455 3.916 ( -1.495 4.559 -0.000) 4.798 4.012 ( -23.217 3.395 -0.000) 23.464 4.504 ( -12.370 -1.772 -0.000) 12.496 4.584 ( 23.610 26.987 0.000) 35.857 5.280 ( 7.334 8.969 0.000) 11.586 5.285 ( 13.739 -14.360 0.000) 19.873 5.358 ( -5.575 -4.865 -0.000) 7.399 5.890 ( 1.788 -7.163 0.000) 7.382 5.992 ( -8.514 1.158 -0.000) 8.593 5.998 ( -5.717 -3.161 -0.000) 6.533 6.490 ( 0.314 0.395 0.000) 0.505 7.024 ( -7.513 -7.355 -0.000) 10.514 7.601 ( -1.801 14.012 0.000) 14.128 8.138 ( 1.099 -11.241 -0.000) 11.294 8.702 ( 16.644 1.828 0.000) 16.744 9.372 ( -0.784 11.810 0.000) 11.836 10.181 ( -1.851 -9.788 -0.000) 9.962 10.421 ( 8.589 3.778 0.000) 9.383 10.499 ( -4.288 2.324 -0.000) 4.877 10.677 ( -0.728 2.848 -0.000) 2.940 10.944 ( -8.826 -4.638 -0.000) 9.971 11.743 ( -3.335 -6.584 -0.000) 7.380 13.495 ( -11.303 -6.233 -0.000) 12.908 13.548 ( -12.317 -2.852 -0.000) 12.643 14.648 ( 4.636 -7.411 0.000) 8.741 15.307 ( 14.917 -8.109 0.000) 16.979 16.050 ( -13.548 3.525 -0.000) 13.999 16.486 ( -9.350 4.978 -0.000) 10.593 17.453 ( 10.312 -4.534 0.000) 11.265 17.454 ( -0.183 5.790 0.000) 5.793 17.815 ( 10.725 -1.244 0.000) 10.797 17.970 ( -3.904 8.740 -0.000) 9.573 18.778 ( 11.877 12.340 0.000) 17.127 19.298 ( -1.702 -1.119 -0.000) 2.036 19.465 ( -3.873 -6.296 -0.000) 7.392 20.039 ( -5.691 -5.513 -0.000) 7.923 20.220 ( 4.699 0.617 0.000) 4.740 20.492 ( -4.316 -0.395 -0.000) 4.334 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 3.651 3.957 0.000) 5.384 1.636 ( -5.016 -4.530 -0.000) 6.758 3.087 ( 20.158 0.061 0.000) 20.158 3.363 ( 3.919 2.896 0.000) 4.873 3.690 ( -3.814 6.097 -0.000) 7.192 4.048 ( -12.099 -0.018 -0.000) 12.099 4.313 ( 1.166 13.912 0.000) 13.961 4.832 ( -7.313 -19.131 -0.000) 20.481 5.485 ( 19.493 -1.050 0.000) 19.521 5.552 ( 13.554 14.535 0.000) 19.874 5.622 ( -5.757 11.588 -0.000) 12.939 5.804 ( 5.339 -7.222 0.000) 8.982 5.848 ( -5.614 1.310 -0.000) 5.764 5.911 ( 0.790 5.265 0.000) 5.324 6.289 ( -6.861 -9.406 -0.000) 11.643 6.531 ( -14.727 -13.015 -0.000) 19.654 7.893 ( -1.038 12.167 0.000) 12.211 8.021 ( 4.339 -7.302 0.000) 8.494 9.096 ( 16.695 1.996 0.000) 16.814 9.422 ( -12.837 3.588 -0.000) 13.329 10.068 ( 6.542 -2.069 0.000) 6.861 10.268 ( -7.003 -4.182 -0.000) 8.157 10.548 ( 0.763 2.616 0.000) 2.725 10.699 ( -4.889 -5.297 -0.000) 7.208 11.059 ( 9.493 12.960 0.000) 16.065 11.469 ( -6.686 -9.788 -0.000) 11.854 13.255 ( -2.777 -2.015 -0.000) 3.431 13.296 ( -6.995 -1.035 -0.000) 7.071 14.760 ( 9.218 3.941 0.000) 10.025 15.127 ( -5.152 -13.761 -0.000) 14.693 16.108 ( 5.234 6.276 0.000) 8.172 16.345 ( -10.183 0.699 -0.000) 10.207 17.546 ( -2.738 5.448 -0.000) 6.097 17.548 ( 7.793 -5.164 0.000) 9.349 17.959 ( 8.096 -3.482 0.000) 8.813 18.014 ( -6.751 6.202 -0.000) 9.167 19.235 ( 3.276 7.470 0.000) 8.157 19.256 ( -0.460 -0.409 -0.000) 0.616 19.352 ( 6.362 1.627 0.000) 6.567 19.734 ( -9.047 -8.948 -0.000) 12.725 20.318 ( 4.640 -0.444 0.000) 4.661 20.402 ( -4.531 0.521 -0.000) 4.561 ======================= Grid point 9 (6/126) ======================= q-point: ( 0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -6.399 13.167 10.662) 18.110 1.192 ( -6.683 8.144 15.696) 18.904 1.877 ( 1.506 15.815 35.005) 38.441 2.307 ( -2.640 -2.659 -3.975) 5.463 2.734 ( 4.880 47.657 18.640) 51.404 4.264 ( 0.535 -15.122 -7.266) 16.786 4.575 ( 3.547 -8.893 -8.611) 12.877 4.702 ( 4.479 -6.517 -7.410) 10.837 5.055 ( -5.839 -1.062 -0.085) 5.936 5.182 ( -0.829 2.874 2.696) 4.027 5.606 ( -1.417 10.255 -14.186) 17.562 5.808 ( 5.804 -9.058 -13.181) 17.014 6.050 ( -7.189 2.137 -1.590) 7.666 6.235 ( 0.905 -2.296 5.201) 5.756 6.562 ( 2.153 0.858 5.921) 6.359 6.859 ( 0.187 0.632 8.687) 8.712 7.636 ( 6.209 -5.256 -8.698) 11.909 8.091 ( -7.465 8.948 -7.054) 13.622 8.760 ( -9.083 -1.903 12.243) 15.363 8.951 ( 8.175 6.718 9.972) 14.540 9.574 ( 0.886 14.218 -0.789) 14.268 10.422 ( -0.160 -5.536 -5.006) 7.465 10.800 ( 0.584 -3.735 4.665) 6.005 10.862 ( -0.362 -3.460 1.303) 3.715 11.446 ( 1.813 -10.252 -6.607) 12.331 11.854 ( -1.308 -1.525 -8.808) 9.034 13.950 ( 4.468 -14.276 -10.057) 18.025 14.532 ( 1.292 -1.476 2.314) 3.034 14.593 ( -7.459 1.097 8.283) 11.201 15.143 ( -0.884 -6.114 6.481) 8.954 16.346 ( 10.980 -7.758 -10.952) 17.340 16.471 ( -5.238 1.675 -7.323) 9.158 17.022 ( -0.746 6.727 -9.057) 11.306 17.236 ( -2.426 2.232 -5.156) 6.120 17.570 ( -0.398 6.886 5.422) 8.774 17.920 ( 2.376 5.762 10.979) 12.625 18.134 ( -1.411 10.067 11.847) 15.610 19.476 ( 0.658 -0.812 1.932) 2.197 19.868 ( -1.296 -1.945 0.656) 2.428 19.910 ( -0.373 -7.041 5.923) 9.209 20.290 ( -0.519 2.978 -5.278) 6.082 20.595 ( 1.150 -2.917 -6.115) 6.872 ======================= Grid point 10 (7/126) ======================= q-point: ( 0.21 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 2.028 5.947 5.670) 8.463 1.469 ( 16.511 7.077 6.642) 19.153 2.195 ( -2.553 1.804 1.160) 3.334 2.340 ( 3.974 18.924 25.834) 32.269 3.723 ( 6.373 17.166 -6.186) 19.328 4.099 ( 3.353 12.113 7.988) 14.892 4.483 ( 6.570 -9.745 -9.939) 15.392 4.663 ( 1.208 -3.634 -8.108) 8.967 4.918 ( -2.649 -1.951 6.821) 7.573 5.154 ( -1.190 -1.529 8.030) 8.260 5.573 ( -2.513 -14.427 -13.433) 19.872 5.703 ( 0.138 -1.224 -6.844) 6.954 6.088 ( -1.262 8.765 -2.873) 9.310 6.211 ( -0.214 -0.983 3.815) 3.945 6.553 ( -4.577 1.599 4.401) 6.548 7.013 ( 5.817 4.566 1.018) 7.465 7.665 ( 4.501 -3.709 -7.518) 9.515 8.089 ( -4.201 4.178 -7.909) 9.882 8.491 ( -7.336 -4.473 13.410) 15.926 9.299 ( 8.960 8.407 7.983) 14.652 9.957 ( 6.214 12.254 -3.389) 14.151 10.259 ( -2.070 -7.325 -0.849) 7.659 10.717 ( -0.739 -2.992 1.207) 3.310 10.756 ( -2.441 -3.293 2.865) 5.001 11.241 ( -3.595 -7.389 -4.664) 9.449 11.764 ( -2.523 -3.086 -7.505) 8.498 13.778 ( 3.964 -9.883 -11.473) 15.653 14.169 ( -19.301 -1.586 0.462) 19.372 14.620 ( -3.754 -3.362 6.616) 8.316 15.001 ( 5.780 -7.281 16.109) 18.599 16.247 ( -7.102 -0.038 -19.242) 20.510 16.603 ( 10.806 -2.063 -0.362) 11.007 17.181 ( 2.615 -3.868 1.691) 4.966 17.237 ( 6.304 5.732 -9.090) 12.459 17.692 ( -5.602 8.606 6.220) 12.006 18.085 ( -0.383 7.917 3.175) 8.538 18.418 ( 7.828 10.217 11.026) 16.949 19.443 ( -3.490 0.881 1.322) 3.835 19.682 ( -4.198 -8.414 3.135) 9.912 19.859 ( 5.166 -4.469 -1.173) 6.931 20.306 ( -3.700 2.784 -3.978) 6.104 20.559 ( 0.186 -2.148 -3.349) 3.983 ======================= Grid point 11 (8/126) ======================= q-point: ( 0.21 -0.01 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.313 6.100 1.699) 6.340 1.712 ( 4.655 -5.966 -1.253) 7.670 2.468 ( 15.555 9.975 6.307) 19.525 2.738 ( 7.716 6.511 20.198) 22.581 3.909 ( 5.594 8.009 -6.692) 11.842 4.394 ( 0.603 -6.703 -11.717) 13.512 4.482 ( -7.338 -3.790 -4.108) 9.224 4.636 ( 5.998 3.161 5.725) 8.874 5.073 ( 8.061 9.976 9.725) 16.096 5.114 ( -5.260 -9.685 -16.044) 19.464 5.271 ( 11.881 -3.678 12.263) 17.466 5.648 ( 0.403 -1.477 0.181) 1.542 6.148 ( -1.920 0.907 6.349) 6.695 6.229 ( -4.710 5.024 -8.749) 11.135 6.458 ( -7.545 0.242 -3.059) 8.145 7.060 ( -2.401 -6.378 5.666) 8.862 7.723 ( 4.867 -0.523 -11.588) 12.579 8.047 ( -6.646 5.660 -2.698) 9.137 8.477 ( 8.207 2.461 7.686) 11.511 9.653 ( 8.968 7.373 7.047) 13.581 9.944 ( -5.438 -9.744 -0.558) 11.172 10.312 ( 6.046 2.029 0.784) 6.426 10.589 ( -2.575 -4.978 -3.972) 6.869 10.797 ( 0.452 10.600 2.789) 10.970 10.992 ( -7.033 -5.495 -2.782) 9.349 11.614 ( -3.891 -5.234 -6.205) 9.002 13.689 ( -7.229 -0.177 -2.956) 7.812 13.795 ( -8.362 -2.350 0.139) 8.687 14.330 ( -8.183 -4.978 -0.626) 9.599 15.060 ( 7.585 -5.311 11.729) 14.943 16.110 ( -5.589 0.939 -13.098) 14.272 16.731 ( 5.256 -2.944 5.119) 7.905 17.217 ( 7.320 -2.845 1.935) 8.088 17.450 ( 7.219 -0.693 -2.456) 7.657 17.738 ( -3.182 7.019 1.366) 7.827 18.206 ( -3.391 6.591 -0.119) 7.414 18.847 ( 10.949 11.130 5.637) 16.599 19.380 ( -4.814 1.382 0.796) 5.071 19.438 ( -4.404 -5.179 0.623) 6.827 19.846 ( 3.040 -6.030 -2.141) 7.085 20.265 ( -3.319 0.947 -1.380) 3.718 20.510 ( -1.110 -1.558 -2.066) 2.815 ======================= Grid point 12 (9/126) ======================= q-point: ( 0.21 -0.01 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.068 2.746 -0.598) 2.811 1.624 ( -2.278 -2.304 0.380) 3.262 2.853 ( 13.822 -3.063 14.508) 20.271 3.162 ( 20.792 6.196 7.412) 22.927 4.067 ( -14.084 -5.577 -0.717) 15.165 4.185 ( -7.251 -2.383 -3.574) 8.428 4.382 ( 6.864 8.158 -11.180) 15.449 4.534 ( -8.477 -14.003 0.201) 16.370 4.920 ( 16.632 -6.780 -2.871) 18.189 5.319 ( 11.391 -8.003 4.764) 14.714 5.584 ( 9.389 6.870 -3.875) 12.262 5.831 ( -0.048 7.645 -4.919) 9.091 6.130 ( -5.167 -0.429 -7.173) 8.851 6.228 ( -7.922 3.571 3.157) 9.245 6.237 ( -1.899 6.706 8.954) 11.347 6.736 ( -8.822 -10.003 14.316) 19.567 7.718 ( 2.425 -6.624 -12.829) 14.640 8.169 ( -6.136 14.054 -6.387) 16.612 8.778 ( 14.912 0.969 5.236) 15.834 9.599 ( -6.162 -10.562 1.664) 12.341 9.961 ( 7.973 4.666 4.373) 10.221 10.358 ( -3.834 -1.006 3.526) 5.305 10.518 ( 3.265 1.211 -3.441) 4.896 10.713 ( -7.273 -4.090 -0.665) 8.371 11.140 ( 5.233 11.585 -3.396) 13.158 11.372 ( -6.544 -7.135 -4.325) 10.604 13.461 ( -10.004 -0.325 7.526) 12.523 13.614 ( -10.912 1.404 7.282) 13.193 14.338 ( 9.947 3.562 -17.231) 20.213 15.022 ( -5.423 0.909 -2.556) 6.064 16.101 ( 6.533 -3.088 4.091) 8.303 16.653 ( -4.832 -5.371 10.582) 12.813 17.323 ( 7.457 -2.844 0.617) 8.005 17.540 ( 9.346 -5.260 -0.436) 10.734 17.853 ( -2.009 7.218 -2.056) 7.769 18.204 ( -6.013 3.069 -2.245) 7.114 19.285 ( 8.490 5.720 -1.591) 10.360 19.298 ( -1.654 1.532 1.332) 2.618 19.314 ( -3.226 0.493 -0.010) 3.263 19.714 ( -4.493 -4.206 0.981) 6.232 20.239 ( 1.140 -0.778 -0.461) 1.455 20.456 ( -1.941 -0.467 -1.931) 2.777 ======================= Grid point 13 (10/126) ======================= q-point: ( 0.21 -0.01 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -3.085 -1.400 -0.420) 3.414 1.615 ( 2.265 1.799 0.596) 2.953 3.103 ( 18.332 -5.209 9.276) 21.196 3.590 ( -8.944 3.153 7.424) 12.043 3.674 ( 3.600 -9.971 0.587) 10.618 3.780 ( -9.917 -10.819 -1.173) 14.723 4.058 ( -4.620 -9.462 3.028) 10.956 4.735 ( 13.131 1.910 -15.024) 20.045 5.267 ( 10.840 -2.949 9.056) 14.430 5.353 ( 10.684 0.085 -4.783) 11.706 5.569 ( -12.055 -8.825 -5.464) 15.908 5.904 ( -3.071 1.498 -10.009) 10.576 5.921 ( -6.957 2.147 -1.043) 7.355 6.258 ( -1.097 11.571 -1.650) 11.739 6.324 ( -7.458 -2.706 13.048) 15.271 6.720 ( 10.596 10.120 14.861) 20.869 7.549 ( -1.649 -10.386 -12.143) 16.063 8.275 ( -6.919 10.383 -7.619) 14.620 9.048 ( 11.082 -5.203 3.104) 12.630 9.284 ( -4.226 -7.298 6.474) 10.632 10.179 ( 5.592 0.231 -0.747) 5.647 10.240 ( -2.994 1.847 0.724) 3.591 10.540 ( -1.564 1.018 1.036) 2.134 10.691 ( 1.235 2.384 -1.419) 3.037 11.025 ( -8.186 -6.698 -2.529) 10.875 11.488 ( 5.126 8.623 -4.629) 11.048 13.261 ( -4.537 -2.103 2.945) 5.804 13.573 ( -2.527 8.492 14.460) 16.959 14.655 ( 4.708 5.762 -15.879) 17.536 15.036 ( -0.867 11.975 -15.879) 19.907 16.142 ( 4.498 -11.741 10.365) 16.295 16.390 ( -2.170 -5.090 17.351) 18.212 17.379 ( 4.382 -4.042 -1.558) 6.162 17.608 ( 8.539 -7.774 -3.961) 12.208 17.905 ( -7.644 7.141 0.038) 10.461 18.130 ( -4.860 1.843 -1.399) 5.383 19.144 ( -3.966 -8.232 0.815) 9.174 19.309 ( -1.240 3.023 0.201) 3.274 19.457 ( -2.759 1.743 -2.014) 3.834 19.708 ( 5.078 4.898 1.358) 7.184 20.281 ( 3.980 -0.527 -0.997) 4.137 20.410 ( -2.871 0.896 -1.283) 3.270 ======================= Grid point 14 (11/126) ======================= q-point: ( 0.21 -0.01 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -5.092 -0.656 1.899) 5.474 1.735 ( 6.986 -0.698 -1.612) 7.203 3.010 ( -21.175 -8.132 10.811) 25.127 3.118 ( -18.828 -15.922 4.736) 25.108 3.418 ( 12.087 -4.177 -6.568) 14.376 3.791 ( 14.058 0.037 8.573) 16.466 4.210 ( 12.688 1.811 1.169) 12.870 4.818 ( -25.614 -10.682 2.497) 27.864 5.030 ( 11.451 -2.180 -7.962) 14.116 5.327 ( 1.407 -4.200 2.289) 4.985 5.595 ( -7.896 -3.913 -5.855) 10.580 5.759 ( 7.844 7.883 -0.856) 11.154 5.990 ( 1.263 -0.926 -2.089) 2.611 6.238 ( -7.347 7.649 4.832) 11.655 6.445 ( -0.507 5.240 -4.371) 6.843 7.086 ( 7.787 4.948 7.531) 11.910 7.263 ( -2.344 -10.431 -7.834) 13.254 8.400 ( -2.207 10.692 -7.518) 13.255 8.896 ( -8.044 -4.023 0.586) 9.013 9.180 ( 6.266 -11.913 14.122) 19.509 10.192 ( 0.161 2.566 -5.475) 6.048 10.395 ( 3.595 -4.479 2.630) 6.317 10.443 ( -6.563 -2.415 -6.492) 9.542 10.665 ( 2.007 5.150 1.965) 5.866 10.958 ( 1.410 3.454 2.804) 4.667 11.718 ( 3.474 4.679 -6.608) 8.810 13.262 ( 5.212 1.993 -4.468) 7.148 13.819 ( 4.781 11.833 17.090) 21.330 14.784 ( -4.525 9.810 -9.384) 14.310 15.414 ( 11.521 7.007 -22.577) 26.297 15.733 ( -9.496 -13.183 10.529) 19.360 16.451 ( 9.759 -3.216 18.452) 21.120 17.331 ( 0.033 -4.832 -3.354) 5.882 17.537 ( 2.691 -9.849 -9.208) 13.749 17.849 ( -11.465 7.192 0.822) 13.559 18.080 ( -3.607 0.951 4.723) 6.018 18.808 ( -8.169 -9.927 4.820) 13.730 19.357 ( -1.292 3.806 0.684) 4.077 19.527 ( 2.824 4.704 0.901) 5.560 19.876 ( 6.188 -1.292 -2.645) 6.852 20.356 ( -0.889 1.942 -2.668) 3.418 20.389 ( 1.295 1.100 -0.596) 1.800 ======================= Grid point 15 (12/126) ======================= q-point: ( 0.21 -0.01 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -5.666 -1.298 5.235) 7.822 1.738 ( 0.133 -14.677 2.269) 14.852 2.377 ( -24.618 -6.230 22.963) 34.237 2.415 ( -11.939 -9.058 2.205) 15.148 3.581 ( -12.364 -1.892 -5.813) 13.792 3.989 ( -10.089 -0.088 5.495) 11.489 4.218 ( 13.275 3.757 2.284) 13.984 4.509 ( 8.790 1.581 -3.022) 9.429 5.085 ( 2.140 -3.695 7.415) 8.556 5.340 ( -3.881 -3.402 2.783) 5.864 5.505 ( 9.245 2.018 -20.716) 22.775 5.838 ( -4.480 -3.052 -15.566) 16.482 6.087 ( 4.887 2.510 6.478) 8.494 6.215 ( -4.586 1.535 3.159) 5.777 6.504 ( -2.685 5.519 2.904) 6.791 6.973 ( -3.972 -5.976 3.139) 7.832 7.383 ( 8.123 4.234 -6.072) 10.990 8.409 ( -7.057 -4.199 -9.252) 12.371 8.818 ( -3.377 8.350 7.617) 11.796 8.997 ( 0.951 -10.682 13.209) 17.015 9.945 ( -14.496 -6.781 -3.252) 16.331 10.306 ( 4.657 0.629 -4.054) 6.206 10.635 ( 6.493 3.695 -1.703) 7.663 10.801 ( 2.773 1.266 6.510) 7.189 11.149 ( 8.199 5.487 -1.970) 10.060 11.830 ( 1.884 0.949 -7.948) 8.224 13.540 ( 12.885 5.383 -9.980) 17.164 14.212 ( 6.215 13.162 14.648) 20.651 14.858 ( -3.120 0.888 -3.105) 4.490 15.199 ( -1.996 -14.824 5.705) 16.008 15.900 ( 8.723 12.621 -15.469) 21.787 16.554 ( 4.904 -3.407 7.699) 9.743 17.194 ( -3.497 -4.429 -5.016) 7.551 17.359 ( -0.096 -8.180 -8.409) 11.732 17.734 ( -11.813 4.890 0.025) 12.785 18.001 ( -5.630 1.128 10.168) 11.677 18.439 ( -9.552 -7.161 8.923) 14.904 19.417 ( -0.300 3.565 0.985) 3.711 19.719 ( 7.021 2.799 3.376) 8.278 19.909 ( 4.113 -5.413 -1.008) 6.873 20.338 ( -4.288 2.926 -3.182) 6.089 20.489 ( 4.044 1.450 -4.347) 6.112 ======================= Grid point 17 (13/126) ======================= q-point: ( 0.21 -0.01 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -8.459 10.312 16.201) 20.985 1.157 ( -10.557 28.279 12.240) 32.572 1.637 ( -13.156 3.406 21.443) 25.386 2.104 ( -10.356 10.528 43.706) 46.134 2.390 ( -5.587 3.702 0.224) 6.706 4.443 ( 10.029 -9.405 -8.733) 16.288 4.681 ( 0.584 -0.694 -13.584) 13.614 4.796 ( 1.415 -12.251 -10.830) 16.412 5.044 ( 3.454 7.903 1.118) 8.697 5.157 ( -2.126 0.098 2.996) 3.675 5.457 ( -7.452 8.080 -12.592) 16.715 5.861 ( 0.455 -6.290 -6.870) 9.326 6.070 ( 2.187 5.133 -10.727) 12.091 6.263 ( 0.861 -1.122 3.788) 4.043 6.533 ( 0.882 -3.131 4.581) 5.618 6.888 ( -0.141 0.259 15.045) 15.048 7.701 ( -0.851 -6.477 -9.887) 11.850 7.967 ( -2.746 10.998 -7.774) 13.745 8.722 ( 5.400 -0.499 12.388) 13.523 8.925 ( -8.052 3.931 11.881) 14.881 9.417 ( -9.208 8.413 0.224) 12.474 10.489 ( 2.671 -2.755 -5.915) 7.051 10.824 ( 2.556 -2.579 4.311) 5.637 10.911 ( 0.544 -0.672 1.825) 2.019 11.561 ( 6.441 -7.712 -8.756) 13.328 11.871 ( 1.458 -0.461 -9.042) 9.170 14.145 ( 5.400 -11.120 -3.993) 12.991 14.381 ( 8.602 -3.822 -1.301) 9.502 14.698 ( -3.185 5.514 4.724) 7.929 15.225 ( 2.893 -2.895 8.319) 9.271 16.288 ( 5.915 -9.022 -15.194) 18.634 16.613 ( -4.140 1.860 -3.947) 6.015 17.035 ( -4.833 10.658 -10.739) 15.883 17.079 ( -7.552 5.412 -10.480) 14.006 17.518 ( 3.549 -2.551 11.797) 12.581 17.831 ( -3.297 0.891 10.541) 11.080 18.035 ( -7.503 8.800 12.647) 17.137 19.470 ( 1.805 -2.288 3.233) 4.352 19.932 ( 2.430 0.087 2.176) 3.263 19.980 ( -3.450 1.945 1.817) 4.357 20.233 ( 4.017 -3.424 -2.967) 6.056 20.631 ( 1.132 -1.947 -6.692) 7.061 ======================= Grid point 18 (14/126) ======================= q-point: ( 0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.781 5.107 2.857) 5.903 1.561 ( -2.788 -3.678 0.068) 4.616 2.564 ( -9.429 15.750 7.942) 20.001 3.104 ( 2.036 -11.872 5.465) 13.227 3.425 ( 6.020 12.364 5.960) 14.988 4.057 ( 1.417 -6.854 0.665) 7.031 4.353 ( 1.361 -1.837 -2.412) 3.323 4.675 ( 1.251 4.457 -14.546) 15.265 4.845 ( 1.169 1.017 -2.731) 3.140 5.126 ( -2.773 -0.719 6.445) 7.053 5.430 ( -1.699 -4.372 11.290) 12.226 5.583 ( -0.296 5.926 -12.104) 13.480 6.164 ( 0.330 1.168 -2.259) 2.565 6.367 ( -1.300 1.063 11.387) 11.510 6.724 ( -3.689 -0.748 0.694) 3.828 6.849 ( 5.808 -0.720 -11.948) 13.304 7.308 ( 3.599 -1.786 0.263) 4.027 8.185 ( -4.775 2.256 -5.350) 7.518 8.918 ( -7.372 -1.370 10.052) 12.541 9.279 ( 7.466 -0.132 2.885) 8.005 10.064 ( -0.684 11.962 -3.428) 12.462 10.245 ( -0.801 -0.464 2.725) 2.878 10.432 ( 1.950 -10.927 -3.898) 11.764 10.944 ( 0.716 0.676 4.284) 4.396 11.081 ( 0.241 -2.061 -0.900) 2.262 11.600 ( -1.473 -1.065 -6.424) 6.676 13.249 ( 3.007 -5.613 -5.807) 8.618 14.461 ( -2.284 -1.747 0.210) 2.883 15.000 ( -8.169 2.010 2.963) 8.919 15.099 ( 2.401 1.088 20.223) 20.395 15.695 ( 7.524 -7.440 -18.688) 21.476 16.439 ( -1.280 1.172 -3.051) 3.510 17.104 ( 0.161 -0.868 0.266) 0.922 17.157 ( -0.885 1.666 -3.336) 3.833 17.983 ( -0.246 4.847 1.031) 4.962 18.268 ( 0.388 2.165 3.083) 3.787 18.752 ( 0.536 5.978 8.251) 10.203 19.531 ( 2.483 2.603 0.132) 3.600 19.613 ( -3.143 -6.360 0.854) 7.146 19.731 ( -0.976 -3.522 -1.042) 3.801 20.299 ( -0.332 0.111 -2.999) 3.020 20.439 ( 1.245 0.339 -1.587) 2.045 ======================= Grid point 19 (15/126) ======================= q-point: (-0.58 -0.02 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.398 -1.954 -2.425) 3.139 1.598 ( 3.474 5.614 2.353) 7.009 2.758 ( 2.431 7.224 10.428) 12.917 2.961 ( 5.488 -6.123 5.721) 10.017 3.771 ( 4.596 3.192 -14.427) 15.474 3.970 ( 4.855 -6.466 8.904) 12.028 4.327 ( 2.092 -5.134 -0.676) 5.585 4.489 ( 2.716 -8.313 -1.674) 8.905 4.852 ( -4.382 -0.701 -3.208) 5.476 5.191 ( 2.835 -5.538 10.400) 12.119 5.389 ( 1.289 3.989 0.865) 4.280 5.703 ( 0.866 4.160 -8.339) 9.359 6.102 ( -5.393 0.781 -3.980) 6.748 6.421 ( 0.513 4.318 10.495) 11.360 6.625 ( -4.709 0.639 -0.925) 4.841 6.929 ( 5.081 -4.387 -10.487) 12.452 7.269 ( 2.664 -7.351 1.859) 8.037 8.238 ( -2.365 8.841 -7.724) 11.975 8.807 ( -5.701 5.419 11.309) 13.775 9.465 ( 10.053 -2.013 -1.293) 10.333 10.020 ( -1.939 -8.792 1.484) 9.125 10.281 ( 3.192 -2.460 0.742) 4.098 10.421 ( -1.015 9.361 -4.727) 10.536 10.963 ( -2.432 -1.667 -0.198) 2.955 11.039 ( -1.083 3.388 0.991) 3.692 11.512 ( -3.657 -2.211 -1.128) 4.420 13.319 ( 5.891 3.254 -9.223) 11.417 14.239 ( -15.159 0.426 5.577) 16.158 14.798 ( -13.905 1.788 11.106) 17.885 15.197 ( -1.393 4.799 9.794) 10.996 15.706 ( 9.642 -7.410 -14.279) 18.756 16.503 ( 8.158 -3.086 0.969) 8.776 17.071 ( 6.527 -4.525 4.617) 9.187 17.302 ( 3.337 3.072 -4.922) 6.694 17.901 ( -4.110 -3.083 0.971) 5.229 18.348 ( -2.073 3.489 -3.999) 5.698 18.907 ( 5.774 1.830 -1.227) 6.180 19.452 ( -3.793 -1.320 0.343) 4.031 19.606 ( -5.511 4.949 3.109) 8.033 19.710 ( 3.264 1.451 1.047) 3.723 20.282 ( -0.827 -1.026 -0.977) 1.640 20.420 ( 0.003 -2.633 -1.356) 2.962 ======================= Grid point 20 (16/126) ======================= q-point: (-0.58 -0.02 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.112 -0.320 -3.775) 3.790 1.744 ( -1.289 4.465 3.757) 5.976 2.784 ( 11.566 -16.111 8.546) 21.595 3.165 ( 7.945 4.782 8.532) 12.601 3.675 ( 5.934 -10.394 -21.354) 24.479 3.952 ( 3.525 -6.658 7.993) 10.984 4.200 ( -3.459 -5.907 0.771) 6.888 4.639 ( 10.530 1.011 -6.345) 12.335 4.760 ( -5.520 1.833 10.840) 12.302 5.158 ( 7.527 -3.597 9.910) 12.954 5.437 ( 1.333 0.303 -2.252) 2.635 5.686 ( -0.541 -4.990 -8.018) 9.459 6.134 ( -1.459 5.366 -5.991) 8.174 6.492 ( -3.854 4.043 -1.773) 5.860 6.531 ( -5.027 1.430 -1.237) 5.371 6.947 ( 3.362 -0.237 9.848) 10.409 7.175 ( 5.378 -8.966 -1.757) 10.601 8.334 ( -6.081 6.339 -12.497) 15.275 8.881 ( -1.146 6.772 4.611) 8.272 9.527 ( 4.023 -5.848 7.270) 10.160 9.864 ( 3.667 -6.813 -3.555) 8.515 10.313 ( 2.636 -0.466 -3.614) 4.497 10.591 ( -1.099 8.341 2.272) 8.714 10.833 ( -3.890 -1.233 6.166) 7.394 11.097 ( -3.868 2.649 -11.380) 12.308 11.399 ( -2.188 0.054 5.560) 5.976 13.599 ( 6.611 9.771 -10.871) 16.042 13.882 ( -16.288 -2.796 8.122) 18.414 14.624 ( -12.361 10.326 16.049) 22.737 15.176 ( -12.226 7.627 -10.216) 17.664 15.809 ( 16.131 -9.520 2.808) 18.940 16.607 ( 9.385 -5.549 5.025) 12.005 17.161 ( 6.474 -4.001 3.889) 8.546 17.282 ( 3.073 -8.604 3.179) 9.674 17.872 ( 0.258 4.287 -9.233) 10.183 18.294 ( -4.102 -0.554 -4.752) 6.302 19.025 ( 6.539 -3.981 -8.760) 11.634 19.397 ( -3.318 3.053 -1.330) 4.701 19.571 ( -7.445 5.625 6.488) 11.365 19.840 ( -0.340 5.312 3.017) 6.119 20.204 ( -1.130 -3.109 0.554) 3.354 20.390 ( 1.748 -1.508 -1.281) 2.641 ======================= Grid point 21 (17/126) ======================= q-point: (-0.58 -0.02 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.051 0.992 -3.396) 3.539 1.693 ( -4.525 -2.620 4.451) 6.867 2.637 ( 12.070 -17.801 -4.732) 22.022 3.381 ( 13.102 -3.567 8.030) 15.775 3.703 ( -1.804 -1.596 -10.993) 11.253 3.918 ( 3.347 -2.461 0.478) 4.182 4.065 ( 1.447 0.313 8.012) 8.147 4.424 ( -6.648 -9.208 19.575) 22.631 4.914 ( 12.077 -5.954 -7.571) 15.448 5.416 ( 4.274 10.397 2.163) 11.447 5.456 ( -0.233 -1.837 -4.518) 4.883 5.630 ( 5.175 -1.825 -3.774) 6.660 6.052 ( -7.802 -3.290 -7.390) 11.239 6.449 ( -4.081 3.836 0.978) 5.686 6.572 ( 0.607 4.191 -7.423) 8.546 6.938 ( 0.562 -6.320 8.898) 10.928 7.209 ( 5.543 0.296 8.712) 10.330 8.263 ( -6.323 2.253 -17.385) 18.636 8.972 ( -1.973 4.058 -5.284) 6.948 9.444 ( -0.851 -5.602 17.361) 18.262 9.875 ( 10.210 -5.197 -6.101) 12.980 10.317 ( -1.473 -0.636 -1.321) 2.078 10.715 ( -2.424 6.196 0.806) 6.702 10.776 ( -4.650 0.196 6.565) 8.048 10.984 ( -3.290 0.704 -5.112) 6.119 11.463 ( 1.945 3.736 -0.977) 4.323 13.482 ( -12.916 -4.314 6.358) 15.028 13.953 ( 3.264 13.089 -4.722) 14.292 14.748 ( -3.324 16.537 11.583) 20.462 15.071 ( -10.889 6.511 -12.780) 18.009 15.891 ( 10.706 -12.444 4.478) 17.015 16.601 ( 1.604 -6.517 11.754) 13.535 17.037 ( 6.784 -11.499 0.701) 13.370 17.315 ( 4.955 -3.383 0.138) 6.001 17.963 ( 0.692 2.245 -8.980) 9.283 18.250 ( -2.169 3.286 -3.853) 5.509 19.000 ( 2.879 -7.140 -5.479) 9.449 19.438 ( -1.781 5.482 -2.042) 6.115 19.537 ( -6.249 5.058 3.313) 8.695 19.830 ( -4.499 -0.435 2.810) 5.322 20.204 ( 2.794 0.842 0.212) 2.926 20.409 ( 1.468 -0.348 0.189) 1.521 ======================= Grid point 22 (18/126) ======================= q-point: (-0.58 -0.02 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.881 1.137 -1.154) 1.844 1.554 ( 0.378 -4.204 0.719) 4.281 2.697 ( 16.230 -3.997 -9.340) 19.148 3.205 ( -14.139 -12.741 6.602) 20.145 3.646 ( -4.736 0.803 -1.295) 4.975 3.910 ( 0.881 -0.274 16.149) 16.176 4.183 ( 6.478 2.906 9.119) 11.557 4.417 ( 15.248 -0.901 -2.045) 15.411 4.982 ( -0.239 -1.652 -6.180) 6.402 5.274 ( -1.681 -6.372 2.671) 7.111 5.516 ( -4.861 -5.034 -7.225) 10.058 5.710 ( -2.181 -0.935 -8.437) 8.765 5.990 ( 2.253 9.659 1.057) 9.974 6.438 ( -1.952 -0.061 7.161) 7.422 6.702 ( -0.454 7.098 -5.235) 8.831 6.806 ( 2.648 -7.838 -1.993) 8.510 7.269 ( 1.142 -0.880 8.772) 8.890 8.244 ( -1.231 1.902 -15.086) 15.255 8.977 ( -4.059 3.592 -5.736) 7.891 9.282 ( 0.282 -7.392 17.003) 18.542 10.059 ( 11.380 -0.806 -2.962) 11.787 10.273 ( -0.400 -0.236 -0.443) 0.642 10.477 ( -12.901 -3.330 -2.887) 13.633 10.864 ( 0.204 6.096 5.369) 8.126 11.034 ( 1.183 1.924 0.930) 2.443 11.568 ( 2.112 1.553 -5.393) 5.997 13.223 ( -4.815 -1.471 1.207) 5.177 14.278 ( 1.461 12.827 1.790) 13.033 15.009 ( -4.886 4.645 -0.421) 6.754 15.094 ( 3.097 11.853 0.022) 12.251 15.669 ( -0.860 -14.865 2.248) 15.059 16.507 ( 2.529 -5.656 3.706) 7.220 17.033 ( 8.522 -5.830 2.575) 10.642 17.270 ( -2.442 -2.619 -5.093) 6.226 18.015 ( 1.353 0.207 -2.525) 2.872 18.280 ( -3.667 4.245 -1.665) 5.852 18.881 ( -1.836 -4.645 1.750) 5.292 19.504 ( -2.243 3.873 1.558) 4.739 19.555 ( 0.375 2.962 -1.529) 3.355 19.733 ( -1.192 -1.810 0.032) 2.168 20.275 ( 1.938 0.478 -0.824) 2.159 20.427 ( 0.280 0.312 0.024) 0.420 ======================= Grid point 24 (19/126) ======================= q-point: ( 0.42 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -1.419 1.115 5.841) 6.113 1.595 ( -1.157 9.496 3.400) 10.153 2.237 ( -8.150 1.544 4.692) 9.530 3.004 ( -15.529 2.926 32.056) 35.740 3.566 ( 0.467 4.601 -8.033) 9.269 4.196 ( -0.746 -0.021 -13.764) 13.784 4.264 ( -4.600 0.541 0.387) 4.648 4.524 ( -7.651 5.566 -3.542) 10.102 4.843 ( -1.220 0.684 -15.727) 15.789 5.265 ( 6.514 0.774 8.611) 10.825 5.472 ( -1.749 -0.387 -2.916) 3.422 5.604 ( 5.048 5.602 3.481) 8.306 5.993 ( -5.721 -5.473 -4.558) 9.135 6.352 ( 0.114 -0.918 8.619) 8.668 6.626 ( 0.907 -6.768 2.145) 7.157 6.980 ( -0.388 6.391 -6.114) 8.853 7.468 ( 1.462 3.466 -10.711) 11.352 8.016 ( -1.282 -3.136 4.486) 5.622 8.816 ( 4.652 -6.993 15.813) 17.905 9.462 ( -3.198 10.195 4.826) 11.724 9.814 ( -12.125 2.724 -8.947) 15.313 10.271 ( 1.759 -0.224 1.762) 2.500 10.703 ( 10.862 0.490 0.840) 10.905 10.886 ( -0.413 -3.435 4.852) 5.960 11.109 ( 3.597 -4.464 -6.938) 9.000 11.581 ( 1.145 -1.604 -7.942) 8.183 13.543 ( 12.722 5.257 -9.316) 16.622 14.201 ( -1.095 -18.726 2.613) 18.939 14.830 ( 2.555 -5.028 11.759) 13.042 15.284 ( 7.952 2.661 6.762) 10.772 15.812 ( -3.258 -3.587 -18.170) 18.805 16.560 ( 1.427 12.847 -3.163) 13.307 17.004 ( -9.352 4.793 -11.461) 15.549 17.229 ( 1.385 2.335 2.427) 3.641 17.829 ( -6.662 -1.668 6.295) 9.316 18.194 ( -2.523 -2.606 6.816) 7.721 18.674 ( -7.860 6.039 11.751) 15.373 19.483 ( -0.004 -3.406 2.287) 4.103 19.722 ( 10.605 -5.073 -0.901) 11.790 19.824 ( 4.244 2.860 -1.396) 5.305 20.240 ( -3.230 -1.883 -1.528) 4.039 20.463 ( -0.315 0.919 -5.014) 5.107 ======================= Grid point 25 (20/126) ======================= q-point: ( 0.42 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -0.589 -0.408 6.709) 6.747 1.921 ( 5.774 0.944 -4.963) 7.672 2.242 ( -11.134 24.635 10.013) 28.829 2.772 ( -16.814 10.530 23.590) 30.823 3.560 ( -5.209 2.715 6.486) 8.751 4.060 ( -6.002 0.958 3.522) 7.024 4.249 ( 0.467 -2.801 -15.712) 15.967 4.434 ( -4.288 -0.658 -4.532) 6.273 5.039 ( 4.473 9.596 -17.367) 20.340 5.315 ( -3.622 0.398 4.122) 5.502 5.435 ( 2.455 -2.959 0.800) 3.927 5.586 ( -8.596 -2.624 -10.302) 13.671 6.004 ( 5.716 5.073 3.913) 8.586 6.333 ( 0.631 -1.240 8.021) 8.141 6.528 ( 3.694 -5.858 4.457) 8.235 7.090 ( -1.017 4.591 -0.804) 4.771 7.340 ( -4.400 -8.272 -12.164) 15.354 8.139 ( 3.190 7.682 2.427) 8.665 8.840 ( 6.966 -2.399 13.703) 15.557 9.482 ( -10.522 5.248 11.392) 16.371 9.717 ( -7.191 7.291 -11.001) 15.030 10.288 ( 0.820 -0.847 -0.633) 1.338 10.754 ( 2.268 -7.157 2.796) 8.011 10.918 ( 5.956 -1.942 7.434) 9.721 11.062 ( 4.688 -6.000 -9.608) 12.260 11.597 ( 1.892 -0.334 -10.888) 11.056 13.735 ( -0.155 -15.105 2.213) 15.267 13.995 ( 14.201 1.621 -8.071) 16.415 14.855 ( 9.951 -5.439 14.059) 18.063 15.450 ( 12.004 -12.101 -19.541) 25.930 15.582 ( -14.102 6.996 6.561) 17.055 16.687 ( -8.450 3.394 -8.122) 12.203 17.112 ( -0.716 14.092 -9.976) 17.280 17.220 ( -8.057 3.377 -3.291) 9.335 17.703 ( -0.417 -2.625 12.562) 12.840 18.119 ( -0.819 1.151 8.572) 8.687 18.662 ( -7.766 7.817 12.617) 16.752 19.426 ( 2.395 -3.706 2.631) 5.137 19.805 ( 9.520 -7.331 0.185) 12.017 19.987 ( 2.639 -0.036 -5.772) 6.347 20.135 ( -2.021 2.087 1.720) 3.376 20.438 ( -1.615 -1.317 -6.104) 6.450 ======================= Grid point 26 (21/126) ======================= q-point: ( 0.42 -0.02 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -1.024 2.002 5.154) 5.624 1.766 ( -6.975 -5.270 -0.454) 8.754 2.487 ( -13.756 16.729 4.676) 22.157 2.957 ( -1.385 21.564 26.728) 34.370 3.414 ( 0.720 -12.564 -7.443) 14.621 4.170 ( -0.468 -1.773 -7.200) 7.429 4.188 ( 0.501 15.620 10.387) 18.765 4.402 ( -0.688 1.876 -6.532) 6.831 5.024 ( -4.476 -7.798 -17.876) 20.010 5.256 ( -1.030 -2.047 3.891) 4.516 5.461 ( 0.827 2.107 -5.613) 6.052 5.508 ( -2.976 4.232 -0.174) 5.177 6.126 ( 2.273 -0.908 -0.764) 2.564 6.352 ( 0.081 1.872 9.300) 9.487 6.601 ( 7.946 1.074 5.381) 9.657 6.979 ( -7.413 -4.495 -5.304) 10.163 7.242 ( 2.960 -0.096 -5.753) 6.471 8.257 ( -2.832 1.987 -2.119) 4.056 8.968 ( 7.379 -1.863 5.325) 9.288 9.309 ( -9.944 0.417 13.263) 16.582 9.809 ( -3.657 13.225 -7.364) 15.573 10.274 ( 0.088 -1.219 -0.234) 1.244 10.622 ( 2.571 -10.459 0.897) 10.808 10.934 ( 1.728 -1.906 4.802) 5.447 11.084 ( 4.695 -3.414 -2.914) 6.495 11.621 ( 0.709 -0.356 -10.526) 10.556 13.413 ( 0.371 -12.936 -1.662) 13.047 14.339 ( 13.586 0.078 -2.328) 13.784 14.989 ( 10.753 -3.933 10.965) 15.853 15.206 ( -13.505 0.189 -2.050) 13.661 15.651 ( 8.478 -3.890 -8.819) 12.837 16.531 ( -10.339 2.633 -7.471) 13.024 17.090 ( -7.612 4.366 -5.618) 10.419 17.269 ( -3.261 0.146 0.394) 3.288 17.764 ( 3.651 6.974 3.104) 8.462 18.209 ( 2.235 3.135 9.145) 9.923 18.669 ( -5.735 7.012 11.681) 14.782 19.443 ( 3.608 -0.752 1.314) 3.913 19.787 ( 4.003 -8.671 1.826) 9.723 19.861 ( -3.303 -5.095 -3.495) 7.006 20.270 ( 1.316 4.011 -2.850) 5.093 20.388 ( 0.397 -0.163 -3.996) 4.019 ======================= Grid point 27 (22/126) ======================= q-point: (-0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.441 -2.791 -5.839) 6.486 1.589 ( 6.992 -2.121 -5.392) 9.081 2.287 ( 5.621 -9.218 -2.430) 11.067 2.961 ( -1.293 -19.525 -30.265) 36.040 3.468 ( -4.115 6.747 7.458) 10.867 4.179 ( -1.533 -1.961 7.701) 8.093 4.235 ( -2.343 -8.253 -7.454) 11.365 4.420 ( -2.815 -3.379 10.599) 11.475 4.907 ( 5.493 0.167 17.241) 18.096 5.254 ( -0.356 6.700 -6.297) 9.201 5.458 ( -0.752 -5.042 11.332) 12.426 5.522 ( -2.348 4.648 -8.922) 10.331 6.106 ( 4.173 -4.539 2.659) 6.715 6.356 ( -0.373 0.056 -9.137) 9.145 6.712 ( -0.485 -1.770 -4.043) 4.440 6.886 ( -0.361 3.651 6.945) 7.855 7.344 ( -6.530 1.966 7.533) 10.162 8.143 ( 7.162 -2.612 -1.213) 7.719 8.986 ( 7.498 4.270 -12.596) 15.268 9.265 ( -7.371 -1.740 -6.877) 10.230 9.772 ( -0.458 -14.210 6.776) 15.750 10.276 ( 0.068 1.968 -0.138) 1.974 10.674 ( -2.110 11.143 -0.460) 11.350 10.937 ( 1.265 0.253 -4.685) 4.859 11.148 ( -0.900 4.355 4.850) 6.580 11.613 ( 1.279 0.193 9.427) 9.516 13.452 ( -3.247 13.334 6.390) 15.138 14.498 ( 3.740 1.462 1.434) 4.264 14.907 ( 8.075 -5.298 -9.972) 13.882 15.174 ( -6.738 6.499 -11.178) 14.581 15.850 ( -4.936 7.261 20.548) 22.345 16.384 ( 0.151 -3.611 4.556) 5.815 16.981 ( 2.374 -7.679 8.785) 11.907 17.219 ( 1.202 1.844 -2.681) 3.469 17.825 ( -1.849 -7.923 -2.917) 8.643 18.234 ( 0.463 -2.276 -8.901) 9.199 18.603 ( -0.103 -7.995 -12.370) 14.729 19.504 ( -1.559 0.231 -1.558) 2.216 19.784 ( 2.068 8.034 0.633) 8.320 19.825 ( 1.462 6.327 -0.560) 6.518 20.269 ( 0.934 -2.962 3.183) 4.448 20.425 ( -2.428 -0.633 4.926) 5.528 ======================= Grid point 28 (23/126) ======================= q-point: (-0.37 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 1.865 0.300 -8.043) 8.262 1.819 ( 18.944 -2.734 -6.686) 20.274 2.135 ( -4.684 -17.650 -0.558) 18.270 2.490 ( 8.517 -20.109 -15.269) 26.646 3.433 ( 5.151 -9.469 -31.841) 33.616 4.042 ( -3.084 6.929 2.087) 7.866 4.284 ( -3.455 4.575 19.000) 19.846 4.365 ( 3.154 -0.901 13.414) 13.809 5.111 ( 2.375 -1.272 9.945) 10.304 5.182 ( 3.522 -6.128 10.463) 12.627 5.408 ( 4.390 -4.176 -1.126) 6.163 5.550 ( -4.991 7.912 1.016) 9.410 6.070 ( 0.482 -5.478 0.622) 5.534 6.349 ( -0.999 1.056 -7.360) 7.502 6.607 ( -3.685 1.109 -5.399) 6.630 7.070 ( 1.683 4.288 -3.061) 5.531 7.293 ( -1.235 4.905 15.016) 15.845 8.148 ( 2.604 -8.432 -4.962) 10.124 9.001 ( -7.798 1.446 -12.151) 14.510 9.279 ( 8.491 -2.369 -12.854) 15.587 9.562 ( 6.330 -10.264 5.953) 13.448 10.309 ( -0.953 1.904 3.648) 4.224 10.814 ( -3.227 7.758 -3.442) 9.080 10.983 ( -0.620 2.647 -5.471) 6.109 11.179 ( -5.534 5.383 8.987) 11.848 11.620 ( -0.259 -0.365 12.710) 12.718 13.738 ( -1.007 17.517 1.771) 17.635 14.315 ( -15.207 -1.875 4.543) 15.981 15.007 ( 1.141 -4.280 -15.495) 16.115 15.255 ( 7.924 6.454 2.968) 10.641 15.780 ( -15.823 7.837 11.351) 20.992 16.460 ( 12.161 -3.233 12.025) 17.405 17.001 ( 10.520 -4.094 6.019) 12.793 17.132 ( -0.764 -12.834 5.827) 14.116 17.720 ( -1.325 2.448 -11.436) 11.770 18.127 ( -1.729 -3.988 -10.780) 11.623 18.510 ( 6.466 -8.194 -13.825) 17.323 19.486 ( -3.105 3.164 -3.210) 5.473 19.956 ( 3.454 3.641 -0.204) 5.023 19.966 ( -4.630 7.518 -0.617) 8.851 20.163 ( -2.960 -5.102 2.060) 6.248 20.406 ( 0.900 1.285 8.713) 8.853 ======================= Grid point 29 (24/126) ======================= q-point: (-0.37 -0.03 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.814 1.906 -8.934) 9.171 1.523 ( 4.258 -22.943 -10.006) 25.390 2.133 ( 3.669 3.915 2.189) 5.795 2.581 ( 23.901 -8.171 -19.018) 31.618 3.440 ( 10.717 -5.423 -27.957) 30.428 4.114 ( -1.523 2.614 2.176) 3.727 4.267 ( 0.514 -0.262 18.969) 18.978 4.522 ( -3.408 5.170 10.411) 12.114 4.802 ( 0.512 -8.892 19.672) 21.595 5.303 ( 2.578 -0.773 -4.928) 5.615 5.411 ( 4.290 -3.393 3.018) 6.248 5.714 ( -2.464 4.580 4.934) 7.169 5.906 ( 0.367 -1.894 -0.609) 2.023 6.357 ( -0.394 0.943 -6.882) 6.958 6.639 ( 0.089 3.921 -4.014) 5.612 7.016 ( -4.665 -2.052 1.664) 5.361 7.466 ( 1.489 1.796 14.535) 14.721 7.997 ( 1.313 -3.177 -9.414) 10.022 8.928 ( -5.699 5.844 -16.360) 18.283 9.348 ( 7.095 -7.110 -11.455) 15.235 9.580 ( 10.235 -5.603 8.456) 14.410 10.309 ( -1.892 0.945 3.042) 3.705 10.872 ( -4.283 3.682 -3.819) 6.818 10.935 ( -5.440 0.161 -6.151) 8.213 11.195 ( -4.536 5.549 11.688) 13.710 11.601 ( -0.764 0.186 11.485) 11.512 13.846 ( -15.293 -2.788 6.423) 16.820 14.192 ( -0.789 18.470 0.354) 18.491 14.885 ( -1.963 -3.492 -11.123) 11.822 15.432 ( -2.728 -4.894 -11.906) 13.159 15.753 ( -1.776 14.083 24.055) 27.931 16.582 ( 0.959 -9.130 4.802) 10.361 16.819 ( 6.879 -9.403 13.416) 17.768 17.169 ( 7.986 -1.605 2.909) 8.650 17.745 ( 0.092 0.909 -11.671) 11.707 18.131 ( 3.387 2.129 -9.979) 10.751 18.504 ( 8.289 -6.731 -13.966) 17.580 19.507 ( -2.122 3.431 -3.722) 5.489 19.904 ( -3.899 -1.987 -1.125) 4.519 19.962 ( -11.234 3.649 2.539) 12.081 20.148 ( 5.475 1.690 0.421) 5.745 20.450 ( 0.850 -0.387 8.372) 8.424 ======================= Grid point 31 (25/126) ======================= q-point: (-0.37 -0.03 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 3.967 0.160 -2.714) 4.809 1.642 ( -6.002 4.044 1.582) 7.408 2.835 ( 15.143 15.373 -4.241) 21.991 3.082 ( -14.981 1.224 6.061) 16.207 3.375 ( 17.393 0.863 -17.266) 24.523 4.029 ( -7.535 -1.545 -5.066) 9.211 4.309 ( -4.516 -2.604 -1.827) 5.524 4.668 ( 6.839 1.148 11.667) 13.572 4.829 ( -1.344 0.149 4.101) 4.318 5.231 ( 1.124 6.410 -2.140) 6.851 5.483 ( -0.258 2.939 -5.720) 6.435 5.623 ( 5.612 3.459 12.263) 13.923 6.062 ( -4.047 -7.674 -0.737) 8.707 6.401 ( 2.062 0.796 -7.629) 7.943 6.652 ( 3.284 -8.809 -3.119) 9.905 6.886 ( -4.370 7.430 9.664) 12.950 7.263 ( 1.280 -0.763 -3.292) 3.614 8.253 ( -1.358 0.943 8.817) 8.971 8.938 ( -0.283 -4.192 1.077) 4.337 9.300 ( -0.996 8.701 -14.260) 16.734 10.081 ( 10.664 0.138 5.554) 12.025 10.281 ( 3.195 3.075 -1.014) 4.548 10.391 ( -10.952 -1.505 1.811) 11.202 10.891 ( -2.135 -4.346 -5.777) 7.538 11.048 ( -0.429 -2.642 0.222) 2.686 11.604 ( -1.310 -1.249 8.056) 8.256 13.224 ( -4.818 0.573 0.444) 4.872 14.316 ( -1.953 -12.583 -0.940) 12.768 14.947 ( 0.599 -8.563 -2.927) 9.069 15.172 ( -3.508 -2.865 1.310) 4.715 15.632 ( 1.546 7.695 2.374) 8.200 16.549 ( -0.907 7.617 1.315) 7.782 17.160 ( -0.730 5.216 -0.126) 5.268 17.218 ( -0.841 4.866 3.308) 5.944 17.942 ( 7.977 -3.912 2.008) 9.109 18.242 ( 0.432 -1.967 -5.684) 6.030 18.801 ( 5.460 4.903 -7.860) 10.754 19.456 ( 1.784 -4.132 -0.235) 4.507 19.629 ( -6.001 -2.462 -1.003) 6.563 19.764 ( -3.680 2.305 3.391) 5.509 20.303 ( -0.495 0.063 2.895) 2.938 20.409 ( 1.686 -1.503 0.486) 2.311 ======================= Grid point 32 (26/126) ======================= q-point: ( 0.63 -0.03 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.708 -0.646 0.620) 1.142 1.633 ( 0.222 2.259 -1.354) 2.643 2.896 ( -12.874 14.640 8.287) 21.183 3.462 ( 10.022 11.310 -0.216) 15.113 3.646 ( -0.691 0.785 -2.775) 2.966 3.910 ( 3.114 -0.744 -14.897) 15.237 4.138 ( -4.329 -1.208 -7.204) 8.491 4.464 ( -10.638 2.881 1.450) 11.117 5.055 ( 0.606 5.911 7.530) 9.592 5.402 ( 2.326 4.879 -0.858) 5.473 5.556 ( -5.796 -3.527 5.541) 8.760 5.703 ( -1.068 0.526 -0.317) 1.232 5.880 ( 6.109 -0.468 3.597) 7.105 6.398 ( 1.003 -4.745 -2.037) 5.260 6.554 ( 3.185 -5.027 0.912) 6.020 6.966 ( -2.417 5.630 -0.618) 6.158 7.286 ( -1.745 1.509 -8.282) 8.597 8.175 ( 1.586 -4.746 14.237) 15.091 8.940 ( 1.539 1.158 6.787) 7.055 9.443 ( -1.493 6.360 -17.240) 18.436 10.084 ( -7.901 1.968 4.016) 9.079 10.260 ( 2.550 -1.178 0.312) 2.826 10.571 ( 9.395 4.002 5.210) 11.464 10.732 ( -0.548 -5.162 -7.534) 9.149 10.979 ( -0.802 -2.947 0.152) 3.058 11.505 ( -2.124 -4.388 5.182) 7.114 13.289 ( 5.278 4.671 -6.327) 9.471 14.004 ( -1.943 -12.183 -0.274) 12.340 14.754 ( -2.131 -15.699 -7.573) 17.560 14.882 ( 5.463 -10.347 17.311) 20.894 16.016 ( -0.670 16.709 -4.196) 17.241 16.632 ( -2.693 5.791 -11.032) 12.748 17.193 ( -7.059 8.626 -0.115) 11.147 17.363 ( -0.115 6.275 3.905) 7.391 17.964 ( 2.321 -4.467 5.479) 7.440 18.197 ( 1.830 -3.679 -0.774) 4.181 19.012 ( 1.807 7.435 -1.510) 7.799 19.406 ( 1.762 -4.985 -1.100) 5.400 19.473 ( -0.406 -4.473 3.065) 5.437 19.768 ( 0.774 0.848 -0.703) 1.346 20.261 ( -2.514 -0.741 0.972) 2.796 20.414 ( 0.902 -0.856 -0.394) 1.304 ======================= Grid point 33 (27/126) ======================= q-point: ( 0.63 -0.03 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -0.324 0.542 2.813) 2.883 1.690 ( 3.355 -2.162 -3.292) 5.174 3.020 ( -11.126 15.845 -7.340) 20.706 3.395 ( -13.288 -2.143 -5.843) 14.673 3.764 ( -1.520 5.901 14.869) 16.069 3.988 ( 3.618 3.918 1.971) 5.686 4.129 ( -0.527 4.474 -1.379) 4.711 4.564 ( 8.753 3.132 -13.647) 16.512 4.958 ( -15.476 -3.530 4.495) 16.497 5.290 ( -5.330 3.828 -7.876) 10.252 5.512 ( -3.883 1.480 5.761) 7.103 5.683 ( -0.684 3.179 2.287) 3.975 6.075 ( 5.418 -1.826 5.889) 8.208 6.310 ( 8.454 -8.021 2.418) 11.902 6.548 ( -2.658 0.313 1.784) 3.217 6.966 ( 0.697 -2.150 -14.033) 14.214 7.296 ( -5.378 8.354 3.182) 10.433 8.181 ( 7.743 -6.425 11.595) 15.352 8.922 ( -4.712 -0.824 0.138) 4.785 9.541 ( 1.853 4.083 -11.306) 12.163 9.992 ( -8.072 5.532 2.542) 10.110 10.316 ( 2.296 -0.540 3.254) 4.019 10.583 ( 1.026 -5.545 -0.792) 5.694 10.759 ( 2.801 -1.703 -6.192) 7.006 11.009 ( 3.549 2.499 10.887) 11.720 11.374 ( 0.265 -4.198 -2.846) 5.079 13.585 ( 11.382 5.137 -9.033) 15.412 13.731 ( -4.810 -7.973 7.666) 12.061 14.430 ( 4.912 -13.282 -11.452) 18.212 14.904 ( 13.179 -8.180 14.623) 21.317 16.129 ( -13.687 9.787 -5.140) 17.594 16.727 ( -1.566 5.186 -8.891) 10.412 17.250 ( -4.549 8.003 -2.814) 9.626 17.413 ( -7.064 5.930 -1.006) 9.278 17.878 ( 0.017 -5.227 8.834) 10.264 18.202 ( 4.729 -1.875 2.861) 5.836 19.144 ( -4.152 5.940 5.929) 9.363 19.338 ( 2.148 -3.302 0.936) 4.049 19.435 ( 4.644 -4.658 -2.324) 6.976 19.799 ( 3.203 -3.125 -4.088) 6.060 20.209 ( -1.598 1.335 -0.123) 2.086 20.410 ( -0.045 -0.161 0.959) 0.973 ======================= Grid point 34 (28/126) ======================= q-point: ( 0.63 -0.03 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.191 0.520 2.392) 2.455 1.656 ( -1.285 -2.806 -1.745) 3.545 2.894 ( -11.238 -8.853 -12.974) 19.314 3.122 ( -9.482 6.866 -11.762) 16.595 3.862 ( -4.152 1.901 18.485) 19.041 4.071 ( -2.599 4.480 2.856) 5.914 4.307 ( 4.107 3.090 3.537) 6.240 4.574 ( -4.747 0.564 2.183) 5.255 4.783 ( 0.409 4.176 -6.665) 7.876 5.278 ( -5.162 4.042 -7.100) 9.664 5.468 ( -5.579 3.581 -5.277) 8.473 5.719 ( -0.573 -3.817 5.582) 6.786 6.010 ( 3.005 -3.513 8.105) 9.331 6.416 ( 1.932 -3.351 -4.826) 6.185 6.475 ( 7.532 -3.030 -2.459) 8.482 7.002 ( -1.119 4.160 1.105) 4.448 7.364 ( -5.905 8.539 5.500) 11.749 8.150 ( 6.127 -10.100 5.207) 12.910 8.769 ( -2.653 -3.882 -9.623) 10.710 9.639 ( -5.116 4.409 0.667) 6.787 9.986 ( -0.212 4.121 -3.886) 5.668 10.348 ( -0.423 3.107 5.959) 6.734 10.422 ( -2.976 -6.870 -0.976) 7.550 10.871 ( 5.892 1.745 -0.340) 6.155 11.012 ( 1.071 -4.948 3.730) 6.288 11.426 ( 4.400 2.349 -1.199) 5.130 13.468 ( -8.029 -2.628 12.490) 15.079 13.916 ( 14.442 0.036 -8.604) 16.810 14.487 ( 14.884 -2.445 -15.472) 21.607 15.053 ( 11.424 -3.390 10.191) 15.680 15.969 ( -14.604 5.183 -1.690) 15.589 16.702 ( -8.982 3.462 -1.320) 9.716 17.225 ( -7.550 2.652 -4.165) 9.021 17.386 ( -4.967 0.400 2.320) 5.497 17.825 ( 2.928 0.065 1.302) 3.206 18.276 ( 4.720 -2.563 3.099) 6.201 19.055 ( -7.916 -1.258 3.414) 8.712 19.374 ( 3.407 0.838 -0.321) 3.523 19.469 ( 6.985 -4.035 -3.490) 8.789 19.762 ( -1.245 -1.177 -1.141) 2.059 20.251 ( 1.610 1.081 -0.634) 2.040 20.423 ( 0.022 1.681 2.377) 2.912 ======================= Grid point 35 (29/126) ======================= q-point: (-0.37 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.473 -4.329 -2.595) 5.069 1.571 ( -4.607 2.367 0.149) 5.181 2.477 ( -1.809 -14.026 -10.119) 17.389 3.147 ( -2.393 4.136 -18.031) 18.653 3.596 ( -8.894 -7.597 4.450) 12.515 4.100 ( -2.775 5.656 5.860) 8.604 4.359 ( 0.751 -1.501 7.634) 7.817 4.703 ( -1.162 3.584 17.298) 17.703 4.843 ( 1.539 -2.173 -1.779) 3.202 5.153 ( -5.219 -1.476 -10.199) 11.552 5.431 ( -1.982 5.203 -12.894) 14.044 5.600 ( -1.566 -4.005 6.174) 7.524 6.084 ( 5.704 -2.334 7.328) 9.575 6.361 ( 0.295 -1.373 -11.134) 11.222 6.617 ( 6.735 -0.085 0.077) 6.736 6.985 ( -6.336 0.811 9.792) 11.691 7.401 ( -4.800 4.984 4.621) 8.320 8.082 ( 4.737 -5.452 1.041) 7.297 8.757 ( 6.052 0.533 -14.051) 15.308 9.488 ( -11.004 0.232 1.898) 11.169 10.049 ( 1.665 -8.114 1.307) 8.386 10.246 ( -1.501 -0.699 -2.390) 2.907 10.468 ( -1.471 10.576 3.803) 11.335 10.926 ( 2.251 -2.955 -2.057) 4.247 11.048 ( 3.522 2.323 1.424) 4.453 11.552 ( 2.933 1.649 4.514) 5.630 13.345 ( -6.061 5.711 9.974) 12.993 14.224 ( 16.543 -0.970 -4.258) 17.109 14.793 ( 11.735 0.943 -11.707) 16.603 15.169 ( -0.530 2.330 -6.883) 7.285 15.818 ( -5.719 2.867 15.354) 16.633 16.540 ( -9.922 0.843 1.238) 10.034 17.163 ( -4.536 3.973 -4.063) 7.271 17.184 ( -4.008 -7.353 8.493) 11.927 17.934 ( 4.121 -1.644 -5.087) 6.750 18.256 ( 1.562 -4.115 -0.328) 4.414 18.822 ( -5.836 -5.990 -7.034) 10.928 19.513 ( 4.109 -2.230 -1.968) 5.073 19.538 ( 4.185 5.824 0.864) 7.224 19.741 ( -2.326 3.389 0.831) 4.193 20.283 ( 1.345 -0.971 1.710) 2.383 20.458 ( -0.434 0.965 2.553) 2.764 ======================= Grid point 36 (30/126) ======================= q-point: (-0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 7.937 -14.455 -18.160) 24.530 0.978 ( -0.018 -18.296 -20.944) 27.810 1.557 ( -3.167 -27.158 -20.889) 34.408 2.067 ( 0.234 6.318 -54.238) 54.606 2.374 ( -0.241 2.301 4.996) 5.506 4.555 ( 0.580 11.643 11.066) 16.073 4.673 ( -0.224 1.914 13.674) 13.809 4.868 ( -5.818 8.177 5.546) 11.466 5.041 ( 7.279 -2.271 5.941) 9.666 5.125 ( -1.986 -2.926 -2.102) 4.114 5.368 ( -0.012 -11.773 11.302) 16.319 5.920 ( -4.782 2.170 7.422) 9.092 6.012 ( 5.325 -2.962 10.997) 12.573 6.272 ( -0.010 1.109 -3.756) 3.916 6.561 ( -0.778 0.565 -2.757) 2.920 6.890 ( 0.091 2.893 -20.038) 20.246 7.725 ( -3.636 3.125 9.829) 10.936 7.890 ( 3.923 -9.721 9.788) 14.342 8.781 ( 5.013 0.288 -13.019) 13.953 8.832 ( -4.738 -4.323 -12.183) 13.769 9.321 ( -0.286 -9.314 -0.947) 9.366 10.516 ( -0.071 3.239 6.061) 6.873 10.860 ( 0.116 1.959 -5.266) 5.620 10.903 ( -0.162 -0.135 -1.269) 1.287 11.641 ( -0.399 7.628 9.692) 12.340 11.881 ( 0.335 1.071 9.338) 9.405 14.225 ( -1.736 11.299 4.362) 12.236 14.538 ( 3.412 -0.342 0.503) 3.466 14.570 ( -1.259 -1.668 -4.828) 5.260 15.261 ( -0.082 4.606 -6.054) 7.608 16.452 ( 0.481 0.623 5.218) 5.277 16.502 ( -2.974 6.818 11.945) 14.071 16.886 ( 2.401 -5.996 10.682) 12.483 17.051 ( -0.359 -14.076 11.746) 18.336 17.563 ( 0.477 4.591 -11.553) 12.441 17.821 ( -1.558 -3.476 -11.726) 12.329 17.928 ( 1.048 -9.456 -12.492) 15.702 19.501 ( -0.220 1.409 -3.458) 3.741 19.896 ( 1.002 0.849 -1.087) 1.704 19.969 ( -0.658 -2.423 -2.154) 3.308 20.296 ( 0.273 4.523 1.465) 4.762 20.647 ( -0.288 1.883 7.193) 7.441 ======================= Grid point 38 (31/126) ======================= q-point: (-0.16 -0.04 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 4.126 2.897 -10.218) 11.394 1.621 ( 11.564 27.301 -9.413) 31.108 1.885 ( 21.554 2.676 -25.950) 33.840 2.270 ( 3.268 -5.124 -1.431) 6.244 2.851 ( 38.843 16.824 -17.406) 45.769 4.183 ( -14.615 -6.348 7.341) 17.544 4.515 ( -13.463 -2.149 5.560) 14.724 4.645 ( -4.243 -1.292 9.515) 10.498 5.126 ( -1.940 1.791 -7.386) 7.844 5.210 ( 7.260 0.854 -0.252) 7.314 5.650 ( 6.017 0.184 15.774) 16.883 5.723 ( -4.136 0.266 12.034) 12.728 6.137 ( 1.690 -0.517 4.390) 4.733 6.210 ( -3.925 -1.243 -6.082) 7.345 6.479 ( -0.861 -3.754 -5.131) 6.416 6.910 ( 2.005 4.441 -8.226) 9.561 7.548 ( -7.712 -1.953 8.617) 11.728 8.214 ( 11.381 3.497 6.708) 13.665 8.749 ( 2.729 -9.439 -10.361) 14.280 8.988 ( 1.849 10.828 -11.839) 16.149 9.649 ( 13.283 7.939 1.681) 15.565 10.408 ( -4.736 -1.692 5.354) 7.346 10.752 ( -4.501 -3.310 -2.432) 6.093 10.867 ( -3.154 -0.704 -3.805) 4.992 11.356 ( -10.896 -6.070 5.880) 13.789 11.859 ( -0.885 -1.117 8.613) 8.730 13.845 ( -15.616 -5.056 8.011) 18.265 14.320 ( -3.723 -11.573 -6.664) 13.864 14.791 ( 3.579 1.644 -1.555) 4.234 15.179 ( -0.683 4.709 -7.914) 9.234 16.093 ( -9.523 -10.097 17.053) 21.987 16.619 ( -1.244 6.633 -0.135) 6.750 17.118 ( 3.425 7.570 4.742) 9.567 17.307 ( 7.070 3.792 10.530) 13.238 17.526 ( 5.718 -3.948 -5.590) 8.918 17.888 ( 4.527 0.376 -11.269) 12.150 18.235 ( 9.942 7.165 -11.042) 16.496 19.430 ( -1.402 -2.826 -1.936) 3.701 19.860 ( -5.839 -3.516 -4.630) 8.240 19.983 ( -2.604 6.501 -0.333) 7.011 20.243 ( 4.028 -4.739 4.505) 7.679 20.571 ( -3.619 -0.936 5.897) 6.982 ======================= Grid point 39 (32/126) ======================= q-point: (-0.16 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 4.337 2.060 -4.479) 6.566 1.890 ( -7.401 0.585 2.440) 7.815 2.534 ( 22.980 8.984 -18.473) 30.822 2.668 ( 23.497 12.478 -5.523) 27.172 3.662 ( -5.856 5.044 10.338) 12.907 4.078 ( -1.764 4.219 -8.053) 9.261 4.203 ( 7.472 6.982 -2.702) 10.577 4.506 ( -6.468 1.616 1.513) 6.836 5.167 ( -1.033 3.801 -3.956) 5.582 5.375 ( 1.760 0.461 -2.279) 2.916 5.451 ( 0.571 -4.188 13.422) 14.071 5.866 ( -0.859 0.151 9.323) 9.364 6.054 ( -3.428 -2.268 -0.046) 4.111 6.110 ( 2.215 -5.934 -5.551) 8.422 6.425 ( 0.945 -2.223 1.933) 3.094 7.118 ( 3.516 5.675 -4.242) 7.910 7.344 ( -8.886 1.771 5.710) 10.710 8.363 ( 2.492 -8.996 5.618) 10.895 8.692 ( 10.249 -1.255 -5.310) 11.610 9.259 ( -0.848 12.913 -12.392) 17.917 10.123 ( 10.431 7.233 8.706) 15.392 10.283 ( -0.672 0.306 0.843) 1.121 10.559 ( -6.815 -3.029 -0.152) 7.460 10.738 ( -4.064 -4.555 -4.032) 7.316 11.038 ( -6.665 -4.898 1.141) 8.350 11.777 ( -2.149 -4.017 7.319) 8.621 13.452 ( -12.499 -2.942 5.170) 13.842 13.955 ( -7.341 -11.076 -13.036) 18.614 14.697 ( 3.055 -10.965 7.566) 13.668 15.506 ( 11.206 4.900 -12.290) 17.339 15.686 ( -13.548 -1.018 22.909) 26.634 16.640 ( -7.380 4.352 -12.927) 15.508 17.317 ( 0.943 6.976 1.500) 7.197 17.527 ( 3.774 6.828 8.608) 11.618 17.616 ( 10.482 -5.182 1.123) 11.746 17.998 ( 3.835 0.721 -7.930) 8.839 18.619 ( 9.755 9.803 -7.405) 15.687 19.348 ( -0.592 -2.819 -0.862) 3.006 19.621 ( -5.713 -6.263 -2.232) 8.767 20.007 ( -6.152 3.058 3.251) 7.600 20.255 ( 6.299 -4.091 1.705) 7.702 20.474 ( -4.366 -0.260 2.914) 5.256 ======================= Grid point 40 (33/126) ======================= q-point: (-0.16 -0.04 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 3.895 2.246 -1.400) 4.709 1.706 ( -5.756 -3.058 1.327) 6.652 3.152 ( 19.766 5.219 -10.857) 23.147 3.355 ( 17.488 6.241 -4.835) 19.187 3.574 ( -13.404 9.791 -0.872) 16.622 3.866 ( -4.883 7.582 0.071) 9.019 4.183 ( -12.324 -0.869 0.678) 12.373 4.964 ( -7.945 -5.885 12.836) 16.203 5.140 ( 18.187 14.880 0.561) 23.505 5.450 ( -0.123 7.897 -4.156) 8.925 5.589 ( 4.295 -2.378 -1.530) 5.142 5.677 ( -5.195 -0.698 4.514) 6.917 5.953 ( 0.748 -6.682 4.914) 8.328 6.112 ( 6.852 -1.099 -12.931) 14.676 6.328 ( -3.248 -6.246 6.594) 9.646 6.947 ( -10.231 -8.568 -9.973) 16.660 7.515 ( 1.272 13.023 8.001) 15.337 8.165 ( 3.472 -10.948 4.758) 12.432 9.004 ( 11.775 5.430 0.989) 13.005 9.395 ( -10.079 8.029 -10.734) 16.771 10.125 ( 3.782 -3.198 3.139) 5.864 10.344 ( -6.134 -3.062 2.157) 7.187 10.546 ( -1.792 -2.403 -3.012) 4.250 10.664 ( 3.814 7.006 4.726) 9.271 10.900 ( 2.460 -0.327 -1.953) 3.158 11.591 ( -4.504 -7.379 5.688) 10.349 13.254 ( -3.956 1.203 -1.366) 4.354 13.606 ( -5.313 -8.657 -14.921) 18.050 14.606 ( 6.672 -6.188 12.085) 15.128 15.164 ( -10.128 -13.697 22.492) 28.214 16.039 ( 9.208 13.275 -11.736) 19.969 16.525 ( -10.311 2.911 -16.902) 20.012 17.442 ( -1.898 5.778 -0.029) 6.082 17.698 ( 7.730 -5.592 -0.261) 9.544 17.736 ( 0.971 7.479 7.811) 10.857 18.049 ( 2.593 -2.127 -2.240) 4.033 19.029 ( 7.495 10.842 -2.553) 13.425 19.293 ( 0.378 -2.163 -0.782) 2.331 19.419 ( -0.639 -4.948 -0.193) 4.993 19.851 ( -7.472 -3.980 2.449) 8.813 20.317 ( 4.080 -1.186 1.699) 4.575 20.383 ( -3.798 0.091 0.669) 3.858 ======================= Grid point 41 (34/126) ======================= q-point: (-0.16 -0.04 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.232 0.899 0.989) 1.357 1.564 ( 1.314 -1.177 -0.842) 1.955 3.189 ( -17.610 2.865 -11.947) 21.472 3.513 ( -1.625 -3.723 -7.029) 8.119 3.794 ( 0.581 1.230 -2.772) 3.088 3.964 ( 13.693 6.646 0.213) 15.222 4.345 ( 7.991 16.883 6.458) 19.764 4.537 ( -7.635 -15.068 10.913) 20.110 5.324 ( -19.976 7.229 -0.679) 21.255 5.521 ( -7.550 7.795 1.492) 10.954 5.717 ( 5.496 0.983 9.242) 10.797 5.790 ( -1.515 -4.145 3.832) 5.844 5.901 ( 14.919 -1.214 1.436) 15.037 5.998 ( 3.967 -10.257 1.936) 11.166 6.426 ( -6.792 -2.075 -14.398) 16.054 6.533 ( 5.746 0.889 -16.453) 17.450 7.756 ( -1.578 9.436 9.531) 13.505 8.048 ( 5.360 -11.489 7.431) 14.695 9.126 ( -17.055 1.509 -2.664) 17.328 9.414 ( 11.322 5.253 -1.857) 12.619 10.134 ( -8.120 -2.983 -2.995) 9.154 10.246 ( 6.514 1.524 -2.750) 7.233 10.557 ( 1.281 1.885 3.045) 3.804 10.612 ( 0.186 -3.145 0.609) 3.209 11.206 ( 5.824 8.500 4.428) 11.215 11.287 ( -4.801 -9.472 2.610) 10.936 13.325 ( 3.464 3.381 -8.032) 9.378 13.428 ( 4.733 -4.997 -11.124) 13.081 14.587 ( -11.713 -1.908 19.749) 23.040 14.842 ( 9.517 -4.257 13.857) 17.341 16.297 ( -10.564 2.475 -12.296) 16.398 16.489 ( 9.431 4.253 -13.879) 17.310 17.467 ( -6.104 4.541 -0.925) 7.664 17.682 ( -0.237 -3.204 -0.926) 3.344 17.833 ( -3.048 2.484 3.251) 5.102 18.070 ( 6.633 -3.862 3.580) 8.470 19.241 ( 1.577 1.504 0.661) 2.277 19.267 ( 1.085 -1.502 0.321) 1.880 19.483 ( -4.967 0.381 1.887) 5.327 19.595 ( 3.309 -1.658 -2.769) 4.622 20.296 ( -3.867 0.730 0.913) 4.040 20.395 ( 3.728 -0.570 1.471) 4.048 ======================= Grid point 43 (35/126) ======================= q-point: (-0.16 -0.04 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -1.282 -4.529 -1.376) 4.904 1.713 ( 3.158 5.500 1.636) 6.550 2.846 ( -17.461 -3.620 -11.643) 21.297 3.042 ( -21.209 -5.951 -10.565) 24.431 4.009 ( -2.493 -12.700 6.657) 14.554 4.103 ( 16.809 -0.448 -1.516) 16.883 4.367 ( 7.746 2.770 6.704) 10.612 4.844 ( -0.410 12.802 4.605) 13.612 5.074 ( -10.557 0.617 6.634) 12.483 5.278 ( -11.211 -4.762 -4.284) 12.912 5.544 ( -11.664 -6.069 -6.334) 14.595 5.680 ( -2.472 4.225 1.890) 5.247 6.033 ( 11.815 -7.596 1.104) 14.090 6.135 ( 0.840 -2.345 -8.573) 8.927 6.301 ( 7.241 5.514 8.704) 12.594 6.950 ( 8.085 9.660 -9.262) 15.635 7.785 ( -1.555 -7.895 10.033) 12.861 7.947 ( 2.560 1.380 2.737) 3.994 8.750 ( -16.358 -1.711 -3.116) 16.740 9.711 ( 6.332 -4.474 -8.523) 11.522 9.927 ( -6.179 5.838 1.902) 8.710 10.378 ( 1.048 0.991 0.144) 1.449 10.534 ( 1.668 2.670 1.841) 3.647 10.787 ( 5.203 -1.151 1.555) 5.551 10.899 ( -3.105 -7.211 0.484) 7.866 11.528 ( 4.617 7.330 5.494) 10.258 13.440 ( 10.363 -1.584 -4.907) 11.575 13.644 ( 10.003 3.771 -8.806) 13.849 14.337 ( -7.462 3.522 14.263) 16.478 15.098 ( 4.612 7.839 6.603) 11.239 16.084 ( -4.120 -4.784 -3.076) 7.023 16.724 ( 5.418 1.389 -10.935) 12.283 17.389 ( -8.886 3.523 -1.347) 9.653 17.589 ( -3.174 -1.612 -2.056) 4.110 17.731 ( -4.176 -3.908 5.168) 7.708 18.120 ( 4.943 -4.594 0.834) 6.799 19.075 ( -10.377 -11.174 -3.012) 15.544 19.297 ( 2.803 -0.265 -0.444) 2.851 19.357 ( 3.063 4.332 -0.288) 5.313 19.849 ( 3.426 7.544 2.422) 8.632 20.239 ( -1.391 -0.784 0.427) 1.653 20.465 ( 3.108 0.383 1.828) 3.626 ======================= Grid point 44 (36/126) ======================= q-point: (-0.16 -0.04 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -1.767 -5.144 -4.407) 7.000 1.852 ( -8.782 6.870 1.944) 11.318 2.265 ( -15.965 -9.351 -6.210) 19.517 2.506 ( -12.422 -14.350 -22.738) 29.618 3.815 ( -1.522 -4.710 8.676) 9.989 4.239 ( -10.325 -24.945 -7.069) 27.908 4.455 ( 13.291 1.050 7.809) 15.451 4.583 ( 1.178 2.694 5.374) 6.126 5.049 ( -12.110 5.935 -6.913) 15.155 5.186 ( -3.348 0.687 -4.015) 5.273 5.458 ( 6.511 7.731 5.830) 11.668 5.765 ( -4.292 8.624 3.572) 10.274 6.046 ( 3.610 -7.528 6.309) 10.465 6.185 ( 2.742 0.447 -3.788) 4.698 6.447 ( 4.610 -0.754 0.719) 4.726 7.117 ( -3.351 -1.345 -2.399) 4.336 7.621 ( 6.376 -6.108 6.833) 11.164 8.114 ( -2.493 7.538 5.426) 9.617 8.460 ( -6.323 1.315 -9.744) 11.690 9.455 ( -5.811 -10.729 -10.278) 15.954 10.085 ( -3.515 -2.024 8.415) 9.342 10.250 ( -3.318 0.324 -1.370) 3.604 10.660 ( 4.238 -1.716 -5.420) 7.091 10.706 ( 2.746 5.814 1.476) 6.597 11.104 ( 8.530 5.344 4.171) 10.896 11.719 ( 1.968 4.778 6.910) 8.628 13.707 ( 13.574 1.454 1.535) 13.738 13.894 ( 4.946 7.257 0.587) 8.802 14.479 ( 5.343 8.887 1.089) 10.426 15.202 ( -10.233 7.009 -12.776) 17.807 16.039 ( 10.528 -4.984 17.985) 21.428 16.763 ( -2.677 -0.002 -5.637) 6.240 17.281 ( -7.163 3.102 -1.032) 7.874 17.430 ( -10.398 -2.214 8.040) 13.329 17.580 ( 3.871 -8.078 -5.171) 10.343 18.063 ( 1.372 -6.720 -2.972) 7.475 18.618 ( -10.596 -10.618 -8.281) 17.135 19.363 ( 3.627 -0.007 -1.010) 3.766 19.581 ( 5.164 7.953 -1.928) 9.676 19.980 ( -5.131 6.558 3.089) 8.881 20.219 ( 3.875 -3.483 1.904) 5.547 20.537 ( 2.263 1.052 2.675) 3.658 ======================= Grid point 45 (37/126) ======================= q-point: (-0.16 -0.04 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -1.206 -3.663 -11.917) 12.525 1.289 ( -29.058 -8.389 -9.527) 31.710 1.951 ( -6.199 -16.763 -32.800) 37.353 2.210 ( 5.295 1.038 0.685) 5.439 2.966 ( -16.024 -42.005 -13.487) 46.937 4.205 ( 5.668 11.453 4.731) 13.627 4.634 ( -1.278 4.145 13.134) 13.832 4.748 ( 6.332 3.849 10.413) 12.781 4.972 ( -4.181 3.149 -2.641) 5.863 5.176 ( 0.196 0.218 -6.920) 6.926 5.609 ( -1.175 -5.582 13.226) 14.404 5.866 ( 4.212 4.232 7.197) 9.352 5.959 ( -2.898 1.778 5.456) 6.429 6.240 ( 0.630 1.313 -4.109) 4.360 6.531 ( 4.244 -0.513 -5.826) 7.226 6.921 ( -4.744 -3.322 -6.212) 8.493 7.712 ( 3.335 0.622 8.362) 9.024 8.019 ( -5.024 -2.722 6.499) 8.654 8.605 ( 5.267 5.840 -12.606) 14.858 9.109 ( -6.691 -9.335 -9.922) 15.177 9.670 ( -7.727 -14.041 1.226) 16.074 10.400 ( 1.972 5.747 4.573) 7.604 10.767 ( 3.117 2.735 -4.919) 6.434 10.858 ( 0.786 4.346 -0.832) 4.495 11.404 ( 6.054 8.061 7.042) 12.297 11.825 ( 1.034 2.723 8.266) 8.764 13.992 ( 2.771 9.540 6.573) 11.912 14.232 ( 13.622 4.957 2.310) 14.679 14.691 ( -2.220 2.802 -5.189) 6.301 15.140 ( -2.579 5.508 -14.217) 15.463 16.234 ( 11.320 -0.101 20.151) 23.113 16.641 ( -8.957 0.951 0.579) 9.026 17.118 ( -9.988 -5.146 13.101) 17.260 17.226 ( -1.625 -1.579 2.247) 3.191 17.516 ( 3.996 -5.701 -9.471) 11.755 17.936 ( 0.357 -6.303 -7.531) 9.827 18.213 ( -7.972 -9.350 -12.304) 17.389 19.443 ( 3.071 0.745 -2.195) 3.848 19.845 ( 3.312 6.282 -3.976) 8.139 19.955 ( -6.062 4.612 -1.152) 7.704 20.234 ( 4.247 -3.393 5.574) 7.785 20.600 ( 0.961 1.776 5.075) 5.462 ======================= Grid point 46 (38/126) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -15.720 22.450 -0.000) 27.407 0.586 ( -0.190 24.587 0.000) 24.588 0.912 ( 0.001 12.313 0.000) 12.313 1.305 ( 5.210 61.517 0.000) 61.738 2.430 ( 0.043 -2.603 -0.000) 2.603 4.681 ( -0.975 -13.949 -0.000) 13.983 4.836 ( 1.053 -2.259 0.000) 2.492 4.889 ( 1.373 -6.765 0.000) 6.903 5.097 ( 0.504 -2.206 0.000) 2.263 5.143 ( -0.117 0.328 -0.000) 0.348 5.508 ( -0.437 12.644 0.000) 12.652 6.004 ( -0.824 -1.948 -0.000) 2.115 6.226 ( 0.180 -2.520 -0.000) 2.526 6.243 ( -0.774 -3.228 -0.000) 3.319 6.519 ( -0.023 -3.797 -0.000) 3.797 6.664 ( 0.367 3.733 0.000) 3.751 7.833 ( 3.310 -3.527 0.000) 4.837 8.040 ( -3.818 5.179 -0.000) 6.434 8.630 ( -5.192 0.211 -0.000) 5.196 8.686 ( 4.992 5.509 0.000) 7.434 9.305 ( 0.244 9.943 0.000) 9.946 10.587 ( -0.125 -3.173 -0.000) 3.176 10.798 ( 0.099 -2.629 -0.000) 2.631 10.947 ( 0.310 -2.520 -0.000) 2.539 11.727 ( 0.562 -7.892 -0.000) 7.912 11.983 ( -0.414 -1.209 -0.000) 1.279 14.289 ( 0.386 -5.741 -0.000) 5.754 14.502 ( 7.752 -3.476 0.000) 8.496 14.545 ( -8.036 0.656 -0.000) 8.063 15.195 ( -0.729 -5.764 -0.000) 5.810 16.503 ( 0.491 0.759 0.000) 0.904 16.654 ( 1.697 -6.456 0.000) 6.675 17.025 ( 2.363 5.079 0.000) 5.601 17.301 ( -3.309 8.773 -0.000) 9.376 17.393 ( -1.711 -4.694 -0.000) 4.996 17.666 ( 3.290 3.253 0.000) 4.627 17.773 ( -1.849 9.810 -0.000) 9.983 19.468 ( 0.248 -0.509 0.000) 0.566 19.885 ( -0.844 -0.722 -0.000) 1.110 19.931 ( -0.068 -3.423 -0.000) 3.424 20.310 ( 0.297 1.741 0.000) 1.766 20.724 ( 0.091 -2.212 -0.000) 2.214 ======================= Grid point 47 (39/126) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 4.208 9.672 0.000) 10.548 1.199 ( 34.277 8.804 0.000) 35.389 1.483 ( 11.332 24.700 0.000) 27.176 2.224 ( -6.444 3.076 -0.000) 7.141 2.833 ( 17.509 45.494 0.000) 48.747 4.262 ( -6.916 -13.877 -0.000) 15.505 4.806 ( -0.288 -2.250 -0.000) 2.268 4.869 ( 12.107 -10.436 0.000) 15.984 4.934 ( -16.105 -0.985 -0.000) 16.135 5.040 ( 0.883 -2.927 0.000) 3.057 5.824 ( 3.754 9.292 0.000) 10.021 5.839 ( -8.217 -3.476 -0.000) 8.922 6.145 ( 1.748 -5.379 0.000) 5.656 6.181 ( 1.645 -4.876 0.000) 5.146 6.429 ( -3.334 0.517 -0.000) 3.374 6.852 ( 5.474 7.543 0.000) 9.320 7.804 ( -3.547 -1.557 -0.000) 3.874 8.109 ( 4.833 3.400 0.000) 5.909 8.458 ( -5.411 -6.332 -0.000) 8.329 8.991 ( 6.333 10.239 0.000) 12.039 9.677 ( 8.360 14.949 0.000) 17.128 10.455 ( -2.140 -6.827 -0.000) 7.155 10.710 ( -1.881 -3.708 -0.000) 4.158 10.861 ( -2.131 -3.589 -0.000) 4.174 11.478 ( -6.178 -8.970 -0.000) 10.891 11.917 ( -1.324 -3.051 -0.000) 3.326 14.082 ( -5.539 -7.287 -0.000) 9.153 14.238 ( -15.497 -4.556 -0.000) 16.153 14.688 ( 14.684 -2.338 0.000) 14.869 14.933 ( -7.072 -9.611 -0.000) 11.932 16.511 ( -4.310 1.522 -0.000) 4.571 16.610 ( 2.402 -2.316 0.000) 3.337 17.254 ( 0.402 -4.620 -0.000) 4.638 17.283 ( 11.478 2.297 0.000) 11.705 17.395 ( -5.913 10.933 -0.000) 12.429 17.849 ( 0.148 8.986 0.000) 8.988 18.061 ( 9.157 9.962 0.000) 13.531 19.419 ( -3.062 -0.162 -0.000) 3.067 19.788 ( -3.302 -6.471 -0.000) 7.265 19.943 ( 7.420 -2.741 0.000) 7.910 20.307 ( -4.460 2.622 -0.000) 5.174 20.653 ( -1.511 -2.687 -0.000) 3.083 ======================= Grid point 48 (40/126) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 2.690 7.340 0.000) 7.818 1.878 ( 12.542 -7.901 0.000) 14.823 2.203 ( 13.760 16.885 0.000) 21.781 2.238 ( 15.235 9.393 0.000) 17.898 3.956 ( -2.184 -3.371 -0.000) 4.017 4.102 ( 16.742 36.815 0.000) 40.443 4.526 ( -20.155 0.777 -0.000) 20.170 4.695 ( -6.032 -2.599 -0.000) 6.568 4.936 ( 16.963 -12.413 0.000) 21.020 5.105 ( 8.754 0.963 0.000) 8.807 5.539 ( -9.602 -7.359 -0.000) 12.098 5.834 ( 2.297 -9.913 0.000) 10.176 6.088 ( -2.573 -2.771 -0.000) 3.781 6.167 ( -5.594 5.569 -0.000) 7.894 6.467 ( 0.859 4.848 0.000) 4.924 7.078 ( 1.752 0.313 0.000) 1.779 7.702 ( -6.575 7.430 -0.000) 9.921 8.167 ( -4.077 -10.149 -0.000) 10.937 8.367 ( 14.119 1.457 0.000) 14.194 9.329 ( 4.293 11.242 0.000) 12.033 10.188 ( 11.334 11.449 0.000) 16.110 10.222 ( -2.101 -11.173 -0.000) 11.368 10.594 ( -3.855 -0.469 -0.000) 3.883 10.733 ( -3.048 -2.197 -0.000) 3.758 11.149 ( -9.651 -5.892 -0.000) 11.307 11.798 ( -2.221 -5.131 -0.000) 5.591 13.787 ( -16.315 -5.219 -0.000) 17.129 13.803 ( -10.546 -3.081 -0.000) 10.987 14.609 ( -1.926 -9.412 -0.000) 9.607 14.959 ( 17.584 -5.672 0.000) 18.476 16.341 ( -13.128 0.930 -0.000) 13.161 16.615 ( -1.960 1.333 -0.000) 2.371 17.260 ( 7.716 -3.635 0.000) 8.530 17.459 ( 1.169 3.411 0.000) 3.606 17.595 ( 7.578 4.434 0.000) 8.780 18.028 ( -1.929 9.396 -0.000) 9.592 18.522 ( 12.358 11.915 0.000) 17.166 19.352 ( -3.368 0.241 -0.000) 3.377 19.555 ( -4.491 -7.062 -0.000) 8.369 20.012 ( 6.559 -6.433 0.000) 9.187 20.248 ( -5.621 2.804 -0.000) 6.282 20.565 ( -2.545 -1.543 -0.000) 2.976 ======================= Grid point 49 (41/126) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 1.589 5.344 0.000) 5.575 1.732 ( -3.447 -6.113 -0.000) 7.018 2.706 ( 15.509 2.757 0.000) 15.752 2.933 ( 26.305 6.620 0.000) 27.125 4.070 ( -22.115 1.973 -0.000) 22.203 4.086 ( 3.996 11.018 0.000) 11.721 4.456 ( -10.242 -2.058 -0.000) 10.447 4.877 ( 9.577 -15.856 0.000) 18.524 5.157 ( 6.882 9.742 0.000) 11.927 5.267 ( 9.934 4.203 0.000) 10.787 5.425 ( 15.835 0.958 0.000) 15.864 5.721 ( 4.916 -3.294 0.000) 5.917 5.986 ( -6.176 2.429 -0.000) 6.636 6.088 ( -12.299 6.205 -0.000) 13.775 6.444 ( -6.399 -5.215 -0.000) 8.255 6.801 ( -10.680 -13.291 -0.000) 17.050 7.917 ( -1.190 15.239 0.000) 15.285 7.963 ( 0.791 -5.381 -0.000) 5.439 8.728 ( 17.653 0.621 0.000) 17.664 9.594 ( -3.242 8.477 -0.000) 9.076 9.957 ( 3.356 -10.349 0.000) 10.880 10.368 ( -1.279 -3.728 -0.000) 3.941 10.549 ( -1.100 0.263 -0.000) 1.131 10.842 ( -8.620 -5.189 -0.000) 10.062 10.885 ( 6.481 14.113 0.000) 15.530 11.592 ( -5.097 -7.683 -0.000) 9.220 13.404 ( -11.249 -2.674 -0.000) 11.562 13.513 ( -13.014 -0.587 -0.000) 13.028 14.569 ( 8.284 0.196 0.000) 8.286 15.086 ( 8.933 -10.889 0.000) 14.084 16.131 ( -7.209 2.536 -0.000) 7.642 16.539 ( -7.467 -0.016 -0.000) 7.467 17.372 ( 8.754 -3.191 0.000) 9.318 17.560 ( 2.053 3.260 0.000) 3.852 17.795 ( 6.370 0.342 0.000) 6.379 18.132 ( -4.506 6.502 -0.000) 7.911 19.041 ( 12.067 12.616 0.000) 17.457 19.291 ( -2.887 0.313 -0.000) 2.904 19.352 ( -3.039 -4.008 -0.000) 5.030 19.877 ( -3.793 -8.833 -0.000) 9.613 20.245 ( 1.374 0.833 0.000) 1.606 20.485 ( -3.275 -0.291 -0.000) 3.288 ======================= Grid point 50 (42/126) ======================= q-point: ( 0.06 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 3.297 3.860 0.000) 5.077 1.547 ( -4.311 -3.711 -0.000) 5.688 3.052 ( 19.800 -2.979 0.000) 20.023 3.434 ( -2.150 3.859 -0.000) 4.417 3.760 ( 2.587 0.180 0.000) 2.593 3.959 ( -16.041 -7.059 -0.000) 17.526 4.417 ( -6.369 -19.971 -0.000) 20.962 4.674 ( 7.369 18.469 0.000) 19.885 5.304 ( 18.496 -11.283 0.000) 21.665 5.549 ( 10.291 -9.500 0.000) 14.005 5.876 ( 7.799 9.141 0.000) 12.016 5.907 ( -17.787 2.613 -0.000) 17.978 5.936 ( -10.321 -1.976 -0.000) 10.509 5.957 ( -7.113 8.878 -0.000) 11.376 6.222 ( 12.724 7.703 0.000) 14.874 6.298 ( -8.246 -6.618 -0.000) 10.573 7.879 ( 0.057 -6.883 -0.000) 6.883 8.125 ( -5.113 10.252 -0.000) 11.457 9.092 ( 17.814 -2.567 0.000) 17.998 9.393 ( -11.409 -5.698 -0.000) 12.752 10.102 ( 8.714 4.700 0.000) 9.901 10.203 ( -5.883 -1.839 -0.000) 6.164 10.597 ( -4.400 -4.248 -0.000) 6.116 10.624 ( 2.958 4.443 0.000) 5.338 11.256 ( -9.044 -10.443 -0.000) 13.815 11.320 ( 7.325 11.832 0.000) 13.916 13.242 ( -2.013 0.656 -0.000) 2.117 13.296 ( -6.724 1.212 -0.000) 6.832 14.915 ( -4.608 -6.108 -0.000) 7.651 14.928 ( 12.321 11.733 0.000) 17.014 16.159 ( 6.391 -1.315 0.000) 6.524 16.290 ( -10.387 -5.927 -0.000) 11.959 17.458 ( 5.591 -3.531 0.000) 6.613 17.665 ( -1.387 5.171 -0.000) 5.354 17.872 ( 5.061 -4.133 0.000) 6.535 18.112 ( -6.544 3.194 -0.000) 7.282 19.250 ( -0.788 -1.314 -0.000) 1.532 19.269 ( -1.524 0.549 -0.000) 1.619 19.523 ( 10.831 9.798 0.000) 14.605 19.544 ( -9.362 -7.822 -0.000) 12.200 20.308 ( 4.193 -0.665 0.000) 4.246 20.413 ( -4.055 0.516 -0.000) 4.087 ======================= Grid point 52 (43/126) ======================= q-point: ( 0.06 -0.06 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -4.806 -2.628 -0.000) 5.478 1.722 ( 6.502 3.284 0.000) 7.284 3.035 ( -23.707 -5.006 -0.000) 24.230 3.297 ( -14.530 -4.874 -0.000) 15.325 3.536 ( 16.617 -7.245 0.000) 18.128 3.890 ( 1.711 -11.284 -0.000) 11.413 4.194 ( 16.004 -0.527 0.000) 16.013 5.092 ( -16.397 -12.989 -0.000) 20.918 5.203 ( -1.465 6.123 -0.000) 6.296 5.333 ( 5.325 -13.264 0.000) 14.293 5.577 ( -6.943 3.599 -0.000) 7.821 5.799 ( 2.192 -4.464 0.000) 4.973 5.899 ( 0.273 4.836 0.000) 4.844 6.015 ( -5.572 10.022 -0.000) 11.467 6.457 ( 3.559 5.925 0.000) 6.912 6.785 ( 14.488 10.701 0.000) 18.011 7.623 ( -3.249 -13.256 -0.000) 13.648 8.205 ( -5.049 10.623 -0.000) 11.762 9.021 ( -13.213 -4.876 -0.000) 14.084 9.264 ( 9.908 -10.542 0.000) 14.468 10.161 ( -0.386 5.637 0.000) 5.650 10.360 ( 6.547 3.918 0.000) 7.630 10.511 ( 0.379 -1.387 0.000) 1.437 10.804 ( -11.344 -10.367 -0.000) 15.368 10.806 ( 4.659 4.760 0.000) 6.661 11.656 ( 4.938 7.940 0.000) 9.351 13.334 ( 3.725 5.808 0.000) 6.899 13.339 ( 6.927 3.169 0.000) 7.618 14.769 ( -6.329 4.644 -0.000) 7.850 15.464 ( 4.555 17.871 0.000) 18.442 15.900 ( -3.841 -13.603 -0.000) 14.135 16.265 ( 11.027 -6.637 0.000) 12.870 17.446 ( 1.007 -4.089 0.000) 4.211 17.673 ( -10.183 6.794 -0.000) 12.242 17.858 ( 6.738 -8.685 0.000) 10.992 18.009 ( -7.888 1.376 -0.000) 8.007 19.001 ( -9.020 -12.281 -0.000) 15.238 19.284 ( -0.338 2.314 0.000) 2.339 19.414 ( 0.270 4.825 0.000) 4.833 19.880 ( 8.621 4.411 0.000) 9.684 20.336 ( -5.295 1.559 -0.000) 5.520 20.393 ( 4.991 -0.266 0.000) 4.998 ======================= Grid point 53 (44/126) ======================= q-point: ( 0.06 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -6.498 -3.032 -0.000) 7.171 1.921 ( 7.980 -1.202 0.000) 8.070 2.325 ( -26.150 -11.943 -0.000) 28.748 2.607 ( -25.195 -10.899 -0.000) 27.451 3.867 ( -6.939 -13.168 -0.000) 14.884 3.890 ( 9.667 1.602 0.000) 9.799 4.164 ( -5.048 -7.962 -0.000) 9.428 4.524 ( 13.314 0.321 0.000) 13.317 5.112 ( -2.103 -6.706 -0.000) 7.028 5.346 ( -3.967 -1.162 -0.000) 4.133 5.633 ( -2.664 14.340 -0.000) 14.586 5.900 ( 9.346 -1.475 0.000) 9.462 6.076 ( 5.751 3.138 0.000) 6.551 6.085 ( -4.368 4.369 -0.000) 6.178 6.465 ( -4.609 -0.851 -0.000) 4.687 7.059 ( -2.157 -4.723 -0.000) 5.193 7.411 ( 8.496 -2.422 0.000) 8.834 8.410 ( -1.713 14.266 0.000) 14.368 8.648 ( -13.921 -3.599 -0.000) 14.378 9.113 ( 1.562 -12.945 -0.000) 13.039 10.182 ( -12.916 -12.657 -0.000) 18.084 10.339 ( 3.618 5.071 0.000) 6.230 10.565 ( 3.679 4.372 0.000) 5.714 10.685 ( 4.551 1.661 0.000) 4.845 11.044 ( 9.517 5.280 0.000) 10.884 11.859 ( 2.433 4.435 0.000) 5.059 13.634 ( 12.071 5.392 0.000) 13.220 13.667 ( 10.734 10.266 0.000) 14.853 14.849 ( -2.666 10.801 -0.000) 11.125 15.309 ( -14.302 -8.908 -0.000) 16.849 16.085 ( 13.156 7.794 0.000) 15.291 16.347 ( 11.766 -7.676 0.000) 14.048 17.341 ( -1.911 -4.738 -0.000) 5.109 17.549 ( -11.053 3.526 -0.000) 11.602 17.789 ( 2.887 -7.336 0.000) 7.883 17.831 ( -10.965 0.149 -0.000) 10.966 18.535 ( -11.390 -10.805 -0.000) 15.700 19.338 ( 0.389 2.693 0.000) 2.721 19.593 ( 4.924 5.523 0.000) 7.399 20.041 ( 6.099 -4.472 0.000) 7.563 20.279 ( -5.929 5.267 -0.000) 7.931 20.506 ( 5.003 1.095 0.000) 5.122 ======================= Grid point 54 (45/126) ======================= q-point: ( 0.06 -0.06 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -9.304 -4.028 -0.000) 10.139 1.508 ( -26.864 -11.763 -0.000) 29.326 1.521 ( -15.430 -30.652 -0.000) 34.317 2.258 ( -10.470 8.928 -0.000) 13.759 2.685 ( -40.139 -19.083 -0.000) 44.444 4.275 ( 14.550 7.827 0.000) 16.521 4.569 ( 19.595 2.660 0.000) 19.775 4.740 ( 6.973 -0.031 0.000) 6.974 5.030 ( 1.971 -0.948 0.000) 2.187 5.200 ( -7.200 0.700 -0.000) 7.233 5.857 ( -12.334 -3.728 -0.000) 12.885 5.877 ( 1.360 8.688 0.000) 8.794 6.111 ( 8.704 -1.388 0.000) 8.814 6.205 ( 4.437 -1.214 0.000) 4.600 6.431 ( -0.311 3.205 0.000) 3.220 6.808 ( -5.079 -5.709 -0.000) 7.641 7.643 ( 8.710 2.400 0.000) 9.034 8.302 ( -11.836 -3.452 -0.000) 12.329 8.625 ( -3.777 10.303 -0.000) 10.974 8.851 ( -1.600 -11.337 -0.000) 11.449 9.661 ( -14.221 -8.459 -0.000) 16.547 10.486 ( 4.213 1.734 0.000) 4.556 10.707 ( 3.839 1.835 0.000) 4.255 10.839 ( 4.895 2.221 0.000) 5.375 11.415 ( 12.626 6.259 0.000) 14.093 11.954 ( 1.109 1.414 0.000) 1.797 14.019 ( 11.734 6.049 0.000) 13.202 14.135 ( 10.676 11.287 0.000) 15.536 14.848 ( -8.136 -11.339 -0.000) 13.956 15.042 ( 2.160 6.874 0.000) 7.205 16.421 ( 4.964 4.996 0.000) 7.043 16.466 ( 10.537 -2.750 0.000) 10.890 17.180 ( -3.505 -5.055 -0.000) 6.151 17.407 ( -4.474 -0.238 -0.000) 4.480 17.568 ( -13.240 -0.386 -0.000) 13.245 17.699 ( -1.505 -1.927 -0.000) 2.445 18.103 ( -11.326 -7.470 -0.000) 13.567 19.409 ( 0.729 2.842 0.000) 2.934 19.801 ( 5.503 3.185 0.000) 6.359 19.977 ( 1.726 -7.439 0.000) 7.636 20.301 ( -3.190 4.681 -0.000) 5.665 20.635 ( 4.087 1.700 0.000) 4.426 ======================= Grid point 56 (46/126) ======================= q-point: ( 0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.702 7.371 4.928) 8.894 1.418 ( -10.043 10.138 9.101) 16.926 2.262 ( -3.960 8.828 8.542) 12.906 2.323 ( -1.710 15.945 17.488) 23.727 3.605 ( 4.010 22.694 -3.692) 23.340 4.040 ( 3.242 4.282 4.609) 7.078 4.324 ( 6.809 -12.845 -2.075) 14.685 4.575 ( 4.594 -6.789 -4.749) 9.474 5.010 ( -3.861 -2.803 6.013) 7.676 5.238 ( -5.687 2.081 2.555) 6.573 5.554 ( 2.449 -14.447 -17.271) 22.650 5.761 ( -3.871 3.914 -13.736) 14.798 6.115 ( -0.641 2.580 3.487) 4.384 6.210 ( -0.273 1.776 3.831) 4.231 6.596 ( 1.448 2.184 6.401) 6.917 6.920 ( 1.591 4.777 0.963) 5.127 7.510 ( 7.792 -6.708 -7.181) 12.541 8.256 ( -9.267 6.930 -8.344) 14.266 8.699 ( -11.661 -3.631 12.319) 17.347 9.088 ( 10.896 5.848 7.863) 14.654 9.880 ( 0.591 14.205 -2.300) 14.402 10.298 ( -1.310 -6.049 -2.634) 6.726 10.699 ( 2.172 -5.884 -1.634) 6.481 10.798 ( -1.275 -1.845 6.230) 6.621 11.244 ( 2.906 -8.713 -3.290) 9.757 11.817 ( -2.025 -2.063 -8.070) 8.572 13.664 ( 6.143 -12.389 -12.879) 18.897 14.465 ( 6.979 -4.694 9.192) 12.459 14.629 ( -14.787 2.371 8.342) 17.142 15.032 ( -4.982 -4.086 3.835) 7.498 16.176 ( 12.789 -8.535 -10.578) 18.663 16.501 ( -1.527 0.817 -3.644) 4.034 17.145 ( 0.012 3.362 -6.176) 7.032 17.222 ( -4.048 -0.311 -4.265) 5.889 17.775 ( -1.494 10.245 2.323) 10.611 18.053 ( 3.272 7.060 7.454) 10.775 18.342 ( -1.229 9.883 10.782) 14.677 19.475 ( 1.071 0.844 1.025) 1.705 19.738 ( -0.789 -8.362 3.611) 9.142 19.818 ( -2.119 -3.031 0.098) 3.700 20.357 ( -1.032 2.741 -4.305) 5.207 20.532 ( 2.176 -3.024 -4.171) 5.593 ======================= Grid point 57 (47/126) ======================= q-point: ( 0.27 -0.07 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.067 7.435 1.908) 7.750 1.544 ( 7.351 0.277 2.447) 7.752 2.318 ( -0.404 10.037 4.251) 10.907 2.673 ( -0.630 10.250 20.782) 23.180 3.767 ( 8.452 1.901 -8.536) 12.161 4.167 ( 12.329 -14.048 0.531) 18.698 4.507 ( 4.142 -2.653 -6.772) 8.370 4.715 ( -2.772 10.560 -0.536) 10.931 4.930 ( 4.225 8.111 9.465) 13.161 5.123 ( -0.743 -3.904 14.154) 14.702 5.226 ( -3.614 -12.063 -19.765) 23.436 5.684 ( -3.855 -1.307 0.380) 4.088 6.170 ( 0.012 0.107 5.470) 5.471 6.280 ( -0.968 5.537 -9.625) 11.146 6.593 ( -4.901 2.026 1.966) 5.656 7.061 ( 1.697 -0.913 2.465) 3.128 7.565 ( 9.762 -5.704 -11.259) 15.956 8.211 ( -8.662 8.095 -6.432) 13.488 8.449 ( -5.127 1.057 12.205) 13.280 9.434 ( 11.712 3.842 4.644) 13.171 10.062 ( -5.230 -4.754 0.162) 7.069 10.190 ( 4.433 3.402 2.110) 5.973 10.615 ( 0.236 -4.908 -6.885) 8.458 10.804 ( -0.706 6.806 6.118) 9.179 11.095 ( -2.252 -6.848 -1.993) 7.480 11.697 ( -3.991 -3.356 -6.942) 8.682 13.618 ( 7.255 -4.757 -14.556) 16.945 14.147 ( -19.631 -0.922 2.750) 19.844 14.572 ( -9.658 -0.967 8.473) 12.884 14.868 ( 6.552 -4.704 17.033) 18.847 16.200 ( 1.396 -4.538 -16.939) 17.592 16.563 ( 6.944 -2.052 -0.290) 7.247 17.094 ( 3.846 -4.369 1.827) 6.100 17.337 ( 3.654 3.318 -4.477) 6.664 17.831 ( -5.271 4.894 3.441) 7.974 18.259 ( -1.369 8.323 -0.254) 8.438 18.637 ( 8.489 10.790 8.646) 16.225 19.480 ( -4.260 2.273 1.012) 4.933 19.529 ( -3.884 -5.343 1.357) 6.744 19.765 ( 3.642 -4.404 -1.118) 5.823 20.340 ( -3.282 0.511 -3.146) 4.575 20.511 ( 0.958 -2.557 -1.930) 3.344 ======================= Grid point 58 (48/126) ======================= q-point: ( 0.27 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.910 3.365 -1.226) 3.695 1.627 ( 2.425 -1.116 0.938) 2.830 2.628 ( 7.766 0.806 12.002) 14.318 2.804 ( 11.251 4.812 12.993) 17.848 4.137 ( 6.354 3.670 -8.233) 11.028 4.174 ( 13.647 -7.233 -3.782) 15.901 4.364 ( -7.653 -7.252 -2.411) 10.815 4.593 ( 2.071 -3.386 3.348) 5.192 4.807 ( -3.575 -14.351 -8.949) 17.286 5.106 ( 6.035 -3.661 5.825) 9.152 5.419 ( 5.334 7.235 -0.564) 9.007 5.770 ( 4.202 12.916 4.865) 14.428 6.143 ( -0.489 -1.927 -2.055) 2.859 6.294 ( -4.290 2.147 -3.341) 5.846 6.483 ( -9.664 2.497 -0.499) 9.994 6.879 ( -5.114 -10.298 11.403) 16.194 7.629 ( 6.803 -6.167 -17.705) 19.944 8.297 ( -5.999 14.660 -0.953) 15.868 8.556 ( 5.473 5.068 5.422) 9.222 9.626 ( 5.268 -9.914 0.847) 11.258 9.871 ( -1.443 2.973 5.236) 6.192 10.347 ( 4.791 2.365 4.718) 7.128 10.500 ( -1.890 -3.593 -4.515) 6.072 10.861 ( -6.130 -6.112 -0.402) 8.666 11.054 ( 3.171 12.026 -1.311) 12.506 11.504 ( -6.113 -5.247 -5.854) 9.958 13.708 ( -5.489 1.884 -3.115) 6.587 13.777 ( -9.335 0.306 0.008) 9.340 14.290 ( -8.076 1.573 -0.451) 8.240 15.014 ( 6.138 1.306 13.982) 15.325 16.063 ( -2.237 -5.461 -11.556) 12.976 16.642 ( 6.067 -5.566 5.520) 9.912 17.164 ( 7.949 -2.303 1.629) 8.435 17.386 ( 4.287 -5.570 1.149) 7.122 17.884 ( -1.308 7.290 -3.120) 8.037 18.317 ( -4.774 3.620 -0.900) 6.059 19.065 ( 10.496 9.021 1.677) 13.942 19.375 ( -3.787 -0.249 -0.563) 3.837 19.414 ( -5.986 0.923 1.668) 6.282 19.751 ( 0.831 -2.264 0.167) 2.418 20.259 ( -2.788 -1.474 -0.910) 3.282 20.473 ( 0.252 -1.913 -1.996) 2.776 ======================= Grid point 59 (49/126) ======================= q-point: (-0.73 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.872 -0.315 -2.355) 2.530 1.625 ( -2.285 0.884 2.847) 3.756 2.739 ( 15.694 -7.030 14.368) 22.409 3.294 ( 17.467 5.206 4.059) 18.673 3.829 ( -5.268 -15.333 -0.828) 16.234 4.035 ( -9.290 -9.265 -0.226) 13.123 4.293 ( -10.363 -10.181 10.523) 17.938 4.437 ( 10.247 -4.151 -20.349) 23.159 5.016 ( 12.493 15.173 0.978) 19.679 5.103 ( 11.150 -10.487 7.026) 16.842 5.734 ( 6.086 3.576 -14.510) 16.136 5.798 ( -3.915 -4.581 -7.911) 9.945 6.182 ( -8.006 1.922 -3.274) 8.861 6.332 ( -7.554 3.671 1.523) 8.536 6.392 ( 3.022 7.657 10.866) 13.632 6.601 ( -1.359 -0.340 19.536) 19.586 7.562 ( 1.094 -8.642 -18.570) 20.512 8.439 ( -8.256 11.338 -7.436) 15.875 8.794 ( 10.414 0.619 8.581) 13.508 9.382 ( -3.854 -9.443 4.029) 10.966 10.025 ( 7.233 1.278 -2.359) 7.715 10.338 ( -4.858 -0.820 4.137) 6.433 10.561 ( 3.178 1.975 -0.596) 3.789 10.661 ( -1.644 -0.406 2.773) 3.250 11.204 ( -8.501 -5.380 -6.943) 12.224 11.388 ( 4.121 8.821 -2.940) 10.171 13.434 ( -11.777 -1.475 4.231) 12.601 13.700 ( -8.515 6.415 9.310) 14.154 14.477 ( 9.017 9.479 -15.614) 20.370 15.129 ( -4.368 8.573 -1.121) 9.687 15.962 ( 8.272 -10.049 4.740) 13.852 16.507 ( -4.749 -8.301 11.615) 15.046 17.259 ( 6.845 -4.018 -2.244) 8.248 17.403 ( 10.273 -6.970 -0.036) 12.414 18.013 ( -2.935 7.753 -3.544) 9.016 18.243 ( -5.662 0.986 -1.319) 5.896 19.213 ( -2.280 -6.794 -0.859) 7.218 19.343 ( -1.637 3.395 0.647) 3.824 19.446 ( 2.542 5.994 -3.702) 7.490 19.704 ( -3.713 2.426 4.854) 6.575 20.214 ( 2.059 -1.283 -0.527) 2.482 20.446 ( -0.509 -0.438 -1.840) 1.958 ======================= Grid point 60 (50/126) ======================= q-point: ( 0.27 -0.07 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -4.020 0.484 -0.014) 4.049 1.620 ( 3.503 -1.532 0.095) 3.825 2.978 ( 17.604 -6.678 0.052) 18.828 3.400 ( -4.744 -15.229 4.156) 16.484 3.560 ( -3.451 -6.859 9.792) 12.444 3.637 ( -16.331 -1.389 1.640) 16.472 3.949 ( 9.384 -0.782 8.400) 12.619 4.693 ( 18.145 -3.345 -13.596) 22.919 5.114 ( 4.358 -6.380 2.605) 8.154 5.394 ( -11.090 -7.868 -2.487) 13.824 5.579 ( 9.109 13.465 -0.118) 16.257 5.812 ( -13.714 -6.901 -0.285) 15.355 5.976 ( 1.364 1.213 -7.818) 8.028 6.338 ( -1.104 2.623 1.386) 3.165 6.478 ( -3.897 9.028 2.878) 10.246 6.894 ( 9.805 6.666 11.365) 16.424 7.334 ( -3.169 -9.768 -13.291) 16.796 8.482 ( -5.905 9.189 -11.382) 15.775 8.942 ( 5.937 -4.197 9.060) 11.617 9.110 ( -3.300 -8.952 7.829) 12.342 10.165 ( 4.498 -0.934 -3.464) 5.754 10.287 ( 1.579 1.285 -1.131) 2.329 10.560 ( -1.842 -0.847 5.984) 6.318 10.705 ( -3.592 1.572 -5.643) 6.871 10.970 ( -3.428 0.695 1.304) 3.733 11.637 ( 4.200 5.489 -5.828) 9.040 13.248 ( -3.940 0.907 -2.774) 4.904 13.782 ( -1.478 11.554 16.910) 20.534 14.830 ( 1.868 10.209 -11.812) 15.724 15.255 ( 2.000 6.864 -15.490) 17.060 15.846 ( 0.891 -15.390 8.739) 17.721 16.298 ( 2.646 -2.477 18.672) 19.021 17.285 ( 5.234 -5.806 -6.272) 10.022 17.440 ( 5.831 -7.028 -2.836) 9.562 18.050 ( -6.309 4.863 -2.536) 8.360 18.165 ( -5.667 3.102 2.025) 6.771 18.953 ( -5.710 -9.144 2.907) 11.165 19.391 ( -1.866 4.580 0.238) 4.951 19.519 ( -1.797 3.170 -1.009) 3.781 19.763 ( 4.080 0.388 -0.099) 4.100 20.281 ( 4.226 0.584 -0.853) 4.351 20.432 ( -1.556 1.079 -1.414) 2.363 ======================= Grid point 61 (51/126) ======================= q-point: ( 0.27 -0.07 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -6.414 0.059 1.818) 6.667 1.665 ( 5.358 -6.032 -0.732) 8.101 2.726 ( -16.359 -17.458 4.293) 24.306 2.867 ( -19.049 -7.499 14.904) 25.323 3.412 ( 9.842 3.853 -10.280) 14.744 3.843 ( 16.695 4.423 10.716) 20.325 4.266 ( 11.638 3.844 1.644) 12.366 4.678 ( -31.108 -2.715 3.568) 31.430 4.975 ( 10.717 -2.618 -0.956) 11.074 5.254 ( 7.139 -3.060 -0.609) 7.791 5.474 ( -3.818 -6.991 -9.194) 12.165 5.860 ( 1.657 -0.917 -7.449) 7.686 6.018 ( 1.246 5.329 3.105) 6.292 6.327 ( -4.560 0.634 -0.945) 4.700 6.568 ( -3.137 6.067 2.868) 7.408 7.069 ( -4.646 -5.218 -0.299) 6.993 7.211 ( 8.114 5.283 -4.437) 10.651 8.515 ( -3.728 -1.659 -13.278) 13.891 8.874 ( -1.642 -5.450 7.138) 9.129 8.963 ( 1.391 0.441 13.817) 13.894 10.204 ( -5.629 -4.203 -3.911) 8.041 10.230 ( -0.077 -3.306 1.629) 3.686 10.510 ( 3.875 3.947 -7.709) 9.488 10.764 ( 0.369 3.658 5.652) 6.743 11.029 ( 3.514 3.328 2.093) 5.273 11.780 ( 2.899 1.177 -7.207) 7.857 13.336 ( 6.146 5.018 -9.919) 12.702 14.092 ( 4.515 13.970 18.307) 23.467 14.927 ( -3.378 0.067 -5.306) 6.291 15.233 ( -0.761 -16.448 1.924) 16.578 15.740 ( 6.467 8.993 -9.686) 14.714 16.434 ( 5.975 1.976 11.891) 13.454 17.231 ( 1.444 -5.732 -7.463) 9.521 17.351 ( -0.007 -6.535 -6.204) 9.011 17.965 ( -8.734 2.196 -0.350) 9.013 18.116 ( -6.511 3.980 6.030) 9.725 18.629 ( -8.501 -6.913 7.010) 13.008 19.444 ( -2.127 4.304 0.672) 4.847 19.594 ( 4.366 1.412 1.745) 4.909 19.818 ( 4.459 -3.791 -1.535) 6.051 20.381 ( 2.243 0.859 -3.713) 4.422 20.432 ( -0.537 2.335 -1.201) 2.680 ======================= Grid point 65 (52/126) ======================= q-point: (-0.52 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -1.048 -3.378 -1.854) 3.994 1.540 ( 1.969 5.510 1.358) 6.007 2.705 ( 3.224 -13.435 -3.149) 14.171 2.976 ( -7.597 12.404 8.494) 16.844 3.685 ( 3.097 7.346 -7.226) 10.759 3.914 ( 0.946 -5.742 15.718) 16.761 4.254 ( 3.910 -8.227 5.559) 10.671 4.436 ( 2.301 -12.174 -2.660) 12.672 4.941 ( -3.331 -0.823 -6.569) 7.411 5.176 ( -2.034 -1.563 7.237) 7.679 5.417 ( -3.643 6.628 -3.483) 8.327 5.693 ( -0.160 4.178 -10.198) 11.022 6.156 ( 3.172 -2.026 -2.658) 4.608 6.410 ( -1.066 3.651 14.402) 14.896 6.689 ( -3.104 -2.286 -5.665) 6.852 6.826 ( 4.892 -1.733 -8.425) 9.896 7.251 ( -0.470 -3.952 6.409) 7.544 8.261 ( -0.090 5.148 -12.064) 13.117 8.957 ( -6.786 5.328 7.900) 11.699 9.268 ( 7.122 -0.769 2.905) 7.730 10.045 ( -0.657 -11.777 -1.705) 11.918 10.257 ( -0.569 -0.624 1.558) 1.772 10.439 ( -0.898 11.715 -3.985) 12.406 10.960 ( 2.683 0.210 2.561) 3.716 11.053 ( -0.080 -0.233 1.814) 1.830 11.568 ( -1.506 -2.070 -3.803) 4.585 13.232 ( 2.316 4.020 -4.240) 6.285 14.439 ( -0.717 -0.230 2.455) 2.568 15.003 ( -4.363 -0.088 1.425) 4.591 15.198 ( -1.951 6.374 22.450) 23.419 15.552 ( 4.905 -5.944 -15.827) 17.603 16.426 ( -1.022 -2.251 -1.751) 3.029 16.982 ( 1.269 -7.407 5.284) 9.187 17.254 ( 1.007 3.797 -5.838) 7.036 17.981 ( -3.115 -3.616 0.483) 4.797 18.352 ( 1.903 4.531 -4.119) 6.412 18.836 ( 0.628 1.747 0.993) 2.106 19.520 ( -2.209 -1.380 0.730) 2.705 19.622 ( 3.664 4.328 0.037) 5.671 19.698 ( -2.071 1.434 1.936) 3.177 20.283 ( 0.378 -1.422 -1.633) 2.198 20.426 ( -0.369 -1.794 -0.310) 1.857 ======================= Grid point 66 (53/126) ======================= q-point: (-0.52 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 1.075 -0.219 -3.465) 3.635 1.726 ( 3.117 6.087 2.527) 7.291 2.543 ( 10.925 -17.067 1.764) 20.341 3.082 ( 0.090 0.253 10.254) 10.258 3.585 ( 1.392 -9.493 -14.114) 17.066 3.900 ( 1.236 -3.522 10.876) 11.499 4.173 ( 6.265 -8.553 8.246) 13.431 4.470 ( 4.338 3.709 -6.563) 8.697 4.865 ( -0.856 2.842 -3.855) 4.865 5.020 ( 1.580 -8.948 14.941) 17.487 5.471 ( -3.471 2.886 -3.741) 5.863 5.707 ( -1.730 -3.475 -11.522) 12.159 6.151 ( 0.213 2.874 -3.577) 4.593 6.517 ( -0.867 3.379 0.387) 3.510 6.651 ( -2.356 2.163 2.314) 3.947 6.837 ( 5.070 -2.699 -1.947) 6.065 7.115 ( 0.052 -6.909 6.970) 9.814 8.410 ( -1.000 6.756 -15.786) 17.200 8.965 ( -6.392 8.862 8.273) 13.706 9.397 ( 7.330 -4.517 2.894) 9.083 9.811 ( 2.408 -9.576 -6.486) 11.814 10.256 ( 1.521 -0.176 0.784) 1.721 10.635 ( -2.546 9.924 1.540) 10.360 10.903 ( -2.493 -2.635 5.242) 6.375 11.139 ( 0.115 5.022 -5.074) 7.140 11.460 ( -3.236 -2.685 2.115) 4.706 13.476 ( 4.784 11.533 -7.560) 14.596 14.236 ( -16.367 -0.827 5.809) 17.387 14.883 ( -10.463 6.429 12.151) 17.275 15.351 ( -1.526 9.292 13.381) 16.362 15.526 ( 7.313 -9.393 -15.511) 19.553 16.405 ( 7.900 -6.228 2.864) 10.459 16.978 ( 9.509 -4.388 4.470) 11.387 17.267 ( 0.050 -7.115 1.721) 7.321 17.880 ( -1.157 2.045 -7.497) 7.856 18.372 ( -3.134 -1.108 -5.876) 6.751 18.893 ( 5.571 -3.098 -8.699) 10.785 19.470 ( -3.564 2.889 -1.314) 4.773 19.703 ( -4.075 4.849 8.095) 10.278 19.823 ( 1.273 8.238 1.423) 8.456 20.237 ( -1.283 -3.342 -0.317) 3.593 20.354 ( 0.978 -3.433 -0.528) 3.608 ======================= Grid point 67 (54/126) ======================= q-point: (-0.52 -0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.422 1.818 -4.375) 4.757 1.800 ( -5.274 -0.797 5.847) 7.914 2.383 ( 12.574 -19.758 -0.894) 23.437 3.038 ( 18.691 -13.730 -0.934) 23.211 3.666 ( 2.023 6.534 -3.130) 7.522 3.815 ( 3.713 -5.760 14.216) 15.781 4.128 ( -1.936 0.703 4.299) 4.767 4.601 ( -8.421 -7.324 5.877) 12.613 4.649 ( 9.857 -7.672 -7.406) 14.521 5.270 ( 11.034 10.142 6.792) 16.454 5.462 ( -1.096 1.746 -2.842) 3.511 5.568 ( -0.078 -4.666 -6.957) 8.377 6.164 ( -2.852 -2.893 -9.697) 10.513 6.523 ( -0.845 -0.430 -7.476) 7.535 6.596 ( -4.547 5.068 -1.931) 7.077 6.935 ( -0.431 -4.965 13.240) 14.147 7.065 ( 7.625 1.580 9.500) 12.284 8.406 ( -6.563 1.371 -20.672) 21.732 9.033 ( -3.859 7.145 1.017) 8.184 9.417 ( 4.575 -4.319 9.590) 11.469 9.716 ( 4.192 -7.210 -7.337) 11.108 10.302 ( 2.608 -0.920 -1.864) 3.335 10.752 ( -2.107 6.451 5.309) 8.616 10.847 ( -2.847 2.985 9.301) 10.174 11.117 ( -7.281 -0.458 -10.285) 12.610 11.424 ( 1.722 1.780 3.304) 4.130 13.795 ( -13.113 -0.477 1.578) 13.216 13.883 ( -0.394 12.390 -2.892) 12.730 14.891 ( -9.454 14.556 16.054) 23.643 15.306 ( -10.502 1.683 -13.247) 16.988 15.618 ( 13.560 -6.283 6.839) 16.435 16.487 ( 9.763 -5.163 8.010) 13.644 16.966 ( -0.124 -14.746 4.077) 15.300 17.154 ( 10.133 -2.929 2.781) 10.908 17.965 ( -0.614 3.520 -11.714) 12.247 18.281 ( -1.316 0.219 -6.159) 6.302 18.908 ( 5.529 -6.654 -10.049) 13.260 19.491 ( -3.151 5.407 -3.436) 7.140 19.694 ( -7.720 5.837 8.957) 13.187 19.930 ( -4.667 2.062 1.626) 5.355 20.154 ( 1.698 -0.688 0.419) 1.879 20.356 ( 3.436 -1.819 0.428) 3.911 ======================= Grid point 68 (55/126) ======================= q-point: (-0.52 -0.08 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.804 -1.176 -3.482) 3.762 1.600 ( -2.195 -3.065 1.746) 4.155 2.381 ( 13.610 -5.852 -7.335) 16.531 3.272 ( 14.362 -6.333 10.736) 19.017 3.664 ( -5.433 -2.026 -12.362) 13.654 3.891 ( 6.937 0.394 4.956) 8.534 4.107 ( -1.423 -2.618 14.528) 14.830 4.262 ( -2.481 -0.119 16.215) 16.404 4.818 ( 12.929 -2.856 -8.001) 15.470 5.313 ( -1.699 -7.870 2.074) 8.315 5.582 ( 1.574 -1.623 -11.980) 12.192 5.709 ( 1.307 9.694 -4.553) 10.789 5.986 ( -1.783 -0.745 -5.122) 5.474 6.497 ( -3.376 1.522 3.010) 4.772 6.674 ( 1.236 3.388 -8.299) 9.048 6.786 ( 0.064 -5.745 7.329) 9.313 7.212 ( 4.015 -1.278 13.247) 13.901 8.314 ( -5.135 3.080 -21.130) 21.962 9.083 ( -5.042 6.243 -6.929) 10.602 9.305 ( -2.601 -7.512 18.329) 19.979 9.790 ( 12.953 -2.683 -7.247) 15.083 10.293 ( -0.565 -1.552 0.245) 1.670 10.726 ( -9.780 -1.944 1.361) 10.064 10.871 ( -0.689 5.243 6.137) 8.101 11.026 ( -1.604 3.011 -1.089) 3.581 11.517 ( 2.778 1.305 -2.698) 4.087 13.416 ( -13.226 -1.880 2.240) 13.546 14.251 ( 1.382 14.401 -0.338) 14.471 15.063 ( -0.697 6.737 -4.378) 8.065 15.143 ( -7.244 5.720 8.657) 12.655 15.639 ( 3.672 -11.077 3.097) 12.074 16.471 ( 0.635 -6.034 6.090) 8.596 16.827 ( 10.890 -6.759 2.913) 13.144 17.269 ( 3.442 -1.154 -1.072) 3.786 17.966 ( 1.349 -1.572 -6.873) 7.178 18.340 ( -1.065 4.625 -6.093) 7.723 18.869 ( 2.940 -4.949 -5.810) 8.179 19.532 ( -1.873 2.723 -2.061) 3.895 19.640 ( -6.941 4.495 4.932) 9.628 19.806 ( -5.239 -0.881 1.326) 5.475 20.228 ( 2.515 1.037 0.369) 2.746 20.394 ( 2.885 -1.151 0.636) 3.171 ======================= Grid point 71 (56/126) ======================= q-point: ( 0.48 -0.08 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -2.126 0.145 4.447) 4.931 1.788 ( 6.307 3.559 -4.087) 8.316 2.454 ( -9.860 20.757 10.467) 25.251 3.092 ( -12.243 5.772 29.837) 32.764 3.629 ( -2.913 0.754 -8.586) 9.098 4.183 ( -0.956 -1.252 -13.882) 13.971 4.259 ( -2.897 -1.315 -8.103) 8.705 4.624 ( -13.793 6.064 7.208) 16.702 4.919 ( 7.468 3.338 -16.013) 17.982 5.304 ( 2.803 3.867 8.498) 9.748 5.438 ( -1.911 -2.555 0.363) 3.211 5.715 ( -0.383 3.754 -4.624) 5.968 5.923 ( -1.035 -0.325 0.567) 1.224 6.326 ( -0.158 -1.209 9.074) 9.156 6.461 ( 2.481 -8.608 1.938) 9.166 7.111 ( -0.314 5.593 -4.500) 7.185 7.440 ( -4.669 -5.031 -10.240) 12.327 8.040 ( 5.326 3.472 2.037) 6.676 8.734 ( 2.954 -0.152 14.237) 14.541 9.673 ( -5.941 9.826 6.731) 13.310 9.846 ( -6.252 -0.462 -12.003) 13.542 10.283 ( -0.238 1.483 1.720) 2.283 10.682 ( 7.375 -2.823 1.096) 7.973 10.809 ( 0.526 -3.169 5.774) 6.608 10.987 ( 2.887 -6.432 -5.913) 9.202 11.547 ( 2.781 -1.736 -7.858) 8.515 13.651 ( 9.103 3.376 -7.292) 12.142 13.839 ( -0.529 -13.632 2.226) 13.823 14.657 ( 8.546 -10.281 13.937) 19.313 15.202 ( 10.024 -10.013 -14.347) 20.164 15.863 ( -10.695 8.093 2.831) 13.707 16.780 ( -0.727 6.986 -4.025) 8.095 17.175 ( -5.280 10.761 -10.833) 16.157 17.315 ( -1.143 5.684 -0.095) 5.799 17.760 ( -4.536 -4.439 9.847) 11.715 18.149 ( -1.883 -1.594 4.967) 5.546 18.826 ( -7.790 7.979 10.116) 15.056 19.393 ( 0.584 -4.449 1.812) 4.840 19.600 ( 9.374 -6.094 -1.080) 11.233 19.895 ( 5.104 2.589 -3.956) 6.958 20.199 ( -3.051 -1.367 0.151) 3.347 20.460 ( -0.412 -1.100 -3.944) 4.115 ======================= Grid point 72 (57/126) ======================= q-point: ( 0.48 -0.08 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.863 1.721 4.503) 4.897 1.825 ( 0.862 -6.367 -3.621) 7.375 2.791 ( -12.649 22.758 5.408) 26.593 3.045 ( -7.764 16.448 25.578) 31.386 3.448 ( -4.049 -11.336 -8.484) 14.726 4.139 ( 1.578 -4.987 -4.509) 6.905 4.236 ( -0.882 7.012 -0.710) 7.103 4.506 ( -11.497 9.819 3.748) 15.577 5.034 ( 3.975 -10.275 -15.165) 18.744 5.317 ( -4.287 0.842 0.041) 4.369 5.439 ( 0.494 5.323 -0.066) 5.346 5.623 ( -6.804 3.837 -7.025) 10.506 6.045 ( 4.772 -2.817 1.405) 5.717 6.332 ( 2.132 2.487 12.426) 12.851 6.433 ( 7.041 -2.683 2.751) 8.021 7.157 ( -9.053 -4.338 -6.352) 11.879 7.207 ( 0.923 1.870 -2.652) 3.374 8.234 ( 5.157 0.693 -3.242) 6.131 8.837 ( 3.753 1.980 6.486) 7.751 9.544 ( -11.781 0.346 11.026) 16.139 9.881 ( -1.968 8.511 -10.379) 13.565 10.286 ( -1.340 0.972 0.070) 1.657 10.587 ( 0.142 -8.507 1.604) 8.658 10.856 ( 5.615 -3.740 7.464) 10.061 10.979 ( 4.850 -1.678 -4.016) 6.517 11.582 ( 2.966 -1.161 -10.128) 10.617 13.437 ( -2.597 -11.791 3.771) 12.649 14.045 ( 13.522 1.605 -5.027) 14.515 14.734 ( 13.103 -4.437 9.320) 16.680 15.188 ( 11.288 -12.109 -19.131) 25.299 15.765 ( -15.249 9.214 8.177) 19.604 16.733 ( -8.185 0.624 -3.979) 9.122 17.271 ( -8.949 3.219 -5.281) 10.878 17.342 ( -3.532 4.344 -3.708) 6.715 17.692 ( 2.702 3.485 6.629) 7.962 18.161 ( 2.146 2.207 7.376) 7.993 18.816 ( -7.921 6.721 10.329) 14.649 19.371 ( 3.094 -1.326 1.181) 3.568 19.652 ( 8.096 -6.938 -0.486) 10.673 19.916 ( -1.151 -5.284 -4.519) 7.047 20.225 ( 2.019 4.863 -1.144) 5.388 20.404 ( -1.290 -1.664 -2.724) 3.443 ======================= Grid point 74 (58/126) ======================= q-point: (-0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 1.060 -5.363 -10.933) 12.224 1.490 ( 8.484 -4.563 -11.448) 14.962 2.201 ( 0.982 -0.081 5.043) 5.138 2.440 ( -3.946 -30.436 -16.355) 34.776 3.381 ( -0.181 -10.506 -37.083) 38.543 4.114 ( -2.518 5.492 3.712) 7.091 4.287 ( 2.487 0.361 18.335) 18.507 4.433 ( -9.142 5.759 17.919) 20.925 4.884 ( 12.093 -1.233 13.350) 18.055 5.260 ( -4.282 -5.221 4.751) 8.256 5.358 ( -0.059 -5.034 0.176) 5.037 5.671 ( -5.742 7.953 -1.340) 9.900 5.987 ( 6.302 -6.166 3.161) 9.366 6.366 ( -0.253 0.719 -7.182) 7.222 6.666 ( -1.345 -2.412 -3.704) 4.620 7.019 ( 2.164 9.217 -0.199) 9.470 7.392 ( -6.621 2.510 13.263) 15.035 8.047 ( 5.835 -7.064 -8.247) 12.327 9.066 ( 5.731 3.053 -14.503) 15.890 9.205 ( -5.319 -3.677 -13.123) 14.629 9.503 ( -0.998 -11.290 6.821) 13.229 10.320 ( 0.007 2.108 4.112) 4.621 10.876 ( -2.320 7.925 -3.920) 9.141 10.965 ( 1.942 2.356 -5.045) 5.897 11.251 ( -0.619 5.167 10.137) 11.395 11.611 ( 0.800 -0.248 12.699) 12.726 13.780 ( -2.850 17.411 5.390) 18.448 14.516 ( 4.022 0.324 1.723) 4.387 14.798 ( 3.621 -5.304 -8.027) 10.280 15.321 ( -6.298 6.489 -9.463) 13.089 15.995 ( 3.616 6.894 21.413) 22.784 16.322 ( -7.199 -1.299 4.820) 8.761 16.814 ( 6.163 -8.171 9.876) 14.223 17.148 ( -0.702 -9.601 3.662) 10.299 17.743 ( -0.783 1.190 -10.333) 10.431 18.164 ( -0.372 -4.056 -11.200) 11.918 18.425 ( 0.395 -9.042 -14.420) 17.025 19.537 ( -1.005 2.647 -3.530) 4.525 19.882 ( 1.722 3.115 -0.210) 3.565 20.021 ( 0.242 9.132 -3.238) 9.692 20.181 ( 1.178 -4.321 3.813) 5.882 20.421 ( -1.941 0.224 9.427) 9.628 ======================= Grid point 75 (59/126) ======================= q-point: (-0.31 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 6.022 -3.961 -11.810) 13.836 1.445 ( 8.172 -24.369 -13.579) 29.069 1.922 ( 12.387 -3.224 -6.961) 14.570 2.255 ( 3.940 -4.024 3.520) 6.642 3.282 ( 3.409 -3.370 -54.877) 55.086 4.181 ( -2.282 4.173 17.060) 17.711 4.268 ( -0.943 -2.885 22.915) 23.115 4.545 ( -0.678 15.051 12.596) 19.638 4.904 ( -9.133 -12.688 14.675) 21.441 5.169 ( 10.590 0.555 1.259) 10.679 5.296 ( 5.596 -6.747 1.281) 8.859 5.725 ( -1.270 7.933 3.753) 8.867 5.937 ( -0.110 -6.820 1.240) 6.932 6.371 ( -0.868 0.851 -6.480) 6.593 6.624 ( 0.859 0.233 -3.586) 3.695 7.167 ( -8.563 4.929 -2.292) 10.143 7.419 ( 2.379 5.717 16.254) 17.393 7.939 ( 4.370 -9.850 -13.236) 17.068 9.040 ( -4.788 2.614 -16.317) 17.205 9.214 ( 5.039 -3.773 -12.461) 13.960 9.387 ( 7.751 -6.358 2.982) 10.459 10.345 ( -1.323 1.311 6.850) 7.099 10.943 ( -3.137 4.642 -5.954) 8.176 11.020 ( -1.732 0.485 -7.858) 8.061 11.292 ( -4.396 4.839 15.281) 16.621 11.610 ( -0.123 -0.448 14.547) 14.554 14.086 ( -5.458 12.221 1.356) 13.453 14.304 ( -11.639 4.055 4.297) 13.052 14.855 ( 6.500 -9.391 -8.094) 13.998 15.388 ( 2.213 4.142 -4.622) 6.590 15.960 ( -15.214 9.436 13.688) 22.536 16.445 ( 10.656 2.695 11.229) 15.714 16.788 ( -2.436 -18.335 9.237) 20.675 16.925 ( 14.019 -3.538 6.124) 15.702 17.801 ( -3.825 3.857 -14.204) 15.207 18.074 ( 1.330 -0.545 -11.510) 11.599 18.336 ( 7.527 -8.032 -14.760) 18.413 19.561 ( -2.796 3.566 -5.081) 6.808 19.969 ( -2.118 -3.389 -1.294) 4.200 20.025 ( 5.468 0.224 -1.644) 5.714 20.173 ( -7.948 5.256 2.249) 9.791 20.431 ( 0.777 0.842 11.561) 11.617 ======================= Grid point 78 (60/126) ======================= q-point: (-0.31 -0.09 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 2.911 0.325 -2.582) 3.905 1.696 ( -5.406 0.750 1.944) 5.794 3.147 ( 1.353 13.665 6.832) 15.337 3.202 ( 0.594 10.497 -0.155) 10.515 3.432 ( 18.140 4.031 -18.167) 25.988 3.988 ( -8.029 -2.213 -7.712) 11.351 4.247 ( -4.328 -3.416 -2.052) 5.883 4.716 ( -8.382 1.473 13.643) 16.080 4.882 ( 10.695 6.579 2.182) 12.745 5.354 ( 2.334 4.456 0.638) 5.071 5.550 ( 4.468 3.569 -0.543) 5.744 5.699 ( 2.524 2.832 4.828) 6.140 5.910 ( -7.627 -5.677 0.743) 9.537 6.393 ( 0.052 -2.627 -3.582) 4.442 6.448 ( 5.678 -8.480 -6.948) 12.345 7.042 ( -4.768 5.681 7.151) 10.303 7.277 ( 2.447 2.670 -5.311) 6.428 8.196 ( -2.819 -6.389 8.711) 11.165 8.895 ( 2.831 1.383 2.131) 3.804 9.503 ( -3.491 8.884 -13.199) 16.289 10.059 ( 7.621 -1.512 5.554) 9.551 10.312 ( -1.780 -1.258 2.779) 3.532 10.444 ( -1.261 6.876 0.093) 6.992 10.777 ( -3.425 -5.865 -7.578) 10.176 10.978 ( 0.728 -3.941 0.401) 4.028 11.549 ( -1.964 -3.949 8.365) 9.457 13.272 ( -3.714 3.958 -5.243) 7.547 14.043 ( -1.499 -12.355 -0.354) 12.450 14.714 ( 2.507 -12.952 -3.239) 13.584 14.959 ( -9.376 -13.576 16.306) 23.197 15.940 ( 6.890 17.225 -6.520) 19.665 16.704 ( -3.176 6.452 -3.904) 8.183 17.303 ( -2.160 7.914 -1.909) 8.423 17.349 ( 0.080 7.496 6.912) 10.196 17.839 ( 8.411 -5.466 1.564) 10.152 18.187 ( 0.176 -3.371 -4.989) 6.024 18.938 ( 4.917 7.792 -6.705) 11.396 19.372 ( 1.200 -3.654 -0.567) 3.888 19.529 ( -4.584 -6.235 1.319) 7.850 19.808 ( -4.264 1.260 3.177) 5.465 20.291 ( 0.528 -1.213 2.902) 3.189 20.387 ( 0.710 -0.480 -0.745) 1.136 ======================= Grid point 79 (61/126) ======================= q-point: ( 0.69 -0.09 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.154 0.920 0.721) 1.179 1.635 ( 0.905 -1.777 -1.324) 2.394 3.245 ( -10.262 16.420 -0.251) 19.365 3.656 ( -5.117 5.242 -0.172) 7.328 3.693 ( 4.649 5.860 4.330) 8.643 3.878 ( 5.102 -1.668 -13.767) 14.776 4.132 ( 1.277 0.539 -1.824) 2.291 4.489 ( -3.882 -2.038 3.476) 5.595 5.214 ( -4.748 7.757 7.757) 11.953 5.396 ( -4.739 -1.441 -2.879) 5.729 5.560 ( -3.561 4.479 -2.215) 6.136 5.725 ( -2.268 -0.083 3.666) 4.312 5.881 ( 11.234 -0.137 2.297) 11.467 6.208 ( 1.938 -12.198 2.178) 12.542 6.563 ( 2.793 4.715 -3.609) 6.562 6.971 ( -2.450 -4.822 -7.979) 9.640 7.384 ( -2.890 7.935 -0.445) 8.457 8.046 ( 4.394 -7.653 11.226) 14.279 9.026 ( -3.159 6.510 5.008) 8.800 9.510 ( -0.532 -0.136 -12.369) 12.381 10.155 ( -5.603 4.499 2.678) 7.668 10.238 ( 3.972 -0.478 -0.655) 4.054 10.537 ( 2.187 -4.450 1.937) 5.323 10.711 ( 1.675 -1.131 -3.469) 4.015 10.964 ( 1.622 3.462 2.792) 4.734 11.390 ( -1.847 -6.489 3.204) 7.469 13.410 ( 5.072 6.757 -10.397) 13.397 13.795 ( -1.813 -7.830 -0.864) 8.083 14.444 ( -5.247 -13.209 -0.707) 14.230 14.652 ( 9.904 -10.722 16.962) 22.378 16.331 ( -3.916 13.064 -4.127) 14.249 16.725 ( -0.722 2.734 -12.414) 12.732 17.365 ( -5.692 7.504 -1.390) 9.521 17.522 ( -2.889 8.540 3.223) 9.575 17.852 ( 3.376 -5.771 5.162) 8.447 18.113 ( 2.916 -4.759 0.210) 5.585 19.166 ( 1.709 6.207 -0.810) 6.489 19.314 ( 0.204 -3.445 -0.029) 3.452 19.398 ( -0.069 -1.575 2.977) 3.369 19.745 ( 0.743 -3.313 -1.985) 3.933 20.256 ( -2.411 0.552 1.197) 2.748 20.392 ( 1.546 -1.293 -0.057) 2.016 ======================= Grid point 80 (62/126) ======================= q-point: ( 0.69 -0.09 -0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.552 0.297 1.643) 1.758 1.642 ( 2.360 -1.280 -1.219) 2.949 3.187 ( -15.080 -0.696 -14.650) 21.036 3.368 ( -14.464 1.240 -9.720) 17.470 3.931 ( -1.510 6.486 17.878) 19.078 4.039 ( 5.619 0.453 4.333) 7.110 4.196 ( 4.345 1.436 3.596) 5.820 4.525 ( 8.119 -2.482 -0.599) 8.511 4.979 ( -16.474 5.962 -7.455) 19.040 5.389 ( -5.076 1.764 -0.427) 5.391 5.582 ( -4.659 6.636 -3.751) 8.934 5.724 ( 0.167 -1.787 3.190) 3.660 5.961 ( 2.300 -6.582 8.499) 10.993 6.197 ( 13.932 -2.396 1.494) 14.215 6.512 ( -6.715 -4.154 -8.356) 11.497 6.967 ( 4.359 3.153 -6.444) 8.395 7.483 ( -5.093 8.286 7.510) 12.288 8.001 ( 7.492 -9.540 5.777) 13.436 8.914 ( -10.570 -0.792 -5.880) 12.121 9.629 ( 5.318 4.569 -1.223) 7.117 10.073 ( -7.026 1.267 -4.064) 8.215 10.312 ( 2.496 0.413 5.766) 6.297 10.489 ( -1.571 -3.146 -0.444) 3.545 10.740 ( 6.248 0.560 -2.523) 6.761 11.022 ( -2.542 -2.857 7.711) 8.607 11.331 ( 4.629 1.175 -2.092) 5.214 13.622 ( -5.452 -2.450 8.540) 10.424 13.672 ( 8.458 2.283 -10.141) 13.402 14.233 ( 7.527 -4.493 -10.647) 13.792 14.774 ( 14.406 -3.429 16.530) 22.193 16.275 ( -14.207 3.674 -7.417) 16.442 16.812 ( -0.698 3.004 -3.659) 4.785 17.367 ( -6.358 3.694 -4.052) 8.395 17.529 ( -8.522 3.710 0.935) 9.342 17.778 ( 1.936 -3.671 4.225) 5.923 18.154 ( 6.919 -2.745 2.414) 7.825 19.207 ( -4.951 0.044 4.686) 6.817 19.321 ( 2.751 0.269 -0.131) 2.767 19.351 ( 1.235 -2.656 -2.995) 4.189 19.744 ( 3.192 -0.713 -1.857) 3.761 20.239 ( -0.769 0.943 -0.747) 1.427 20.409 ( 1.455 0.181 2.147) 2.600 ======================= Grid point 81 (63/126) ======================= q-point: (-0.31 -0.09 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.194 -3.220 -1.627) 3.613 1.674 ( -2.870 4.077 2.181) 5.442 2.670 ( -16.602 -10.905 -11.510) 22.957 3.222 ( -5.241 0.323 -21.920) 22.541 3.749 ( -5.463 -8.543 7.325) 12.509 4.145 ( -0.277 2.915 10.766) 11.157 4.319 ( 3.487 -1.614 9.671) 10.406 4.713 ( 1.051 9.414 18.986) 21.218 4.845 ( -4.326 -1.330 -11.168) 12.051 5.289 ( -6.595 -1.717 -9.741) 11.888 5.495 ( -3.091 -3.515 -4.445) 6.455 5.648 ( -3.418 2.849 -3.111) 5.429 5.985 ( 3.552 -1.706 11.656) 12.304 6.350 ( 0.074 -2.470 -10.699) 10.980 6.437 ( 10.258 -0.335 -0.894) 10.302 7.083 ( -2.385 2.995 4.724) 6.080 7.487 ( -3.215 1.815 10.190) 10.839 7.992 ( 4.003 -2.850 -1.623) 5.175 8.717 ( -2.928 -1.080 -12.795) 13.170 9.704 ( -8.615 1.648 5.547) 10.378 9.984 ( 3.546 -4.900 -4.983) 7.837 10.302 ( -2.638 -2.374 2.778) 4.507 10.494 ( -1.024 8.783 0.513) 8.857 10.866 ( 2.819 -3.457 2.694) 5.211 10.945 ( 5.689 0.338 -1.982) 6.034 11.485 ( 3.454 3.081 3.955) 6.088 13.492 ( -7.599 4.850 11.903) 14.932 13.885 ( 14.583 -2.523 -7.390) 16.542 14.515 ( 13.998 4.646 -14.813) 20.904 15.055 ( 10.650 3.716 12.405) 16.767 16.002 ( -11.599 -2.432 -2.470) 12.106 16.758 ( -8.941 2.081 2.161) 9.431 17.264 ( -5.919 -0.248 -0.936) 5.997 17.331 ( -8.969 -3.244 5.946) 11.239 17.831 ( 5.281 -1.127 -6.403) 8.376 18.204 ( 3.457 -3.522 0.090) 4.935 18.975 ( -8.339 -6.038 -4.991) 11.442 19.407 ( 5.622 -1.868 -1.682) 6.159 19.439 ( 4.595 5.586 0.548) 7.253 19.797 ( -2.006 3.864 2.069) 4.821 20.247 ( 1.652 -1.381 -0.002) 2.154 20.453 ( 0.920 1.038 2.828) 3.150 ======================= Grid point 83 (64/126) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 0.000 -24.287) 24.287 0.535 ( 0.000 0.000 -24.287) 24.287 1.235 ( 0.000 0.000 -48.614) 48.614 2.400 ( -0.000 -0.000 5.377) 5.377 2.429 ( 0.000 0.000 -17.896) 17.896 4.688 ( -0.000 -0.000 14.878) 14.878 4.688 ( -0.000 -0.000 14.878) 14.878 4.986 ( 0.000 0.000 -1.016) 1.016 4.986 ( 0.000 0.000 -1.016) 1.016 5.070 ( -0.000 -0.000 4.650) 4.650 5.204 ( -0.000 -0.000 11.238) 11.238 5.936 ( -0.000 -0.000 6.999) 6.999 5.936 ( -0.000 -0.000 6.999) 6.999 6.283 ( 0.000 0.000 -3.431) 3.431 6.572 ( 0.000 0.000 -0.560) 0.560 6.931 ( 0.000 0.000 -26.753) 26.753 7.759 ( -0.000 -0.000 10.244) 10.244 7.759 ( -0.000 -0.000 10.244) 10.244 8.782 ( 0.000 0.000 -13.469) 13.469 8.782 ( 0.000 0.000 -13.469) 13.469 9.218 ( 0.000 0.000 -1.541) 1.541 10.551 ( -0.000 -0.000 6.321) 6.321 10.880 ( 0.000 0.000 -5.062) 5.062 10.880 ( 0.000 0.000 -5.062) 5.062 11.730 ( -0.000 -0.000 12.030) 12.030 11.894 ( -0.000 -0.000 9.546) 9.546 14.370 ( 0.000 0.000 -1.821) 1.821 14.532 ( -0.000 -0.000 0.522) 0.522 14.532 ( -0.000 -0.000 0.522) 0.522 15.315 ( 0.000 0.000 -4.232) 4.232 16.476 ( -0.000 -0.000 1.384) 1.384 16.613 ( -0.000 -0.000 9.525) 9.525 16.808 ( -0.000 -0.000 11.784) 11.784 16.808 ( -0.000 -0.000 11.784) 11.784 17.660 ( 0.000 0.000 -13.418) 13.418 17.784 ( 0.000 0.000 -11.814) 11.814 17.784 ( 0.000 0.000 -11.814) 11.814 19.523 ( 0.000 0.000 -4.406) 4.406 19.905 ( 0.000 0.000 -1.215) 1.215 19.905 ( 0.000 0.000 -1.215) 1.215 20.381 ( -0.000 -0.000 1.702) 1.702 20.668 ( -0.000 -0.000 7.481) 7.481 ======================= Grid point 85 (65/126) ======================= q-point: (-0.10 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.800 3.200 -7.893) 8.965 1.949 ( 21.666 -0.016 -5.182) 22.277 2.067 ( 5.717 12.688 -3.774) 14.419 2.228 ( 14.279 7.062 -21.421) 26.695 3.385 ( 23.388 30.985 -7.667) 39.571 4.054 ( -7.579 -4.141 2.442) 8.975 4.479 ( -15.510 -1.378 5.415) 16.486 4.623 ( -3.268 -1.261 9.604) 10.223 5.144 ( 5.010 -1.104 -5.084) 7.223 5.198 ( 6.495 -1.349 -4.882) 8.236 5.578 ( -5.647 -4.824 10.474) 12.840 5.824 ( 2.110 5.754 9.416) 11.235 6.029 ( 2.585 -7.569 6.192) 10.115 6.193 ( -4.240 -0.364 -4.865) 6.463 6.441 ( -3.099 -0.438 -3.335) 4.573 7.025 ( 4.976 6.042 -4.482) 9.020 7.545 ( -9.844 1.486 7.114) 12.236 8.228 ( 10.813 -2.331 7.192) 13.194 8.557 ( 1.407 -7.931 -11.643) 14.158 9.222 ( 3.969 11.399 -10.978) 16.316 9.876 ( 11.567 12.674 3.518) 17.516 10.343 ( -3.367 -4.643 4.243) 7.134 10.683 ( -4.968 -2.882 -3.007) 6.483 10.816 ( -3.133 -4.181 -2.703) 5.883 11.223 ( -10.057 -6.194 5.219) 12.913 11.808 ( -0.927 -3.548 7.823) 8.640 13.756 ( -15.706 -3.360 4.316) 16.631 14.085 ( -4.620 -10.611 -2.964) 11.946 14.678 ( -1.210 -9.322 1.638) 9.542 15.280 ( 9.759 1.253 -15.716) 18.542 15.972 ( -13.458 -0.652 23.382) 26.986 16.727 ( -0.397 3.482 -4.995) 6.101 17.284 ( 3.011 5.791 2.558) 7.010 17.378 ( 12.321 2.559 13.369) 18.360 17.461 ( 0.599 0.244 -9.314) 9.337 17.942 ( 1.349 4.507 -7.659) 8.989 18.409 ( 10.130 9.336 -10.097) 17.080 19.381 ( -2.460 -1.672 -1.554) 3.355 19.745 ( -5.751 -7.182 -3.604) 9.882 20.104 ( 6.098 -0.508 -0.629) 6.151 20.133 ( -4.001 -0.165 5.988) 7.204 20.555 ( -3.244 -0.730 4.111) 5.287 ======================= Grid point 86 (66/126) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 2.816 3.616 -2.915) 5.432 1.830 ( -5.400 -5.088 2.545) 7.843 2.721 ( 21.238 8.038 -13.331) 26.332 2.888 ( 23.612 8.876 -9.252) 26.869 3.791 ( -4.037 7.937 8.809) 12.525 4.092 ( -17.000 0.170 -4.120) 17.493 4.388 ( -4.494 2.347 6.959) 8.610 4.695 ( 16.703 18.384 -6.170) 25.593 5.162 ( -5.476 -7.128 10.198) 13.594 5.341 ( 12.167 -4.943 -3.680) 13.639 5.405 ( 3.292 4.195 -3.188) 6.212 5.862 ( 4.355 -8.213 1.791) 9.467 5.913 ( -8.700 1.596 3.484) 9.507 6.103 ( -3.838 1.115 -6.703) 7.804 6.383 ( -2.096 -2.436 6.891) 7.603 7.112 ( -4.563 -5.242 -5.673) 8.971 7.516 ( -2.293 12.920 6.852) 14.803 8.129 ( 0.331 -11.568 1.956) 11.737 8.711 ( 14.910 1.844 -2.192) 15.183 9.518 ( -0.815 11.581 -12.072) 16.749 10.090 ( -0.429 -7.074 8.282) 10.900 10.381 ( 5.094 2.609 3.386) 6.650 10.572 ( -2.649 5.115 -6.696) 8.833 10.641 ( -2.858 -2.090 2.368) 4.259 10.941 ( -5.842 -4.545 1.002) 7.470 11.670 ( -3.017 -6.126 6.430) 9.379 13.421 ( -11.641 -0.081 -0.071) 11.641 13.761 ( -8.290 -7.464 -10.844) 15.557 14.476 ( 4.387 -9.305 10.227) 14.506 15.318 ( -1.555 -12.313 8.428) 15.002 15.908 ( 0.521 11.714 -0.021) 11.726 16.713 ( -6.640 2.259 -12.418) 14.262 17.447 ( 5.078 1.937 0.244) 5.441 17.512 ( 3.485 0.263 -4.779) 5.921 17.663 ( 7.546 4.106 10.966) 13.930 18.035 ( -0.920 3.027 -3.939) 5.052 18.839 ( 10.245 11.150 -5.470) 16.100 19.305 ( -1.754 -1.233 -0.610) 2.229 19.478 ( -4.367 -6.888 -0.952) 8.211 19.989 ( -4.760 -4.920 4.267) 8.067 20.217 ( 4.127 0.603 0.265) 4.180 20.470 ( -3.943 -0.150 1.925) 4.391 ======================= Grid point 87 (67/126) ======================= q-point: (-0.10 -0.10 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 3.093 3.552 -0.684) 4.759 1.626 ( -4.493 -4.211 0.877) 6.220 3.214 ( 18.204 0.719 -11.471) 21.529 3.441 ( 7.521 3.271 -6.698) 10.589 3.745 ( -6.429 5.585 -4.225) 9.506 4.033 ( -8.841 2.586 1.874) 9.400 4.230 ( 0.391 9.828 6.416) 11.743 4.708 ( -8.528 -16.336 10.772) 21.345 5.440 ( 18.434 6.773 4.091) 20.061 5.532 ( 13.156 -1.345 0.004) 13.225 5.630 ( -2.106 8.422 3.521) 9.368 5.721 ( -16.073 5.910 -0.093) 17.125 5.796 ( 5.295 -5.138 1.022) 7.449 6.078 ( -7.638 -6.967 1.834) 10.500 6.270 ( 7.679 4.744 -10.833) 14.101 6.734 ( -12.220 -11.398 -12.868) 21.091 7.787 ( -1.159 12.589 8.618) 15.301 7.955 ( 3.075 -9.100 5.956) 11.302 9.101 ( 16.168 3.459 -0.850) 16.556 9.481 ( -14.272 -0.156 -4.047) 14.836 10.091 ( 8.136 0.462 -2.384) 8.490 10.288 ( -6.384 -2.427 -1.016) 6.905 10.525 ( 0.586 1.297 1.884) 2.361 10.668 ( -4.572 -4.509 1.761) 6.658 11.041 ( 8.390 11.257 1.562) 14.126 11.416 ( -6.081 -9.197 4.572) 11.936 13.306 ( -2.356 3.460 -6.772) 7.961 13.455 ( -6.447 -5.809 -11.990) 14.801 14.548 ( 11.169 0.545 16.234) 19.712 14.909 ( -11.634 -9.381 18.263) 23.598 16.250 ( 10.223 6.539 -12.250) 17.243 16.548 ( -10.386 -0.970 -14.176) 17.600 17.562 ( 1.536 1.915 -1.263) 2.761 17.578 ( 3.131 -1.327 -2.416) 4.171 17.870 ( 5.638 2.705 6.976) 9.368 18.009 ( -4.389 -0.136 1.134) 4.536 19.216 ( 1.881 4.970 0.885) 5.387 19.269 ( -0.794 -0.795 -0.341) 1.174 19.374 ( 6.794 3.282 -1.820) 7.761 19.720 ( -8.091 -7.980 1.197) 11.427 20.306 ( 4.178 -0.238 1.040) 4.312 20.387 ( -4.172 0.251 1.284) 4.372 ======================= Grid point 92 (68/126) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -15.309 20.404 -0.000) 25.509 0.935 ( -0.031 11.731 0.000) 11.731 1.373 ( -0.756 28.447 0.000) 28.458 2.349 ( -4.295 -1.548 -0.000) 4.565 2.552 ( 8.124 54.389 0.000) 54.992 4.354 ( -0.986 -16.668 -0.000) 16.697 4.663 ( 7.079 -14.444 0.000) 16.085 4.768 ( 2.765 -4.536 0.000) 5.312 5.026 ( 0.387 -4.282 -0.000) 4.299 5.163 ( -5.516 1.330 -0.000) 5.674 5.797 ( -1.299 14.159 0.000) 14.218 5.980 ( -1.730 -0.108 -0.000) 1.733 6.108 ( 1.177 -8.803 -0.000) 8.882 6.145 ( -1.077 -6.038 -0.000) 6.134 6.469 ( -0.013 -0.097 -0.000) 0.097 6.767 ( 1.756 6.002 0.000) 6.253 7.732 ( 5.986 -5.911 0.000) 8.413 8.186 ( -7.272 8.338 -0.000) 11.064 8.619 ( -9.590 -1.701 -0.000) 9.739 8.833 ( 8.626 7.952 0.000) 11.732 9.577 ( 0.662 15.216 0.000) 15.230 10.490 ( -1.000 -5.986 -0.000) 6.069 10.727 ( 0.125 -3.814 -0.000) 3.816 10.874 ( 0.806 -4.382 0.000) 4.455 11.513 ( 2.333 -11.650 0.000) 11.881 11.951 ( -1.448 -1.790 -0.000) 2.303 14.115 ( 2.201 -10.504 0.000) 10.732 14.394 ( 13.424 -6.725 0.000) 15.014 14.563 ( -15.247 1.034 -0.000) 15.282 15.071 ( -4.112 -5.233 -0.000) 6.655 16.496 ( 5.660 -8.492 0.000) 10.205 16.516 ( 3.144 0.252 0.000) 3.154 17.140 ( 1.959 5.737 0.000) 6.062 17.321 ( -5.653 -2.346 -0.000) 6.121 17.521 ( -4.690 11.273 -0.000) 12.210 17.771 ( 6.504 6.969 0.000) 9.533 17.992 ( -2.561 10.873 -0.000) 11.171 19.458 ( 0.565 -0.259 0.000) 0.621 19.829 ( -0.445 -6.099 -0.000) 6.116 19.861 ( -1.376 -1.596 -0.000) 2.108 20.358 ( 0.140 2.620 0.000) 2.624 20.662 ( 0.614 -3.649 -0.000) 3.701 ======================= Grid point 93 (69/126) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 1.844 9.580 0.000) 9.756 1.389 ( 20.907 8.397 0.000) 22.530 2.005 ( 5.132 24.074 0.000) 24.615 2.216 ( -4.015 -0.013 -0.000) 4.015 3.802 ( 11.455 42.827 0.000) 44.333 3.998 ( -1.671 -10.507 -0.000) 10.639 4.598 ( 14.962 -13.992 0.000) 20.485 4.746 ( 2.157 -3.694 0.000) 4.278 4.919 ( -16.133 -0.632 -0.000) 16.145 4.951 ( 4.241 -5.260 0.000) 6.756 5.750 ( -10.515 -6.382 -0.000) 12.300 5.806 ( 0.166 -10.876 -0.000) 10.877 6.100 ( 1.355 -1.692 0.000) 2.168 6.192 ( 2.188 10.274 0.000) 10.504 6.485 ( -1.902 4.008 -0.000) 4.437 6.996 ( 5.101 5.085 0.000) 7.203 7.755 ( 4.213 -2.349 0.000) 4.824 8.218 ( -2.094 6.841 -0.000) 7.154 8.311 ( -9.530 -7.510 -0.000) 12.133 9.201 ( 8.110 9.585 0.000) 12.556 9.986 ( 7.480 13.271 0.000) 15.234 10.276 ( -3.139 -10.148 -0.000) 10.623 10.652 ( -1.716 -0.725 -0.000) 1.863 10.777 ( -0.990 -4.216 -0.000) 4.331 11.291 ( -3.101 -8.650 -0.000) 9.189 11.849 ( -2.916 -3.317 -0.000) 4.417 13.929 ( -1.329 -6.722 -0.000) 6.852 14.162 ( -19.387 -2.811 -0.000) 19.589 14.591 ( 17.466 -6.247 0.000) 18.549 14.754 ( -11.188 -7.194 -0.000) 13.301 16.536 ( 9.292 -4.702 0.000) 10.414 16.544 ( -4.743 1.205 -0.000) 4.893 17.167 ( -0.020 -3.955 -0.000) 3.955 17.335 ( 6.404 2.523 0.000) 6.883 17.617 ( -5.717 9.894 -0.000) 11.427 18.053 ( 0.014 10.339 0.000) 10.339 18.283 ( 9.510 11.277 0.000) 14.752 19.429 ( -3.553 1.200 -0.000) 3.751 19.640 ( -3.455 -7.254 -0.000) 8.035 19.870 ( 5.886 -4.052 0.000) 7.146 20.358 ( -4.289 1.979 -0.000) 4.724 20.594 ( -0.237 -2.962 -0.000) 2.971 ======================= Grid point 94 (70/126) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.404 7.408 0.000) 7.419 1.725 ( 6.091 -6.454 0.000) 8.874 2.440 ( 17.189 10.260 0.000) 20.019 2.467 ( 7.008 7.016 0.000) 9.917 3.988 ( 5.007 7.280 0.000) 8.836 4.468 ( -0.465 -5.510 -0.000) 5.530 4.568 ( -0.037 -6.561 -0.000) 6.561 4.631 ( -5.990 -3.482 -0.000) 6.928 4.947 ( 11.168 26.127 0.000) 28.414 5.077 ( 16.641 -4.979 0.000) 17.370 5.337 ( -9.832 -11.841 -0.000) 15.391 5.622 ( 4.224 -7.712 0.000) 8.793 6.087 ( -3.341 2.719 -0.000) 4.307 6.304 ( -7.709 6.352 -0.000) 9.989 6.536 ( -2.664 0.987 -0.000) 2.841 6.961 ( -4.608 -10.642 -0.000) 11.597 7.915 ( 3.036 11.180 0.000) 11.585 8.005 ( -5.072 -4.625 -0.000) 6.864 8.422 ( 9.371 4.381 0.000) 10.345 9.558 ( 6.065 10.481 0.000) 12.110 9.954 ( -2.983 -13.934 -0.000) 14.249 10.300 ( 6.380 0.140 0.000) 6.381 10.602 ( -3.284 -1.907 -0.000) 3.798 10.800 ( 2.151 11.007 0.000) 11.215 11.022 ( -7.464 -6.570 -0.000) 9.943 11.688 ( -4.308 -5.364 -0.000) 6.880 13.708 ( -17.483 -2.539 -0.000) 17.666 13.774 ( -9.504 0.330 -0.000) 9.510 14.466 ( -0.411 -3.917 -0.000) 3.938 14.813 ( 15.855 -7.130 0.000) 17.385 16.346 ( -11.761 -1.126 -0.000) 11.814 16.604 ( 2.590 -2.479 0.000) 3.585 17.195 ( 7.857 -2.629 0.000) 8.285 17.459 ( 5.939 -2.387 0.000) 6.400 17.742 ( -0.902 8.278 0.000) 8.327 18.207 ( -2.924 7.407 -0.000) 7.963 18.781 ( 12.519 12.746 0.000) 17.866 19.372 ( -4.627 1.433 -0.000) 4.844 19.428 ( -3.975 -4.550 -0.000) 6.042 19.871 ( 3.599 -6.763 0.000) 7.661 20.284 ( -4.344 0.550 -0.000) 4.379 20.532 ( -1.106 -1.636 -0.000) 1.975 ======================= Grid point 95 (71/126) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.004 4.414 0.000) 4.414 1.622 ( -2.297 -4.190 -0.000) 4.778 2.683 ( 14.666 -4.355 0.000) 15.299 3.082 ( 22.692 7.765 0.000) 23.984 4.060 ( -18.503 -4.339 -0.000) 19.005 4.228 ( -8.623 -1.555 -0.000) 8.763 4.485 ( 4.222 -19.379 0.000) 19.833 4.543 ( 4.118 13.501 0.000) 14.115 4.990 ( 6.437 -11.107 0.000) 12.837 5.255 ( 17.325 -12.502 0.000) 21.365 5.677 ( 9.652 19.296 0.000) 21.576 5.839 ( 13.157 10.395 0.000) 16.768 6.093 ( -5.757 7.430 -0.000) 9.400 6.215 ( -10.801 4.714 -0.000) 11.785 6.286 ( -12.537 -8.500 -0.000) 15.147 6.502 ( -9.694 -14.410 -0.000) 17.367 7.900 ( -2.298 -1.496 -0.000) 2.742 8.206 ( -1.349 11.941 0.000) 12.017 8.732 ( 14.856 0.038 0.000) 14.856 9.574 ( -6.395 -10.470 -0.000) 12.269 9.916 ( 8.675 7.003 0.000) 11.149 10.293 ( -2.160 -3.341 -0.000) 3.978 10.564 ( 2.476 1.558 0.000) 2.925 10.727 ( -7.448 -5.755 -0.000) 9.412 11.178 ( 5.972 13.435 0.000) 14.703 11.429 ( -7.619 -7.749 -0.000) 10.867 13.377 ( -10.764 -0.011 -0.000) 10.764 13.518 ( -13.758 1.022 -0.000) 13.796 14.661 ( 12.403 8.446 0.000) 15.005 14.909 ( 5.604 -5.274 0.000) 7.696 16.123 ( -3.333 -3.523 -0.000) 4.850 16.483 ( -6.880 -5.343 -0.000) 8.711 17.319 ( 7.543 -1.905 0.000) 7.780 17.545 ( 9.736 -4.422 0.000) 10.693 17.871 ( -2.591 6.690 -0.000) 7.174 18.232 ( -4.975 3.015 -0.000) 5.818 19.275 ( 8.985 6.219 0.000) 10.927 19.294 ( -3.526 -0.828 -0.000) 3.622 19.328 ( -0.181 5.207 0.000) 5.210 19.703 ( -5.318 -6.959 -0.000) 8.759 20.246 ( 1.190 -0.724 0.000) 1.393 20.478 ( -2.077 -0.435 -0.000) 2.122 ======================= Grid point 96 (72/126) ======================= q-point: ( 0.11 -0.11 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -4.441 -1.736 -0.000) 4.768 1.609 ( 3.864 1.994 0.000) 4.348 2.987 ( 22.056 -2.562 0.000) 22.204 3.499 ( -16.818 0.278 -0.000) 16.820 3.694 ( 15.452 -5.149 0.000) 16.287 3.764 ( -17.210 -11.800 -0.000) 20.867 4.036 ( -2.701 -15.314 -0.000) 15.550 5.000 ( 8.082 9.555 0.000) 12.515 5.068 ( 16.726 -10.405 0.000) 19.698 5.408 ( 9.620 -0.833 0.000) 9.656 5.701 ( -18.506 -10.583 -0.000) 21.318 5.866 ( -5.725 -7.225 -0.000) 9.219 6.064 ( -11.707 5.079 -0.000) 12.761 6.141 ( -5.936 8.972 -0.000) 10.758 6.359 ( 4.976 8.637 0.000) 9.968 6.451 ( 16.886 11.604 0.000) 20.489 7.720 ( -5.836 -8.465 -0.000) 10.282 8.333 ( -6.598 10.183 -0.000) 12.134 8.989 ( 15.023 -7.117 0.000) 16.624 9.235 ( -7.281 -8.486 -0.000) 11.181 10.192 ( -2.139 0.576 -0.000) 2.216 10.218 ( 6.826 5.507 0.000) 8.771 10.527 ( -2.523 -2.608 -0.000) 3.629 10.719 ( 4.385 4.414 0.000) 6.222 11.052 ( -11.715 -8.457 -0.000) 14.449 11.543 ( 5.628 9.395 0.000) 10.952 13.280 ( -1.507 3.001 -0.000) 3.359 13.354 ( -5.721 4.546 -0.000) 7.307 14.883 ( -3.701 2.973 -0.000) 4.747 15.214 ( 15.271 14.363 0.000) 20.964 16.060 ( 7.754 -7.990 0.000) 11.134 16.110 ( -12.137 -10.431 -0.000) 16.003 17.400 ( 3.661 -2.096 0.000) 4.219 17.654 ( 10.639 -6.728 0.000) 12.588 17.895 ( -8.628 6.882 -0.000) 11.037 18.150 ( -5.803 0.485 -0.000) 5.823 19.136 ( -4.179 -9.408 -0.000) 10.294 19.307 ( -1.689 3.108 -0.000) 3.537 19.478 ( -6.147 1.152 -0.000) 6.254 19.693 ( 9.117 6.022 0.000) 10.926 20.293 ( 4.368 -0.604 0.000) 4.409 20.427 ( -3.270 0.912 -0.000) 3.395 ======================= Grid point 97 (73/126) ======================= q-point: ( 0.11 -0.11 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -6.397 -0.811 -0.000) 6.448 1.755 ( 7.631 -0.593 0.000) 7.654 2.888 ( -26.884 -8.649 -0.000) 28.241 3.069 ( -19.824 -16.897 -0.000) 26.048 3.480 ( 24.298 2.098 0.000) 24.389 3.702 ( 7.895 -6.020 0.000) 9.928 4.199 ( 17.128 1.007 0.000) 17.158 4.777 ( -32.097 -11.745 -0.000) 34.178 5.105 ( 4.623 -8.511 0.000) 9.686 5.296 ( 5.658 -0.456 0.000) 5.677 5.710 ( 6.105 -4.162 0.000) 7.389 5.740 ( -1.163 10.817 0.000) 10.880 5.987 ( -0.749 2.493 -0.000) 2.603 6.206 ( -6.278 7.848 -0.000) 10.050 6.535 ( -1.436 1.983 -0.000) 2.448 6.963 ( 11.299 6.104 0.000) 12.842 7.375 ( -5.126 -9.163 -0.000) 10.499 8.466 ( -3.805 14.238 -0.000) 14.737 8.900 ( -9.900 -6.718 -0.000) 11.964 9.012 ( 8.142 -13.247 0.000) 15.549 10.263 ( 3.359 3.380 0.000) 4.765 10.346 ( -0.788 -6.832 -0.000) 6.877 10.513 ( 2.073 3.218 0.000) 3.828 10.688 ( -7.916 -0.853 -0.000) 7.962 10.898 ( 5.010 4.248 0.000) 6.569 11.794 ( 3.812 5.127 0.000) 6.389 13.430 ( 6.864 5.521 0.000) 8.809 13.501 ( 4.648 10.271 0.000) 11.274 14.929 ( -4.719 9.687 -0.000) 10.775 15.550 ( -4.883 -19.420 -0.000) 20.025 15.848 ( 5.597 18.313 0.000) 19.149 16.088 ( 12.665 -9.568 0.000) 15.873 17.377 ( -1.054 -2.489 -0.000) 2.703 17.655 ( 5.662 -10.523 0.000) 11.949 17.832 ( -11.181 8.292 -0.000) 13.920 18.017 ( -7.059 -0.619 -0.000) 7.086 18.754 ( -9.403 -11.125 -0.000) 14.567 19.349 ( -1.389 3.792 -0.000) 4.038 19.514 ( 2.120 4.202 0.000) 4.707 19.906 ( 6.710 -1.683 0.000) 6.918 20.387 ( -4.217 3.049 -0.000) 5.204 20.397 ( 5.294 0.863 0.000) 5.364 ======================= Grid point 98 (74/126) ======================= q-point: ( 0.11 -0.11 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -9.002 -1.373 -0.000) 9.106 1.714 ( -2.724 -19.342 -0.000) 19.533 2.103 ( -29.456 -8.690 -0.000) 30.711 2.400 ( -9.700 -6.911 -0.000) 11.910 3.633 ( -39.723 -5.706 -0.000) 40.130 3.955 ( 15.650 3.786 0.000) 16.101 4.163 ( 14.920 4.757 0.000) 15.660 4.539 ( 12.212 1.900 0.000) 12.358 5.004 ( 0.721 -3.853 0.000) 3.920 5.300 ( -1.486 -3.467 -0.000) 3.772 5.872 ( 12.566 -1.616 0.000) 12.670 5.887 ( -2.485 9.703 -0.000) 10.016 6.088 ( 6.518 -2.661 0.000) 7.040 6.117 ( -11.547 -0.051 -0.000) 11.547 6.480 ( -3.829 1.824 -0.000) 4.242 6.928 ( -6.220 -4.899 -0.000) 7.918 7.455 ( 9.064 5.023 0.000) 10.363 8.542 ( -10.815 -6.736 -0.000) 12.741 8.705 ( -3.347 12.323 -0.000) 12.770 8.841 ( 2.593 -11.779 0.000) 12.061 9.967 ( -14.048 -7.306 -0.000) 15.834 10.387 ( 5.104 -0.276 0.000) 5.111 10.640 ( 1.854 2.452 0.000) 3.074 10.727 ( 5.501 2.343 0.000) 5.979 11.166 ( 10.445 6.128 0.000) 12.109 11.920 ( 2.187 1.192 0.000) 2.490 13.763 ( 11.824 6.546 0.000) 13.515 13.920 ( 9.562 13.793 0.000) 16.783 15.003 ( -6.461 -18.544 -0.000) 19.638 15.035 ( -1.321 4.954 -0.000) 5.127 16.220 ( 12.773 -2.481 0.000) 13.012 16.305 ( 5.592 11.442 0.000) 12.735 17.267 ( -4.324 -2.222 -0.000) 4.861 17.480 ( -0.788 -9.206 -0.000) 9.239 17.789 ( -8.089 6.582 -0.000) 10.429 17.814 ( -10.023 -1.991 -0.000) 10.219 18.337 ( -10.882 -7.963 -0.000) 13.484 19.406 ( -0.565 3.589 0.000) 3.634 19.678 ( 5.970 2.372 0.000) 6.424 19.917 ( 3.612 -6.464 0.000) 7.405 20.378 ( -3.660 3.522 -0.000) 5.079 20.539 ( 5.018 1.927 0.000) 5.375 ======================= Grid point 101 (75/126) ======================= q-point: ( 0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.347 7.591 1.453) 7.736 1.527 ( -4.933 0.580 2.691) 5.649 2.430 ( -10.003 12.012 4.014) 16.139 2.737 ( -4.971 15.092 18.293) 24.230 3.565 ( 9.834 -5.805 -10.661) 15.623 3.965 ( 7.352 -15.642 7.304) 18.764 4.378 ( 6.713 -9.191 -0.673) 11.401 4.684 ( 2.506 29.310 3.276) 29.598 4.927 ( -1.952 -6.471 3.676) 7.694 5.190 ( -3.426 -11.136 4.350) 12.436 5.326 ( -6.464 -0.106 -15.528) 16.820 5.784 ( -4.994 -0.904 -4.735) 6.941 6.131 ( 4.025 0.535 4.998) 6.439 6.304 ( -1.690 4.350 -5.744) 7.401 6.644 ( 0.446 2.264 4.916) 5.431 7.023 ( 0.788 3.903 -0.733) 4.048 7.361 ( 8.920 -7.378 -7.863) 13.994 8.392 ( -8.253 6.640 -10.586) 14.975 8.638 ( -11.622 -1.440 13.459) 17.841 9.175 ( 12.767 2.296 5.635) 14.143 10.123 ( -1.584 7.661 -0.826) 7.867 10.183 ( -2.900 -4.514 1.243) 5.507 10.582 ( 2.711 -4.417 -7.952) 9.492 10.808 ( 0.716 3.198 7.045) 7.770 11.090 ( 2.151 -6.125 0.071) 6.492 11.767 ( -2.293 -2.726 -7.369) 8.185 13.464 ( 7.061 -6.192 -13.802) 16.693 14.359 ( 8.157 -4.743 13.058) 16.110 14.690 ( -15.414 3.364 10.116) 18.741 14.979 ( -10.575 -1.088 1.819) 10.785 15.992 ( 14.191 -8.998 -9.351) 19.230 16.498 ( 2.606 -1.109 -0.646) 2.905 17.099 ( -4.679 -5.233 -3.892) 8.027 17.295 ( 0.235 4.205 -5.352) 6.810 17.934 ( -3.988 4.529 2.730) 6.623 18.230 ( 4.712 9.840 0.994) 10.955 18.543 ( -0.375 9.315 9.708) 13.459 19.517 ( 1.694 3.236 0.844) 3.749 19.586 ( -1.793 -5.708 1.530) 6.176 19.745 ( -2.205 -3.908 -0.342) 4.500 20.385 ( -0.865 -0.367 -4.345) 4.445 20.477 ( 2.022 -2.057 -1.411) 3.211 ======================= Grid point 102 (76/126) ======================= q-point: ( 0.32 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 2.272 -1.007 -0.764) 2.600 1.556 ( 2.103 6.471 1.190) 6.907 2.552 ( -1.280 7.602 7.409) 10.692 2.716 ( -1.477 -1.778 14.384) 14.569 3.814 ( 16.392 -13.728 4.212) 21.792 3.987 ( 9.731 11.890 -6.180) 16.561 4.345 ( 8.885 -10.396 -1.231) 13.731 4.593 ( -2.527 -17.312 -4.265) 18.008 4.884 ( -4.684 -8.130 7.152) 11.798 5.079 ( -0.123 2.508 -9.821) 10.137 5.411 ( -4.179 11.843 -0.991) 12.598 5.716 ( 0.198 8.199 9.790) 12.771 6.168 ( -1.452 -1.005 -1.460) 2.292 6.339 ( 0.022 0.989 -7.507) 7.572 6.633 ( -4.826 1.731 0.808) 5.191 6.963 ( -3.222 -8.035 8.683) 12.261 7.438 ( 10.668 -6.389 -18.933) 22.652 8.424 ( -6.579 10.989 7.273) 14.729 8.544 ( -3.173 8.403 -1.064) 9.045 9.439 ( 11.002 -3.070 2.037) 11.603 9.964 ( -5.699 -3.323 2.623) 7.099 10.245 ( 3.817 1.705 2.970) 5.128 10.537 ( -1.081 -2.394 -3.625) 4.477 10.944 ( -1.009 -6.800 1.160) 6.971 11.003 ( 1.180 10.222 0.370) 10.296 11.623 ( -5.097 -3.699 -6.630) 9.145 13.595 ( 8.586 2.611 -15.923) 18.278 14.128 ( -17.749 -0.726 4.607) 18.352 14.583 ( -15.861 1.966 8.634) 18.165 14.828 ( 8.472 1.189 19.727) 21.503 16.071 ( 6.067 -7.458 -15.961) 18.633 16.499 ( 3.523 -4.518 0.445) 5.746 17.000 ( 6.795 -4.524 1.944) 8.391 17.348 ( 0.571 -2.849 0.448) 2.940 17.924 ( -2.709 4.807 -2.837) 6.204 18.401 ( -3.182 4.728 -0.938) 5.776 18.858 ( 8.930 9.910 4.348) 14.030 19.454 ( -3.679 -0.494 -0.497) 3.746 19.543 ( -6.019 1.511 2.252) 6.602 19.699 ( 3.531 -0.471 0.266) 3.572 20.327 ( -2.999 -1.711 -2.589) 4.316 20.451 ( 1.512 -3.169 -1.225) 3.719 ======================= Grid point 103 (77/126) ======================= q-point: (-0.68 -0.12 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.286 -0.231 -2.673) 2.698 1.673 ( -1.957 3.073 2.904) 4.659 2.474 ( 9.147 -11.577 16.271) 21.965 2.987 ( 10.981 8.419 7.117) 15.559 3.875 ( 15.120 -12.663 1.755) 19.800 3.932 ( -0.898 -21.292 -4.734) 21.831 4.299 ( 2.908 -7.047 -7.761) 10.879 4.558 ( -5.542 -11.649 6.979) 14.667 4.727 ( 11.184 16.654 -1.814) 20.143 5.043 ( -5.195 -1.147 1.420) 5.506 5.542 ( 8.110 5.829 -8.358) 13.023 5.903 ( -3.751 -5.244 -11.489) 13.175 6.189 ( 4.129 9.789 6.367) 12.386 6.374 ( -2.353 5.212 2.589) 6.277 6.537 ( -8.789 1.969 0.126) 9.007 6.666 ( -3.677 -8.769 16.777) 19.284 7.477 ( 7.161 -8.765 -23.760) 26.318 8.565 ( -1.733 9.074 13.595) 16.437 8.694 ( -2.768 8.550 -7.741) 11.861 9.426 ( 0.161 -7.317 2.778) 7.828 9.911 ( 3.000 0.139 -3.101) 4.317 10.423 ( 7.929 3.080 1.488) 8.635 10.436 ( -4.351 -1.259 4.657) 6.497 10.737 ( -3.738 -5.234 3.420) 7.284 11.283 ( 2.640 9.233 -5.134) 10.890 11.404 ( -7.042 -3.881 -5.082) 9.512 13.736 ( -15.830 0.355 4.458) 16.450 13.830 ( -1.851 5.330 -6.763) 8.807 14.403 ( -4.781 9.023 0.111) 10.212 15.113 ( 6.614 7.690 16.755) 19.587 15.891 ( -1.637 -10.681 -11.913) 16.083 16.502 ( 5.753 -7.645 6.525) 11.581 17.115 ( 7.750 -2.993 0.550) 8.326 17.224 ( 4.966 -9.355 1.952) 10.770 18.043 ( -0.383 7.779 -6.291) 10.011 18.355 ( -4.981 0.360 -1.088) 5.111 19.169 ( 6.364 -0.323 -4.762) 7.954 19.400 ( -4.467 2.064 4.109) 6.411 19.460 ( -3.285 5.075 0.079) 6.046 19.773 ( -1.848 3.853 3.084) 5.269 20.209 ( -1.736 -3.028 -0.760) 3.572 20.432 ( 1.792 -2.013 -2.034) 3.376 ======================= Grid point 104 (78/126) ======================= q-point: (-0.68 -0.12 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -1.245 1.077 -1.962) 2.561 1.611 ( -2.281 -2.511 3.120) 4.609 2.596 ( 18.062 -6.024 7.177) 20.348 3.237 ( 11.802 -12.225 3.845) 17.422 3.616 ( 4.670 -3.785 4.307) 7.395 3.880 ( -9.003 -3.109 5.192) 10.848 4.053 ( -8.132 -12.137 13.937) 20.191 4.337 ( 11.553 -4.754 -20.383) 23.907 4.929 ( 7.766 -5.619 5.945) 11.279 5.374 ( 10.020 16.207 0.664) 19.066 5.591 ( -6.440 -8.952 -9.207) 14.366 5.881 ( 7.235 5.344 -16.083) 18.427 6.128 ( -14.091 -5.570 4.103) 15.697 6.360 ( -2.518 0.675 2.624) 3.699 6.561 ( -2.896 7.373 4.361) 9.043 6.699 ( 8.157 6.759 16.125) 19.293 7.358 ( 1.600 -10.588 -21.015) 23.586 8.636 ( -7.658 7.695 -9.941) 14.720 8.800 ( 5.041 -0.371 14.635) 15.483 9.226 ( -6.680 -5.083 3.446) 9.074 10.021 ( 7.635 -1.264 -7.985) 11.120 10.317 ( -2.867 -1.448 2.094) 3.834 10.591 ( -0.958 1.082 7.700) 7.835 10.684 ( 4.263 1.916 2.420) 5.263 11.121 ( -9.513 -1.991 -6.088) 11.468 11.548 ( 4.165 6.060 -5.145) 8.975 13.421 ( -12.350 0.488 -0.976) 12.398 13.872 ( -6.384 10.011 12.065) 16.928 14.717 ( 6.689 12.928 -10.909) 18.190 15.319 ( -5.444 7.544 -3.453) 9.923 15.700 ( 9.852 -14.290 7.175) 18.782 16.340 ( -3.772 -6.289 11.996) 14.059 17.111 ( 10.248 -10.064 -5.776) 15.481 17.303 ( 7.718 -2.454 1.154) 8.181 18.131 ( -2.944 1.879 -6.702) 7.557 18.290 ( -4.838 5.144 0.282) 7.067 19.051 ( -3.654 -7.940 0.010) 8.740 19.433 ( -1.928 4.836 1.386) 5.388 19.552 ( -0.743 4.140 -3.893) 5.731 19.753 ( -3.678 1.296 4.523) 5.972 20.200 ( 3.380 0.211 -0.162) 3.391 20.436 ( 1.098 -0.576 -1.822) 2.204 ======================= Grid point 105 (79/126) ======================= q-point: ( 0.32 -0.12 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -5.293 1.329 0.093) 5.458 1.559 ( 4.026 -3.694 -0.798) 5.521 2.837 ( 13.815 -6.805 -4.255) 15.977 3.066 ( -10.078 -15.564 5.478) 19.335 3.482 ( 3.823 -1.060 19.506) 19.905 3.621 ( -12.438 2.519 0.993) 12.730 4.011 ( 11.367 5.543 6.176) 14.074 4.642 ( 18.850 -1.299 -12.698) 22.765 5.027 ( 5.811 -2.537 3.306) 7.151 5.238 ( -9.868 -7.045 -3.581) 12.643 5.648 ( -13.730 -6.957 1.812) 15.498 5.792 ( 3.956 3.049 -0.123) 4.996 6.029 ( -1.493 5.883 -4.954) 7.835 6.362 ( 1.074 -0.818 -4.420) 4.621 6.631 ( -2.796 5.308 4.328) 7.398 7.014 ( 8.758 4.887 9.033) 13.497 7.169 ( -2.010 -4.968 -16.343) 17.200 8.607 ( -6.084 1.348 -16.240) 17.395 8.845 ( 3.953 -8.168 20.601) 22.511 9.008 ( -5.889 3.867 2.781) 7.574 10.138 ( 5.744 -1.959 -3.618) 7.066 10.265 ( 0.723 -2.985 0.998) 3.229 10.533 ( -3.671 -0.255 -0.377) 3.699 10.790 ( -1.348 5.316 -0.698) 5.529 10.997 ( -1.475 1.198 2.832) 3.410 11.712 ( 3.597 1.621 -6.552) 7.648 13.302 ( -3.078 4.302 -8.590) 10.088 14.047 ( -0.469 13.460 18.318) 22.737 14.979 ( -0.797 -0.767 -5.073) 5.192 15.239 ( -0.829 -8.622 -3.428) 9.316 15.621 ( 5.663 -1.411 0.748) 5.884 16.333 ( 3.067 5.693 10.769) 12.561 17.115 ( 8.923 -9.565 -7.946) 15.306 17.353 ( 1.058 -1.776 -2.033) 2.899 18.060 ( -2.111 -2.280 -2.152) 3.780 18.298 ( -9.013 7.748 0.453) 11.895 18.788 ( -6.739 -6.154 5.331) 10.569 19.488 ( -1.766 4.275 -0.005) 4.625 19.565 ( -1.639 1.071 0.538) 2.030 19.736 ( 2.692 -2.582 -0.229) 3.737 20.306 ( 3.924 1.837 -1.714) 4.659 20.447 ( 0.179 0.178 -1.362) 1.385 ======================= Grid point 110 (80/126) ======================= q-point: (-0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.746 -0.476 -2.869) 3.002 1.636 ( 4.424 3.221 -0.231) 5.478 2.373 ( 4.420 -15.210 -4.336) 16.422 3.143 ( -5.308 -8.567 11.207) 15.072 3.613 ( -2.852 -0.676 -12.689) 13.023 3.907 ( -1.032 -0.396 9.414) 9.478 4.039 ( 3.024 -9.158 18.338) 20.719 4.379 ( 6.058 5.097 2.356) 8.261 4.804 ( 2.044 -10.203 -7.761) 12.981 5.135 ( -8.548 -1.057 7.872) 11.668 5.537 ( -2.562 1.374 -8.809) 9.276 5.758 ( -2.491 2.809 -12.729) 13.271 6.085 ( 6.560 -4.403 -2.728) 8.358 6.518 ( 0.646 5.021 6.303) 8.084 6.656 ( -1.277 0.769 0.643) 1.623 6.780 ( 1.921 -2.369 -4.086) 5.099 7.157 ( -3.270 -4.411 11.329) 12.589 8.383 ( 2.981 5.963 -19.743) 20.838 9.118 ( -7.254 8.912 7.728) 13.848 9.247 ( 6.420 -1.227 3.413) 7.374 9.770 ( 0.795 -12.917 -8.050) 15.241 10.259 ( -1.362 0.311 2.051) 2.482 10.684 ( -2.117 10.665 1.528) 10.980 10.928 ( 0.377 -2.031 5.082) 5.486 11.099 ( 3.330 3.925 -0.516) 5.173 11.514 ( -1.552 -3.107 -1.674) 3.856 13.410 ( 1.447 12.701 -2.659) 13.057 14.448 ( 0.162 0.907 3.510) 3.629 14.991 ( -3.369 -1.924 0.120) 3.882 15.343 ( 2.552 7.487 23.510) 24.805 15.469 ( -1.401 -1.270 -11.772) 11.923 16.356 ( -3.379 -4.059 -1.570) 5.510 16.813 ( 4.978 -8.673 6.252) 11.794 17.262 ( 0.254 -4.117 -0.659) 4.177 17.920 ( -2.423 -0.552 -6.152) 6.635 18.404 ( 0.750 0.126 -6.625) 6.668 18.820 ( 0.767 -3.216 -7.237) 7.956 19.535 ( -2.140 2.597 -1.284) 3.602 19.713 ( 2.335 4.989 5.538) 7.811 19.809 ( 0.538 7.959 2.177) 8.269 20.242 ( 0.437 -2.509 -0.668) 2.633 20.364 ( -1.458 -4.027 0.596) 4.324 ======================= Grid point 111 (81/126) ======================= q-point: (-0.47 -0.13 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.388 1.916 -4.028) 4.672 1.842 ( 5.008 5.036 2.774) 7.625 2.149 ( 6.061 -21.188 1.173) 22.069 2.699 ( 11.373 -26.626 -3.577) 29.174 3.671 ( -1.721 6.554 3.946) 7.841 3.804 ( -3.313 -4.014 19.897) 20.567 4.036 ( 8.901 -0.783 15.034) 17.489 4.531 ( 0.787 1.254 -34.170) 34.202 4.821 ( -9.611 -9.041 13.178) 18.649 4.987 ( 13.650 6.941 4.985) 16.105 5.476 ( 0.663 -4.701 -1.875) 5.104 5.642 ( -7.025 0.500 -8.220) 10.825 6.156 ( 4.244 -3.346 -8.877) 10.393 6.532 ( -0.730 -0.461 -9.429) 9.468 6.682 ( -2.570 0.465 -1.123) 2.843 6.895 ( 5.746 7.044 16.536) 18.870 6.998 ( -3.392 -3.965 11.359) 12.500 8.502 ( -1.936 2.102 -25.402) 25.563 9.120 ( -3.726 3.653 12.843) 13.862 9.309 ( 3.279 -1.580 -3.221) 4.860 9.648 ( 3.959 -6.176 -10.711) 12.983 10.251 ( 1.323 -0.636 1.548) 2.134 10.805 ( -2.516 5.498 8.662) 10.564 10.906 ( -2.801 4.148 7.303) 8.854 11.221 ( -1.588 2.344 -9.120) 9.549 11.405 ( -0.556 -2.335 4.498) 5.098 13.776 ( 3.084 16.540 -5.372) 17.662 14.209 ( -18.337 -1.408 4.710) 18.985 15.045 ( 1.197 7.423 12.887) 14.920 15.304 ( 2.360 -9.327 -3.707) 10.310 15.591 ( -7.313 11.754 3.051) 14.175 16.264 ( 8.748 -6.360 4.929) 11.885 16.888 ( 12.180 -4.408 4.285) 13.643 17.025 ( -1.858 -15.046 4.551) 15.829 17.974 ( -0.226 6.116 -11.950) 13.426 18.324 ( -2.851 -2.743 -7.416) 8.406 18.787 ( 5.523 -6.681 -11.916) 14.735 19.561 ( -3.391 5.448 -3.849) 7.483 19.814 ( -3.013 5.494 10.260) 12.022 20.004 ( -1.889 8.176 1.637) 8.550 20.148 ( -1.254 -4.709 -0.446) 4.893 20.283 ( 2.880 -3.433 1.166) 4.630 ======================= Grid point 112 (82/126) ======================= q-point: (-0.47 -0.13 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -2.162 2.214 -4.523) 5.480 1.626 ( -1.210 -12.566 0.545) 12.636 2.139 ( 9.906 -2.861 -2.522) 10.615 2.765 ( 29.299 -11.113 1.535) 31.373 3.736 ( 5.491 -1.557 16.276) 17.248 3.757 ( -0.745 1.752 3.021) 3.571 4.251 ( -10.355 1.254 8.650) 13.551 4.333 ( 0.015 -3.961 20.067) 20.455 4.592 ( 3.920 -1.728 -28.263) 28.585 5.317 ( 2.038 -7.805 0.484) 8.081 5.431 ( 10.996 0.106 -0.019) 10.996 5.698 ( -0.370 13.201 -6.125) 14.558 6.035 ( -1.896 -8.454 -11.013) 14.013 6.531 ( 0.022 0.968 -8.325) 8.381 6.693 ( -1.153 3.859 -1.168) 4.194 6.815 ( -4.416 -4.635 12.823) 14.332 7.118 ( 4.598 1.035 17.457) 18.082 8.432 ( -5.478 1.828 -27.391) 27.993 9.148 ( -0.452 3.119 7.645) 8.269 9.359 ( -0.870 -1.194 2.259) 2.699 9.578 ( 5.430 -5.262 -10.839) 13.216 10.277 ( 2.057 -1.307 0.415) 2.472 10.832 ( -2.107 1.725 9.906) 10.274 10.944 ( -5.299 4.025 9.535) 11.627 11.111 ( -5.763 1.148 -7.932) 9.871 11.451 ( 3.522 0.511 -0.187) 3.564 13.750 ( -18.086 -1.788 2.080) 18.293 14.216 ( 1.790 16.794 -1.889) 16.995 15.098 ( -0.948 -7.201 -6.613) 9.823 15.263 ( -1.979 9.264 19.708) 21.866 15.588 ( -2.929 -0.634 -1.929) 3.564 16.437 ( 5.922 0.583 7.813) 9.821 16.631 ( 4.573 -15.191 3.449) 16.235 17.109 ( 11.543 -1.753 2.656) 11.974 17.995 ( -3.931 -0.275 -11.597) 12.248 18.325 ( 1.939 3.446 -7.721) 8.675 18.772 ( 5.979 -5.683 -10.902) 13.671 19.594 ( -3.767 3.710 -4.350) 6.847 19.796 ( -7.199 3.195 9.968) 12.704 19.935 ( -6.767 0.572 0.232) 6.796 20.175 ( 2.283 1.482 0.202) 2.730 20.312 ( 4.726 -2.350 2.105) 5.682 ======================= Grid point 116 (83/126) ======================= q-point: ( 0.53 -0.13 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -1.913 1.422 3.132) 3.936 1.763 ( 4.344 -3.917 -3.502) 6.817 2.979 ( -6.651 26.186 8.603) 28.354 3.250 ( -9.460 9.385 24.050) 27.494 3.586 ( -9.411 -4.553 -9.784) 14.319 4.111 ( 1.152 -6.096 -3.882) 7.319 4.226 ( 0.773 -1.607 -7.393) 7.605 4.831 ( -16.679 12.899 6.178) 21.971 4.874 ( 10.722 -7.146 -14.747) 19.583 5.394 ( -2.890 -0.458 -1.579) 3.325 5.441 ( -0.523 7.920 2.318) 8.269 5.749 ( -3.854 0.305 -7.375) 8.327 5.947 ( 3.866 -0.298 5.620) 6.828 6.257 ( 4.335 -6.336 3.310) 8.360 6.359 ( 0.028 1.484 9.269) 9.387 7.161 ( 3.253 -2.296 -3.103) 5.048 7.364 ( -10.083 0.137 -6.418) 11.953 8.068 ( 9.594 -1.390 -1.153) 9.762 8.821 ( -1.631 7.697 7.054) 10.567 9.759 ( -5.955 -5.431 1.755) 8.248 9.891 ( -1.761 8.738 -2.807) 9.345 10.310 ( -0.550 0.336 -2.546) 2.626 10.597 ( 2.198 -4.377 -1.135) 5.027 10.769 ( -1.136 -1.666 10.838) 11.024 10.881 ( 4.616 -2.239 -4.540) 6.851 11.504 ( 4.409 -2.499 -8.211) 9.649 13.514 ( -4.397 -9.757 8.173) 13.466 13.806 ( 8.904 3.332 -7.556) 12.144 14.467 ( 11.921 -6.289 9.687) 16.598 14.945 ( 10.585 -13.364 -19.988) 26.270 16.072 ( -12.680 10.692 9.036) 18.888 16.849 ( -2.755 -0.028 -0.591) 2.818 17.395 ( -2.512 8.812 -9.176) 12.968 17.445 ( -5.832 5.841 -2.784) 8.711 17.674 ( -1.405 -2.550 9.310) 9.754 18.123 ( 1.524 -1.137 4.281) 4.684 18.988 ( -8.388 7.141 7.951) 13.585 19.321 ( 1.590 -2.062 0.779) 2.718 19.481 ( 7.600 -5.016 -1.153) 9.178 19.888 ( 3.673 -3.371 -4.636) 6.808 20.213 ( -0.780 2.641 -0.122) 2.757 20.423 ( -0.325 -2.306 -2.002) 3.071 ======================= Grid point 119 (84/126) ======================= q-point: (-0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 3.810 -8.542 -17.180) 19.561 1.343 ( 0.217 -17.552 -13.977) 22.439 1.873 ( -2.218 -14.265 -8.857) 16.937 2.227 ( 0.205 1.592 7.969) 8.129 3.260 ( -0.007 -0.550 -58.435) 58.438 4.210 ( -1.311 2.383 21.523) 21.694 4.255 ( 2.103 -2.053 25.422) 25.591 4.655 ( -9.661 13.901 12.578) 21.090 4.882 ( 15.573 1.235 9.376) 18.220 5.112 ( -9.203 -7.935 5.825) 13.476 5.208 ( 2.320 -9.683 0.358) 9.964 5.796 ( -5.032 3.645 1.719) 6.447 5.875 ( 5.127 -4.115 2.804) 7.147 6.382 ( 0.053 0.728 -6.563) 6.604 6.620 ( -0.352 -1.764 -2.791) 3.320 7.253 ( 2.114 12.475 -0.788) 12.678 7.439 ( -4.082 1.743 16.405) 16.995 7.847 ( 2.274 -11.521 -17.310) 20.918 9.110 ( 1.896 1.270 -15.652) 15.817 9.139 ( -1.317 -1.980 -15.805) 15.983 9.307 ( -0.728 -7.451 3.173) 8.131 10.359 ( 0.003 1.467 7.957) 8.091 10.997 ( -1.455 3.746 -7.537) 8.542 11.015 ( 1.378 1.938 -7.670) 8.030 11.347 ( -0.148 3.672 16.410) 16.816 11.607 ( 0.189 -0.064 15.696) 15.697 14.146 ( -1.581 16.933 2.668) 17.215 14.516 ( 2.676 -0.193 1.496) 3.072 14.673 ( -0.092 -7.137 -4.307) 8.336 15.401 ( -1.857 0.961 -5.378) 5.770 16.171 ( 8.767 11.032 15.906) 21.251 16.353 ( -15.085 4.020 5.223) 16.462 16.647 ( 10.539 -7.630 10.842) 16.936 16.854 ( -3.361 -17.073 7.243) 18.848 17.845 ( 0.113 7.370 -14.293) 16.082 18.086 ( -0.592 -2.994 -12.226) 12.601 18.229 ( 0.406 -9.611 -14.989) 17.810 19.602 ( -0.316 3.286 -5.703) 6.590 19.929 ( 1.314 1.443 -1.816) 2.666 20.017 ( -1.166 -5.591 -2.476) 6.225 20.251 ( 0.861 6.988 2.715) 7.547 20.431 ( -0.660 0.576 12.748) 12.778 ======================= Grid point 123 (85/126) ======================= q-point: (-0.26 -0.14 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.245 1.426 -1.888) 3.262 1.673 ( -3.925 -2.667 1.649) 5.023 3.425 ( -3.567 10.794 -3.401) 11.866 3.439 ( 14.335 10.980 1.834) 18.150 3.534 ( 12.725 7.331 -10.274) 17.923 3.953 ( -8.538 -0.665 -5.940) 10.422 4.170 ( -3.671 -3.741 0.557) 5.271 4.662 ( -10.824 -6.780 12.814) 18.093 5.118 ( 11.661 14.351 3.305) 18.784 5.410 ( 1.460 1.817 3.667) 4.345 5.614 ( 8.220 1.661 -0.767) 8.421 5.727 ( -3.852 0.528 -3.640) 5.326 5.836 ( -7.191 -2.231 2.573) 7.957 6.193 ( -0.275 -11.374 1.591) 11.488 6.450 ( 6.287 4.235 -12.156) 14.326 7.062 ( -5.455 -3.426 1.304) 6.572 7.402 ( 1.335 8.736 0.190) 8.840 8.020 ( -1.667 -9.653 6.603) 11.813 8.987 ( 6.483 6.698 1.247) 9.405 9.605 ( -7.684 -0.170 -5.926) 9.706 10.072 ( 8.051 3.639 -0.195) 8.837 10.285 ( -2.907 -0.758 2.387) 3.837 10.528 ( -1.662 -1.566 3.139) 3.882 10.715 ( -2.216 0.581 -5.947) 6.373 10.911 ( 3.268 -0.492 -0.856) 3.414 11.444 ( -3.019 -5.948 7.256) 9.856 13.382 ( -2.505 6.373 -10.079) 12.185 13.828 ( -1.100 -8.060 -0.960) 8.191 14.445 ( 3.852 -12.039 -0.480) 12.649 14.679 ( -11.201 -12.356 19.526) 25.679 16.273 ( 7.728 14.085 -7.642) 17.790 16.795 ( -4.424 1.962 -6.522) 8.122 17.461 ( -2.752 6.730 -0.558) 7.292 17.526 ( 2.314 9.257 6.889) 11.769 17.730 ( 6.917 -4.709 -0.563) 8.387 18.099 ( -0.894 -5.151 -2.633) 5.853 19.106 ( 4.021 7.591 -4.511) 9.703 19.312 ( 0.508 -2.016 -0.838) 2.242 19.406 ( -1.717 -4.472 1.715) 5.088 19.792 ( -4.614 -3.075 2.707) 6.170 20.272 ( 1.804 -0.148 2.184) 2.837 20.379 ( -1.228 -0.631 -0.526) 1.478 ======================= Grid point 124 (86/126) ======================= q-point: ( 0.74 -0.14 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -1.254 1.628 0.930) 2.256 1.583 ( 2.265 -2.264 -0.918) 3.332 3.480 ( -12.727 5.544 -13.088) 19.079 3.684 ( -11.743 -1.702 -6.013) 13.302 3.862 ( 8.216 -0.005 -3.820) 9.061 3.877 ( 6.518 8.690 9.330) 14.320 4.175 ( 0.874 3.361 7.646) 8.398 4.357 ( 3.803 -7.984 2.722) 9.253 5.331 ( -14.703 5.146 -1.264) 15.629 5.469 ( -1.858 3.572 3.761) 5.510 5.647 ( -1.670 3.158 -2.104) 4.146 5.724 ( -1.201 2.476 2.977) 4.054 5.880 ( 13.528 0.212 0.349) 13.534 5.928 ( 2.407 -13.795 3.391) 14.408 6.676 ( -5.620 2.777 -5.707) 8.477 6.849 ( 4.278 -3.153 -11.456) 12.629 7.574 ( -3.595 9.335 5.090) 11.224 7.860 ( 5.410 -9.615 7.854) 13.542 9.166 ( -11.514 4.780 -0.263) 12.469 9.469 ( 8.328 -1.745 -3.258) 9.111 10.210 ( -4.849 0.290 -3.336) 5.893 10.258 ( 2.642 1.436 1.816) 3.513 10.498 ( -0.258 1.026 1.976) 2.241 10.629 ( 3.447 -4.298 -2.124) 5.905 11.091 ( -1.631 5.547 5.523) 7.996 11.249 ( 1.668 -5.551 -0.060) 5.796 13.555 ( 3.292 6.369 -12.024) 13.999 13.664 ( 0.037 -5.167 -5.935) 7.869 14.241 ( -7.596 -5.280 7.599) 11.972 14.480 ( 13.151 -4.763 16.680) 21.768 16.537 ( -9.614 5.525 -6.789) 13.002 16.747 ( 5.088 0.280 -8.607) 10.002 17.500 ( -6.080 5.395 -2.449) 8.490 17.680 ( -1.660 3.512 0.576) 3.927 17.750 ( -1.888 -1.793 4.621) 5.304 17.999 ( 6.981 -5.465 2.177) 9.129 19.226 ( 1.024 0.787 0.822) 1.531 19.258 ( 1.343 -2.139 0.153) 2.531 19.450 ( -5.432 4.216 1.395) 7.016 19.649 ( 4.293 -4.156 -2.249) 6.385 20.280 ( -2.658 1.220 0.394) 2.951 20.364 ( 2.589 -1.152 1.085) 3.034 ======================= Grid point 125 (87/126) ======================= q-point: (-0.26 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -0.895 -2.596 -1.251) 3.018 1.672 ( 2.414 3.739 2.029) 4.891 3.103 ( -22.685 -5.423 -11.069) 25.818 3.374 ( -9.299 -2.239 -18.605) 20.920 3.827 ( -1.876 -12.155 9.421) 15.492 4.084 ( 5.643 1.895 3.975) 7.157 4.214 ( 5.889 0.682 7.482) 9.546 4.630 ( 6.815 11.011 12.733) 18.161 5.059 ( -14.706 -2.237 -5.264) 15.779 5.399 ( -3.930 0.811 -4.640) 6.135 5.552 ( -2.947 -10.322 1.829) 10.890 5.725 ( -2.724 5.414 -2.736) 6.650 5.917 ( 3.497 0.101 7.169) 7.977 6.188 ( 12.503 1.604 1.102) 12.653 6.411 ( -5.819 -4.476 -13.906) 15.725 7.067 ( 3.875 5.410 -0.177) 6.657 7.546 ( -2.895 -4.854 11.402) 12.726 7.903 ( 4.641 3.379 -1.117) 5.849 8.874 ( -11.338 -2.789 -7.875) 14.083 9.730 ( 6.764 4.698 7.254) 10.974 10.019 ( -7.282 -6.250 -9.187) 13.285 10.316 ( 1.206 -0.261 5.301) 5.443 10.497 ( 0.838 4.236 -0.237) 4.325 10.788 ( 6.108 3.678 1.840) 7.364 10.898 ( -3.422 -7.681 -2.558) 8.790 11.405 ( 4.288 4.769 4.583) 7.883 13.593 ( 2.867 -2.129 -4.142) 5.469 13.691 ( -0.105 1.789 2.645) 3.195 14.264 ( 8.274 6.728 -10.301) 14.827 14.783 ( 14.401 4.370 18.909) 24.167 16.262 ( -12.640 -5.108 -9.247) 16.473 16.858 ( -0.285 1.356 -0.364) 1.433 17.414 ( -8.087 0.760 -0.079) 8.123 17.532 ( -9.824 -2.724 5.851) 11.755 17.727 ( 4.612 -2.350 -5.243) 7.368 18.110 ( 5.521 -0.786 -0.007) 5.577 19.147 ( -7.127 -6.060 -2.903) 9.795 19.306 ( 3.314 -0.128 -0.475) 3.350 19.362 ( 2.164 3.261 -0.460) 3.941 19.792 ( 2.849 4.556 2.553) 5.949 20.237 ( -1.069 -1.011 -0.436) 1.535 20.419 ( 2.373 0.583 2.162) 3.263 ======================= Grid point 138 (88/126) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.289 10.286 0.000) 10.290 1.299 ( -13.107 14.447 -0.000) 19.507 1.982 ( -2.641 28.887 0.000) 29.008 2.301 ( -3.899 -0.208 -0.000) 3.905 3.631 ( 4.659 45.139 0.000) 45.379 4.010 ( 0.956 -15.690 -0.000) 15.719 4.327 ( 10.701 -15.439 0.000) 18.785 4.628 ( 6.497 -9.235 0.000) 11.291 4.944 ( -1.930 -3.160 -0.000) 3.703 5.179 ( -8.765 -0.353 -0.000) 8.773 5.829 ( -2.074 -12.622 -0.000) 12.791 5.959 ( -8.666 -5.640 -0.000) 10.340 6.037 ( 4.569 -0.483 0.000) 4.595 6.136 ( 2.196 13.500 0.000) 13.677 6.507 ( 0.193 3.142 0.000) 3.148 6.906 ( 2.529 6.752 0.000) 7.210 7.597 ( 8.287 -6.610 0.000) 10.600 8.369 ( -9.329 8.972 -0.000) 12.943 8.549 ( -12.770 -4.993 -0.000) 13.711 8.992 ( 11.719 6.800 0.000) 13.549 9.896 ( 0.670 14.175 0.000) 14.190 10.346 ( -3.183 -7.561 -0.000) 8.203 10.667 ( 0.272 -0.921 0.000) 0.960 10.771 ( 1.488 -5.289 0.000) 5.494 11.277 ( 3.809 -10.404 0.000) 11.079 11.908 ( -2.125 -2.345 -0.000) 3.165 13.886 ( 4.674 -10.515 0.000) 11.507 14.234 ( 16.129 -8.137 0.000) 18.065 14.587 ( -20.536 1.338 -0.000) 20.580 14.990 ( -8.854 -2.611 -0.000) 9.231 16.305 ( 10.004 -9.722 0.000) 13.950 16.509 ( 7.039 -0.870 0.000) 7.092 17.256 ( 1.380 5.124 0.000) 5.307 17.275 ( -9.072 -2.712 -0.000) 9.468 17.740 ( -5.126 9.349 -0.000) 10.662 17.959 ( 8.443 10.991 0.000) 13.860 18.216 ( -2.959 10.475 -0.000) 10.885 19.464 ( 0.988 1.058 0.000) 1.448 19.690 ( -1.084 -6.836 -0.000) 6.922 19.817 ( -1.715 -2.679 -0.000) 3.181 20.411 ( -0.517 2.242 -0.000) 2.301 20.578 ( 1.582 -4.253 0.000) 4.538 ======================= Grid point 139 (89/126) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.649 8.855 0.000) 8.879 1.507 ( 9.546 2.533 0.000) 9.876 2.292 ( -0.809 7.906 0.000) 7.948 2.417 ( -1.820 13.141 0.000) 13.266 3.876 ( 5.846 0.527 0.000) 5.870 4.133 ( 16.982 -14.957 0.000) 22.630 4.625 ( 9.958 -8.768 0.000) 13.268 4.748 ( 7.338 32.029 0.000) 32.859 4.843 ( 1.360 -4.591 0.000) 4.788 4.879 ( -13.889 -4.317 -0.000) 14.545 5.558 ( 1.606 -10.731 -0.000) 10.851 5.568 ( -11.704 -9.720 -0.000) 15.214 6.121 ( 0.047 3.165 0.000) 3.165 6.399 ( -1.624 7.687 -0.000) 7.857 6.572 ( -1.016 3.852 -0.000) 3.984 7.003 ( 0.021 -5.226 -0.000) 5.226 7.744 ( 11.858 1.527 0.000) 11.956 8.172 ( -10.605 -4.905 -0.000) 11.684 8.396 ( -5.326 10.533 -0.000) 11.803 9.372 ( 11.332 6.073 0.000) 12.857 10.059 ( -6.424 -9.553 -0.000) 11.513 10.167 ( 5.222 3.730 0.000) 6.418 10.657 ( -1.581 -3.433 -0.000) 3.779 10.768 ( 1.334 8.325 0.000) 8.431 11.116 ( -1.255 -8.386 -0.000) 8.479 11.779 ( -4.346 -3.465 -0.000) 5.558 13.832 ( 3.116 -2.016 0.000) 3.712 14.111 ( -19.917 -2.503 -0.000) 20.074 14.469 ( 15.699 -4.363 0.000) 16.294 14.638 ( -14.508 -3.975 -0.000) 15.043 16.418 ( 14.161 -6.526 0.000) 15.592 16.546 ( -4.926 -1.314 -0.000) 5.098 17.081 ( 1.317 -4.432 0.000) 4.624 17.370 ( 2.461 0.341 0.000) 2.485 17.804 ( -4.503 8.181 -0.000) 9.338 18.260 ( -1.957 8.850 -0.000) 9.064 18.532 ( 10.763 12.641 0.000) 16.603 19.470 ( -4.277 2.660 -0.000) 5.037 19.509 ( -3.511 -4.830 -0.000) 5.971 19.778 ( 4.194 -4.671 0.000) 6.278 20.381 ( -4.243 0.116 -0.000) 4.244 20.530 ( 1.213 -3.129 0.000) 3.356 ======================= Grid point 140 (90/126) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -1.478 6.180 -0.000) 6.355 1.617 ( 3.178 -3.774 0.000) 4.934 2.471 ( 5.059 -6.014 0.000) 7.859 2.671 ( 14.573 11.784 0.000) 18.742 4.176 ( 19.232 -16.958 0.000) 25.640 4.248 ( 5.703 15.582 0.000) 16.592 4.409 ( -12.947 -12.926 -0.000) 18.295 4.560 ( -3.097 -2.333 -0.000) 3.878 4.860 ( 18.286 -15.025 0.000) 23.667 5.109 ( -13.328 -7.776 -0.000) 15.430 5.500 ( 7.076 23.693 0.000) 24.727 5.584 ( 10.692 3.669 0.000) 11.303 6.186 ( -2.885 6.219 -0.000) 6.855 6.385 ( -5.933 -0.230 -0.000) 5.938 6.514 ( -8.475 -1.324 -0.000) 8.578 6.678 ( -7.103 -15.458 -0.000) 17.012 7.980 ( -5.431 1.311 -0.000) 5.587 8.088 ( 12.709 4.382 0.000) 13.443 8.582 ( -0.749 11.190 0.000) 11.215 9.616 ( 5.567 -11.558 0.000) 12.829 9.814 ( -2.402 7.855 -0.000) 8.214 10.272 ( 3.754 -1.990 0.000) 4.249 10.545 ( -0.669 -2.669 -0.000) 2.752 10.869 ( -5.286 -8.184 -0.000) 9.743 11.078 ( 3.711 13.776 0.000) 14.267 11.577 ( -6.651 -5.177 -0.000) 8.429 13.676 ( -17.344 -0.591 -0.000) 17.354 13.808 ( -11.274 2.552 -0.000) 11.559 14.462 ( 4.390 3.790 0.000) 5.800 14.705 ( 12.796 -2.459 0.000) 13.031 16.274 ( -9.979 -6.001 -0.000) 11.644 16.515 ( 5.133 -5.832 0.000) 7.770 17.149 ( 8.627 -1.849 0.000) 8.822 17.371 ( 5.353 -6.076 0.000) 8.097 17.922 ( -2.169 8.972 -0.000) 9.230 18.324 ( -3.979 3.623 -0.000) 5.381 19.038 ( 11.727 11.307 0.000) 16.290 19.387 ( -3.477 1.096 -0.000) 3.646 19.393 ( -5.664 -0.301 -0.000) 5.672 19.750 ( 0.721 -4.028 -0.000) 4.093 20.271 ( -3.418 -1.679 -0.000) 3.808 20.496 ( 0.382 -1.848 0.000) 1.887 ======================= Grid point 141 (91/126) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -2.184 -1.546 -0.000) 2.675 1.575 ( -0.790 1.517 -0.000) 1.710 2.566 ( 17.719 -5.663 0.000) 18.602 3.247 ( 19.363 7.079 0.000) 20.617 3.835 ( -9.416 -16.692 -0.000) 19.165 4.097 ( -14.774 -9.767 -0.000) 17.711 4.118 ( 1.953 -15.096 -0.000) 15.222 4.809 ( 1.775 -5.411 0.000) 5.695 4.811 ( 10.738 1.962 0.000) 10.916 5.083 ( 18.499 4.495 0.000) 19.037 5.948 ( -0.771 2.898 -0.000) 2.999 6.039 ( -0.303 0.441 -0.000) 0.535 6.105 ( 2.902 0.864 0.000) 3.028 6.229 ( -1.892 0.629 -0.000) 1.994 6.317 ( -10.422 3.651 -0.000) 11.043 6.318 ( -2.726 5.193 -0.000) 5.865 7.855 ( -6.744 -3.873 -0.000) 7.777 8.386 ( 6.049 4.468 0.000) 7.521 8.756 ( 2.519 3.333 0.000) 4.178 9.342 ( -3.598 -10.000 -0.000) 10.627 10.086 ( 5.570 7.871 0.000) 9.642 10.231 ( -1.154 -2.619 -0.000) 2.862 10.607 ( -4.482 -5.707 -0.000) 7.257 10.611 ( 5.761 2.688 0.000) 6.357 11.281 ( -10.212 -6.082 -0.000) 11.886 11.431 ( 4.960 10.586 0.000) 11.691 13.403 ( -10.164 2.557 -0.000) 10.481 13.560 ( -13.422 3.233 -0.000) 13.806 14.885 ( 4.080 3.095 0.000) 5.121 14.892 ( 15.065 12.473 0.000) 19.558 15.983 ( -1.051 -9.768 -0.000) 9.825 16.329 ( -7.739 -8.740 -0.000) 11.674 17.290 ( 6.850 -0.991 0.000) 6.922 17.406 ( 12.225 -8.533 0.000) 14.909 18.043 ( -5.270 9.344 -0.000) 10.728 18.260 ( -4.956 -0.101 -0.000) 4.957 19.216 ( -4.348 -6.856 -0.000) 8.118 19.335 ( 0.310 3.312 0.000) 3.327 19.516 ( 6.674 8.418 0.000) 10.742 19.627 ( -7.005 -0.310 -0.000) 7.012 20.222 ( 2.102 -1.327 0.000) 2.486 20.468 ( -0.699 -0.450 -0.000) 0.831 ======================= Grid point 143 (92/126) ======================= q-point: ( 0.17 -0.17 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -5.015 0.354 -0.000) 5.027 1.620 ( 4.850 -0.986 0.000) 4.950 2.964 ( 23.869 0.286 0.000) 23.871 3.319 ( -6.682 -15.066 -0.000) 16.481 3.468 ( -17.945 -15.894 -0.000) 23.971 3.645 ( -7.622 -2.358 -0.000) 7.978 3.851 ( 14.475 -0.611 0.000) 14.488 4.900 ( 12.803 -5.492 0.000) 13.931 5.018 ( 11.570 -3.818 0.000) 12.184 5.463 ( -21.774 -4.857 -0.000) 22.310 5.615 ( 8.258 8.893 0.000) 12.136 5.692 ( -3.272 -8.671 -0.000) 9.268 6.126 ( -8.894 0.844 -0.000) 8.934 6.326 ( -4.590 8.236 -0.000) 9.428 6.516 ( 2.744 5.679 0.000) 6.307 6.674 ( 15.230 9.537 0.000) 17.970 7.539 ( -9.304 -8.101 -0.000) 12.336 8.555 ( -2.271 10.441 -0.000) 10.685 8.816 ( 7.485 -8.355 0.000) 11.218 9.062 ( -6.123 -7.902 -0.000) 9.997 10.209 ( 1.804 0.474 0.000) 1.866 10.296 ( 3.728 0.978 0.000) 3.854 10.483 ( 0.219 -1.048 0.000) 1.071 10.800 ( 5.242 3.274 0.000) 6.180 10.933 ( -13.016 -2.598 -0.000) 13.272 11.706 ( 4.488 6.030 0.000) 7.517 13.369 ( -1.341 5.592 -0.000) 5.751 13.492 ( -3.951 8.756 -0.000) 9.607 15.025 ( -3.681 9.879 -0.000) 10.542 15.397 ( 13.451 -2.243 0.000) 13.636 15.843 ( 9.990 -12.144 0.000) 15.725 15.967 ( -10.788 1.808 -0.000) 10.939 17.368 ( 2.269 -0.985 0.000) 2.473 17.469 ( 11.382 -10.327 0.000) 15.369 18.074 ( -10.671 9.564 -0.000) 14.330 18.138 ( -4.965 -1.442 -0.000) 5.170 18.919 ( -6.454 -10.468 -0.000) 12.298 19.390 ( -2.268 4.615 -0.000) 5.142 19.526 ( -3.542 2.388 -0.000) 4.272 19.765 ( 6.615 0.905 0.000) 6.677 20.291 ( 4.743 0.709 0.000) 4.795 20.450 ( -1.748 1.183 -0.000) 2.111 ======================= Grid point 144 (93/126) ======================= q-point: ( 0.17 -0.17 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -7.986 0.340 -0.000) 7.993 1.674 ( 4.777 -7.497 0.000) 8.890 2.680 ( -15.617 -17.925 -0.000) 23.774 2.696 ( -25.651 -9.296 -0.000) 27.283 3.591 ( 21.546 8.213 0.000) 23.058 3.655 ( 11.647 1.589 0.000) 11.755 4.249 ( 15.060 4.148 0.000) 15.621 4.629 ( -36.788 -2.869 -0.000) 36.899 4.970 ( 3.688 -4.842 0.000) 6.086 5.239 ( 7.244 -4.417 0.000) 8.484 5.625 ( 9.541 -3.839 0.000) 10.284 5.931 ( 5.520 2.991 0.000) 6.278 5.990 ( -4.211 0.997 -0.000) 4.327 6.333 ( -8.705 4.323 -0.000) 9.719 6.562 ( -3.308 1.035 -0.000) 3.466 7.009 ( 1.843 -1.219 0.000) 2.210 7.321 ( 0.575 4.557 0.000) 4.593 8.718 ( 5.229 -12.371 0.000) 13.431 8.742 ( -8.417 -8.334 -0.000) 11.845 8.787 ( -1.173 13.753 0.000) 13.803 10.188 ( -6.098 -6.450 -0.000) 8.877 10.280 ( 4.937 -1.862 0.000) 5.277 10.597 ( 4.643 3.976 0.000) 6.113 10.706 ( -6.995 1.558 -0.000) 7.166 10.992 ( 6.618 4.804 0.000) 8.178 11.863 ( 3.186 1.442 0.000) 3.497 13.564 ( 6.551 7.129 0.000) 9.682 13.758 ( 5.386 14.139 0.000) 15.130 15.090 ( -3.873 2.509 -0.000) 4.614 15.104 ( -2.914 -22.882 -0.000) 23.067 15.942 ( 13.848 -1.434 0.000) 13.922 16.209 ( 3.194 15.842 0.000) 16.161 17.343 ( -2.539 -0.844 -0.000) 2.676 17.421 ( 6.084 -11.662 0.000) 13.154 17.983 ( -6.354 -2.715 -0.000) 6.910 18.019 ( -12.823 9.500 -0.000) 15.958 18.549 ( -9.314 -8.320 -0.000) 12.490 19.435 ( -2.241 4.275 -0.000) 4.827 19.573 ( 3.544 1.249 0.000) 3.757 19.833 ( 4.403 -4.636 0.000) 6.393 20.432 ( 5.134 2.381 0.000) 5.659 20.441 ( -2.211 1.632 -0.000) 2.747 ======================= Grid point 148 (94/126) ======================= q-point: ( 0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -1.229 -1.243 0.005) 1.748 1.531 ( 1.100 5.680 -0.204) 5.789 2.670 ( -8.748 1.981 3.655) 9.685 2.817 ( -7.854 1.008 8.016) 11.267 3.546 ( 8.212 -8.597 12.060) 16.935 3.766 ( 10.196 7.093 -0.538) 12.432 4.154 ( 8.128 -10.085 3.684) 13.467 4.628 ( -0.669 -18.829 -10.440) 21.540 4.977 ( -3.184 -8.113 8.238) 11.992 5.112 ( -4.186 7.392 -9.325) 12.614 5.518 ( -5.435 16.526 -1.068) 17.430 5.762 ( -3.557 0.253 4.574) 5.800 6.161 ( 3.870 2.439 2.727) 5.326 6.330 ( -0.799 -2.134 -10.935) 11.170 6.686 ( -0.088 1.649 2.792) 3.244 7.023 ( -2.676 -4.760 8.270) 9.911 7.225 ( 8.757 -5.276 -18.385) 21.036 8.559 ( -5.092 9.502 -4.776) 11.791 8.658 ( -7.929 3.214 9.289) 12.629 9.198 ( 11.551 0.762 3.489) 12.091 10.073 ( -4.361 -5.211 -0.754) 6.837 10.213 ( -0.910 0.957 2.077) 2.461 10.541 ( 0.458 0.377 -3.105) 3.161 10.895 ( 4.328 0.275 1.341) 4.540 11.008 ( -0.247 1.956 2.234) 2.979 11.704 ( -2.304 -3.330 -6.833) 7.943 13.424 ( 7.295 2.569 -13.493) 15.553 14.293 ( 6.641 -1.299 13.772) 15.345 14.767 ( -12.236 3.999 12.544) 17.974 14.978 ( -15.232 0.719 1.780) 15.353 15.809 ( 14.992 -8.312 -7.722) 18.801 16.461 ( 4.105 -2.229 -0.376) 4.686 16.954 ( -3.822 -8.688 -2.771) 9.888 17.340 ( 0.137 -0.637 -1.727) 1.846 17.994 ( -3.640 2.402 -1.981) 4.790 18.421 ( 2.543 7.165 -2.169) 7.906 18.731 ( 1.858 8.736 7.195) 11.469 19.517 ( -1.888 -0.474 -0.416) 1.991 19.607 ( 3.127 4.678 1.250) 5.765 19.665 ( -3.739 -2.960 0.965) 4.865 20.347 ( 1.386 -2.839 -3.564) 4.763 20.439 ( -0.591 -2.158 -0.427) 2.277 ======================= Grid point 149 (95/126) ======================= q-point: (-0.62 -0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 2.416 0.034 -1.166) 2.682 1.688 ( 0.909 5.651 0.783) 5.777 2.376 ( 0.388 -16.440 11.897) 20.297 2.850 ( 2.673 3.873 9.501) 10.603 3.535 ( 12.279 -7.698 6.737) 15.981 3.993 ( 4.225 -15.980 -4.193) 17.053 4.058 ( 8.342 -20.759 -1.653) 22.433 4.504 ( 8.796 16.725 1.018) 18.924 4.746 ( -7.938 -6.878 8.155) 13.297 5.137 ( -0.750 3.605 -15.350) 15.786 5.504 ( -5.310 1.262 0.324) 5.468 5.952 ( -1.124 4.282 -6.577) 7.928 6.143 ( -0.837 4.203 5.202) 6.740 6.383 ( 2.631 3.626 -1.487) 4.720 6.661 ( -3.803 0.839 0.722) 3.961 6.769 ( -5.723 -9.271 12.501) 16.582 7.288 ( 10.037 -8.392 -24.515) 27.788 8.590 ( -2.346 4.315 24.995) 25.473 8.795 ( -4.168 13.679 -16.820) 22.077 9.368 ( 4.865 -1.572 0.102) 5.114 9.909 ( -2.131 -2.597 -3.636) 4.950 10.273 ( 5.478 0.991 -0.276) 5.574 10.518 ( -3.334 0.433 7.202) 7.949 10.791 ( -1.251 -7.003 5.318) 8.882 11.220 ( 3.001 9.530 -3.787) 10.685 11.544 ( -5.746 -3.807 -6.552) 9.510 13.721 ( 7.459 9.100 -14.762) 18.878 14.122 ( -17.149 0.193 4.660) 17.772 14.653 ( -16.260 4.862 8.535) 18.997 14.912 ( 10.187 6.065 22.253) 25.214 15.909 ( 4.891 -7.545 -16.148) 18.483 16.368 ( 2.189 -7.883 2.135) 8.455 16.910 ( 10.781 -4.110 1.922) 11.697 17.211 ( -1.710 -10.065 2.819) 10.591 18.048 ( -0.398 6.977 -7.387) 10.169 18.450 ( -4.046 0.237 -1.535) 4.334 19.014 ( 7.550 4.060 -2.590) 8.956 19.492 ( -3.934 2.733 0.750) 4.849 19.546 ( -4.235 1.641 3.851) 5.955 19.776 ( 1.154 6.437 2.491) 6.997 20.271 ( -3.359 -3.616 -2.060) 5.348 20.380 ( 2.697 -3.519 -1.369) 4.640 ======================= Grid point 150 (96/126) ======================= q-point: (-0.62 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.053 1.515 -1.939) 2.461 1.688 ( -5.185 -2.711 4.566) 7.422 2.243 ( 15.563 -8.730 11.268) 21.104 2.964 ( 14.399 -13.674 4.872) 20.447 3.535 ( 2.305 -13.191 4.679) 14.185 3.769 ( 11.773 4.179 1.912) 12.638 4.106 ( 14.855 -10.158 -2.748) 18.204 4.288 ( -13.237 -13.792 10.583) 21.851 4.983 ( -9.810 3.319 -8.699) 13.525 5.154 ( 10.068 13.334 3.563) 17.084 5.644 ( 4.343 -1.374 -14.853) 15.536 5.757 ( -0.432 -0.893 -10.379) 10.426 6.333 ( -3.942 1.033 -1.073) 4.215 6.450 ( -5.939 -1.275 7.269) 9.473 6.552 ( 2.495 5.814 15.004) 16.283 6.631 ( -1.644 3.295 4.936) 6.158 7.261 ( 7.285 -11.620 -25.834) 29.249 8.651 ( 3.504 -0.004 27.225) 27.449 8.879 ( -9.238 8.080 -18.681) 22.352 9.364 ( -5.690 1.172 0.880) 5.876 9.884 ( 4.788 -2.226 -10.101) 11.398 10.361 ( 0.424 -3.818 -2.417) 4.539 10.531 ( 3.807 4.766 12.314) 13.742 10.662 ( -1.472 -1.884 8.747) 9.068 11.315 ( -8.539 -2.366 -7.574) 11.657 11.465 ( 3.772 6.068 -4.814) 8.616 13.743 ( -17.910 0.702 0.632) 17.935 13.986 ( -2.611 9.288 -1.183) 9.720 14.645 ( -1.626 13.420 1.597) 13.612 15.285 ( 10.850 6.052 19.504) 23.125 15.646 ( -6.720 -11.106 -13.612) 18.809 16.346 ( 4.942 -6.251 6.585) 10.337 16.937 ( 4.456 -13.451 -0.891) 14.198 17.106 ( 11.236 -2.297 1.715) 11.596 18.185 ( -1.911 4.668 -8.809) 10.151 18.362 ( -2.863 1.669 -1.302) 3.560 19.083 ( 1.125 -6.125 -6.756) 9.188 19.473 ( -2.563 4.385 8.854) 10.208 19.587 ( -2.852 6.110 -3.314) 7.513 19.864 ( -5.327 3.685 4.148) 7.692 20.150 ( 0.930 -1.995 -0.467) 2.250 20.389 ( 3.274 -2.095 -2.174) 4.454 ======================= Grid point 151 (97/126) ======================= q-point: (-0.62 -0.18 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -0.093 -3.646 0.201) 3.653 1.582 ( -2.492 2.083 -0.379) 3.270 2.495 ( 17.000 -3.873 -3.195) 17.726 2.973 ( 15.590 -10.122 14.813) 23.769 3.537 ( -3.178 -3.710 6.467) 8.105 3.734 ( -0.027 -9.885 15.048) 18.005 4.035 ( -9.130 8.986 4.662) 13.632 4.243 ( 18.758 -4.004 -16.648) 25.398 4.864 ( 3.159 -1.158 3.560) 4.898 5.379 ( -3.926 -9.716 -7.958) 13.158 5.629 ( 8.960 5.268 1.395) 10.487 6.015 ( -13.031 -0.862 -5.937) 14.346 6.035 ( -0.677 6.835 -3.848) 7.873 6.338 ( -0.654 -3.430 0.128) 3.494 6.679 ( -1.723 3.752 3.353) 5.319 6.831 ( 8.177 5.525 11.715) 15.318 7.153 ( 3.754 -7.935 -21.350) 23.085 8.737 ( 4.645 -0.832 18.907) 19.488 8.790 ( -9.549 2.088 -11.024) 14.733 9.185 ( -10.533 1.161 0.931) 10.638 9.989 ( 7.712 -1.572 -9.915) 12.659 10.271 ( -1.032 -2.894 1.263) 3.322 10.597 ( -2.625 -0.543 9.891) 10.248 10.736 ( 5.847 2.894 4.189) 7.753 11.119 ( -8.472 1.368 -5.091) 9.978 11.633 ( 3.874 1.976 -6.143) 7.526 13.462 ( -11.921 3.536 -6.738) 14.143 14.106 ( -4.654 11.899 14.431) 19.274 14.949 ( 2.776 5.528 -1.544) 6.376 15.289 ( -2.177 -12.465 -7.217) 14.567 15.497 ( 4.674 -0.343 9.963) 11.010 16.314 ( -0.770 4.252 6.976) 8.206 16.882 ( 12.856 -10.881 -5.516) 17.723 17.272 ( 7.050 -1.067 0.691) 7.164 18.114 ( -3.695 -2.155 -6.553) 7.825 18.430 ( -3.160 6.508 -2.247) 7.575 18.910 ( -4.766 -4.805 1.227) 6.878 19.527 ( -1.519 3.593 1.905) 4.342 19.610 ( -2.551 1.228 -2.076) 3.511 19.754 ( -4.839 -0.685 3.326) 5.912 20.226 ( 3.762 2.166 -0.398) 4.359 20.417 ( 2.641 -1.417 -1.760) 3.475 ======================= Grid point 157 (98/126) ======================= q-point: (-0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -0.882 -0.239 -4.129) 4.229 1.653 ( 7.801 -1.687 -3.764) 8.825 2.130 ( -0.177 -7.208 1.379) 7.341 2.610 ( -2.630 -33.658 0.763) 33.769 3.706 ( -1.593 -0.663 5.042) 5.329 3.830 ( 5.589 -7.748 21.293) 23.338 4.001 ( -11.029 10.829 17.264) 23.172 4.537 ( 1.012 6.765 -29.687) 30.465 4.629 ( 13.974 -3.562 5.178) 15.322 5.096 ( -11.828 -3.150 4.746) 13.128 5.451 ( 1.275 -8.737 -3.072) 9.349 5.821 ( -8.709 2.661 -11.836) 14.934 5.988 ( 10.577 -4.671 -5.258) 12.702 6.545 ( -0.029 -0.433 -9.417) 9.427 6.717 ( -1.377 -1.576 0.852) 2.260 6.800 ( 3.123 8.509 13.861) 16.562 7.086 ( -3.728 -2.281 16.018) 16.604 8.486 ( 2.693 3.477 -28.672) 29.007 9.163 ( -0.796 -4.716 18.580) 19.186 9.323 ( -2.994 7.492 -7.027) 10.699 9.555 ( 3.392 -6.829 -14.333) 16.235 10.252 ( -0.961 -1.222 2.420) 2.876 10.841 ( -0.746 3.940 10.791) 11.512 10.957 ( -1.757 5.859 6.127) 8.657 11.182 ( 4.159 3.584 -4.154) 6.884 11.438 ( -1.656 -4.121 -0.201) 4.446 13.737 ( 0.615 17.902 -1.551) 17.979 14.466 ( 0.491 0.639 3.177) 3.278 14.906 ( -0.775 -6.116 -2.210) 6.549 15.419 ( -4.366 -0.474 13.192) 13.903 15.592 ( 5.955 12.651 3.242) 14.353 16.277 ( -10.404 -3.019 -0.372) 10.840 16.631 ( 10.784 -8.510 6.839) 15.346 17.071 ( -2.027 -13.492 3.488) 14.082 17.981 ( -0.601 5.933 -11.507) 12.961 18.370 ( -0.308 -2.759 -7.851) 8.327 18.711 ( 0.708 -6.945 -12.136) 14.000 19.618 ( -1.426 5.069 -4.044) 6.640 19.827 ( 0.754 5.607 7.262) 9.206 19.989 ( 3.042 8.354 4.327) 9.888 20.181 ( -1.057 -3.158 -2.114) 3.944 20.267 ( -1.398 -4.889 3.119) 5.966 ======================= Grid point 158 (99/126) ======================= q-point: (-0.41 -0.19 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.028 0.636 -4.560) 6.118 1.659 ( 2.612 -22.165 -4.551) 22.778 1.941 ( 6.950 4.334 2.910) 8.692 2.244 ( 15.945 -15.563 -0.872) 22.298 3.649 ( 2.251 -2.865 26.556) 26.805 3.731 ( 3.445 -4.373 17.564) 18.425 4.235 ( 1.623 13.956 7.224) 15.798 4.506 ( -8.509 -3.373 -13.772) 16.536 4.680 ( -9.560 -2.581 -18.371) 20.870 5.118 ( 14.797 4.870 3.067) 15.877 5.285 ( 3.770 -11.869 -0.305) 12.457 5.737 ( -3.702 7.138 -4.550) 9.239 6.025 ( 3.430 -8.149 -9.755) 13.166 6.536 ( -0.730 0.678 -8.991) 9.046 6.685 ( 0.941 -0.174 -2.082) 2.291 6.953 ( -6.978 -0.186 16.491) 17.908 7.033 ( 3.436 4.518 19.316) 20.133 8.516 ( -2.142 -0.001 -34.275) 34.342 9.092 ( 4.129 -3.244 19.281) 19.983 9.372 ( -2.150 5.024 -13.801) 14.844 9.538 ( 1.427 -4.672 -11.283) 12.295 10.232 ( 1.554 -0.914 3.122) 3.606 10.884 ( -2.590 2.806 15.314) 15.783 11.036 ( -3.616 6.329 9.108) 11.665 11.227 ( -4.445 -1.235 -9.930) 10.950 11.372 ( 3.866 -1.079 2.092) 4.526 14.092 ( -8.389 7.887 -1.847) 11.662 14.233 ( -9.149 8.977 2.030) 12.977 14.971 ( 12.654 -12.738 -1.521) 18.019 15.309 ( -4.308 7.000 11.592) 14.211 15.801 ( -14.242 6.588 1.830) 15.798 16.220 ( 11.214 4.818 8.057) 14.625 16.648 ( -3.083 -18.746 4.355) 19.491 16.817 ( 15.579 -4.137 3.943) 16.594 18.095 ( -4.435 4.415 -13.065) 14.486 18.291 ( 0.427 0.260 -8.489) 8.504 18.636 ( 6.547 -7.165 -13.436) 16.575 19.676 ( -3.767 4.896 -5.575) 8.321 19.914 ( -3.597 3.387 9.511) 10.718 20.043 ( -2.343 -2.439 -1.563) 3.726 20.161 ( -1.616 4.492 2.158) 5.239 20.210 ( 4.461 -3.432 4.360) 7.120 ======================= Grid point 166 (100/126) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 0.000 -19.494) 19.494 1.006 ( 0.000 0.000 -19.494) 19.494 1.797 ( 0.000 0.000 -8.580) 8.580 2.246 ( -0.000 -0.000 8.640) 8.640 3.280 ( 0.000 0.000 -57.557) 57.557 4.230 ( -0.000 -0.000 27.704) 27.704 4.230 ( -0.000 -0.000 27.704) 27.704 4.921 ( -0.000 -0.000 9.220) 9.220 4.933 ( -0.000 -0.000 13.068) 13.068 4.985 ( -0.000 -0.000 0.833) 0.833 4.985 ( -0.000 -0.000 0.833) 0.833 5.830 ( -0.000 -0.000 1.868) 1.868 5.830 ( -0.000 -0.000 1.868) 1.868 6.390 ( 0.000 0.000 -6.564) 6.564 6.601 ( 0.000 0.000 -2.285) 2.285 7.458 ( -0.000 -0.000 17.470) 17.470 7.458 ( -0.000 -0.000 17.470) 17.470 7.650 ( 0.000 0.000 -39.166) 39.166 9.124 ( 0.000 0.000 -17.335) 17.335 9.124 ( 0.000 0.000 -17.335) 17.335 9.217 ( -0.000 -0.000 3.310) 3.310 10.375 ( -0.000 -0.000 9.342) 9.342 11.035 ( 0.000 0.000 -9.315) 9.315 11.035 ( 0.000 0.000 -9.315) 9.315 11.388 ( -0.000 -0.000 19.220) 19.220 11.608 ( -0.000 -0.000 16.996) 16.996 14.418 ( 0.000 0.000 -2.644) 2.644 14.513 ( -0.000 -0.000 1.357) 1.357 14.513 ( -0.000 -0.000 1.357) 1.357 15.400 ( 0.000 0.000 -2.287) 2.287 16.411 ( -0.000 -0.000 8.006) 8.006 16.451 ( -0.000 -0.000 0.677) 0.677 16.530 ( -0.000 -0.000 13.601) 13.601 16.530 ( -0.000 -0.000 13.601) 13.601 18.000 ( 0.000 0.000 -17.777) 17.777 18.053 ( 0.000 0.000 -12.525) 12.525 18.053 ( 0.000 0.000 -12.525) 12.525 19.646 ( 0.000 0.000 -6.879) 6.879 19.944 ( 0.000 0.000 -2.391) 2.391 19.944 ( 0.000 0.000 -2.391) 2.391 20.330 ( -0.000 -0.000 3.017) 3.017 20.439 ( -0.000 -0.000 13.887) 13.887 ======================= Grid point 170 (101/126) ======================= q-point: (-0.20 -0.20 0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 2.195 2.536 -0.909) 3.475 1.604 ( -3.345 -3.366 1.075) 4.866 3.524 ( 15.331 0.460 -15.251) 21.630 3.600 ( 10.900 6.000 -6.860) 14.208 3.778 ( -5.659 9.844 3.248) 11.810 3.970 ( -6.252 1.023 2.798) 6.926 4.118 ( -0.638 1.123 2.961) 3.230 4.452 ( -9.030 -11.976 10.721) 18.437 5.374 ( 12.608 5.831 1.835) 14.012 5.461 ( 1.302 2.418 4.223) 5.037 5.631 ( 5.712 3.279 -3.245) 7.342 5.731 ( -2.307 0.737 2.378) 3.394 5.813 ( -7.199 -0.705 -4.034) 8.283 5.963 ( -6.341 -9.573 5.212) 12.610 6.581 ( 9.325 7.531 -13.010) 17.690 6.939 ( -7.720 -7.363 -4.060) 11.414 7.603 ( 1.562 9.346 6.842) 11.688 7.819 ( -2.132 -8.700 4.472) 10.012 9.137 ( 12.165 6.384 -2.215) 13.916 9.523 ( -11.332 -5.738 0.790) 12.727 10.171 ( 5.890 4.131 -4.628) 8.554 10.278 ( -2.028 -0.480 1.930) 2.841 10.487 ( 0.598 0.393 1.022) 1.248 10.657 ( -5.403 -5.214 0.032) 7.508 11.019 ( 6.473 8.241 -0.606) 10.497 11.306 ( -4.956 -7.003 4.870) 9.865 13.523 ( -0.838 6.706 -12.220) 13.965 13.694 ( -2.224 -5.483 -5.510) 8.085 14.249 ( 6.663 -5.784 6.739) 11.103 14.485 ( -13.512 -5.330 18.378) 23.425 16.506 ( 10.012 7.621 -9.011) 15.476 16.786 ( -6.259 -2.438 -5.765) 8.852 17.566 ( 4.197 1.503 2.068) 4.914 17.642 ( -2.171 0.207 -3.765) 4.351 17.723 ( 7.608 6.019 4.807) 10.826 17.984 ( -5.626 -4.779 0.554) 7.402 19.210 ( 0.339 2.411 -0.393) 2.466 19.265 ( -1.428 -2.513 0.529) 2.939 19.416 ( 6.268 5.022 -1.901) 8.254 19.689 ( -6.081 -5.967 1.628) 8.674 20.284 ( 2.752 0.792 0.766) 2.965 20.361 ( -2.823 -0.819 0.792) 3.044 ======================= Grid point 184 (102/126) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.689 8.991 0.000) 9.018 1.487 ( -7.228 3.558 -0.000) 8.056 2.396 ( -8.969 9.655 -0.000) 13.178 2.518 ( -7.281 20.118 -0.000) 21.395 3.746 ( 6.182 -7.580 0.000) 9.781 3.815 ( 13.204 -18.732 0.000) 22.918 4.389 ( 9.615 -13.228 0.000) 16.353 4.636 ( 3.167 36.458 0.000) 36.595 4.888 ( -3.307 -2.782 -0.000) 4.322 5.110 ( -8.341 -7.461 -0.000) 11.191 5.562 ( -1.883 -11.444 -0.000) 11.598 5.802 ( -10.094 -7.053 -0.000) 12.314 6.085 ( 3.581 3.468 0.000) 4.985 6.393 ( 1.688 9.850 0.000) 9.994 6.579 ( 0.350 3.428 0.000) 3.446 6.992 ( 0.255 -0.446 0.000) 0.514 7.496 ( 10.948 -1.669 0.000) 11.075 8.429 ( -13.581 -5.769 -0.000) 14.755 8.558 ( -9.002 9.419 -0.000) 13.028 9.100 ( 14.429 3.409 0.000) 14.826 10.113 ( -0.410 5.912 0.000) 5.926 10.194 ( -5.927 -6.441 -0.000) 8.753 10.658 ( 1.577 -5.242 0.000) 5.474 10.738 ( 1.507 8.160 0.000) 8.298 11.085 ( 3.624 -8.280 0.000) 9.039 11.853 ( -2.314 -2.951 -0.000) 3.750 13.715 ( 7.020 -5.162 0.000) 8.714 14.078 ( 15.975 -6.285 0.000) 17.167 14.619 ( -22.906 1.718 -0.000) 22.970 14.957 ( -13.564 -0.650 -0.000) 13.579 16.096 ( 14.288 -10.222 0.000) 17.568 16.484 ( 9.661 -1.378 0.000) 9.759 17.186 ( -9.948 -6.153 -0.000) 11.697 17.341 ( 0.616 2.588 0.000) 2.661 17.905 ( -4.640 6.626 -0.000) 8.089 18.214 ( 8.021 12.767 0.000) 15.078 18.425 ( -2.463 9.567 -0.000) 9.879 19.507 ( 1.571 3.069 0.000) 3.448 19.566 ( -1.757 -4.505 -0.000) 4.836 19.748 ( -2.174 -3.912 -0.000) 4.475 20.443 ( -1.500 0.731 -0.000) 1.669 20.488 ( 2.668 -4.380 0.000) 5.128 ======================= Grid point 185 (103/126) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 4.435 -0.599 0.000) 4.476 1.549 ( 0.118 7.434 0.000) 7.435 2.482 ( -5.785 -6.614 -0.000) 8.788 2.524 ( -0.229 13.008 0.000) 13.010 3.761 ( 19.051 -18.136 0.000) 26.303 4.062 ( 12.065 15.904 0.000) 19.963 4.370 ( 15.807 -14.877 0.000) 21.706 4.642 ( -9.443 -18.700 -0.000) 20.949 4.760 ( -3.910 -3.890 -0.000) 5.516 5.376 ( 1.931 22.124 0.000) 22.208 5.413 ( 5.099 -2.583 0.000) 5.715 5.429 ( -12.984 0.959 -0.000) 13.019 6.210 ( 0.487 4.939 0.000) 4.963 6.475 ( -2.950 -0.523 -0.000) 2.995 6.631 ( -2.856 1.917 -0.000) 3.439 6.799 ( -4.492 -13.054 -0.000) 13.806 7.786 ( 14.484 1.464 0.000) 14.558 8.126 ( -8.514 -0.054 -0.000) 8.515 8.662 ( -5.318 14.798 -0.000) 15.724 9.414 ( 11.812 -2.144 0.000) 12.005 9.944 ( -7.754 -0.354 -0.000) 7.762 10.189 ( 3.010 -0.305 0.000) 3.026 10.563 ( -0.425 -4.771 -0.000) 4.790 10.931 ( -0.754 -9.554 -0.000) 9.583 11.017 ( 2.395 13.187 0.000) 13.403 11.704 ( -5.306 -3.717 -0.000) 6.478 13.859 ( 5.594 4.515 0.000) 7.189 14.052 ( -15.028 -2.761 -0.000) 15.279 14.443 ( 8.475 1.982 0.000) 8.703 14.589 ( -15.246 -0.655 -0.000) 15.260 16.271 ( 16.822 -7.358 0.000) 18.360 16.478 ( -7.321 -5.474 -0.000) 9.141 16.983 ( 5.770 -4.770 0.000) 7.486 17.330 ( -0.320 -4.533 -0.000) 4.544 17.969 ( -2.597 7.952 -0.000) 8.365 18.403 ( -3.678 4.716 -0.000) 5.980 18.800 ( 10.875 12.512 0.000) 16.577 19.462 ( -3.485 0.745 -0.000) 3.563 19.518 ( -6.082 0.550 -0.000) 6.107 19.697 ( 3.745 -1.807 0.000) 4.159 20.361 ( -4.447 -2.080 -0.000) 4.909 20.464 ( 2.559 -3.236 0.000) 4.126 ======================= Grid point 186 (104/126) ======================= q-point: (-0.78 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.659 -1.022 0.000) 1.949 1.632 ( -3.853 2.904 -0.000) 4.825 2.274 ( 9.485 -11.038 0.000) 14.554 2.906 ( 12.353 9.209 0.000) 15.408 3.843 ( 19.382 -13.553 0.000) 23.650 3.992 ( -6.699 -24.881 -0.000) 25.767 4.364 ( -5.628 -5.208 -0.000) 7.668 4.504 ( 14.288 -18.093 0.000) 23.054 4.742 ( 12.716 18.732 0.000) 22.640 5.039 ( -17.847 -0.163 -0.000) 17.848 5.729 ( 15.368 9.402 0.000) 18.016 5.905 ( 3.503 14.593 0.000) 15.007 6.265 ( -1.574 -6.412 -0.000) 6.603 6.289 ( -7.371 -6.537 -0.000) 9.852 6.419 ( -5.787 -0.818 -0.000) 5.845 6.525 ( -8.723 1.242 -0.000) 8.811 7.987 ( -5.733 -2.600 -0.000) 6.296 8.113 ( 16.090 -1.124 0.000) 16.129 8.852 ( -7.510 13.672 -0.000) 15.598 9.393 ( -1.030 -7.449 -0.000) 7.520 10.002 ( 1.985 8.758 0.000) 8.980 10.225 ( 1.851 -2.542 0.000) 3.144 10.507 ( 3.451 -0.869 0.000) 3.559 10.687 ( -2.773 -9.016 -0.000) 9.433 11.340 ( 3.733 11.048 0.000) 11.661 11.476 ( -8.376 -4.403 -0.000) 9.463 13.687 ( -16.342 1.831 -0.000) 16.445 13.867 ( -14.089 3.106 -0.000) 14.427 14.618 ( 9.719 10.412 0.000) 14.244 14.726 ( 10.125 4.426 0.000) 11.050 16.095 ( -8.853 -11.018 -0.000) 14.134 16.373 ( 5.021 -7.322 0.000) 8.878 17.116 ( 9.800 -1.429 0.000) 9.903 17.203 ( 5.652 -10.053 0.000) 11.533 18.115 ( -1.931 9.561 -0.000) 9.754 18.360 ( -4.719 0.131 -0.000) 4.721 19.227 ( 8.770 6.756 0.000) 11.070 19.326 ( -6.002 -5.901 -0.000) 8.417 19.482 ( -2.085 7.301 -0.000) 7.593 19.733 ( -2.738 2.243 -0.000) 3.539 20.220 ( -2.110 -3.047 -0.000) 3.707 20.456 ( 1.827 -1.938 0.000) 2.664 ======================= Grid point 188 (105/126) ======================= q-point: ( 0.22 0.78 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -2.333 0.717 -0.000) 2.440 1.568 ( -0.097 -1.995 -0.000) 1.997 2.490 ( 21.187 -0.950 0.000) 21.208 3.201 ( 12.158 -16.451 0.000) 20.456 3.581 ( 7.178 -2.755 0.000) 7.688 3.833 ( -17.130 -15.098 -0.000) 22.834 3.885 ( -1.209 -4.748 -0.000) 4.900 4.657 ( 21.837 -9.655 0.000) 23.876 4.758 ( -4.683 -0.108 -0.000) 4.684 5.373 ( 11.475 15.197 0.000) 19.043 5.792 ( -5.574 -12.048 -0.000) 13.275 5.903 ( -15.966 -6.018 -0.000) 17.063 6.239 ( 5.189 3.863 0.000) 6.469 6.333 ( 4.563 6.813 0.000) 8.200 6.420 ( 1.619 7.181 0.000) 7.361 6.495 ( -2.014 8.177 -0.000) 8.421 7.722 ( -7.468 -8.434 -0.000) 11.265 8.392 ( 14.457 -2.913 0.000) 14.747 8.885 ( -10.518 8.290 -0.000) 13.393 9.184 ( -6.179 -5.279 -0.000) 8.127 10.183 ( 0.832 -2.071 0.000) 2.232 10.220 ( 3.303 4.657 0.000) 5.710 10.495 ( -0.894 -4.748 -0.000) 4.831 10.664 ( 7.637 2.158 0.000) 7.936 11.190 ( -11.388 -2.427 -0.000) 11.644 11.613 ( 4.286 6.744 0.000) 7.990 13.488 ( -9.842 5.612 -0.000) 11.330 13.660 ( -11.631 6.400 -0.000) 13.276 15.035 ( 3.800 11.046 0.000) 11.682 15.105 ( 13.934 5.436 0.000) 14.957 15.724 ( 0.254 -14.935 -0.000) 14.938 16.174 ( -8.010 -4.026 -0.000) 8.965 17.200 ( 13.640 -10.992 0.000) 17.518 17.274 ( 6.825 -0.649 0.000) 6.855 18.238 ( -4.843 -1.739 -0.000) 5.146 18.249 ( -5.706 10.092 -0.000) 11.594 19.043 ( -6.069 -8.827 -0.000) 10.712 19.420 ( 0.495 4.521 0.000) 4.548 19.648 ( 3.647 4.118 0.000) 5.501 19.650 ( -7.595 1.411 -0.000) 7.725 20.204 ( 3.468 0.023 0.000) 3.468 20.459 ( 0.888 -0.540 0.000) 1.039 ======================= Grid point 190 (106/126) ======================= q-point: ( 0.22 -0.22 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -5.887 1.552 -0.000) 6.088 1.570 ( 4.366 -3.600 0.000) 5.659 2.909 ( 4.607 -10.069 0.000) 11.073 2.985 ( 2.116 -15.867 -0.000) 16.007 3.239 ( 0.959 -0.178 0.000) 0.975 3.618 ( -9.216 2.421 -0.000) 9.528 3.943 ( 12.201 7.046 0.000) 14.089 4.832 ( 7.976 -1.365 0.000) 8.092 4.929 ( 16.485 -4.656 0.000) 17.130 5.354 ( -26.192 -3.593 -0.000) 26.437 5.517 ( 1.064 -7.742 -0.000) 7.814 5.783 ( 7.589 3.047 0.000) 8.177 6.126 ( -7.417 0.573 -0.000) 7.439 6.465 ( -3.217 4.610 -0.000) 5.621 6.599 ( -0.667 2.795 -0.000) 2.874 6.831 ( 12.305 4.839 0.000) 13.222 7.431 ( -7.550 -0.952 -0.000) 7.610 8.549 ( 10.050 -9.954 0.000) 14.145 8.870 ( -6.667 12.502 -0.000) 14.169 8.909 ( -8.233 -6.723 -0.000) 10.629 10.191 ( 3.478 -2.582 0.000) 4.332 10.246 ( -0.848 -4.389 -0.000) 4.470 10.506 ( 3.808 2.453 0.000) 4.530 10.861 ( 6.693 2.738 0.000) 7.231 10.929 ( -12.478 1.492 -0.000) 12.567 11.789 ( 3.810 1.936 0.000) 4.274 13.511 ( -1.746 7.897 -0.000) 8.087 13.716 ( -1.639 12.491 0.000) 12.598 15.115 ( 1.917 -20.318 -0.000) 20.408 15.195 ( -6.156 0.350 -0.000) 6.166 15.648 ( 14.189 -0.673 0.000) 14.205 16.184 ( -0.844 14.459 0.000) 14.483 17.237 ( 11.406 -11.578 0.000) 16.253 17.355 ( 1.797 -0.426 0.000) 1.847 18.094 ( -4.773 -2.710 -0.000) 5.489 18.280 ( -11.197 9.887 -0.000) 14.937 18.722 ( -7.474 -7.979 -0.000) 10.932 19.492 ( -2.749 5.005 -0.000) 5.710 19.553 ( -2.013 -0.044 -0.000) 2.013 19.739 ( 4.237 -3.058 0.000) 5.225 20.328 ( 4.786 2.748 0.000) 5.519 20.464 ( 0.034 -0.114 0.000) 0.119 ======================= Grid point 195 (107/126) ======================= q-point: (-0.57 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.234 -0.252 -0.663) 0.747 1.641 ( 3.057 4.007 -0.379) 5.054 2.421 ( -3.466 -16.486 -0.106) 16.847 2.846 ( -2.359 -10.951 14.710) 18.490 3.439 ( -2.943 7.103 11.739) 14.033 3.731 ( 9.261 -13.880 9.487) 19.194 4.115 ( -3.628 -13.690 -13.068) 19.270 4.296 ( 10.258 4.066 3.230) 11.497 4.851 ( -1.437 -2.043 3.959) 4.681 5.192 ( -6.789 2.662 -11.078) 13.262 5.630 ( -4.139 -4.322 -0.535) 6.008 5.968 ( -1.079 14.258 2.006) 14.439 6.225 ( -5.563 1.160 1.736) 5.942 6.254 ( 8.912 -0.832 -9.258) 12.877 6.711 ( -0.658 0.799 0.832) 1.328 6.870 ( -3.019 -8.132 14.346) 16.765 7.110 ( 5.186 -6.552 -25.161) 26.512 8.663 ( -4.245 -0.924 27.654) 27.993 8.834 ( 0.509 12.984 -19.053) 23.062 9.257 ( 5.068 5.948 -0.189) 7.817 9.957 ( -1.816 -5.766 -7.633) 9.737 10.223 ( -0.691 0.479 0.770) 1.140 10.572 ( -1.880 1.964 8.186) 8.626 10.787 ( 1.565 -6.987 6.375) 9.587 11.162 ( 2.524 8.730 -4.289) 10.049 11.630 ( -2.248 -3.703 -6.564) 7.864 13.568 ( 6.537 10.859 -12.057) 17.494 14.305 ( 3.482 2.181 11.701) 12.402 14.853 ( -7.466 3.930 14.183) 16.503 14.997 ( -15.472 0.822 3.213) 15.824 15.667 ( 14.044 -4.504 -5.698) 15.811 16.408 ( 0.046 -3.034 -2.087) 3.683 16.744 ( 1.342 -10.974 0.146) 11.057 17.247 ( -1.454 -8.291 1.577) 8.564 18.070 ( -1.760 5.188 -7.122) 8.985 18.504 ( -0.116 1.056 -2.799) 2.993 18.889 ( 3.280 5.556 0.403) 6.464 19.554 ( -1.405 2.274 0.364) 2.698 19.607 ( -1.366 0.985 2.202) 2.772 19.750 ( 0.707 7.076 2.968) 7.706 20.281 ( 2.613 -3.322 -2.311) 4.817 20.375 ( -2.308 -3.954 -0.909) 4.667 ======================= Grid point 196 (108/126) ======================= q-point: (-0.57 -0.23 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 2.517 1.319 -0.576) 2.900 1.787 ( -0.284 3.673 1.656) 4.039 1.997 ( 3.890 -18.745 11.891) 22.537 2.649 ( 14.734 -20.003 6.140) 25.591 3.511 ( -0.534 -14.708 5.432) 15.688 3.633 ( 4.322 -3.956 1.099) 5.961 3.755 ( 11.682 -1.668 9.819) 15.351 4.571 ( -10.319 -9.639 7.635) 16.052 4.860 ( 11.382 13.954 1.261) 18.051 5.226 ( -5.959 3.768 -17.277) 18.660 5.529 ( 3.852 1.570 -6.410) 7.641 5.869 ( -8.938 -4.998 -12.839) 16.423 6.333 ( 1.752 7.229 2.798) 7.947 6.474 ( 4.603 5.051 5.429) 8.728 6.600 ( -6.157 -4.782 13.612) 15.686 6.692 ( -3.292 0.923 0.621) 3.475 7.088 ( 8.350 -10.406 -25.476) 28.758 8.592 ( 1.925 -3.574 32.315) 32.570 9.050 ( -6.024 10.217 -22.514) 25.448 9.430 ( -0.829 7.054 -3.881) 8.094 9.843 ( -0.316 -3.774 -9.338) 10.077 10.274 ( 5.173 -1.257 -3.595) 6.423 10.537 ( -2.585 0.936 14.572) 14.829 10.687 ( -0.575 -2.262 12.535) 12.750 11.386 ( 3.235 6.217 -6.002) 9.227 11.470 ( -5.596 -3.108 -6.719) 9.280 13.954 ( 4.331 12.740 -10.408) 17.011 14.133 ( -17.933 0.755 2.074) 18.068 14.789 ( -9.897 7.921 9.545) 15.869 15.026 ( 10.973 3.051 19.544) 22.621 15.793 ( -2.250 -2.370 -13.486) 13.876 16.191 ( 4.309 -8.151 4.099) 10.090 16.828 ( 13.462 -3.976 1.391) 14.106 16.945 ( -2.016 -14.812 2.745) 15.198 18.203 ( -0.020 7.506 -8.971) 11.696 18.432 ( -3.714 -1.409 -2.680) 4.792 19.014 ( 4.583 -3.376 -9.884) 11.406 19.541 ( -3.209 3.070 12.945) 13.685 19.656 ( -3.388 6.823 -3.356) 8.325 19.924 ( -0.188 7.114 4.251) 8.289 20.182 ( -3.680 -4.782 -1.822) 6.303 20.309 ( 4.193 -3.310 -1.956) 5.689 ======================= Grid point 197 (109/126) ======================= q-point: (-0.57 -0.23 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -3.348 -6.914 2.820) 8.183 1.595 ( 1.173 2.374 -0.314) 2.666 2.155 ( 15.580 -0.572 2.381) 15.771 2.590 ( 19.963 -16.927 10.628) 28.249 3.367 ( 10.444 -3.087 11.396) 15.763 3.809 ( 19.983 -8.997 -0.975) 21.936 3.996 ( -13.293 -9.380 7.183) 17.785 4.093 ( -0.540 10.947 6.926) 12.966 5.005 ( -12.548 -0.679 -6.472) 14.135 5.366 ( 11.708 3.857 -0.123) 12.327 5.468 ( -1.384 -7.501 -10.473) 12.957 5.942 ( 4.825 12.586 -14.260) 19.622 6.281 ( -8.240 -3.881 -3.185) 9.649 6.412 ( -5.843 -2.736 6.712) 9.310 6.688 ( 4.623 4.847 12.848) 14.490 6.705 ( -0.103 3.374 3.814) 5.094 7.029 ( 7.281 -9.211 -24.418) 27.094 8.612 ( 6.218 -2.528 31.435) 32.144 9.022 ( -11.136 5.592 -22.298) 25.544 9.418 ( -10.937 2.498 -0.793) 11.246 9.841 ( 6.045 -1.266 -14.087) 15.381 10.282 ( 0.781 -3.569 -0.652) 3.711 10.606 ( 5.046 1.458 9.359) 10.732 10.648 ( -2.002 0.763 16.592) 16.730 11.292 ( -7.545 0.298 -7.349) 10.536 11.552 ( 3.822 2.128 -6.169) 7.563 13.776 ( -17.476 2.603 -4.715) 18.287 14.203 ( -3.540 10.885 5.298) 12.613 14.915 ( -0.435 10.280 6.910) 12.394 15.188 ( 10.046 -13.080 3.337) 16.827 15.561 ( -9.316 1.250 1.361) 9.498 16.311 ( 3.683 4.379 3.899) 6.924 16.633 ( 8.347 -14.988 -2.127) 17.287 17.062 ( 12.723 -2.213 1.644) 13.018 18.216 ( -5.739 -0.555 -8.497) 10.269 18.444 ( 1.006 4.613 -3.467) 5.858 18.964 ( 0.058 -4.412 -7.311) 8.539 19.555 ( -1.993 2.950 11.058) 11.617 19.692 ( -4.761 3.500 -4.268) 7.289 19.897 ( -7.903 -0.109 3.272) 8.555 20.150 ( 3.436 2.009 0.370) 3.997 20.342 ( 4.416 -2.590 -2.351) 5.634 ======================= Grid point 204 (110/126) ======================= q-point: (-0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 1.392 -4.564 -7.906) 9.234 1.556 ( 2.242 -11.263 -5.550) 12.755 1.981 ( -5.155 -17.148 -1.189) 17.946 2.067 ( 2.662 -2.156 5.998) 6.908 3.635 ( 0.458 -3.640 25.403) 25.666 3.667 ( -0.000 -6.565 27.189) 27.970 4.291 ( -5.379 12.082 -2.835) 13.526 4.572 ( 3.067 3.927 -11.386) 12.429 4.738 ( 9.213 7.042 -18.196) 21.577 5.014 ( -11.326 -4.104 2.187) 12.243 5.209 ( 3.559 -13.767 -0.245) 14.222 5.855 ( -7.396 0.729 -6.462) 9.849 5.901 ( 7.730 -3.433 -6.025) 10.384 6.547 ( 0.062 0.535 -8.953) 8.970 6.677 ( -0.268 -1.485 -2.329) 2.775 6.976 ( 2.060 6.845 18.699) 20.019 7.057 ( -2.289 -0.668 19.107) 19.255 8.524 ( 0.674 0.387 -37.795) 37.803 9.049 ( -0.351 -4.778 19.018) 19.612 9.438 ( -2.967 3.273 -11.737) 12.541 9.480 ( 3.116 -1.351 -14.949) 15.330 10.220 ( -0.176 -1.367 4.350) 4.563 10.915 ( -0.034 3.462 17.510) 17.849 11.096 ( -1.429 6.356 9.347) 11.393 11.238 ( 2.948 1.729 -8.398) 9.067 11.343 ( -1.498 -4.933 -0.162) 5.158 14.125 ( 0.015 18.568 -0.885) 18.590 14.474 ( 0.462 0.141 2.509) 2.555 14.740 ( -0.296 -9.932 -1.991) 10.134 15.383 ( -1.046 -2.396 9.117) 9.484 15.913 ( 5.829 17.459 6.507) 19.523 16.246 ( -16.073 0.047 5.193) 16.891 16.472 ( 14.928 -6.529 4.689) 16.954 16.735 ( -3.806 -17.893 4.047) 18.736 18.138 ( 0.130 8.542 -12.666) 15.278 18.312 ( -0.455 -2.295 -8.810) 9.115 18.544 ( 0.318 -8.731 -14.708) 17.107 19.729 ( -0.464 5.147 -6.061) 7.965 19.936 ( 0.273 4.718 4.580) 6.581 20.057 ( 1.588 -3.033 0.654) 3.486 20.146 ( -0.971 -2.384 6.265) 6.774 20.209 ( -0.436 2.553 3.518) 4.369 ======================= Grid point 231 (111/126) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -2.353 -1.195 -0.000) 2.639 1.531 ( 1.394 6.973 0.000) 7.111 2.648 ( -10.878 11.626 -0.000) 15.921 2.683 ( -12.705 -5.241 -0.000) 13.744 3.413 ( 13.746 -17.008 0.000) 21.869 3.780 ( 12.553 7.673 0.000) 14.713 4.113 ( 9.449 -10.009 0.000) 13.765 4.811 ( -6.846 -20.012 -0.000) 21.151 4.816 ( -1.105 -3.608 -0.000) 3.773 5.327 ( 0.890 27.603 0.000) 27.618 5.394 ( -3.214 -4.320 -0.000) 5.385 5.697 ( -9.971 -3.392 -0.000) 10.532 6.172 ( 2.818 5.069 0.000) 5.800 6.509 ( -0.094 0.886 0.000) 0.891 6.644 ( 1.219 2.855 0.000) 3.105 6.863 ( -1.335 -10.572 -0.000) 10.656 7.526 ( 9.522 2.800 0.000) 9.925 8.327 ( -10.525 -4.309 -0.000) 11.373 8.779 ( -5.850 12.166 -0.000) 13.499 9.148 ( 13.421 2.204 0.000) 13.601 10.096 ( -6.311 -2.703 -0.000) 6.866 10.174 ( -1.678 1.204 -0.000) 2.065 10.552 ( 1.541 -4.971 0.000) 5.204 10.913 ( 2.065 -8.696 0.000) 8.938 10.970 ( 2.154 12.547 0.000) 12.730 11.786 ( -2.231 -3.485 -0.000) 4.138 13.690 ( 9.017 2.968 0.000) 9.493 13.994 ( 13.244 -1.352 0.000) 13.313 14.659 ( -21.694 2.076 -0.000) 21.793 14.958 ( -17.738 0.534 -0.000) 17.747 15.888 ( 18.126 -9.400 0.000) 20.418 16.456 ( 9.524 -1.332 0.000) 9.617 17.013 ( -8.493 -10.480 -0.000) 13.490 17.345 ( -0.649 -2.619 -0.000) 2.699 18.031 ( -3.172 5.890 -0.000) 6.690 18.443 ( 2.858 7.809 0.000) 8.316 18.631 ( 2.106 10.850 0.000) 11.053 19.525 ( -2.413 1.036 -0.000) 2.626 19.589 ( 3.327 4.406 0.000) 5.521 19.656 ( -3.825 -4.678 -0.000) 6.043 20.397 ( 3.584 -4.267 0.000) 5.572 20.437 ( -2.589 -1.398 -0.000) 2.943 ======================= Grid point 232 (112/126) ======================= q-point: (-0.72 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 2.999 0.185 0.000) 3.005 1.683 ( -0.062 5.435 0.000) 5.435 2.212 ( -4.108 -17.380 -0.000) 17.859 2.741 ( 4.277 3.804 0.000) 5.724 3.461 ( 14.902 -7.027 0.000) 16.476 3.990 ( 21.589 -18.062 0.000) 28.148 4.135 ( -7.186 -28.102 -0.000) 29.006 4.486 ( 10.908 19.310 0.000) 22.178 4.661 ( -9.288 -5.781 -0.000) 10.940 5.396 ( -14.679 -0.404 -0.000) 14.685 5.459 ( 9.603 7.045 0.000) 11.910 5.840 ( 2.437 17.327 0.000) 17.498 6.288 ( -0.809 -0.423 -0.000) 0.913 6.404 ( -4.027 -4.948 -0.000) 6.380 6.538 ( -5.198 -8.192 -0.000) 9.702 6.661 ( -4.065 1.014 -0.000) 4.190 7.788 ( 14.280 -1.216 0.000) 14.332 8.096 ( -4.908 -4.954 -0.000) 6.973 8.992 ( -5.243 16.255 -0.000) 17.079 9.367 ( 3.694 0.205 0.000) 3.700 10.010 ( -2.411 5.172 -0.000) 5.706 10.180 ( 1.358 -0.518 0.000) 1.454 10.468 ( 0.923 -4.190 0.000) 4.290 10.719 ( -0.442 -10.644 -0.000) 10.653 11.272 ( 2.892 10.852 0.000) 11.231 11.625 ( -5.801 -3.763 -0.000) 6.914 14.000 ( 3.631 8.153 0.000) 8.925 14.022 ( -12.318 0.342 -0.000) 12.322 14.537 ( 4.408 6.646 0.000) 7.975 14.617 ( -11.523 3.552 -0.000) 12.058 16.123 ( 17.286 -6.410 0.000) 18.436 16.312 ( -10.756 -10.378 -0.000) 14.947 16.891 ( 11.141 -3.941 0.000) 11.817 17.176 ( -1.730 -10.167 -0.000) 10.314 18.140 ( -0.815 8.378 0.000) 8.417 18.458 ( -4.555 0.777 -0.000) 4.621 19.031 ( 9.421 9.359 0.000) 13.280 19.451 ( -5.491 -5.874 -0.000) 8.041 19.544 ( -3.404 6.732 -0.000) 7.544 19.743 ( 1.269 5.098 0.000) 5.254 20.297 ( -4.585 -3.934 -0.000) 6.042 20.397 ( 3.705 -3.183 0.000) 4.884 ======================= Grid point 234 (113/126) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 1.099 0.697 0.000) 1.302 1.625 ( -5.250 -3.824 -0.000) 6.495 2.095 ( 16.406 -4.421 0.000) 16.991 2.901 ( 15.769 -13.426 0.000) 20.710 3.502 ( 1.559 -18.679 -0.000) 18.744 3.730 ( 9.779 5.262 0.000) 11.105 4.124 ( 16.966 -17.665 0.000) 24.493 4.203 ( -6.977 -9.600 -0.000) 11.868 5.054 ( -18.075 0.906 -0.000) 18.098 5.118 ( 13.080 15.505 0.000) 20.285 5.916 ( -6.687 -13.273 -0.000) 14.862 5.953 ( 13.262 11.361 0.000) 17.463 6.179 ( -8.290 -2.919 -0.000) 8.789 6.218 ( 5.154 7.370 0.000) 8.993 6.544 ( -6.205 1.995 0.000) 6.518 6.544 ( -3.157 5.611 0.000) 6.438 7.837 ( -3.733 -11.045 -0.000) 11.659 8.065 ( 16.158 -3.133 0.000) 16.459 9.126 ( -11.398 12.293 -0.000) 16.765 9.325 ( -6.997 0.128 -0.000) 6.998 10.162 ( 2.314 6.371 0.000) 6.778 10.168 ( 0.752 -2.816 0.000) 2.915 10.504 ( 6.935 0.267 0.000) 6.940 10.507 ( -0.067 -7.976 -0.000) 7.976 11.401 ( -8.763 -2.557 -0.000) 9.128 11.529 ( 3.709 6.966 0.000) 7.892 13.759 ( -15.364 5.164 -0.000) 16.209 13.943 ( -14.336 4.355 -0.000) 14.983 14.838 ( 10.903 8.840 0.000) 14.036 14.880 ( 9.612 9.869 0.000) 13.776 15.827 ( -9.049 -14.228 -0.000) 16.862 16.244 ( 3.058 -3.827 0.000) 4.898 16.958 ( 7.585 -13.218 0.000) 15.239 17.085 ( 11.178 -1.605 0.000) 11.293 18.314 ( -0.973 9.184 0.000) 9.236 18.344 ( -5.235 -1.381 -0.000) 5.414 19.181 ( -7.007 -7.162 -0.000) 10.020 19.340 ( 6.474 4.362 0.000) 7.807 19.641 ( -2.269 7.060 -0.000) 7.416 19.803 ( -6.063 3.429 -0.000) 6.966 20.159 ( 0.417 -2.308 -0.000) 2.346 20.416 ( 3.169 -1.971 0.000) 3.732 ======================= Grid point 236 (114/126) ======================= q-point: ( 0.28 0.72 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.955 -2.696 0.000) 2.860 1.588 ( -2.488 2.363 -0.000) 3.431 2.533 ( 21.913 4.741 0.000) 22.420 2.779 ( 13.744 -20.117 0.000) 24.364 3.510 ( -17.565 -14.363 -0.000) 22.689 3.534 ( 14.192 -0.897 0.000) 14.220 3.981 ( -6.122 10.822 -0.000) 12.434 4.467 ( 26.102 -8.662 0.000) 27.501 4.781 ( -6.699 1.775 -0.000) 6.931 5.543 ( -2.883 -11.033 -0.000) 11.404 5.604 ( 9.918 5.928 0.000) 11.555 5.819 ( -17.530 -2.017 -0.000) 17.646 6.282 ( -6.543 1.350 -0.000) 6.681 6.440 ( 4.452 3.041 0.000) 5.391 6.572 ( 10.928 5.748 0.000) 12.348 6.632 ( -2.246 4.862 -0.000) 5.356 7.557 ( -3.952 -5.552 -0.000) 6.815 8.304 ( 13.457 -4.955 0.000) 14.341 9.071 ( -12.297 9.102 -0.000) 15.299 9.108 ( -11.012 -2.381 -0.000) 11.267 10.138 ( 1.651 -2.433 0.000) 2.940 10.255 ( -0.319 -1.698 -0.000) 1.728 10.434 ( 3.268 -0.501 0.000) 3.306 10.697 ( 8.897 1.130 0.000) 8.968 11.179 ( -10.923 1.002 -0.000) 10.968 11.708 ( 3.933 2.324 0.000) 4.568 13.636 ( -9.926 8.482 -0.000) 13.057 13.826 ( -8.633 9.375 -0.000) 12.744 15.034 ( 5.458 -11.879 0.000) 13.072 15.331 ( 1.657 16.394 0.000) 16.477 15.373 ( 3.441 -17.853 0.000) 18.181 16.232 ( -3.183 9.009 -0.000) 9.554 16.958 ( 14.876 -11.836 0.000) 19.010 17.257 ( 7.582 -1.097 0.000) 7.661 18.197 ( -5.315 -2.007 -0.000) 5.682 18.447 ( -4.382 8.193 -0.000) 9.291 18.881 ( -8.272 -5.740 -0.000) 10.068 19.507 ( 2.524 3.408 0.000) 4.241 19.657 ( -7.521 -0.987 -0.000) 7.586 19.694 ( -0.988 0.665 -0.000) 1.191 20.233 ( 4.251 2.787 0.000) 5.083 20.439 ( 2.364 -1.590 0.000) 2.849 ======================= Grid point 243 (115/126) ======================= q-point: (-0.51 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.041 -0.000 -0.049) 0.064 1.679 ( 5.635 -1.046 0.595) 5.762 2.100 ( -7.169 -12.801 2.611) 14.902 2.427 ( 3.834 -24.768 12.783) 28.135 3.418 ( 7.991 -14.233 12.749) 20.712 3.608 ( -7.874 -15.673 5.570) 18.403 3.792 ( -7.861 11.393 2.412) 14.050 4.430 ( 16.791 2.032 6.380) 18.077 4.912 ( -8.686 4.550 0.219) 9.808 5.290 ( -3.075 7.084 -18.024) 19.609 5.478 ( 2.120 -8.006 -1.120) 8.357 6.073 ( -6.781 -2.597 -11.027) 13.203 6.262 ( 5.956 3.788 -12.739) 14.564 6.375 ( 1.324 8.607 12.930) 15.589 6.713 ( -3.387 -2.180 7.554) 8.561 6.734 ( -0.579 -2.934 8.504) 9.014 6.955 ( 2.982 -7.682 -24.430) 25.782 8.577 ( -0.569 -6.254 33.033) 33.624 9.100 ( 1.249 11.623 -23.959) 26.659 9.438 ( -0.264 10.243 -3.336) 10.776 9.843 ( 0.812 -5.042 -12.796) 13.777 10.227 ( -0.952 -0.573 -0.320) 1.156 10.589 ( -2.040 -1.488 11.662) 11.932 10.680 ( 1.228 -1.321 16.063) 16.164 11.323 ( 2.493 6.470 -6.671) 9.622 11.553 ( -2.069 -3.593 -6.692) 7.872 13.852 ( 4.652 15.709 -9.365) 18.871 14.363 ( 0.226 2.852 7.386) 7.920 14.885 ( -6.003 -2.281 6.122) 8.872 15.027 ( -5.522 2.891 12.117) 13.626 15.658 ( 9.260 4.339 -2.576) 10.546 16.315 ( -12.045 -6.654 -2.433) 13.974 16.536 ( 12.814 -7.574 2.294) 15.061 17.007 ( -3.054 -14.233 2.316) 14.740 18.203 ( -0.291 7.238 -8.610) 11.252 18.490 ( -0.849 -1.745 -3.509) 4.010 18.934 ( 1.933 -1.205 -9.086) 9.368 19.583 ( -0.455 2.153 12.648) 12.838 19.713 ( -1.498 6.764 -4.108) 8.055 19.904 ( 1.179 7.249 3.964) 8.346 20.213 ( 3.347 -3.094 -1.337) 4.751 20.277 ( -3.391 -5.281 -1.789) 6.526 ======================= Grid point 244 (116/126) ======================= q-point: (-0.51 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 4.373 -0.476 1.498) 4.647 1.613 ( 0.757 -14.337 7.071) 16.004 1.875 ( 7.793 3.824 3.081) 9.212 2.208 ( 14.870 -18.966 4.132) 24.452 3.218 ( 3.220 -8.682 12.374) 15.455 3.407 ( 16.423 -10.998 9.907) 22.110 4.058 ( -2.269 18.495 6.203) 19.639 4.362 ( -14.399 -9.493 7.346) 18.746 5.059 ( 14.795 6.100 1.727) 16.096 5.175 ( -2.141 -9.343 -1.914) 9.774 5.595 ( -7.644 3.724 -27.870) 29.138 5.890 ( -1.813 7.636 -9.237) 12.121 6.341 ( 2.303 -5.283 -15.348) 16.394 6.548 ( -5.775 -0.391 15.052) 16.126 6.603 ( 2.855 5.298 13.952) 15.195 6.717 ( -0.581 1.026 1.337) 1.783 6.890 ( 5.222 -7.290 -20.854) 22.700 8.496 ( 4.408 -4.277 35.476) 36.004 9.222 ( -7.330 6.291 -28.317) 29.919 9.589 ( -4.228 6.399 -5.451) 9.410 9.762 ( 0.982 -3.413 -12.121) 12.631 10.227 ( 3.471 -2.599 -2.696) 5.106 10.553 ( 0.339 0.632 14.431) 14.449 10.683 ( -1.259 0.917 20.672) 20.730 11.422 ( -4.774 -1.143 -7.511) 8.973 11.477 ( 3.225 2.360 -6.687) 7.790 14.152 ( -16.829 1.575 -2.999) 17.167 14.232 ( -0.089 12.739 -2.078) 12.908 14.905 ( 7.760 -2.722 6.188) 10.291 15.030 ( -1.420 2.579 12.422) 12.766 15.801 ( -12.420 0.804 -1.336) 12.517 16.114 ( 11.542 3.407 3.032) 12.410 16.597 ( -2.379 -16.367 0.730) 16.555 16.760 ( 15.513 -3.857 1.477) 16.053 18.329 ( -4.009 3.323 -8.429) 9.908 18.422 ( 0.048 1.424 -3.769) 4.030 18.919 ( 3.444 -4.688 -13.803) 14.979 19.609 ( -2.586 2.839 17.042) 17.469 19.790 ( -4.381 5.567 -4.930) 8.631 20.045 ( -4.047 2.798 3.946) 6.307 20.091 ( 0.541 -2.022 -1.194) 2.410 20.243 ( 4.721 -2.983 -2.304) 6.041 ======================= Grid point 252 (117/126) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.000 0.000 -9.484) 9.484 1.324 ( 0.000 0.000 -9.484) 9.484 1.862 ( 0.000 0.000 -0.130) 0.130 2.059 ( -0.000 -0.000 8.448) 8.448 3.593 ( -0.000 -0.000 29.764) 29.764 3.593 ( -0.000 -0.000 29.764) 29.764 4.404 ( 0.000 0.000 -21.599) 21.599 4.696 ( -0.000 -0.000 11.446) 11.446 4.861 ( 0.000 0.000 -30.661) 30.661 4.961 ( -0.000 -0.000 1.253) 1.253 4.961 ( -0.000 -0.000 1.253) 1.253 5.861 ( 0.000 0.000 -4.414) 4.414 5.861 ( 0.000 0.000 -4.414) 4.414 6.554 ( 0.000 0.000 -8.820) 8.820 6.662 ( 0.000 0.000 -3.092) 3.092 7.051 ( -0.000 -0.000 20.118) 20.118 7.051 ( -0.000 -0.000 20.118) 20.118 8.522 ( 0.000 0.000 -41.845) 41.845 8.997 ( -0.000 -0.000 19.055) 19.055 9.469 ( 0.000 0.000 -14.390) 14.390 9.469 ( 0.000 0.000 -14.390) 14.390 10.205 ( -0.000 -0.000 5.604) 5.604 10.958 ( -0.000 -0.000 20.444) 20.444 11.197 ( -0.000 -0.000 21.308) 21.308 11.256 ( 0.000 0.000 -10.817) 10.817 11.256 ( 0.000 0.000 -10.817) 10.817 14.475 ( -0.000 -0.000 2.218) 2.218 14.475 ( -0.000 -0.000 2.218) 2.218 14.487 ( 0.000 0.000 -4.236) 4.236 15.351 ( -0.000 -0.000 7.411) 7.411 16.257 ( -0.000 -0.000 11.672) 11.672 16.257 ( -0.000 -0.000 11.672) 11.672 16.326 ( 0.000 0.000 -0.256) 0.256 16.453 ( 0.000 0.000 -0.770) 0.770 18.287 ( 0.000 0.000 -9.196) 9.196 18.287 ( 0.000 0.000 -9.196) 9.196 18.393 ( 0.000 0.000 -19.109) 19.109 19.798 ( 0.000 0.000 -6.995) 6.995 20.002 ( 0.000 0.000 -2.977) 2.977 20.002 ( 0.000 0.000 -2.977) 2.977 20.094 ( -0.000 -0.000 18.145) 18.145 20.257 ( -0.000 -0.000 3.821) 3.821 ======================= Grid point 279 (118/126) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.231 -0.189 -0.000) 0.298 1.645 ( 2.856 3.702 0.000) 4.675 2.416 ( -14.282 -17.398 -0.000) 22.510 2.654 ( 5.531 -13.841 0.000) 14.906 3.315 ( -2.186 10.039 -0.000) 10.274 3.634 ( 11.328 -16.579 0.000) 20.079 4.235 ( 12.624 12.028 0.000) 17.436 4.293 ( -8.000 -28.261 -0.000) 29.371 4.792 ( -2.185 2.877 -0.000) 3.612 5.380 ( -2.876 3.313 -0.000) 4.387 5.608 ( -5.237 -5.185 -0.000) 7.370 5.808 ( 0.608 17.572 0.000) 17.583 6.299 ( 0.066 6.895 0.000) 6.895 6.459 ( -1.042 -4.383 -0.000) 4.505 6.616 ( -1.556 -11.759 -0.000) 11.862 6.694 ( 0.842 1.774 0.000) 1.964 7.560 ( 6.365 0.042 0.000) 6.366 8.198 ( -5.014 -9.293 -0.000) 10.560 9.066 ( -2.224 14.956 0.000) 15.120 9.247 ( 7.461 8.136 0.000) 11.039 10.077 ( -3.393 0.467 -0.000) 3.425 10.194 ( -2.628 1.036 -0.000) 2.825 10.449 ( 1.056 -4.937 0.000) 5.049 10.715 ( 0.587 -10.218 -0.000) 10.234 11.217 ( 2.402 10.593 0.000) 10.862 11.710 ( -2.107 -3.745 -0.000) 4.297 13.831 ( 9.846 10.050 0.000) 14.070 14.027 ( 8.582 4.434 0.000) 9.660 14.705 ( -16.755 2.283 -0.000) 16.910 14.970 ( -19.441 0.310 -0.000) 19.443 15.723 ( 19.861 -5.740 0.000) 20.674 16.427 ( 4.536 -1.589 0.000) 4.806 16.759 ( -3.536 -13.362 -0.000) 13.822 17.224 ( -2.173 -8.942 -0.000) 9.202 18.161 ( -1.362 6.657 -0.000) 6.795 18.530 ( -1.079 1.290 -0.000) 1.682 18.865 ( 5.019 10.801 0.000) 11.910 19.532 ( -1.630 -6.049 -0.000) 6.264 19.613 ( -2.977 6.976 -0.000) 7.585 19.708 ( 1.409 5.810 0.000) 5.978 20.311 ( 4.261 -4.007 0.000) 5.849 20.386 ( -3.560 -3.431 -0.000) 4.944 ======================= Grid point 281 (119/126) ======================= q-point: (-0.67 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 2.803 0.409 0.000) 2.833 1.770 ( -4.718 1.260 -0.000) 4.883 1.827 ( 5.307 -16.422 0.000) 17.258 2.563 ( 16.113 -18.048 0.000) 24.194 3.470 ( 0.593 -13.076 -0.000) 13.089 3.619 ( 21.912 -16.817 0.000) 27.621 3.658 ( -3.008 2.278 -0.000) 3.773 4.489 ( -9.918 -9.393 -0.000) 13.660 4.843 ( 10.843 12.937 0.000) 16.880 5.354 ( -8.988 -4.604 -0.000) 10.099 5.704 ( 9.643 15.797 0.000) 18.508 6.088 ( -6.951 -1.794 -0.000) 7.178 6.154 ( -2.373 1.494 -0.000) 2.804 6.316 ( -4.682 -2.887 -0.000) 5.501 6.556 ( 1.020 5.318 0.000) 5.415 6.671 ( -4.265 -0.138 -0.000) 4.268 7.742 ( 14.007 -2.930 0.000) 14.310 7.893 ( -2.030 -13.548 -0.000) 13.699 9.319 ( -6.286 14.689 -0.000) 15.977 9.448 ( -4.106 6.469 -0.000) 7.662 10.121 ( 1.650 5.034 0.000) 5.298 10.160 ( -0.679 -1.602 -0.000) 1.740 10.396 ( 3.378 -2.492 0.000) 4.197 10.502 ( 0.242 -9.693 -0.000) 9.696 11.458 ( 3.131 6.858 0.000) 7.538 11.553 ( -5.675 -3.042 -0.000) 6.439 14.072 ( -12.355 4.284 -0.000) 13.077 14.161 ( -3.137 6.751 -0.000) 7.444 14.704 ( 5.156 8.866 0.000) 10.256 14.729 ( -3.375 6.297 -0.000) 7.144 16.029 ( 15.740 -1.807 0.000) 15.844 16.062 ( -12.908 -12.870 -0.000) 18.228 16.817 ( 14.264 -3.326 0.000) 14.647 16.915 ( -2.078 -14.538 -0.000) 14.686 18.312 ( 0.613 7.873 0.000) 7.897 18.451 ( -4.858 -0.985 -0.000) 4.957 19.189 ( 7.354 5.893 0.000) 9.424 19.318 ( -5.639 -6.333 -0.000) 8.480 19.708 ( -3.755 8.159 -0.000) 8.982 19.867 ( -0.033 6.273 0.000) 6.273 20.203 ( -4.272 -4.881 -0.000) 6.486 20.332 ( 4.649 -2.984 0.000) 5.525 ======================= Grid point 283 (120/126) ======================= q-point: ( 0.33 0.67 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.951 -4.421 -0.000) 4.523 1.593 ( 2.149 1.797 0.000) 2.801 2.101 ( 18.423 4.341 0.000) 18.928 2.465 ( 15.988 -23.123 0.000) 28.112 3.254 ( 11.181 -5.425 0.000) 12.428 3.782 ( 10.179 -14.514 0.000) 17.728 3.990 ( 0.087 -10.409 -0.000) 10.410 3.993 ( 1.767 16.917 0.000) 17.009 5.044 ( -12.735 -3.009 -0.000) 13.085 5.355 ( 14.048 7.212 0.000) 15.791 5.656 ( -9.550 -9.504 -0.000) 13.473 6.083 ( -6.890 0.604 -0.000) 6.917 6.271 ( 5.202 11.061 0.000) 12.224 6.343 ( 4.000 3.830 0.000) 5.538 6.528 ( -5.717 -2.769 -0.000) 6.352 6.667 ( -0.798 4.277 -0.000) 4.351 7.599 ( -0.604 -9.466 -0.000) 9.485 7.996 ( 15.704 -3.240 0.000) 16.034 9.350 ( -13.433 8.735 -0.000) 16.024 9.355 ( -12.066 1.934 -0.000) 12.220 10.116 ( 0.584 -1.860 0.000) 1.950 10.258 ( 0.382 2.265 0.000) 2.297 10.364 ( 3.255 -5.091 0.000) 6.043 10.508 ( 8.656 -0.053 0.000) 8.657 11.375 ( -7.900 0.113 -0.000) 7.901 11.628 ( 3.698 2.461 0.000) 4.442 13.898 ( -14.380 8.015 -0.000) 16.463 14.052 ( -12.175 5.939 -0.000) 13.546 14.908 ( 6.059 -3.109 0.000) 6.810 15.081 ( 11.959 5.671 0.000) 13.236 15.560 ( -11.383 -7.560 -0.000) 13.665 16.270 ( 1.943 6.896 0.000) 7.165 16.664 ( 10.870 -14.624 0.000) 18.222 17.044 ( 12.645 -2.453 0.000) 12.881 18.315 ( -5.864 -1.109 -0.000) 5.968 18.478 ( 0.593 5.820 0.000) 5.850 19.060 ( -8.303 -3.635 -0.000) 9.064 19.406 ( 6.154 1.722 0.000) 6.390 19.760 ( -4.392 4.415 -0.000) 6.228 19.838 ( -9.032 -0.681 -0.000) 9.057 20.152 ( 3.493 2.073 0.000) 4.062 20.369 ( 4.186 -2.634 0.000) 4.946 ======================= Grid point 292 (121/126) ======================= q-point: (-0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 1.042 -3.956 2.045) 4.573 1.561 ( 1.265 -11.222 5.072) 12.380 1.919 ( -8.852 -5.961 4.003) 11.398 1.985 ( 7.282 -11.736 3.739) 14.309 3.178 ( 4.839 -8.279 14.882) 17.704 3.237 ( -4.851 -13.762 11.925) 18.845 4.158 ( -6.816 17.464 5.900) 19.653 4.435 ( 11.225 -0.119 7.462) 13.480 4.946 ( -7.971 -0.305 1.286) 8.080 5.152 ( 3.118 -14.282 0.336) 14.623 5.648 ( 1.297 17.083 -27.935) 32.769 6.021 ( -3.322 -1.718 -9.411) 10.127 6.237 ( 2.312 -6.811 -25.458) 26.455 6.549 ( 0.878 7.102 16.059) 17.581 6.654 ( -1.894 -1.608 17.376) 17.553 6.721 ( 0.053 -0.475 -0.084) 0.485 6.825 ( 0.832 -4.186 -17.448) 17.963 8.448 ( -0.019 -5.197 36.496) 36.864 9.298 ( 0.390 7.083 -32.083) 32.857 9.631 ( -1.431 7.214 -6.169) 9.600 9.751 ( 1.510 -3.539 -11.641) 12.261 10.190 ( -0.378 -2.451 -1.555) 2.927 10.558 ( -0.228 -0.418 14.814) 14.821 10.697 ( 0.060 1.292 22.899) 22.936 11.426 ( 1.499 3.288 -7.423) 8.256 11.487 ( -1.399 -2.458 -7.220) 7.754 14.190 ( 2.051 15.766 -5.123) 16.704 14.410 ( -0.970 1.560 3.464) 3.921 14.768 ( -1.621 -8.115 -1.148) 8.354 15.092 ( -0.504 2.433 14.860) 15.066 15.845 ( 5.354 12.538 1.855) 13.759 16.146 ( -10.461 -7.748 3.550) 13.493 16.444 ( 10.023 -2.309 -0.868) 10.322 16.680 ( -3.830 -16.202 1.353) 16.703 18.353 ( 0.316 6.532 -7.092) 9.647 18.451 ( -0.606 -1.578 -4.287) 4.609 18.866 ( 0.404 -4.379 -16.069) 16.660 19.640 ( -0.062 2.698 18.405) 18.602 19.853 ( -0.529 6.433 -5.473) 8.462 20.026 ( 0.525 3.850 1.923) 4.336 20.144 ( 2.321 -4.717 -1.124) 5.376 20.180 ( -2.364 -2.249 -0.389) 3.286 ======================= Grid point 328 (122/126) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.472 -0.451 0.000) 0.653 1.655 ( 4.723 -4.267 0.000) 6.365 2.050 ( -15.976 -15.044 -0.000) 21.944 2.266 ( 11.497 -19.803 0.000) 22.898 3.287 ( 8.982 -15.378 0.000) 17.809 3.543 ( -7.878 -6.872 -0.000) 10.454 3.788 ( -8.518 -2.945 -0.000) 9.013 4.360 ( 16.748 1.039 0.000) 16.780 4.898 ( -10.080 4.100 -0.000) 10.882 5.433 ( 0.466 -11.611 -0.000) 11.620 5.576 ( 1.912 15.840 0.000) 15.955 6.093 ( 0.775 9.794 0.000) 9.825 6.372 ( -9.712 -4.783 -0.000) 10.826 6.374 ( -0.750 -3.099 -0.000) 3.189 6.486 ( 5.510 4.358 0.000) 7.025 6.714 ( 0.152 0.150 0.000) 0.214 7.534 ( 4.266 -2.089 0.000) 4.750 7.937 ( -2.395 -14.996 -0.000) 15.186 9.380 ( -0.140 14.667 0.000) 14.668 9.470 ( 2.392 12.000 0.000) 12.236 10.099 ( 0.253 1.224 0.000) 1.249 10.214 ( -4.142 0.382 -0.000) 4.160 10.347 ( 1.704 -4.541 0.000) 4.850 10.503 ( -0.270 -9.561 -0.000) 9.565 11.401 ( 2.180 7.017 0.000) 7.348 11.633 ( -1.911 -3.496 -0.000) 3.984 14.075 ( 8.169 12.360 0.000) 14.816 14.164 ( 3.138 8.036 0.000) 8.627 14.753 ( -8.719 2.409 -0.000) 9.045 14.952 ( -13.732 -2.315 -0.000) 13.925 15.682 ( 15.317 2.424 0.000) 15.508 16.347 ( -13.527 -8.704 -0.000) 16.086 16.516 ( 13.181 -6.918 0.000) 14.887 16.982 ( -3.451 -13.918 -0.000) 14.339 18.303 ( 0.007 6.752 0.000) 6.752 18.525 ( -1.371 -1.239 -0.000) 1.848 19.062 ( 3.890 7.904 0.000) 8.809 19.402 ( -2.200 -6.222 -0.000) 6.599 19.787 ( -3.538 8.950 -0.000) 9.624 19.833 ( 2.705 6.055 0.000) 6.631 20.231 ( 4.813 -3.670 0.000) 6.053 20.299 ( -4.229 -4.792 -0.000) 6.391 ======================= Grid point 330 (123/126) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 4.049 -10.782 0.000) 11.518 1.504 ( 5.788 -2.540 0.000) 6.321 1.840 ( 4.706 3.047 0.000) 5.606 2.145 ( 13.532 -18.794 0.000) 23.158 3.102 ( 3.085 -12.174 0.000) 12.558 3.312 ( 20.939 -12.219 0.000) 24.244 3.992 ( -2.345 19.385 0.000) 19.527 4.280 ( -14.238 -10.042 -0.000) 17.423 5.040 ( 14.522 6.684 0.000) 15.987 5.179 ( -0.959 -11.900 -0.000) 11.939 5.963 ( -17.505 -3.230 -0.000) 17.801 6.047 ( 5.500 14.439 0.000) 15.451 6.287 ( 1.246 4.929 0.000) 5.084 6.297 ( -3.935 1.463 -0.000) 4.199 6.643 ( -4.273 -2.961 -0.000) 5.198 6.656 ( 2.105 3.563 0.000) 4.138 7.604 ( -0.314 -11.966 -0.000) 11.970 7.677 ( 13.806 -3.065 0.000) 14.142 9.583 ( -9.117 5.550 -0.000) 10.674 9.585 ( -7.981 10.195 -0.000) 12.947 10.115 ( -0.878 -2.217 -0.000) 2.385 10.205 ( 4.723 2.520 0.000) 5.353 10.330 ( -0.112 -6.382 -0.000) 6.383 10.362 ( 4.965 -1.031 0.000) 5.071 11.507 ( -4.730 -1.126 -0.000) 4.862 11.557 ( 2.998 2.647 0.000) 3.999 14.187 ( -11.833 6.290 -0.000) 13.401 14.277 ( -7.436 4.494 -0.000) 8.689 14.820 ( 0.925 1.358 0.000) 1.643 14.872 ( 7.392 5.763 0.000) 9.373 15.826 ( -13.957 -7.814 -0.000) 15.996 16.077 ( 14.029 6.198 0.000) 15.337 16.594 ( -2.237 -15.179 -0.000) 15.343 16.746 ( 15.335 -3.541 0.000) 15.739 18.431 ( -4.862 -0.717 -0.000) 4.915 18.451 ( 1.494 4.930 0.000) 5.151 19.208 ( -5.636 -3.580 -0.000) 6.677 19.277 ( 5.745 2.447 0.000) 6.245 19.858 ( -4.851 5.962 -0.000) 7.687 19.986 ( -3.061 4.043 -0.000) 5.071 20.109 ( -1.074 -2.972 -0.000) 3.160 20.270 ( 5.250 -3.172 0.000) 6.134 ======================= Grid point 342 (124/126) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -0.000 -0.000 4.217) 4.217 1.373 ( -0.000 -0.000 4.217) 4.217 1.849 ( -0.000 -0.000 0.786) 0.786 1.911 ( -0.000 -0.000 5.088) 5.088 3.089 ( -0.000 -0.000 15.713) 15.713 3.089 ( -0.000 -0.000 15.713) 15.713 4.366 ( -0.000 -0.000 5.067) 5.067 4.468 ( -0.000 -0.000 9.229) 9.229 4.939 ( -0.000 -0.000 0.745) 0.745 4.939 ( -0.000 -0.000 0.745) 0.745 5.990 ( 0.000 0.000 -52.595) 52.595 6.004 ( 0.000 0.000 -8.810) 8.810 6.004 ( 0.000 0.000 -8.810) 8.810 6.639 ( -0.000 -0.000 18.009) 18.009 6.639 ( -0.000 -0.000 18.009) 18.009 6.706 ( 0.000 0.000 -0.367) 0.367 6.783 ( 0.000 0.000 -15.171) 15.171 8.389 ( -0.000 -0.000 37.663) 37.663 9.377 ( 0.000 0.000 -37.996) 37.996 9.710 ( 0.000 0.000 -7.952) 7.952 9.710 ( 0.000 0.000 -7.952) 7.952 10.159 ( 0.000 0.000 -1.235) 1.235 10.559 ( -0.000 -0.000 16.479) 16.479 10.712 ( -0.000 -0.000 24.701) 24.701 11.460 ( 0.000 0.000 -7.595) 7.595 11.460 ( 0.000 0.000 -7.595) 7.595 14.427 ( -0.000 -0.000 2.017) 2.017 14.427 ( -0.000 -0.000 2.017) 2.017 14.615 ( 0.000 0.000 -8.138) 8.138 15.117 ( -0.000 -0.000 13.352) 13.352 16.057 ( -0.000 -0.000 6.814) 6.814 16.057 ( -0.000 -0.000 6.814) 6.814 16.385 ( 0.000 0.000 -3.982) 3.982 16.470 ( 0.000 0.000 -0.392) 0.392 18.434 ( 0.000 0.000 -4.609) 4.609 18.434 ( 0.000 0.000 -4.609) 4.609 18.806 ( 0.000 0.000 -19.869) 19.869 19.672 ( -0.000 -0.000 20.218) 20.218 19.949 ( 0.000 0.000 -6.041) 6.041 20.060 ( 0.000 0.000 -2.151) 2.151 20.060 ( 0.000 0.000 -2.151) 2.151 20.170 ( -0.000 -0.000 4.395) 4.395 ======================= Grid point 380 (125/126) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 1.631 -7.347 0.000) 7.526 1.442 ( -1.074 -12.782 -0.000) 12.827 1.876 ( -6.958 -3.178 -0.000) 7.649 1.934 ( 6.770 -9.885 0.000) 11.981 3.028 ( 5.319 -8.870 0.000) 10.343 3.126 ( -5.275 -17.747 -0.000) 18.514 4.095 ( -7.277 17.713 -0.000) 19.150 4.349 ( 11.187 -1.059 0.000) 11.237 4.932 ( -7.744 0.128 -0.000) 7.745 5.144 ( 3.505 -14.957 0.000) 15.362 5.960 ( 2.430 17.940 0.000) 18.104 6.191 ( -0.563 -0.476 -0.000) 0.737 6.330 ( -3.881 2.373 -0.000) 4.549 6.340 ( 0.172 -0.002 0.000) 0.172 6.591 ( 1.661 3.866 0.000) 4.208 6.692 ( -0.289 -2.637 -0.000) 2.652 7.489 ( 2.346 -1.895 0.000) 3.016 7.625 ( -1.790 -13.292 -0.000) 13.412 9.656 ( 0.834 11.183 0.000) 11.214 9.697 ( -0.522 8.706 0.000) 8.722 10.111 ( 2.794 -0.316 0.000) 2.812 10.172 ( -4.247 -4.534 -0.000) 6.213 10.294 ( 1.936 -0.373 0.000) 1.971 10.344 ( -0.869 -5.092 -0.000) 5.165 11.510 ( 1.340 3.418 0.000) 3.671 11.571 ( -1.275 -2.298 -0.000) 2.628 14.304 ( 3.856 8.713 0.000) 9.528 14.328 ( -1.051 6.664 0.000) 6.746 14.805 ( -0.750 2.368 -0.000) 2.483 14.882 ( -4.252 -3.709 -0.000) 5.643 15.822 ( 7.816 10.003 0.000) 12.694 16.108 ( -10.047 -10.799 -0.000) 14.750 16.460 ( 8.449 -0.715 0.000) 8.480 16.668 ( -3.962 -15.236 -0.000) 15.743 18.428 ( 0.532 4.796 0.000) 4.825 18.496 ( -0.803 -1.224 -0.000) 1.464 19.190 ( 1.982 4.256 0.000) 4.695 19.286 ( -1.668 -4.492 -0.000) 4.792 19.957 ( 3.642 5.831 0.000) 6.875 19.958 ( -4.507 7.044 -0.000) 8.363 20.157 ( 5.318 -3.497 0.000) 6.365 20.192 ( -4.482 -5.378 -0.000) 7.000 ======================= Grid point 431 (126/126) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 0.000 -0.000) 0.000 1.285 ( 0.000 0.000 -0.000) 0.000 1.848 ( 0.000 0.000 -1.102) 1.102 1.848 ( -0.000 -0.000 1.102) 1.102 2.934 ( 0.000 0.000 -0.000) 0.000 2.934 ( 0.000 0.000 -0.000) 0.000 4.336 ( 0.000 0.000 -2.632) 2.632 4.336 ( -0.000 -0.000 2.632) 2.632 4.931 ( 0.000 0.000 -0.000) 0.000 4.931 ( 0.000 0.000 -0.000) 0.000 6.174 ( 0.000 0.000 -0.000) 0.000 6.174 ( 0.000 0.000 -0.000) 0.000 6.368 ( 0.000 0.000 -0.000) 0.000 6.368 ( 0.000 0.000 -0.000) 0.000 6.632 ( 0.000 0.000 -9.784) 9.784 6.632 ( -0.000 -0.000 9.784) 9.784 7.467 ( 0.000 0.000 -46.175) 46.175 7.467 ( -0.000 -0.000 46.175) 46.175 9.795 ( 0.000 0.000 -0.000) 0.000 9.795 ( 0.000 0.000 -0.000) 0.000 10.099 ( 0.000 0.000 -27.601) 27.601 10.099 ( -0.000 -0.000 27.601) 27.601 10.295 ( 0.000 0.000 -5.753) 5.753 10.295 ( -0.000 -0.000 5.753) 5.753 11.545 ( 0.000 0.000 -0.000) 0.000 11.545 ( 0.000 0.000 -0.000) 0.000 14.403 ( 0.000 0.000 -0.000) 0.000 14.403 ( 0.000 0.000 -0.000) 0.000 14.835 ( 0.000 0.000 -12.413) 12.413 14.835 ( -0.000 -0.000 12.413) 12.413 15.982 ( 0.000 0.000 -0.000) 0.000 15.982 ( 0.000 0.000 -0.000) 0.000 16.454 ( 0.000 0.000 -2.093) 2.093 16.454 ( -0.000 -0.000 2.093) 2.093 18.482 ( 0.000 0.000 -0.000) 0.000 18.482 ( 0.000 0.000 -0.000) 0.000 19.235 ( 0.000 0.000 -20.616) 20.616 19.235 ( -0.000 -0.000 20.616) 20.616 20.069 ( 0.000 0.000 -5.184) 5.184 20.069 ( -0.000 -0.000 5.184) 5.184 20.084 ( 0.000 0.000 -0.000) 0.000 20.084 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/34020 10.0 194.195 194.195 96.288 -0.000 -0.000 -0.000 3/34020 20.0 47.484 47.484 17.721 -0.000 0.000 -0.000 3/34020 30.0 25.053 25.053 9.311 -0.000 0.000 -0.000 3/34020 40.0 16.863 16.863 6.958 -0.000 0.000 -0.000 3/34020 50.0 12.902 12.902 6.010 -0.000 0.000 -0.000 3/34020 60.0 10.598 10.598 5.506 -0.000 0.000 -0.000 3/34020 70.0 9.065 9.065 5.157 -0.000 -0.000 -0.000 3/34020 80.0 7.949 7.949 4.867 -0.000 -0.000 -0.000 3/34020 90.0 7.091 7.091 4.607 -0.000 -0.000 -0.000 3/34020 100.0 6.407 6.407 4.367 -0.000 -0.000 -0.000 3/34020 110.0 5.849 5.849 4.146 -0.000 -0.000 -0.000 3/34020 120.0 5.386 5.386 3.942 -0.000 -0.000 -0.000 3/34020 130.0 4.995 4.995 3.754 -0.000 -0.000 -0.000 3/34020 140.0 4.661 4.661 3.582 -0.000 -0.000 -0.000 3/34020 150.0 4.373 4.373 3.424 -0.000 -0.000 -0.000 3/34020 160.0 4.122 4.122 3.279 -0.000 -0.000 -0.000 3/34020 170.0 3.901 3.901 3.146 -0.000 -0.000 -0.000 3/34020 180.0 3.705 3.705 3.022 -0.000 -0.000 -0.000 3/34020 190.0 3.529 3.529 2.908 -0.000 -0.000 -0.000 3/34020 200.0 3.371 3.371 2.802 -0.000 -0.000 -0.000 3/34020 210.0 3.227 3.227 2.704 -0.000 -0.000 -0.000 3/34020 220.0 3.097 3.097 2.612 -0.000 -0.000 -0.000 3/34020 230.0 2.977 2.977 2.526 -0.000 -0.000 -0.000 3/34020 240.0 2.867 2.867 2.445 -0.000 -0.000 -0.000 3/34020 250.0 2.765 2.765 2.369 -0.000 -0.000 -0.000 3/34020 260.0 2.670 2.670 2.298 -0.000 -0.000 -0.000 3/34020 270.0 2.582 2.582 2.231 -0.000 -0.000 -0.000 3/34020 280.0 2.500 2.500 2.167 -0.000 -0.000 -0.000 3/34020 290.0 2.423 2.423 2.107 -0.000 -0.000 -0.000 3/34020 300.0 2.351 2.351 2.050 -0.000 -0.000 -0.000 3/34020 310.0 2.283 2.283 1.995 -0.000 -0.000 -0.000 3/34020 320.0 2.219 2.219 1.944 -0.000 -0.000 -0.000 3/34020 330.0 2.158 2.158 1.894 -0.000 -0.000 -0.000 3/34020 340.0 2.101 2.101 1.848 -0.000 -0.000 -0.000 3/34020 350.0 2.046 2.046 1.803 -0.000 -0.000 -0.000 3/34020 360.0 1.995 1.995 1.760 -0.000 -0.000 -0.000 3/34020 370.0 1.946 1.946 1.720 -0.000 -0.000 -0.000 3/34020 380.0 1.899 1.899 1.681 -0.000 -0.000 -0.000 3/34020 390.0 1.854 1.854 1.643 -0.000 -0.000 -0.000 3/34020 400.0 1.812 1.812 1.607 -0.000 -0.000 -0.000 3/34020 410.0 1.771 1.771 1.573 -0.000 -0.000 -0.000 3/34020 420.0 1.732 1.732 1.540 -0.000 -0.000 -0.000 3/34020 430.0 1.695 1.695 1.508 -0.000 -0.000 -0.000 3/34020 440.0 1.659 1.659 1.478 -0.000 -0.000 -0.000 3/34020 450.0 1.625 1.625 1.449 -0.000 -0.000 -0.000 3/34020 460.0 1.592 1.592 1.420 -0.000 -0.000 -0.000 3/34020 470.0 1.560 1.560 1.393 -0.000 -0.000 -0.000 3/34020 480.0 1.530 1.530 1.367 -0.000 -0.000 -0.000 3/34020 490.0 1.501 1.501 1.342 -0.000 -0.000 -0.000 3/34020 500.0 1.473 1.473 1.318 -0.000 -0.000 -0.000 3/34020 510.0 1.446 1.446 1.294 -0.000 -0.000 -0.000 3/34020 520.0 1.419 1.419 1.271 -0.000 -0.000 -0.000 3/34020 530.0 1.394 1.394 1.249 -0.000 -0.000 -0.000 3/34020 540.0 1.370 1.370 1.228 -0.000 -0.000 -0.000 3/34020 550.0 1.346 1.346 1.207 -0.000 -0.000 -0.000 3/34020 560.0 1.323 1.323 1.188 -0.000 -0.000 -0.000 3/34020 570.0 1.301 1.301 1.168 -0.000 -0.000 -0.000 3/34020 580.0 1.280 1.280 1.150 -0.000 -0.000 -0.000 3/34020 590.0 1.259 1.259 1.131 -0.000 -0.000 -0.000 3/34020 600.0 1.239 1.239 1.114 -0.000 -0.000 -0.000 3/34020 610.0 1.220 1.220 1.097 -0.000 -0.000 -0.000 3/34020 620.0 1.201 1.201 1.080 -0.000 -0.000 -0.000 3/34020 630.0 1.183 1.183 1.064 -0.000 -0.000 -0.000 3/34020 640.0 1.165 1.165 1.049 -0.000 -0.000 -0.000 3/34020 650.0 1.148 1.148 1.033 -0.000 -0.000 -0.000 3/34020 660.0 1.132 1.132 1.019 -0.000 -0.000 -0.000 3/34020 670.0 1.115 1.115 1.004 -0.000 -0.000 -0.000 3/34020 680.0 1.100 1.100 0.990 -0.000 -0.000 -0.000 3/34020 690.0 1.084 1.084 0.977 -0.000 -0.000 -0.000 3/34020 700.0 1.069 1.069 0.964 -0.000 -0.000 -0.000 3/34020 710.0 1.055 1.055 0.951 -0.000 -0.000 -0.000 3/34020 720.0 1.041 1.041 0.938 -0.000 -0.000 -0.000 3/34020 730.0 1.027 1.027 0.926 -0.000 -0.000 -0.000 3/34020 740.0 1.014 1.014 0.914 -0.000 -0.000 -0.000 3/34020 750.0 1.000 1.000 0.902 -0.000 -0.000 -0.000 3/34020 760.0 0.988 0.988 0.891 -0.000 -0.000 -0.000 3/34020 770.0 0.975 0.975 0.880 -0.000 -0.000 -0.000 3/34020 780.0 0.963 0.963 0.869 -0.000 -0.000 -0.000 3/34020 790.0 0.951 0.951 0.859 -0.000 -0.000 -0.000 3/34020 800.0 0.940 0.940 0.848 -0.000 -0.000 -0.000 3/34020 810.0 0.929 0.929 0.838 -0.000 -0.000 -0.000 3/34020 820.0 0.918 0.918 0.829 -0.000 -0.000 -0.000 3/34020 830.0 0.907 0.907 0.819 -0.000 -0.000 -0.000 3/34020 840.0 0.896 0.896 0.810 -0.000 -0.000 -0.000 3/34020 850.0 0.886 0.886 0.800 -0.000 -0.000 -0.000 3/34020 860.0 0.876 0.876 0.791 -0.000 -0.000 -0.000 3/34020 870.0 0.866 0.866 0.783 -0.000 -0.000 -0.000 3/34020 880.0 0.857 0.857 0.774 -0.000 -0.000 -0.000 3/34020 890.0 0.847 0.847 0.766 -0.000 -0.000 -0.000 3/34020 900.0 0.838 0.838 0.757 -0.000 -0.000 -0.000 3/34020 910.0 0.829 0.829 0.749 -0.000 -0.000 -0.000 3/34020 920.0 0.820 0.820 0.742 -0.000 -0.000 -0.000 3/34020 930.0 0.812 0.812 0.734 -0.000 -0.000 -0.000 3/34020 940.0 0.803 0.803 0.726 -0.000 -0.000 -0.000 3/34020 950.0 0.795 0.795 0.719 -0.000 -0.000 -0.000 3/34020 960.0 0.787 0.787 0.712 -0.000 -0.000 -0.000 3/34020 970.0 0.779 0.779 0.705 -0.000 -0.000 -0.000 3/34020 980.0 0.771 0.771 0.698 -0.000 -0.000 -0.000 3/34020 990.0 0.764 0.764 0.691 -0.000 -0.000 -0.000 3/34020 1000.0 0.756 0.756 0.684 -0.000 -0.000 -0.000 3/34020 Thermal conductivity related properties were written into "kappa-m1990.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:42:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|