----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:18:04]------------------------- 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 -2.565434860000000 2.565434860000000 5.812637115000000 b 2.565434860000000 -2.565434860000000 5.812637115000000 c 2.565434860000000 2.565434860000000 -5.812637115000000 Atomic positions (fractional): *1 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 2 Pr 0.50000000000000 0.50000000000000 0.00000000000000 140.908 *3 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 4 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 *5 O 0.80803126789264 0.41795358668570 0.88191413495206 15.999 6 O 0.21396054826635 0.32388286705942 0.38191413495206 15.999 7 O 0.16795358668570 0.78603945173365 0.10992231879306 15.999 8 O 0.07388286705942 0.19196873210736 0.60992231879306 15.999 9 O 0.58204641331430 0.46396054826636 0.39007768120694 15.999 10 O 0.67611713294058 0.05803126789264 0.89007768120694 15.999 11 O 0.94196873210736 0.83204641331430 0.61808586504794 15.999 12 O 0.53603945173365 0.92611713294058 0.11808586504794 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.130869720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.130869720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.625274230000000 Atomic positions (fractional): *1 Pr 0.50000000000000 0.00000000000000 0.25000000000000 140.908 > 1 2 Pr 0.50000000000000 0.50000000000000 0.00000000000000 140.908 > 2 3 Pr 0.00000000000000 0.50000000000000 0.75000000000000 140.908 > 1 4 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 2 *5 As 0.00000000000000 0.50000000000000 0.25000000000000 74.922 > 3 6 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 4 7 As 0.50000000000000 0.00000000000000 0.75000000000000 74.922 > 3 8 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 4 *9 O 0.24591822687256 0.63599590807950 0.17203535981314 15.999 > 5 10 O 0.24591822687256 0.13599590807950 0.07796464018686 15.999 > 6 11 O 0.36400409192050 0.74591822687256 0.42203535981314 15.999 > 7 12 O 0.86400409192050 0.74591822687256 0.32796464018686 15.999 > 8 13 O 0.13599590807950 0.25408177312744 0.32796464018686 15.999 > 9 14 O 0.63599590807950 0.25408177312744 0.42203535981314 15.999 > 10 15 O 0.75408177312744 0.86400409192050 0.07796464018686 15.999 > 11 16 O 0.75408177312744 0.36400409192050 0.17203535981314 15.999 > 12 17 O 0.74591822687256 0.13599590807950 0.67203535981314 15.999 > 5 18 O 0.74591822687256 0.63599590807950 0.57796464018686 15.999 > 6 19 O 0.86400409192050 0.24591822687256 0.92203535981314 15.999 > 7 20 O 0.36400409192050 0.24591822687256 0.82796464018686 15.999 > 8 21 O 0.63599590807950 0.75408177312744 0.82796464018686 15.999 > 9 22 O 0.13599590807950 0.75408177312744 0.92203535981314 15.999 > 10 23 O 0.25408177312744 0.36400409192050 0.57796464018686 15.999 > 11 24 O 0.25408177312744 0.86400409192050 0.67203535981314 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.261739439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.261739439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.625274230000000 Atomic positions (fractional): *1 Pr 0.25000000000000 0.00000000000000 0.25000000000000 140.908 > 1 2 Pr 0.75000000000000 0.00000000000000 0.25000000000000 140.908 > 1 3 Pr 0.25000000000000 0.50000000000000 0.25000000000000 140.908 > 1 4 Pr 0.75000000000000 0.50000000000000 0.25000000000000 140.908 > 1 5 Pr 0.25000000000000 0.25000000000000 0.00000000000000 140.908 > 2 6 Pr 0.75000000000000 0.25000000000000 0.00000000000000 140.908 > 2 7 Pr 0.25000000000000 0.75000000000000 0.00000000000000 140.908 > 2 8 Pr 0.75000000000000 0.75000000000000 0.00000000000000 140.908 > 2 9 Pr 0.00000000000000 0.25000000000000 0.75000000000000 140.908 > 1 10 Pr 0.50000000000000 0.25000000000000 0.75000000000000 140.908 > 1 11 Pr 0.00000000000000 0.75000000000000 0.75000000000000 140.908 > 1 12 Pr 0.50000000000000 0.75000000000000 0.75000000000000 140.908 > 1 13 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 2 14 Pr 0.50000000000000 0.00000000000000 0.50000000000000 140.908 > 2 15 Pr 0.00000000000000 0.50000000000000 0.50000000000000 140.908 > 2 16 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 > 2 *17 As 0.00000000000000 0.25000000000000 0.25000000000000 74.922 > 3 18 As 0.50000000000000 0.25000000000000 0.25000000000000 74.922 > 3 19 As 0.00000000000000 0.75000000000000 0.25000000000000 74.922 > 3 20 As 0.50000000000000 0.75000000000000 0.25000000000000 74.922 > 3 21 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 4 22 As 0.50000000000000 0.00000000000000 0.00000000000000 74.922 > 4 23 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 4 24 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 4 25 As 0.25000000000000 0.00000000000000 0.75000000000000 74.922 > 3 26 As 0.75000000000000 0.00000000000000 0.75000000000000 74.922 > 3 27 As 0.25000000000000 0.50000000000000 0.75000000000000 74.922 > 3 28 As 0.75000000000000 0.50000000000000 0.75000000000000 74.922 > 3 29 As 0.25000000000000 0.25000000000000 0.50000000000000 74.922 > 4 30 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 > 4 31 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 > 4 32 As 0.75000000000000 0.75000000000000 0.50000000000000 74.922 > 4 *33 O 0.12295911343628 0.31799795403975 0.17203535981314 15.999 > 5 34 O 0.62295911343628 0.31799795403975 0.17203535981314 15.999 > 5 35 O 0.12295911343628 0.81799795403975 0.17203535981314 15.999 > 5 36 O 0.62295911343628 0.81799795403975 0.17203535981314 15.999 > 5 37 O 0.12295911343628 0.06799795403975 0.07796464018686 15.999 > 6 38 O 0.62295911343628 0.06799795403975 0.07796464018686 15.999 > 6 39 O 0.12295911343628 0.56799795403975 0.07796464018686 15.999 > 6 40 O 0.62295911343628 0.56799795403975 0.07796464018686 15.999 > 6 41 O 0.18200204596025 0.37295911343628 0.42203535981314 15.999 > 7 42 O 0.68200204596025 0.37295911343628 0.42203535981314 15.999 > 7 43 O 0.18200204596025 0.87295911343628 0.42203535981314 15.999 > 7 44 O 0.68200204596025 0.87295911343628 0.42203535981314 15.999 > 7 45 O 0.43200204596025 0.37295911343628 0.32796464018686 15.999 > 8 46 O 0.93200204596025 0.37295911343628 0.32796464018686 15.999 > 8 47 O 0.43200204596025 0.87295911343628 0.32796464018686 15.999 > 8 48 O 0.93200204596025 0.87295911343628 0.32796464018686 15.999 > 8 49 O 0.06799795403975 0.12704088656372 0.32796464018686 15.999 > 9 50 O 0.56799795403975 0.12704088656372 0.32796464018686 15.999 > 9 51 O 0.06799795403975 0.62704088656372 0.32796464018686 15.999 > 9 52 O 0.56799795403975 0.62704088656372 0.32796464018686 15.999 > 9 53 O 0.31799795403975 0.12704088656372 0.42203535981314 15.999 > 10 54 O 0.81799795403975 0.12704088656372 0.42203535981314 15.999 > 10 55 O 0.31799795403975 0.62704088656372 0.42203535981314 15.999 > 10 56 O 0.81799795403975 0.62704088656372 0.42203535981314 15.999 > 10 57 O 0.37704088656372 0.43200204596025 0.07796464018686 15.999 > 11 58 O 0.87704088656372 0.43200204596025 0.07796464018686 15.999 > 11 59 O 0.37704088656372 0.93200204596025 0.07796464018686 15.999 > 11 60 O 0.87704088656372 0.93200204596025 0.07796464018686 15.999 > 11 61 O 0.37704088656372 0.18200204596025 0.17203535981314 15.999 > 12 62 O 0.87704088656372 0.18200204596025 0.17203535981314 15.999 > 12 63 O 0.37704088656372 0.68200204596025 0.17203535981314 15.999 > 12 64 O 0.87704088656372 0.68200204596025 0.17203535981314 15.999 > 12 65 O 0.37295911343628 0.06799795403975 0.67203535981314 15.999 > 5 66 O 0.87295911343628 0.06799795403975 0.67203535981314 15.999 > 5 67 O 0.37295911343628 0.56799795403975 0.67203535981314 15.999 > 5 68 O 0.87295911343628 0.56799795403975 0.67203535981314 15.999 > 5 69 O 0.37295911343628 0.31799795403975 0.57796464018686 15.999 > 6 70 O 0.87295911343628 0.31799795403975 0.57796464018686 15.999 > 6 71 O 0.37295911343628 0.81799795403975 0.57796464018686 15.999 > 6 72 O 0.87295911343628 0.81799795403975 0.57796464018686 15.999 > 6 73 O 0.43200204596025 0.12295911343628 0.92203535981314 15.999 > 7 74 O 0.93200204596025 0.12295911343628 0.92203535981314 15.999 > 7 75 O 0.43200204596025 0.62295911343628 0.92203535981314 15.999 > 7 76 O 0.93200204596025 0.62295911343628 0.92203535981314 15.999 > 7 77 O 0.18200204596025 0.12295911343628 0.82796464018686 15.999 > 8 78 O 0.68200204596025 0.12295911343628 0.82796464018686 15.999 > 8 79 O 0.18200204596025 0.62295911343628 0.82796464018686 15.999 > 8 80 O 0.68200204596025 0.62295911343628 0.82796464018686 15.999 > 8 81 O 0.31799795403975 0.37704088656372 0.82796464018686 15.999 > 9 82 O 0.81799795403975 0.37704088656372 0.82796464018686 15.999 > 9 83 O 0.31799795403975 0.87704088656372 0.82796464018686 15.999 > 9 84 O 0.81799795403975 0.87704088656372 0.82796464018686 15.999 > 9 85 O 0.06799795403975 0.37704088656372 0.92203535981314 15.999 > 10 86 O 0.56799795403975 0.37704088656372 0.92203535981314 15.999 > 10 87 O 0.06799795403975 0.87704088656372 0.92203535981314 15.999 > 10 88 O 0.56799795403975 0.87704088656372 0.92203535981314 15.999 > 10 89 O 0.12704088656372 0.18200204596025 0.57796464018686 15.999 > 11 90 O 0.62704088656372 0.18200204596025 0.57796464018686 15.999 > 11 91 O 0.12704088656372 0.68200204596025 0.57796464018686 15.999 > 11 92 O 0.62704088656372 0.68200204596025 0.57796464018686 15.999 > 11 93 O 0.12704088656372 0.43200204596025 0.67203535981314 15.999 > 12 94 O 0.62704088656372 0.43200204596025 0.67203535981314 15.999 > 12 95 O 0.12704088656372 0.93200204596025 0.67203535981314 15.999 > 12 96 O 0.62704088656372 0.93200204596025 0.67203535981314 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9954900 0.0004520 0.0000000 -0.0004520 3.9954900 0.0000000 0.0000000 0.0000000 3.8991498 -------------------------- Born effective charges -------------------------- 1 Pr 4.3758797 -0.0542447 0.0000000 0.0542447 4.3758797 0.0000000 0.0000000 0.0000000 4.3425526 2 Pr 4.3758797 -0.0542447 0.0000000 0.0542447 4.3758797 0.0000000 0.0000000 0.0000000 4.3425526 3 As 3.9829685 0.1005432 0.0000000 -0.1005432 3.9829685 0.0000000 0.0000000 0.0000000 3.6240758 4 As 3.9829685 0.1005432 0.0000000 -0.1005432 3.9829685 0.0000000 0.0000000 0.0000000 3.6240758 5 O -2.2669679 -0.5203383 0.5252719 -0.4971890 -1.9124562 -0.0049638 0.5614773 0.0511633 -1.9916571 6 O -2.2669679 -0.5203383 -0.5252719 -0.4971890 -1.9124562 0.0049638 -0.5614773 -0.0511633 -1.9916571 7 O -1.9124562 0.4971890 0.0049638 0.5203383 -2.2669679 0.5252719 -0.0511633 0.5614773 -1.9916571 8 O -1.9124562 0.4971890 -0.0049638 0.5203383 -2.2669679 -0.5252719 0.0511633 -0.5614773 -1.9916571 9 O -1.9124562 0.4971890 0.0049638 0.5203383 -2.2669679 0.5252719 -0.0511633 0.5614773 -1.9916571 10 O -1.9124562 0.4971890 -0.0049638 0.5203383 -2.2669679 -0.5252719 0.0511633 -0.5614773 -1.9916571 11 O -2.2669679 -0.5203383 0.5252719 -0.4971890 -1.9124562 -0.0049638 0.5614773 0.0511633 -1.9916571 12 O -2.2669679 -0.5203383 -0.5252719 -0.4971890 -1.9124562 0.0049638 -0.5614773 -0.0511633 -1.9916571 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.581 Solver_block: 200 / 240 - Time: 0.558 Solver_block: 240 / 240 - Time: 0.281 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.436 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:18:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:18:14]------------------------- 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 -2.565434860000000 2.565434860000000 5.812637115000000 b 2.565434860000000 -2.565434860000000 5.812637115000000 c 2.565434860000000 2.565434860000000 -5.812637115000000 Atomic positions (fractional): 1 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 2 Pr 0.50000000000000 0.50000000000000 0.00000000000000 140.908 3 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 4 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 5 O 0.80803126789264 0.41795358668570 0.88191413495206 15.999 6 O 0.21396054826635 0.32388286705942 0.38191413495206 15.999 7 O 0.16795358668570 0.78603945173365 0.10992231879306 15.999 8 O 0.07388286705942 0.19196873210736 0.60992231879306 15.999 9 O 0.58204641331430 0.46396054826636 0.39007768120694 15.999 10 O 0.67611713294058 0.05803126789264 0.89007768120694 15.999 11 O 0.94196873210736 0.83204641331430 0.61808586504794 15.999 12 O 0.53603945173365 0.92611713294058 0.11808586504794 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.261739439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.261739439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.625274230000000 Atomic positions (fractional): 1 Pr 0.25000000000000 0.00000000000000 0.25000000000000 140.908 > 1 2 Pr 0.75000000000000 0.00000000000000 0.25000000000000 140.908 > 1 3 Pr 0.25000000000000 0.50000000000000 0.25000000000000 140.908 > 1 4 Pr 0.75000000000000 0.50000000000000 0.25000000000000 140.908 > 1 5 Pr 0.25000000000000 0.25000000000000 0.00000000000000 140.908 > 5 6 Pr 0.75000000000000 0.25000000000000 0.00000000000000 140.908 > 5 7 Pr 0.25000000000000 0.75000000000000 0.00000000000000 140.908 > 5 8 Pr 0.75000000000000 0.75000000000000 0.00000000000000 140.908 > 5 9 Pr 0.00000000000000 0.25000000000000 0.75000000000000 140.908 > 1 10 Pr 0.50000000000000 0.25000000000000 0.75000000000000 140.908 > 1 11 Pr 0.00000000000000 0.75000000000000 0.75000000000000 140.908 > 1 12 Pr 0.50000000000000 0.75000000000000 0.75000000000000 140.908 > 1 13 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 5 14 Pr 0.50000000000000 0.00000000000000 0.50000000000000 140.908 > 5 15 Pr 0.00000000000000 0.50000000000000 0.50000000000000 140.908 > 5 16 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 > 5 17 As 0.00000000000000 0.25000000000000 0.25000000000000 74.922 > 17 18 As 0.50000000000000 0.25000000000000 0.25000000000000 74.922 > 17 19 As 0.00000000000000 0.75000000000000 0.25000000000000 74.922 > 17 20 As 0.50000000000000 0.75000000000000 0.25000000000000 74.922 > 17 21 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 21 22 As 0.50000000000000 0.00000000000000 0.00000000000000 74.922 > 21 23 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 21 24 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 21 25 As 0.25000000000000 0.00000000000000 0.75000000000000 74.922 > 17 26 As 0.75000000000000 0.00000000000000 0.75000000000000 74.922 > 17 27 As 0.25000000000000 0.50000000000000 0.75000000000000 74.922 > 17 28 As 0.75000000000000 0.50000000000000 0.75000000000000 74.922 > 17 29 As 0.25000000000000 0.25000000000000 0.50000000000000 74.922 > 21 30 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 > 21 31 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 > 21 32 As 0.75000000000000 0.75000000000000 0.50000000000000 74.922 > 21 33 O 0.12295911343628 0.31799795403975 0.17203535981314 15.999 > 33 34 O 0.62295911343628 0.31799795403975 0.17203535981314 15.999 > 33 35 O 0.12295911343628 0.81799795403975 0.17203535981314 15.999 > 33 36 O 0.62295911343628 0.81799795403975 0.17203535981314 15.999 > 33 37 O 0.12295911343628 0.06799795403975 0.07796464018686 15.999 > 37 38 O 0.62295911343628 0.06799795403975 0.07796464018686 15.999 > 37 39 O 0.12295911343628 0.56799795403975 0.07796464018686 15.999 > 37 40 O 0.62295911343628 0.56799795403975 0.07796464018686 15.999 > 37 41 O 0.18200204596025 0.37295911343628 0.42203535981314 15.999 > 41 42 O 0.68200204596025 0.37295911343628 0.42203535981314 15.999 > 41 43 O 0.18200204596025 0.87295911343628 0.42203535981314 15.999 > 41 44 O 0.68200204596025 0.87295911343628 0.42203535981314 15.999 > 41 45 O 0.43200204596025 0.37295911343628 0.32796464018686 15.999 > 45 46 O 0.93200204596025 0.37295911343628 0.32796464018686 15.999 > 45 47 O 0.43200204596025 0.87295911343628 0.32796464018686 15.999 > 45 48 O 0.93200204596025 0.87295911343628 0.32796464018686 15.999 > 45 49 O 0.06799795403975 0.12704088656372 0.32796464018686 15.999 > 49 50 O 0.56799795403975 0.12704088656372 0.32796464018686 15.999 > 49 51 O 0.06799795403975 0.62704088656372 0.32796464018686 15.999 > 49 52 O 0.56799795403975 0.62704088656372 0.32796464018686 15.999 > 49 53 O 0.31799795403975 0.12704088656372 0.42203535981314 15.999 > 53 54 O 0.81799795403975 0.12704088656372 0.42203535981314 15.999 > 53 55 O 0.31799795403975 0.62704088656372 0.42203535981314 15.999 > 53 56 O 0.81799795403975 0.62704088656372 0.42203535981314 15.999 > 53 57 O 0.37704088656372 0.43200204596025 0.07796464018686 15.999 > 57 58 O 0.87704088656372 0.43200204596025 0.07796464018686 15.999 > 57 59 O 0.37704088656372 0.93200204596025 0.07796464018686 15.999 > 57 60 O 0.87704088656372 0.93200204596025 0.07796464018686 15.999 > 57 61 O 0.37704088656372 0.18200204596025 0.17203535981314 15.999 > 61 62 O 0.87704088656372 0.18200204596025 0.17203535981314 15.999 > 61 63 O 0.37704088656372 0.68200204596025 0.17203535981314 15.999 > 61 64 O 0.87704088656372 0.68200204596025 0.17203535981314 15.999 > 61 65 O 0.37295911343628 0.06799795403975 0.67203535981314 15.999 > 33 66 O 0.87295911343628 0.06799795403975 0.67203535981314 15.999 > 33 67 O 0.37295911343628 0.56799795403975 0.67203535981314 15.999 > 33 68 O 0.87295911343628 0.56799795403975 0.67203535981314 15.999 > 33 69 O 0.37295911343628 0.31799795403975 0.57796464018686 15.999 > 37 70 O 0.87295911343628 0.31799795403975 0.57796464018686 15.999 > 37 71 O 0.37295911343628 0.81799795403975 0.57796464018686 15.999 > 37 72 O 0.87295911343628 0.81799795403975 0.57796464018686 15.999 > 37 73 O 0.43200204596025 0.12295911343628 0.92203535981314 15.999 > 41 74 O 0.93200204596025 0.12295911343628 0.92203535981314 15.999 > 41 75 O 0.43200204596025 0.62295911343628 0.92203535981314 15.999 > 41 76 O 0.93200204596025 0.62295911343628 0.92203535981314 15.999 > 41 77 O 0.18200204596025 0.12295911343628 0.82796464018686 15.999 > 45 78 O 0.68200204596025 0.12295911343628 0.82796464018686 15.999 > 45 79 O 0.18200204596025 0.62295911343628 0.82796464018686 15.999 > 45 80 O 0.68200204596025 0.62295911343628 0.82796464018686 15.999 > 45 81 O 0.31799795403975 0.37704088656372 0.82796464018686 15.999 > 49 82 O 0.81799795403975 0.37704088656372 0.82796464018686 15.999 > 49 83 O 0.31799795403975 0.87704088656372 0.82796464018686 15.999 > 49 84 O 0.81799795403975 0.87704088656372 0.82796464018686 15.999 > 49 85 O 0.06799795403975 0.37704088656372 0.92203535981314 15.999 > 53 86 O 0.56799795403975 0.37704088656372 0.92203535981314 15.999 > 53 87 O 0.06799795403975 0.87704088656372 0.92203535981314 15.999 > 53 88 O 0.56799795403975 0.87704088656372 0.92203535981314 15.999 > 53 89 O 0.12704088656372 0.18200204596025 0.57796464018686 15.999 > 57 90 O 0.62704088656372 0.18200204596025 0.57796464018686 15.999 > 57 91 O 0.12704088656372 0.68200204596025 0.57796464018686 15.999 > 57 92 O 0.62704088656372 0.68200204596025 0.57796464018686 15.999 > 57 93 O 0.12704088656372 0.43200204596025 0.67203535981314 15.999 > 61 94 O 0.62704088656372 0.43200204596025 0.67203535981314 15.999 > 61 95 O 0.12704088656372 0.93200204596025 0.67203535981314 15.999 > 61 96 O 0.62704088656372 0.93200204596025 0.67203535981314 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9954900 0.0004520 0.0000000 -0.0004520 3.9954900 0.0000000 0.0000000 0.0000000 3.8991498 -------------------------- Born effective charges -------------------------- 1 Pr 4.3758797 -0.0542447 0.0000000 0.0542447 4.3758797 0.0000000 0.0000000 0.0000000 4.3425526 2 Pr 4.3758797 -0.0542447 0.0000000 0.0542447 4.3758797 0.0000000 0.0000000 0.0000000 4.3425526 3 As 3.9829685 0.1005432 0.0000000 -0.1005432 3.9829685 0.0000000 0.0000000 0.0000000 3.6240758 4 As 3.9829685 0.1005432 0.0000000 -0.1005432 3.9829685 0.0000000 0.0000000 0.0000000 3.6240758 5 O -2.2669679 -0.5203383 0.5252719 -0.4971890 -1.9124562 -0.0049638 0.5614773 0.0511633 -1.9916571 6 O -2.2669679 -0.5203383 -0.5252719 -0.4971890 -1.9124562 0.0049638 -0.5614773 -0.0511633 -1.9916571 7 O -1.9124562 0.4971890 0.0049638 0.5203383 -2.2669679 0.5252719 -0.0511633 0.5614773 -1.9916571 8 O -1.9124562 0.4971890 -0.0049638 0.5203383 -2.2669679 -0.5252719 0.0511633 -0.5614773 -1.9916571 9 O -1.9124562 0.4971890 0.0049638 0.5203383 -2.2669679 0.5252719 -0.0511633 0.5614773 -1.9916571 10 O -1.9124562 0.4971890 -0.0049638 0.5203383 -2.2669679 -0.5252719 0.0511633 -0.5614773 -1.9916571 11 O -2.2669679 -0.5203383 0.5252719 -0.4971890 -1.9124562 -0.0049638 0.5614773 0.0511633 -1.9916571 12 O -2.2669679 -0.5203383 -0.5252719 -0.4971890 -1.9124562 0.0049638 -0.5614773 -0.0511633 -1.9916571 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (yx) 0.00000004 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:18:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:18:23]------------------------- 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 -2.565434860000000 2.565434860000000 5.812637115000000 b 2.565434860000000 -2.565434860000000 5.812637115000000 c 2.565434860000000 2.565434860000000 -5.812637115000000 Atomic positions (fractional): 1 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 2 Pr 0.50000000000000 0.50000000000000 0.00000000000000 140.908 3 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 4 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 5 O 0.80803126789264 0.41795358668570 0.88191413495206 15.999 6 O 0.21396054826635 0.32388286705942 0.38191413495206 15.999 7 O 0.16795358668570 0.78603945173365 0.10992231879306 15.999 8 O 0.07388286705942 0.19196873210736 0.60992231879306 15.999 9 O 0.58204641331430 0.46396054826636 0.39007768120694 15.999 10 O 0.67611713294058 0.05803126789264 0.89007768120694 15.999 11 O 0.94196873210736 0.83204641331430 0.61808586504794 15.999 12 O 0.53603945173365 0.92611713294058 0.11808586504794 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.261739439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.261739439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.625274230000000 Atomic positions (fractional): 1 Pr 0.25000000000000 0.00000000000000 0.25000000000000 140.908 > 1 2 Pr 0.75000000000000 0.00000000000000 0.25000000000000 140.908 > 1 3 Pr 0.25000000000000 0.50000000000000 0.25000000000000 140.908 > 1 4 Pr 0.75000000000000 0.50000000000000 0.25000000000000 140.908 > 1 5 Pr 0.25000000000000 0.25000000000000 0.00000000000000 140.908 > 5 6 Pr 0.75000000000000 0.25000000000000 0.00000000000000 140.908 > 5 7 Pr 0.25000000000000 0.75000000000000 0.00000000000000 140.908 > 5 8 Pr 0.75000000000000 0.75000000000000 0.00000000000000 140.908 > 5 9 Pr 0.00000000000000 0.25000000000000 0.75000000000000 140.908 > 1 10 Pr 0.50000000000000 0.25000000000000 0.75000000000000 140.908 > 1 11 Pr 0.00000000000000 0.75000000000000 0.75000000000000 140.908 > 1 12 Pr 0.50000000000000 0.75000000000000 0.75000000000000 140.908 > 1 13 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 5 14 Pr 0.50000000000000 0.00000000000000 0.50000000000000 140.908 > 5 15 Pr 0.00000000000000 0.50000000000000 0.50000000000000 140.908 > 5 16 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 > 5 17 As 0.00000000000000 0.25000000000000 0.25000000000000 74.922 > 17 18 As 0.50000000000000 0.25000000000000 0.25000000000000 74.922 > 17 19 As 0.00000000000000 0.75000000000000 0.25000000000000 74.922 > 17 20 As 0.50000000000000 0.75000000000000 0.25000000000000 74.922 > 17 21 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 21 22 As 0.50000000000000 0.00000000000000 0.00000000000000 74.922 > 21 23 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 21 24 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 21 25 As 0.25000000000000 0.00000000000000 0.75000000000000 74.922 > 17 26 As 0.75000000000000 0.00000000000000 0.75000000000000 74.922 > 17 27 As 0.25000000000000 0.50000000000000 0.75000000000000 74.922 > 17 28 As 0.75000000000000 0.50000000000000 0.75000000000000 74.922 > 17 29 As 0.25000000000000 0.25000000000000 0.50000000000000 74.922 > 21 30 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 > 21 31 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 > 21 32 As 0.75000000000000 0.75000000000000 0.50000000000000 74.922 > 21 33 O 0.12295911343628 0.31799795403975 0.17203535981314 15.999 > 33 34 O 0.62295911343628 0.31799795403975 0.17203535981314 15.999 > 33 35 O 0.12295911343628 0.81799795403975 0.17203535981314 15.999 > 33 36 O 0.62295911343628 0.81799795403975 0.17203535981314 15.999 > 33 37 O 0.12295911343628 0.06799795403975 0.07796464018686 15.999 > 37 38 O 0.62295911343628 0.06799795403975 0.07796464018686 15.999 > 37 39 O 0.12295911343628 0.56799795403975 0.07796464018686 15.999 > 37 40 O 0.62295911343628 0.56799795403975 0.07796464018686 15.999 > 37 41 O 0.18200204596025 0.37295911343628 0.42203535981314 15.999 > 41 42 O 0.68200204596025 0.37295911343628 0.42203535981314 15.999 > 41 43 O 0.18200204596025 0.87295911343628 0.42203535981314 15.999 > 41 44 O 0.68200204596025 0.87295911343628 0.42203535981314 15.999 > 41 45 O 0.43200204596025 0.37295911343628 0.32796464018686 15.999 > 45 46 O 0.93200204596025 0.37295911343628 0.32796464018686 15.999 > 45 47 O 0.43200204596025 0.87295911343628 0.32796464018686 15.999 > 45 48 O 0.93200204596025 0.87295911343628 0.32796464018686 15.999 > 45 49 O 0.06799795403975 0.12704088656372 0.32796464018686 15.999 > 49 50 O 0.56799795403975 0.12704088656372 0.32796464018686 15.999 > 49 51 O 0.06799795403975 0.62704088656372 0.32796464018686 15.999 > 49 52 O 0.56799795403975 0.62704088656372 0.32796464018686 15.999 > 49 53 O 0.31799795403975 0.12704088656372 0.42203535981314 15.999 > 53 54 O 0.81799795403975 0.12704088656372 0.42203535981314 15.999 > 53 55 O 0.31799795403975 0.62704088656372 0.42203535981314 15.999 > 53 56 O 0.81799795403975 0.62704088656372 0.42203535981314 15.999 > 53 57 O 0.37704088656372 0.43200204596025 0.07796464018686 15.999 > 57 58 O 0.87704088656372 0.43200204596025 0.07796464018686 15.999 > 57 59 O 0.37704088656372 0.93200204596025 0.07796464018686 15.999 > 57 60 O 0.87704088656372 0.93200204596025 0.07796464018686 15.999 > 57 61 O 0.37704088656372 0.18200204596025 0.17203535981314 15.999 > 61 62 O 0.87704088656372 0.18200204596025 0.17203535981314 15.999 > 61 63 O 0.37704088656372 0.68200204596025 0.17203535981314 15.999 > 61 64 O 0.87704088656372 0.68200204596025 0.17203535981314 15.999 > 61 65 O 0.37295911343628 0.06799795403975 0.67203535981314 15.999 > 33 66 O 0.87295911343628 0.06799795403975 0.67203535981314 15.999 > 33 67 O 0.37295911343628 0.56799795403975 0.67203535981314 15.999 > 33 68 O 0.87295911343628 0.56799795403975 0.67203535981314 15.999 > 33 69 O 0.37295911343628 0.31799795403975 0.57796464018686 15.999 > 37 70 O 0.87295911343628 0.31799795403975 0.57796464018686 15.999 > 37 71 O 0.37295911343628 0.81799795403975 0.57796464018686 15.999 > 37 72 O 0.87295911343628 0.81799795403975 0.57796464018686 15.999 > 37 73 O 0.43200204596025 0.12295911343628 0.92203535981314 15.999 > 41 74 O 0.93200204596025 0.12295911343628 0.92203535981314 15.999 > 41 75 O 0.43200204596025 0.62295911343628 0.92203535981314 15.999 > 41 76 O 0.93200204596025 0.62295911343628 0.92203535981314 15.999 > 41 77 O 0.18200204596025 0.12295911343628 0.82796464018686 15.999 > 45 78 O 0.68200204596025 0.12295911343628 0.82796464018686 15.999 > 45 79 O 0.18200204596025 0.62295911343628 0.82796464018686 15.999 > 45 80 O 0.68200204596025 0.62295911343628 0.82796464018686 15.999 > 45 81 O 0.31799795403975 0.37704088656372 0.82796464018686 15.999 > 49 82 O 0.81799795403975 0.37704088656372 0.82796464018686 15.999 > 49 83 O 0.31799795403975 0.87704088656372 0.82796464018686 15.999 > 49 84 O 0.81799795403975 0.87704088656372 0.82796464018686 15.999 > 49 85 O 0.06799795403975 0.37704088656372 0.92203535981314 15.999 > 53 86 O 0.56799795403975 0.37704088656372 0.92203535981314 15.999 > 53 87 O 0.06799795403975 0.87704088656372 0.92203535981314 15.999 > 53 88 O 0.56799795403975 0.87704088656372 0.92203535981314 15.999 > 53 89 O 0.12704088656372 0.18200204596025 0.57796464018686 15.999 > 57 90 O 0.62704088656372 0.18200204596025 0.57796464018686 15.999 > 57 91 O 0.12704088656372 0.68200204596025 0.57796464018686 15.999 > 57 92 O 0.62704088656372 0.68200204596025 0.57796464018686 15.999 > 57 93 O 0.12704088656372 0.43200204596025 0.67203535981314 15.999 > 61 94 O 0.62704088656372 0.43200204596025 0.67203535981314 15.999 > 61 95 O 0.12704088656372 0.93200204596025 0.67203535981314 15.999 > 61 96 O 0.62704088656372 0.93200204596025 0.67203535981314 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9954900 0.0004520 0.0000000 -0.0004520 3.9954900 0.0000000 0.0000000 0.0000000 3.8991498 -------------------------- Born effective charges -------------------------- 1 Pr 4.3758797 -0.0542447 0.0000000 0.0542447 4.3758797 0.0000000 0.0000000 0.0000000 4.3425526 2 Pr 4.3758797 -0.0542447 0.0000000 0.0542447 4.3758797 0.0000000 0.0000000 0.0000000 4.3425526 3 As 3.9829685 0.1005432 0.0000000 -0.1005432 3.9829685 0.0000000 0.0000000 0.0000000 3.6240758 4 As 3.9829685 0.1005432 0.0000000 -0.1005432 3.9829685 0.0000000 0.0000000 0.0000000 3.6240758 5 O -2.2669679 -0.5203383 0.5252719 -0.4971890 -1.9124562 -0.0049638 0.5614773 0.0511633 -1.9916571 6 O -2.2669679 -0.5203383 -0.5252719 -0.4971890 -1.9124562 0.0049638 -0.5614773 -0.0511633 -1.9916571 7 O -1.9124562 0.4971890 0.0049638 0.5203383 -2.2669679 0.5252719 -0.0511633 0.5614773 -1.9916571 8 O -1.9124562 0.4971890 -0.0049638 0.5203383 -2.2669679 -0.5252719 0.0511633 -0.5614773 -1.9916571 9 O -1.9124562 0.4971890 0.0049638 0.5203383 -2.2669679 0.5252719 -0.0511633 0.5614773 -1.9916571 10 O -1.9124562 0.4971890 -0.0049638 0.5203383 -2.2669679 -0.5252719 0.0511633 -0.5614773 -1.9916571 11 O -2.2669679 -0.5203383 0.5252719 -0.4971890 -1.9124562 -0.0049638 0.5614773 0.0511633 -1.9916571 12 O -2.2669679 -0.5203383 -0.5252719 -0.4971890 -1.9124562 0.0049638 -0.5614773 -0.0511633 -1.9916571 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 10 40 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 4 4 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: 0.78, Number of G-points: 293, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/131) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 131 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 3.542 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 -0.000 0.000) 0.000 3.876 ( 0.000 -0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 -0.000 0.000) 0.000 5.291 ( -0.000 0.000 -0.000) 0.000 5.291 ( 0.000 0.000 -0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 -0.000 0.000) 0.000 8.103 ( 0.000 -0.000 -0.000) 0.000 8.708 ( 0.000 -0.000 0.000) 0.000 8.708 ( 0.000 0.000 -0.000) 0.000 8.742 ( 0.000 0.000 -0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 -0.000) 0.000 11.220 ( 0.000 -0.000 -0.000) 0.000 11.220 ( 0.000 -0.000 -0.000) 0.000 12.565 ( 0.000 -0.000 0.000) 0.000 12.565 ( 0.000 -0.000 -0.000) 0.000 13.438 ( 0.000 -0.000 0.000) 0.000 13.532 ( 0.000 0.000 -0.000) 0.000 13.897 ( -0.000 0.000 0.000) 0.000 21.781 ( 0.000 -0.000 -0.000) 0.000 22.113 ( 0.000 -0.000 -0.000) 0.000 22.113 ( 0.000 -0.000 0.000) 0.000 22.230 ( 0.000 -0.000 0.000) 0.000 22.335 ( 0.000 -0.000 -0.000) 0.000 22.335 ( 0.000 0.000 -0.000) 0.000 23.624 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/131) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 0.000 0.000 0.000) 0.000 3.090 ( -0.000 0.000 0.000) 0.000 3.170 ( -0.000 -0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.794 ( -0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 -0.000) 0.000 4.671 ( -0.000 -0.000 0.000) 0.000 5.166 ( -0.000 0.000 0.000) 0.000 5.292 ( -0.000 0.000 -0.000) 0.000 5.521 ( -0.000 0.000 0.000) 0.000 5.763 ( 0.000 -0.000 0.000) 0.000 5.798 ( -0.000 0.000 0.000) 0.000 6.152 ( -0.000 0.000 -0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 8.159 ( -0.000 -0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.904 ( -0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 11.155 ( -0.000 -0.000 0.000) 0.000 11.230 ( 0.000 0.000 0.000) 0.000 11.726 ( -0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 13.014 ( -0.000 0.000 0.000) 0.000 13.836 ( -0.000 0.000 -0.000) 0.000 13.851 ( 0.000 -0.000 0.000) 0.000 21.597 ( -0.000 0.000 0.000) 0.000 21.665 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 22.459 ( -0.000 0.000 0.000) 0.000 22.844 ( -0.000 0.000 0.000) 0.000 23.800 ( -0.000 0.000 0.000) 0.000 23.809 ( 0.000 0.000 0.000) 0.000 24.907 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/131) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 5.944 -22.847 -2.533) 23.743 2.898 ( -5.050 -10.995 -0.588) 12.113 3.291 ( -0.204 13.897 9.412) 16.785 3.442 ( 2.081 1.290 -4.664) 5.267 3.799 ( -2.941 2.994 2.774) 5.031 4.396 ( -3.204 -19.317 -3.570) 19.903 4.664 ( 5.258 -8.447 -2.300) 10.212 5.004 ( -5.270 0.776 0.799) 5.386 5.091 ( -4.923 -1.047 -1.587) 5.277 5.431 ( -1.693 -11.427 3.111) 11.964 5.759 ( -2.802 0.328 3.163) 4.238 5.862 ( 10.972 -2.161 0.158) 11.184 6.489 ( 6.543 16.637 3.848) 18.287 6.738 ( -7.838 9.964 3.735) 13.216 6.979 ( -0.148 2.941 1.272) 3.208 7.920 ( 1.128 -13.081 -2.216) 13.316 8.430 ( 2.130 8.958 -3.291) 9.778 8.878 ( -0.064 -3.428 5.516) 6.495 9.344 ( -1.886 -5.105 -2.164) 5.857 10.059 ( -1.037 6.043 1.058) 6.222 10.787 ( -12.814 -5.898 -4.660) 14.856 11.571 ( -0.171 16.102 0.421) 16.108 11.853 ( 12.361 -0.789 -0.228) 12.388 12.700 ( -6.569 -1.256 -0.147) 6.690 12.844 ( 7.514 -6.256 2.577) 10.112 13.022 ( 0.250 -0.646 5.356) 5.401 13.806 ( -11.452 9.071 -7.350) 16.354 13.902 ( 2.385 1.812 -1.021) 3.164 21.497 ( -3.331 0.891 -0.292) 3.460 21.955 ( 13.686 6.478 -0.700) 15.158 22.258 ( -5.776 0.643 -4.212) 7.177 22.424 ( -0.956 -2.789 1.686) 3.396 22.825 ( 2.066 -3.212 0.506) 3.852 23.763 ( -2.418 0.060 -0.455) 2.461 23.841 ( 1.905 -0.311 -1.222) 2.284 24.808 ( -7.603 -1.642 5.078) 9.289 ======================= Grid point 4 (4/131) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 41.808 -4.597 -0.000) 42.061 0.882 ( 22.957 22.835 -0.000) 32.380 1.744 ( 32.062 52.446 -0.000) 61.469 3.507 ( -1.609 -2.033 0.000) 2.593 3.735 ( 8.267 8.003 -0.000) 11.506 3.826 ( -2.185 -1.728 0.000) 2.785 4.465 ( 5.728 4.536 -0.000) 7.307 5.172 ( -5.826 -3.942 0.000) 7.035 5.316 ( -0.410 -1.368 0.000) 1.428 5.474 ( 2.769 1.698 -0.000) 3.248 5.790 ( 0.236 6.690 -0.000) 6.694 6.249 ( -3.826 -4.462 0.000) 5.878 6.637 ( 4.018 2.409 -0.000) 4.685 7.248 ( 7.233 1.223 -0.000) 7.335 7.646 ( -12.405 -6.875 0.000) 14.183 7.866 ( -11.012 -11.827 0.000) 16.159 8.579 ( -8.171 -0.742 0.000) 8.205 8.781 ( 8.236 -1.926 0.000) 8.458 8.929 ( 4.798 8.886 -0.000) 10.098 10.231 ( -0.631 -0.432 0.000) 0.765 10.629 ( -11.965 -3.806 0.000) 12.556 11.413 ( 13.453 0.758 -0.000) 13.475 12.439 ( -3.876 -8.286 0.000) 9.147 12.579 ( -2.015 3.213 -0.000) 3.793 13.219 ( 2.775 -2.535 0.000) 3.758 13.411 ( -1.212 -1.480 0.000) 1.913 13.507 ( -3.894 1.886 -0.000) 4.327 13.857 ( -1.804 -2.419 0.000) 3.018 21.739 ( -2.183 -0.539 0.000) 2.249 22.052 ( 2.259 -7.334 0.000) 7.674 22.283 ( -2.486 6.746 -0.000) 7.190 22.305 ( -0.100 -2.463 0.000) 2.465 22.432 ( 3.760 4.422 -0.000) 5.805 23.652 ( 1.319 1.225 -0.000) 1.800 23.862 ( -0.922 -0.755 0.000) 1.191 25.242 ( -3.529 -2.091 0.000) 4.102 ======================= Grid point 5 (5/131) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 36.150 -4.558 -0.000) 36.436 1.783 ( 23.441 22.908 -0.000) 32.775 3.184 ( 20.156 38.485 -0.000) 43.444 3.399 ( -3.436 -3.998 0.000) 5.272 3.777 ( 0.296 1.040 -0.000) 1.081 3.917 ( -0.619 -4.048 0.000) 4.095 4.752 ( 11.214 8.664 -0.000) 14.171 5.078 ( 0.067 0.791 -0.000) 0.794 5.213 ( -2.694 0.789 -0.000) 2.807 5.660 ( 8.264 3.667 -0.000) 9.041 5.716 ( -17.397 -0.965 0.000) 17.423 6.035 ( -6.013 -7.367 0.000) 9.509 6.842 ( 9.126 -13.729 0.000) 16.485 7.180 ( -0.628 7.271 -0.000) 7.298 7.278 ( -16.695 -18.678 0.000) 25.052 7.583 ( 2.724 9.295 -0.000) 9.686 8.373 ( -11.855 0.215 0.000) 11.857 8.907 ( 10.195 -4.958 0.000) 11.337 9.203 ( 2.196 10.230 -0.000) 10.463 10.202 ( -1.493 0.196 0.000) 1.505 10.316 ( -8.762 -7.051 0.000) 11.247 11.687 ( 12.759 0.579 -0.000) 12.772 12.136 ( -5.445 -12.108 0.000) 13.276 12.590 ( -6.141 5.372 -0.000) 8.159 13.179 ( 3.325 -7.952 0.000) 8.619 13.346 ( -1.432 -2.143 0.000) 2.577 13.494 ( -6.179 7.407 -0.000) 9.646 13.737 ( -1.555 -5.981 0.000) 6.180 21.719 ( -4.084 4.731 -0.000) 6.250 21.937 ( 1.838 -8.279 0.000) 8.481 22.269 ( 3.646 -3.597 0.000) 5.122 22.373 ( -2.438 7.107 -0.000) 7.513 22.594 ( 4.916 2.821 -0.000) 5.668 23.707 ( 1.687 1.032 -0.000) 1.978 23.817 ( -1.933 -0.744 0.000) 2.072 25.062 ( -7.803 -5.414 0.000) 9.498 ======================= Grid point 6 (6/131) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 3.758 -20.195 -6.712) 21.611 2.627 ( 6.376 -17.278 -8.842) 20.430 3.278 ( -6.991 -2.383 3.322) 8.099 3.462 ( -9.064 5.132 9.961) 14.412 3.895 ( 4.857 7.569 -4.872) 10.228 4.129 ( 13.820 -13.023 -13.409) 23.246 4.670 ( 5.758 -2.074 9.545) 11.338 4.923 ( -3.342 -6.434 8.361) 11.067 5.070 ( -1.385 3.999 1.876) 4.629 5.219 ( 3.562 -8.478 -2.607) 9.559 5.703 ( -1.116 -0.847 6.135) 6.293 6.022 ( 6.579 -1.386 0.480) 6.740 6.654 ( -11.803 1.708 6.014) 13.356 6.823 ( -13.065 18.051 3.636) 22.578 7.063 ( 11.031 -0.509 4.234) 11.827 7.774 ( 5.268 -8.119 -4.122) 10.520 8.627 ( 3.020 2.983 -4.420) 6.128 8.760 ( -2.517 -1.794 10.738) 11.174 9.286 ( 1.064 0.244 -8.756) 8.824 10.129 ( -3.546 5.763 3.152) 7.464 10.537 ( -6.740 1.144 -12.281) 14.056 11.697 ( -7.491 2.771 5.401) 9.641 12.121 ( 6.582 5.231 -3.770) 9.214 12.546 ( -2.298 -1.330 -1.603) 3.102 12.772 ( 4.042 -11.258 6.758) 13.738 13.093 ( 4.045 1.286 9.067) 10.011 13.734 ( -13.567 8.599 -6.705) 17.406 14.005 ( -1.774 7.697 -6.582) 10.282 21.497 ( -1.043 2.549 2.860) 3.971 22.088 ( -5.174 -1.856 -0.761) 5.550 22.314 ( -2.130 -4.127 1.591) 4.910 22.375 ( 7.542 5.496 -4.550) 10.383 22.868 ( 7.721 -0.241 -6.586) 10.151 23.715 ( -1.583 -0.820 -0.123) 1.787 23.860 ( 0.552 -0.070 -1.716) 1.804 24.616 ( -8.440 0.566 10.549) 13.522 ======================= Grid point 7 (7/131) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 13.303 -3.884 -19.706) 24.091 2.534 ( 18.010 -14.796 -11.219) 25.868 3.289 ( 2.033 7.842 3.443) 8.803 3.358 ( -7.378 3.257 8.390) 11.637 4.026 ( -4.367 -0.317 -7.948) 9.075 4.329 ( 20.630 -3.249 -12.259) 24.217 4.736 ( 0.828 -3.603 11.406) 11.990 4.829 ( 4.803 4.639 17.464) 18.696 5.051 ( 0.617 -4.308 2.064) 4.816 5.253 ( 10.294 -3.417 -3.207) 11.310 5.650 ( -4.105 -0.410 7.364) 8.441 6.039 ( 2.916 -5.606 0.116) 6.321 6.398 ( -11.885 -1.748 3.674) 12.563 6.800 ( -16.396 12.845 3.002) 21.044 7.263 ( 3.664 0.305 1.229) 3.876 7.807 ( 9.995 -3.570 0.433) 10.622 8.542 ( -3.839 -3.258 3.228) 5.981 8.864 ( 2.796 3.688 3.534) 5.823 9.330 ( 2.183 -0.146 -10.112) 10.346 10.205 ( -5.237 8.952 0.072) 10.372 10.549 ( 1.204 6.580 -11.670) 13.451 11.465 ( -11.215 -3.400 5.978) 13.156 12.098 ( -4.294 -6.802 -6.058) 10.070 12.614 ( 4.279 -1.432 6.614) 8.006 12.759 ( 7.513 2.443 1.483) 8.038 13.132 ( 1.301 -3.284 9.073) 9.737 13.636 ( -11.585 7.812 -4.333) 14.630 14.093 ( -5.343 7.015 -8.939) 12.556 21.524 ( -1.850 2.703 4.704) 5.732 21.945 ( -1.581 -6.029 1.017) 6.315 22.215 ( -2.412 0.683 -0.356) 2.532 22.487 ( 1.304 -0.556 -0.688) 1.576 23.001 ( 3.645 -2.868 -15.590) 16.265 23.690 ( -0.183 0.816 0.481) 0.965 23.880 ( 0.863 0.351 -1.648) 1.894 24.595 ( -1.118 7.720 14.259) 16.253 ======================= Grid point 8 (8/131) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 26.720 -3.026 -0.000) 26.891 2.664 ( 22.270 20.728 -0.000) 30.424 3.222 ( -5.072 -5.593 0.000) 7.550 3.570 ( -9.778 -15.718 0.000) 18.511 3.646 ( 1.080 -0.274 0.000) 1.114 4.130 ( 0.865 15.920 -0.000) 15.943 4.930 ( -5.545 -5.815 0.000) 8.035 5.118 ( -12.941 -11.566 0.000) 17.356 5.282 ( 6.588 17.069 -0.000) 18.297 5.494 ( 6.473 14.312 -0.000) 15.707 5.735 ( -8.160 -7.565 0.000) 11.127 5.881 ( 9.322 0.197 -0.000) 9.324 6.536 ( -1.702 -12.297 0.000) 12.414 6.593 ( -14.526 -17.096 0.000) 22.434 7.588 ( 15.670 0.708 -0.000) 15.686 7.893 ( 1.296 19.685 -0.000) 19.728 8.152 ( -12.963 2.538 0.000) 13.209 8.930 ( 6.760 -10.899 0.000) 12.825 9.359 ( -3.348 6.989 -0.000) 7.750 10.009 ( -5.399 -10.586 0.000) 11.884 10.241 ( 2.474 5.011 -0.000) 5.588 11.802 ( -6.012 -10.209 0.000) 11.848 11.927 ( 11.115 0.371 -0.000) 11.121 12.538 ( -8.972 4.951 -0.000) 10.247 13.077 ( 2.532 -7.289 0.000) 7.716 13.260 ( -4.689 -1.685 0.000) 4.982 13.534 ( -6.687 8.855 -0.000) 11.097 13.609 ( 4.288 -8.416 0.000) 9.446 21.728 ( -8.347 7.588 -0.000) 11.281 21.812 ( 1.833 -7.871 0.000) 8.082 22.351 ( 8.772 -0.539 -0.000) 8.788 22.453 ( -2.654 5.947 -0.000) 6.513 22.739 ( 8.426 0.070 -0.000) 8.426 23.750 ( 1.730 -0.094 -0.000) 1.733 23.766 ( -2.850 0.453 0.000) 2.885 24.718 ( -12.572 -9.371 0.000) 15.680 ======================= Grid point 9 (9/131) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 14.918 1.555 -0.000) 14.999 2.944 ( -3.268 -15.227 0.000) 15.574 3.065 ( -8.408 -4.696 0.000) 9.630 3.451 ( -12.656 -13.894 0.000) 18.794 3.492 ( 16.939 15.630 -0.000) 23.048 4.027 ( -7.517 0.747 0.000) 7.554 4.708 ( -6.484 -3.899 0.000) 7.565 4.855 ( -6.277 -1.791 0.000) 6.527 5.514 ( 1.651 -2.075 0.000) 2.651 5.802 ( 0.981 2.725 -0.000) 2.896 5.833 ( 8.378 12.923 -0.000) 15.401 5.940 ( 2.323 -2.953 0.000) 3.757 6.229 ( 0.515 -3.327 0.000) 3.367 6.321 ( -4.823 -3.713 0.000) 6.087 7.770 ( 12.237 -6.503 0.000) 13.858 7.982 ( -12.401 5.471 -0.000) 13.554 8.268 ( -0.640 14.849 -0.000) 14.862 8.738 ( 0.172 -14.044 0.000) 14.045 9.402 ( -1.927 4.349 -0.000) 4.757 9.704 ( -3.972 -10.334 0.000) 11.070 10.541 ( 11.197 11.328 -0.000) 15.928 11.473 ( -10.221 -8.810 0.000) 13.494 12.152 ( 11.220 0.595 -0.000) 11.236 12.467 ( -7.703 4.568 -0.000) 8.956 13.004 ( 1.055 -4.023 0.000) 4.159 13.091 ( -5.938 -3.464 0.000) 6.874 13.567 ( -6.957 8.259 -0.000) 10.799 13.584 ( 7.860 -7.481 0.000) 10.851 21.692 ( -8.353 6.171 -0.000) 10.385 21.713 ( 2.928 -6.813 0.000) 7.416 22.492 ( 3.774 0.143 -0.000) 3.777 22.499 ( -2.620 4.175 -0.000) 4.929 23.025 ( 18.263 3.962 -0.000) 18.688 23.724 ( -4.333 1.938 -0.000) 4.746 23.773 ( 2.027 -1.059 0.000) 2.287 24.224 ( -15.969 -11.666 0.000) 19.776 ======================= Grid point 10 (10/131) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 20.580 1.035 -15.287) 25.657 2.785 ( 19.644 1.881 -10.807) 22.499 3.293 ( -5.534 2.763 5.125) 8.032 3.402 ( -7.771 -0.565 -0.606) 7.815 3.886 ( -3.834 1.240 0.588) 4.072 4.566 ( 5.680 -0.776 0.477) 5.752 4.699 ( 5.283 -11.489 5.071) 13.625 5.070 ( 12.638 6.883 4.989) 15.231 5.117 ( 1.430 5.991 4.325) 7.526 5.452 ( 8.977 3.929 0.079) 9.800 5.568 ( 1.977 -3.310 3.523) 5.223 5.961 ( 2.054 -7.525 -0.976) 7.861 6.172 ( -10.047 2.095 -0.258) 10.266 6.722 ( -12.733 9.026 1.894) 15.722 7.157 ( -8.063 -5.304 -3.329) 10.209 7.984 ( 13.071 -2.867 3.793) 13.909 8.392 ( -8.660 -0.318 2.935) 9.150 8.921 ( 1.147 -1.452 2.559) 3.158 9.381 ( 4.041 -0.176 -5.896) 7.150 10.119 ( -9.124 -0.643 -2.880) 9.589 10.884 ( 6.625 14.751 -3.455) 16.536 11.275 ( -6.239 1.994 3.209) 7.293 11.857 ( -1.892 -9.598 -5.113) 11.039 12.665 ( 2.620 1.016 3.349) 4.372 12.951 ( 6.167 -0.730 0.578) 6.237 13.023 ( -3.296 -3.945 6.997) 8.683 13.652 ( -3.246 9.487 0.290) 10.032 14.039 ( -7.284 0.123 -8.462) 11.166 21.545 ( -2.805 4.829 3.025) 6.351 21.783 ( 1.137 -9.538 1.109) 9.670 22.258 ( -0.496 5.008 0.300) 5.042 22.474 ( 0.160 -1.416 -0.215) 1.441 22.916 ( -0.812 -5.429 -10.250) 11.628 23.734 ( 0.773 2.558 0.236) 2.683 23.868 ( -0.541 -1.892 -1.009) 2.211 24.796 ( 2.254 8.153 8.576) 12.046 ======================= Grid point 13 (11/131) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -3.299 -9.671 0.000) 10.218 2.636 ( 3.299 9.671 -0.000) 10.218 2.987 ( -3.734 -6.510 0.000) 7.504 2.987 ( 3.734 6.510 -0.000) 7.504 3.963 ( -4.580 -5.676 0.000) 7.293 3.963 ( 4.580 5.676 -0.000) 7.293 4.633 ( -3.938 -2.962 0.000) 4.928 4.633 ( 3.938 2.962 -0.000) 4.928 5.642 ( -2.593 -7.434 0.000) 7.873 5.642 ( 2.593 7.434 -0.000) 7.873 6.035 ( 2.111 -3.363 0.000) 3.971 6.035 ( -2.111 3.363 -0.000) 3.971 6.231 ( 4.246 -3.767 0.000) 5.676 6.231 ( -4.246 3.767 -0.000) 5.676 7.870 ( 12.179 -7.134 0.000) 14.114 7.870 ( -12.179 7.134 -0.000) 14.114 8.485 ( 0.707 -11.545 0.000) 11.566 8.485 ( -0.707 11.545 -0.000) 11.566 9.491 ( -1.668 -5.657 0.000) 5.898 9.491 ( 1.668 5.657 -0.000) 5.898 11.033 ( -14.186 -11.368 0.000) 18.179 11.033 ( 14.186 11.368 -0.000) 18.179 12.365 ( -10.360 1.673 0.000) 10.494 12.365 ( 10.360 -1.673 -0.000) 10.494 12.975 ( -0.919 -0.430 0.000) 1.015 12.975 ( 0.919 0.430 -0.000) 1.015 13.586 ( 7.057 -7.548 0.000) 10.333 13.586 ( -7.057 7.548 -0.000) 10.333 21.670 ( 5.455 -5.861 0.000) 8.007 21.670 ( -5.455 5.861 -0.000) 8.007 22.518 ( 2.134 -2.401 0.000) 3.212 22.518 ( -2.134 2.401 -0.000) 3.212 23.527 ( -18.208 -5.960 0.000) 19.159 23.527 ( 18.208 5.960 -0.000) 19.159 23.818 ( -4.762 -2.012 0.000) 5.170 23.818 ( 4.762 2.012 -0.000) 5.170 ======================= Grid point 23 (12/131) ======================= q-point: (-0.23 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 3.070 -27.700 -7.688) 28.911 1.583 ( 17.514 -29.753 -16.550) 38.287 2.632 ( -12.393 -47.146 -25.082) 54.821 3.574 ( -0.562 -2.781 3.833) 4.769 3.667 ( 1.689 -6.103 8.401) 10.520 3.891 ( -0.691 3.205 -5.282) 6.217 4.552 ( -0.500 -7.213 2.655) 7.702 5.034 ( 0.088 -2.509 11.607) 11.875 5.130 ( -3.327 -2.055 5.250) 6.547 5.321 ( 3.525 -3.231 4.619) 6.648 5.736 ( -1.821 5.470 0.730) 5.811 6.083 ( 0.137 6.104 7.320) 9.532 6.561 ( 3.178 4.993 -2.415) 6.392 7.316 ( 1.280 -7.173 6.933) 10.057 7.529 ( -4.208 -2.417 7.131) 8.626 7.627 ( 0.437 16.986 3.478) 17.344 8.686 ( -0.326 5.139 -1.356) 5.325 8.810 ( 0.144 -2.566 -0.850) 2.707 9.113 ( -0.707 1.301 -10.331) 10.436 10.314 ( -0.693 4.959 -9.433) 10.679 10.783 ( -10.000 -1.139 2.351) 10.336 11.351 ( 15.158 -4.243 -2.735) 15.976 12.241 ( 1.843 15.174 0.450) 15.292 12.561 ( -0.954 -14.750 20.186) 25.019 12.679 ( -2.494 -5.740 1.283) 6.388 13.309 ( -0.272 2.663 10.247) 10.591 13.911 ( 2.165 5.489 -6.769) 8.980 14.102 ( -2.000 16.489 -26.006) 30.858 21.705 ( -2.590 5.593 -1.286) 6.296 21.981 ( 8.595 5.525 0.761) 10.246 22.283 ( -3.077 -0.095 -1.357) 3.364 22.394 ( -1.855 -1.892 -0.105) 2.652 22.504 ( -0.992 -5.105 -7.145) 8.837 23.693 ( 0.283 -2.073 -1.504) 2.576 23.851 ( -0.323 0.974 -0.013) 1.026 25.022 ( -0.724 -5.848 17.824) 18.772 ======================= Grid point 24 (13/131) ======================= q-point: ( 0.28 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -6.500 29.298 1.201) 30.035 2.150 ( -16.081 28.154 13.624) 35.169 3.444 ( 9.328 22.289 4.037) 24.497 3.616 ( -2.139 -1.589 0.231) 2.675 3.692 ( 6.428 11.544 2.559) 13.458 3.911 ( -0.887 3.833 0.254) 3.942 4.669 ( 2.903 4.560 -6.453) 8.418 4.988 ( -0.584 -2.119 1.621) 2.731 5.177 ( 1.754 -0.553 -1.855) 2.612 5.447 ( -0.858 10.145 -9.732) 14.085 5.705 ( 1.104 -0.141 -0.631) 1.279 5.972 ( 0.272 -3.862 -6.712) 7.748 6.437 ( -8.389 -7.178 1.971) 11.216 7.212 ( 0.139 -18.147 -4.966) 18.815 7.314 ( 0.744 -13.060 -2.228) 13.270 7.679 ( 3.828 12.795 -0.511) 13.365 8.531 ( 5.313 -9.019 5.440) 11.797 8.832 ( -5.014 0.045 3.061) 5.875 9.261 ( 1.841 12.095 -5.013) 13.221 10.186 ( 1.184 -7.860 5.596) 9.721 10.850 ( 8.470 5.697 -2.238) 10.450 11.439 ( -16.402 4.560 2.775) 17.249 11.904 ( -0.997 -18.182 0.812) 18.227 12.739 ( 2.808 6.146 -6.232) 9.192 12.795 ( 0.439 3.878 -5.597) 6.823 13.230 ( 0.679 -5.133 -6.809) 8.554 13.811 ( -3.590 -3.712 7.276) 8.922 13.892 ( 3.464 -6.675 13.101) 15.105 21.623 ( 4.695 -2.956 -0.055) 5.549 21.865 ( -8.359 -6.108 -1.252) 10.429 22.293 ( 3.201 0.792 0.190) 3.303 22.430 ( 0.856 1.666 -0.003) 1.873 22.606 ( -0.712 5.365 6.804) 8.694 23.735 ( -0.735 2.106 0.993) 2.441 23.831 ( 0.980 -1.016 0.385) 1.463 25.066 ( 1.047 -0.409 -10.588) 10.647 ======================= Grid point 25 (14/131) ======================= q-point: ( 0.28 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -11.684 25.581 9.063) 29.547 2.602 ( 4.470 25.045 5.851) 26.105 3.396 ( -4.347 -9.235 -1.262) 10.284 3.436 ( 0.044 -8.798 -6.814) 11.128 3.845 ( -5.958 -2.776 4.548) 7.993 4.463 ( 8.386 16.212 4.721) 18.853 4.867 ( 8.148 -1.447 -4.218) 9.289 4.959 ( -4.494 8.799 5.786) 11.450 5.260 ( 5.425 2.881 -3.810) 7.228 5.581 ( -5.832 6.216 -9.991) 13.133 5.697 ( 0.802 -1.372 -5.441) 5.668 5.942 ( -3.753 -1.301 -0.011) 3.972 6.167 ( 2.301 -8.481 0.124) 8.789 6.734 ( -9.779 -16.615 0.967) 19.303 7.119 ( 4.962 -8.370 0.714) 9.757 8.037 ( 4.784 13.096 -1.658) 14.041 8.450 ( 3.552 -9.067 -1.929) 9.927 8.762 ( -1.332 -0.437 11.318) 11.404 9.481 ( -1.554 7.755 -9.350) 12.247 10.033 ( -0.206 -7.897 4.015) 8.862 10.828 ( -19.298 7.093 2.096) 20.667 11.383 ( 3.632 -3.413 -6.640) 8.302 11.716 ( 7.338 -2.634 7.534) 10.842 12.755 ( 0.620 -2.721 -4.507) 5.301 12.957 ( 0.904 5.125 0.116) 5.205 13.138 ( 3.033 -6.386 -3.449) 7.866 13.666 ( -10.137 0.898 -0.864) 10.214 13.842 ( 1.503 -1.842 8.694) 9.013 21.620 ( -3.103 -4.048 -3.493) 6.182 21.803 ( 11.471 1.726 -0.600) 11.615 22.284 ( -6.006 1.564 -2.166) 6.573 22.466 ( 1.387 -0.159 0.568) 1.507 22.692 ( 1.629 1.790 9.625) 9.925 23.742 ( -1.519 1.225 -0.438) 2.000 23.848 ( 1.218 0.254 0.844) 1.503 24.964 ( -7.167 -3.984 -6.285) 10.332 ======================= Grid point 26 (15/131) ======================= q-point: (-0.23 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 12.696 -14.040 -19.126) 26.909 1.168 ( 8.407 -27.947 -20.225) 35.507 2.130 ( 38.874 -27.401 -31.565) 57.082 3.459 ( -1.368 1.149 4.770) 5.093 3.651 ( 7.189 -7.442 7.611) 12.845 3.918 ( -2.006 2.451 -8.089) 8.687 4.464 ( 4.846 -5.012 0.527) 6.992 4.949 ( 12.444 -12.209 22.744) 28.657 5.122 ( -3.563 6.136 4.811) 8.573 5.319 ( 1.243 -3.859 2.630) 4.832 5.878 ( -3.803 5.388 2.915) 7.210 6.160 ( -2.623 2.818 8.354) 9.199 6.665 ( 0.849 -3.329 -2.064) 4.007 7.173 ( 1.178 -3.632 5.803) 6.946 7.434 ( 6.133 -1.530 9.353) 11.288 7.807 ( -9.916 9.496 5.693) 14.863 8.645 ( -2.458 0.993 1.563) 3.078 8.821 ( 5.744 -4.039 3.180) 7.709 9.241 ( -14.747 15.105 -25.518) 33.118 10.370 ( -1.330 1.457 -12.493) 12.648 10.621 ( -3.892 11.660 1.016) 12.334 11.434 ( 0.386 -13.262 -1.903) 13.404 12.315 ( 20.684 -19.053 29.121) 40.483 12.447 ( -7.252 4.374 0.054) 8.469 12.591 ( 2.774 1.219 -0.655) 3.100 13.333 ( -0.459 0.565 12.365) 12.387 13.963 ( -3.846 2.826 -7.918) 9.245 14.342 ( -18.604 19.423 -29.197) 39.697 21.774 ( -4.619 6.824 -2.032) 8.487 22.061 ( -6.803 -3.375 -0.126) 7.595 22.308 ( -2.314 -0.195 -0.714) 2.430 22.348 ( 5.498 3.678 -4.208) 7.840 22.468 ( 5.254 -3.967 -4.886) 8.198 23.667 ( 0.855 -1.035 -1.434) 1.964 23.861 ( -0.401 0.564 0.399) 0.799 24.889 ( 8.440 -7.807 23.033) 25.744 ======================= Grid point 28 (16/131) ======================= q-point: ( 0.28 -0.03 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -5.125 20.430 9.552) 23.128 2.839 ( -3.499 -12.467 2.573) 13.202 3.219 ( 0.724 -1.356 -4.715) 4.959 3.459 ( 4.980 13.213 -3.424) 14.530 3.645 ( -6.491 -4.524 7.090) 10.625 4.439 ( -10.086 -11.637 1.288) 15.454 4.796 ( -2.671 -3.434 4.562) 6.304 5.026 ( -5.100 0.605 -4.262) 6.673 5.288 ( 4.243 -10.999 -8.727) 14.668 5.568 ( -7.973 8.292 -0.915) 11.540 5.737 ( 9.088 -2.966 -3.239) 10.093 5.982 ( 3.179 3.515 4.138) 6.292 6.192 ( 5.026 0.662 1.207) 5.211 6.376 ( -9.120 2.408 2.425) 9.739 7.158 ( 10.655 -6.180 0.431) 12.325 8.271 ( 2.894 -3.836 -5.982) 7.672 8.343 ( -0.580 2.016 -1.232) 2.433 8.738 ( -0.958 -0.977 11.855) 11.934 9.498 ( -2.608 0.459 -9.432) 9.797 9.916 ( -2.168 -1.605 5.624) 6.237 10.616 ( -11.489 5.396 -0.497) 12.702 11.404 ( 0.998 1.106 -3.392) 3.704 11.929 ( 7.335 5.322 3.992) 9.902 12.717 ( 0.039 -2.841 -4.118) 5.004 12.939 ( -0.276 -1.135 4.093) 4.256 13.138 ( 5.055 -8.698 -0.514) 10.073 13.480 ( -13.597 6.933 -2.335) 15.440 13.869 ( -0.544 2.833 1.897) 3.453 21.506 ( -0.496 -3.717 -1.641) 4.093 22.128 ( 1.402 -1.222 0.728) 1.997 22.204 ( 3.851 9.940 -6.615) 12.546 22.460 ( 1.121 -2.883 -0.517) 3.136 22.757 ( 4.062 1.160 10.369) 11.197 23.732 ( -1.076 0.390 -0.829) 1.413 23.880 ( 0.271 1.409 0.131) 1.441 24.649 ( -14.251 -6.157 -2.546) 15.732 ======================= Grid point 29 (17/131) ======================= q-point: (-0.72 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -1.285 -7.208 0.375) 7.331 2.760 ( 0.459 11.881 8.692) 14.728 3.167 ( 0.695 -3.225 -4.279) 5.403 3.300 ( -12.903 -5.966 -2.236) 14.390 3.900 ( 6.816 6.540 -2.972) 9.903 4.178 ( -3.664 10.408 2.933) 11.417 4.701 ( -5.480 -1.632 5.066) 7.639 4.816 ( -9.987 -3.441 -1.728) 10.704 5.130 ( 11.636 -16.872 -0.351) 20.498 5.595 ( 0.647 -1.085 2.590) 2.881 5.837 ( 11.025 -5.243 -6.821) 13.985 6.051 ( -0.817 2.671 2.571) 3.796 6.304 ( -5.564 4.697 1.050) 7.357 6.346 ( -2.278 3.470 4.613) 6.206 7.265 ( 11.549 -4.587 0.917) 12.460 8.137 ( 2.840 -9.873 -4.947) 11.403 8.417 ( -6.582 7.150 2.398) 10.010 8.685 ( 0.034 -0.994 5.316) 5.408 9.498 ( 0.310 2.811 -9.500) 9.912 9.855 ( -6.400 4.254 5.288) 9.328 10.644 ( 3.344 4.032 -6.025) 7.983 11.347 ( -8.921 -1.173 4.442) 10.034 12.178 ( 4.720 8.003 -1.243) 9.374 12.646 ( -1.269 -3.063 -5.919) 6.784 12.927 ( -0.933 -10.173 2.234) 10.457 12.992 ( 3.568 0.026 8.511) 9.228 13.428 ( -8.163 6.428 -2.949) 10.801 13.922 ( -2.904 6.060 -1.806) 6.959 21.449 ( 0.964 -2.837 1.069) 3.181 21.995 ( -6.915 0.722 -0.294) 6.959 22.363 ( 1.054 -5.360 1.534) 5.674 22.511 ( 3.216 1.581 -4.006) 5.375 23.052 ( 14.618 10.862 0.198) 18.213 23.721 ( 0.132 -0.414 -0.786) 0.898 23.898 ( -1.147 0.454 -1.379) 1.851 24.223 ( -16.966 -3.525 3.598) 17.698 ======================= Grid point 30 (18/131) ======================= q-point: (-0.23 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 29.923 9.452 1.194) 31.403 2.404 ( 27.206 3.387 -6.730) 28.230 3.395 ( 22.526 8.042 -11.112) 26.374 3.514 ( 13.053 -6.738 -5.875) 15.821 3.721 ( -8.431 4.553 3.360) 10.154 3.873 ( 0.644 -5.118 4.134) 6.611 4.708 ( 3.555 7.068 5.833) 9.830 5.008 ( 1.183 2.287 -0.748) 2.681 5.122 ( -2.631 -3.697 2.482) 5.172 5.393 ( 3.030 -5.676 7.894) 10.185 5.772 ( 2.479 5.347 -1.504) 6.083 5.954 ( -6.010 -1.242 4.408) 7.556 6.717 ( -0.578 18.418 2.052) 18.541 7.100 ( -13.668 -10.460 6.610) 18.437 7.189 ( -14.845 -11.029 1.465) 18.551 7.659 ( 11.153 1.401 0.386) 11.247 8.425 ( -9.176 -4.532 -12.486) 16.144 8.946 ( 0.422 5.744 4.604) 7.374 9.217 ( 10.867 -2.452 2.835) 11.495 10.159 ( -7.078 -1.244 -4.118) 8.283 10.594 ( 6.331 -14.196 -1.245) 15.594 11.751 ( 4.744 10.536 -0.257) 11.557 11.947 ( -18.185 3.751 -0.463) 18.574 12.622 ( 3.581 -7.125 -0.309) 7.980 12.872 ( 6.098 6.401 12.474) 15.289 13.222 ( -5.327 0.319 6.625) 8.507 13.747 ( -9.068 -8.836 -16.553) 20.840 13.868 ( -0.887 0.045 -3.879) 3.979 21.559 ( -4.453 -1.502 0.665) 4.746 22.078 ( -6.699 12.346 -0.229) 14.048 22.175 ( 0.779 -7.479 -3.172) 8.162 22.399 ( 3.429 -2.120 1.378) 4.260 22.668 ( 6.538 4.466 -3.495) 8.655 23.738 ( 1.998 -0.476 -0.286) 2.073 23.817 ( -1.242 -0.372 -1.244) 1.797 24.983 ( -1.852 -6.964 9.018) 11.544 ======================= Grid point 31 (19/131) ======================= q-point: (-0.23 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 23.171 -5.237 4.209) 24.126 2.846 ( 18.141 7.957 -1.956) 19.905 3.305 ( -2.742 -7.603 -1.759) 8.271 3.515 ( -12.057 -8.035 12.013) 18.821 3.791 ( 1.049 3.091 -0.713) 3.341 4.103 ( 13.876 -3.439 -11.762) 18.512 4.741 ( -7.680 5.454 -1.240) 9.501 4.894 ( -8.606 -5.463 -1.188) 10.263 5.187 ( 1.269 7.651 7.995) 11.139 5.453 ( 10.487 3.728 -1.836) 11.280 5.772 ( -0.627 -5.444 2.963) 6.230 6.006 ( 5.249 6.240 -1.679) 8.325 6.538 ( -17.299 -9.633 3.024) 20.030 6.608 ( -11.642 -10.311 0.792) 15.572 7.277 ( 4.420 16.275 10.651) 19.946 7.894 ( 10.414 1.120 -1.530) 10.585 8.228 ( -7.658 0.981 -16.461) 18.181 8.984 ( -3.984 1.166 4.413) 6.059 9.355 ( 10.285 -5.043 5.005) 12.501 10.063 ( -2.372 0.353 -0.566) 2.464 10.452 ( 6.883 -12.234 -2.535) 14.265 11.592 ( -16.463 0.246 1.532) 16.536 12.046 ( 3.849 6.753 0.302) 7.779 12.537 ( 2.302 -6.295 -1.885) 6.963 13.064 ( 2.338 3.426 4.686) 6.258 13.162 ( -6.259 5.964 3.412) 9.295 13.406 ( -5.632 -10.458 -7.385) 13.987 13.869 ( 3.852 -3.393 -1.709) 5.410 21.480 ( -3.761 1.529 0.660) 4.113 22.029 ( -1.104 -6.112 -3.961) 7.367 22.198 ( -4.357 10.058 0.361) 10.967 22.456 ( 3.830 0.198 1.579) 4.147 22.906 ( 9.265 4.570 -0.414) 10.339 23.722 ( -1.063 -1.479 0.217) 1.835 23.822 ( 1.726 0.017 -1.812) 2.503 24.695 ( -7.019 -13.283 3.733) 15.480 ======================= Grid point 32 (20/131) ======================= q-point: (-0.72 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 9.076 6.526 -5.805) 12.596 2.970 ( 3.730 6.579 3.984) 8.548 3.116 ( -2.162 4.035 -3.642) 5.850 3.236 ( 6.455 2.681 -3.944) 8.026 3.970 ( -7.993 -0.445 2.698) 8.447 4.295 ( -11.239 8.317 -7.551) 15.890 4.585 ( -0.961 -1.520 7.005) 7.232 4.717 ( 2.156 7.858 6.138) 10.201 5.155 ( 14.904 -10.024 3.461) 18.291 5.500 ( 2.285 -10.581 -0.506) 10.837 5.944 ( 10.054 -5.023 -6.470) 12.968 6.134 ( 1.350 6.083 1.332) 6.372 6.163 ( -8.015 -1.982 2.595) 8.655 6.324 ( -5.596 1.030 2.680) 6.289 7.407 ( 7.975 -2.608 -2.587) 8.780 8.032 ( 4.585 -7.710 1.377) 9.075 8.323 ( -10.807 2.242 2.982) 11.433 8.766 ( 4.161 3.188 3.840) 6.498 9.560 ( -3.282 4.243 -9.449) 10.865 9.916 ( -1.829 11.387 1.726) 11.661 10.734 ( -2.319 -3.009 -8.707) 9.499 11.132 ( -2.320 -0.257 8.446) 8.763 12.315 ( -2.407 -1.871 -6.484) 7.166 12.535 ( -1.639 -0.019 3.177) 3.575 12.875 ( 7.236 -0.838 -0.076) 7.284 13.066 ( 3.611 -1.030 7.386) 8.286 13.364 ( -7.365 3.359 -2.004) 8.339 13.979 ( -5.231 7.185 -2.875) 9.341 21.423 ( 1.243 -2.063 2.283) 3.318 21.935 ( -2.208 2.504 0.780) 3.429 22.255 ( 1.460 -7.403 0.930) 7.603 22.537 ( 0.107 -0.735 -1.112) 1.337 23.389 ( -1.941 -1.489 -12.631) 12.866 23.667 ( -1.665 -1.520 1.140) 2.526 23.896 ( -0.150 2.242 -1.010) 2.464 24.093 ( 0.919 12.726 10.189) 16.328 ======================= Grid point 33 (21/131) ======================= q-point: ( 0.28 -0.03 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -1.250 12.829 -4.644) 13.701 3.116 ( 0.610 -6.995 -6.404) 9.504 3.273 ( -8.351 1.005 -0.174) 8.413 3.297 ( 9.340 5.179 -9.629) 14.380 3.768 ( 1.213 -2.055 5.349) 5.857 4.324 ( -8.449 17.843 4.904) 20.342 4.725 ( 8.324 5.850 4.507) 11.128 4.743 ( -6.655 -9.172 9.240) 14.622 5.175 ( 2.788 -3.378 -6.837) 8.120 5.456 ( 7.385 -4.275 3.717) 9.307 5.900 ( -9.763 1.618 -4.856) 11.024 6.088 ( 0.606 -6.792 -0.588) 6.845 6.242 ( 11.173 0.064 -2.145) 11.378 6.399 ( 6.062 10.991 1.596) 12.653 7.350 ( -2.779 -10.322 -10.947) 15.301 8.038 ( 4.115 -2.883 15.103) 15.917 8.146 ( -7.369 0.893 0.523) 7.442 8.887 ( 5.166 -1.297 2.206) 5.764 9.546 ( -7.904 5.941 -9.065) 13.414 10.049 ( -1.067 0.207 -0.150) 1.098 10.609 ( -8.807 11.579 -0.141) 14.549 11.284 ( 13.395 -0.654 1.001) 13.449 12.117 ( -3.149 -8.744 -3.354) 9.881 12.579 ( -1.476 5.683 2.079) 6.229 13.021 ( 6.341 -6.897 1.256) 9.452 13.064 ( 3.607 -1.349 1.362) 4.084 13.372 ( -2.424 9.706 1.407) 10.103 13.974 ( -6.551 3.998 -1.907) 7.908 21.426 ( 1.662 -0.208 1.313) 2.129 21.977 ( 3.735 -1.707 2.653) 4.889 22.158 ( -0.051 -2.595 -0.433) 2.631 22.505 ( -1.339 -1.165 -0.987) 2.031 23.102 ( -10.348 -6.692 -4.302) 13.053 23.696 ( 1.261 1.912 0.524) 2.350 23.869 ( -2.730 -0.241 0.505) 2.786 24.544 ( 8.488 15.617 1.188) 17.815 ======================= Grid point 34 (22/131) ======================= q-point: (-0.23 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 0.851 -8.108 1.699) 8.328 3.061 ( -4.692 -9.569 -3.790) 11.311 3.136 ( -4.560 -10.304 8.484) 14.105 3.305 ( 2.916 -0.561 8.788) 9.276 3.812 ( 1.224 1.277 -8.230) 8.418 4.037 ( 13.676 -7.557 0.435) 15.631 4.640 ( -6.434 -2.908 -3.349) 7.815 4.795 ( -3.235 -2.579 -2.436) 4.801 5.349 ( -4.094 11.418 -0.394) 12.136 5.574 ( -6.094 7.795 1.726) 10.044 5.911 ( 12.283 3.334 1.928) 12.873 6.153 ( 0.197 -9.645 -2.126) 9.879 6.175 ( -6.258 1.470 2.553) 6.916 6.292 ( -4.328 1.398 -2.701) 5.290 7.519 ( -3.532 7.455 8.728) 12.010 8.100 ( 10.594 -3.547 -0.733) 11.196 8.152 ( -6.752 7.676 -10.507) 14.660 8.849 ( -4.030 -5.641 0.361) 6.942 9.439 ( 7.729 -3.825 4.926) 9.931 9.913 ( -1.117 -12.534 0.346) 12.589 10.575 ( 10.763 7.179 0.234) 12.939 11.285 ( -13.999 -1.091 -1.318) 14.103 12.234 ( 5.256 3.375 5.227) 8.145 12.492 ( 2.512 -3.124 -4.124) 5.751 13.031 ( -8.065 -1.662 -0.696) 8.264 13.106 ( -0.358 -3.457 -2.039) 4.030 13.296 ( -0.435 4.706 0.484) 4.751 13.868 ( 5.773 -6.612 1.003) 8.834 21.466 ( -3.062 3.582 -0.771) 4.775 21.905 ( 0.962 -5.781 -1.797) 6.130 22.305 ( -3.516 8.707 -0.595) 9.409 22.524 ( 1.614 0.760 1.100) 2.096 23.229 ( 12.057 6.570 4.856) 14.564 23.672 ( -1.612 -0.604 -1.424) 2.234 23.856 ( 2.840 -1.519 -0.528) 3.264 24.222 ( -9.787 -16.697 -1.190) 19.391 ======================= Grid point 35 (23/131) ======================= q-point: ( 0.78 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -5.252 2.717 -0.643) 5.948 2.788 ( -2.613 -10.882 -4.563) 12.086 3.058 ( 9.642 -0.205 4.073) 10.469 3.157 ( 2.693 -6.087 1.789) 6.893 3.969 ( 0.709 0.208 0.116) 0.747 4.105 ( 4.741 -11.157 4.631) 12.977 4.630 ( 0.438 1.657 -4.614) 4.922 4.649 ( 5.105 2.163 -1.861) 5.848 5.386 ( -12.240 12.936 -2.567) 17.993 5.639 ( -3.627 0.963 -0.591) 3.799 6.005 ( 1.494 -2.470 -1.676) 3.338 6.033 ( -7.655 3.965 3.700) 9.381 6.174 ( 6.699 -1.203 -0.819) 6.856 6.340 ( 0.720 -0.232 -2.401) 2.517 7.483 ( -10.668 5.309 0.977) 11.956 8.176 ( 2.390 3.283 8.283) 9.224 8.258 ( 5.043 -0.777 -7.544) 9.108 8.689 ( -0.245 -4.334 -2.714) 5.120 9.486 ( 2.205 -2.988 6.231) 7.254 9.715 ( 6.088 -8.353 -2.356) 10.601 10.802 ( -9.546 2.159 6.186) 11.578 11.160 ( 8.038 2.989 -6.743) 10.909 12.254 ( -3.129 -5.138 2.078) 6.365 12.566 ( 7.118 0.754 3.610) 8.017 12.929 ( -1.945 4.461 -1.807) 5.191 13.034 ( -1.027 -3.002 -5.871) 6.674 13.366 ( -1.133 2.781 0.923) 3.142 13.839 ( 5.363 -6.980 2.146) 9.060 21.487 ( -2.875 4.246 -1.404) 5.316 21.871 ( 5.489 -3.602 0.335) 6.574 22.396 ( -2.261 6.121 -1.290) 6.652 22.542 ( -0.361 -0.259 1.651) 1.710 23.333 ( -12.394 -6.241 4.403) 14.558 23.727 ( 1.500 2.705 1.386) 3.390 23.859 ( 2.542 -0.283 1.172) 2.813 23.911 ( 11.665 -5.290 -6.372) 14.306 ======================= Grid point 36 (24/131) ======================= q-point: ( 0.28 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -27.961 -9.129 -4.016) 29.687 2.845 ( -17.888 -1.386 3.417) 18.264 3.393 ( 7.498 1.762 -1.741) 7.897 3.523 ( 9.504 -4.522 -7.278) 12.796 3.813 ( 4.380 4.053 -0.176) 5.970 4.146 ( -31.281 4.074 12.170) 33.812 4.704 ( 5.022 1.461 0.563) 5.261 4.981 ( 5.079 1.756 1.100) 5.485 5.091 ( -2.552 -0.443 -1.898) 3.211 5.479 ( -2.709 5.389 -0.161) 6.034 5.854 ( -5.331 -7.440 0.096) 9.154 5.880 ( -0.124 4.201 -6.206) 7.495 6.599 ( 15.017 -7.930 -6.383) 18.142 6.793 ( 14.201 7.054 -0.980) 15.887 7.022 ( 0.419 -4.617 -2.445) 5.242 7.896 ( -12.425 1.373 -0.300) 12.504 8.249 ( 8.934 3.174 12.351) 15.570 8.907 ( 3.607 -5.259 -0.052) 6.377 9.456 ( -12.052 4.085 -8.275) 15.180 10.037 ( 4.832 -0.996 2.010) 5.327 10.746 ( -8.907 15.800 0.130) 18.138 11.570 ( 17.951 -1.606 0.128) 18.023 11.847 ( -3.462 -13.815 0.266) 14.245 12.689 ( -2.610 8.714 0.614) 9.117 12.907 ( 2.052 -8.781 -2.988) 9.499 13.134 ( 3.384 0.064 -4.716) 5.805 13.608 ( 4.873 9.516 9.855) 14.540 13.898 ( -3.825 -0.662 -0.215) 3.888 21.490 ( 2.458 2.767 0.323) 3.715 21.942 ( 6.713 -11.151 0.334) 13.020 22.200 ( -1.434 6.788 1.402) 7.079 22.455 ( -2.132 0.046 -1.091) 2.396 22.809 ( -7.708 -5.405 1.426) 9.522 23.759 ( 0.265 2.145 -0.181) 2.169 23.811 ( -1.167 -0.999 1.440) 2.106 24.919 ( 4.621 9.018 -4.511) 11.092 ======================= Grid point 38 (25/131) ======================= q-point: (-0.23 -0.03 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -3.166 -14.472 -6.374) 16.127 2.751 ( 4.656 13.034 -5.079) 14.743 3.207 ( 4.816 0.608 2.327) 5.384 3.378 ( 9.633 -2.357 7.183) 12.245 3.693 ( -8.343 -7.958 -6.409) 13.191 4.157 ( 14.011 6.042 0.580) 15.269 4.746 ( 3.483 3.005 -3.067) 5.529 4.890 ( 8.173 2.642 5.581) 10.243 5.446 ( -9.941 11.642 2.404) 15.497 5.494 ( -0.890 -4.967 -1.371) 5.229 5.912 ( -8.039 -0.766 1.869) 8.289 6.023 ( -1.356 -1.288 -3.135) 3.651 6.218 ( 5.655 -2.691 0.220) 6.267 6.292 ( -3.105 -0.593 -2.333) 3.929 7.375 ( -11.350 5.932 0.812) 12.832 8.244 ( 6.526 -8.766 5.074) 12.049 8.350 ( -2.478 10.427 1.728) 10.856 8.690 ( 3.838 -1.122 -8.764) 9.633 9.457 ( 1.591 -1.740 6.979) 7.366 9.806 ( 8.982 -0.369 -4.652) 10.122 10.557 ( -5.390 -5.314 -0.375) 7.578 11.386 ( 3.263 3.360 2.336) 5.234 12.055 ( -6.000 -3.921 -2.427) 7.567 12.677 ( 4.383 -0.019 4.734) 6.452 12.960 ( -1.745 -1.539 -4.426) 5.001 13.131 ( 6.928 8.443 -0.711) 10.945 13.343 ( -2.178 -1.483 1.911) 3.255 13.822 ( 4.158 -4.216 -0.655) 5.957 21.520 ( -1.872 4.196 1.275) 4.768 21.970 ( 9.276 -2.033 0.274) 9.500 22.396 ( -6.844 -2.741 2.156) 7.681 22.496 ( -2.465 1.108 2.347) 3.580 22.903 ( -11.672 -4.283 -8.583) 15.108 23.724 ( -0.284 -0.010 0.961) 1.003 23.864 ( 1.890 -2.411 -0.508) 3.106 24.330 ( 17.881 6.864 2.662) 19.337 ======================= Grid point 39 (26/131) ======================= q-point: (-0.23 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -0.579 -20.539 -12.128) 23.859 2.777 ( -12.123 -19.452 -3.319) 23.159 3.268 ( 7.671 8.010 1.434) 11.183 3.398 ( 5.738 3.043 5.367) 8.426 3.743 ( 2.714 6.017 -7.345) 9.875 4.517 ( 4.848 -9.731 -1.483) 10.972 4.870 ( 2.795 0.392 -1.807) 3.351 4.980 ( -0.154 4.015 3.528) 5.346 5.359 ( -1.645 -4.365 12.474) 13.318 5.466 ( -1.259 -4.830 3.922) 6.348 5.695 ( -0.920 -0.436 3.670) 3.808 5.945 ( -2.206 -0.638 -7.893) 8.220 6.259 ( -5.486 6.986 1.436) 8.997 6.509 ( 11.964 14.868 -0.392) 19.088 7.264 ( -9.549 4.126 0.566) 10.418 8.100 ( -0.731 -12.560 4.516) 13.367 8.488 ( -1.140 6.772 1.009) 6.941 8.738 ( 1.879 0.252 -11.673) 11.826 9.447 ( 1.908 -4.902 7.996) 9.571 10.001 ( 4.067 6.817 -4.120) 8.944 10.495 ( 11.501 -6.870 -4.110) 14.012 11.458 ( -3.326 6.306 8.378) 11.001 11.875 ( -8.222 0.248 -8.017) 11.487 12.763 ( 2.078 1.218 5.263) 5.788 12.919 ( 1.756 -3.340 -0.698) 3.838 13.241 ( -6.245 2.882 3.021) 7.512 13.451 ( 11.024 3.482 0.374) 11.567 13.835 ( 2.214 -0.564 -6.859) 7.229 21.588 ( 0.310 4.322 4.326) 6.123 22.022 ( -5.374 -7.646 2.379) 9.644 22.162 ( 0.743 1.970 -0.607) 2.192 22.492 ( -1.131 0.397 0.518) 1.306 22.749 ( -3.884 -0.353 -10.984) 11.655 23.720 ( 0.611 -0.725 1.235) 1.557 23.854 ( 0.612 -1.075 -1.508) 1.951 24.761 ( 13.102 5.277 6.284) 15.459 ======================= Grid point 40 (27/131) ======================= q-point: ( 0.28 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -17.873 3.753 20.029) 27.105 1.540 ( -25.733 13.168 12.719) 31.581 2.973 ( -44.359 19.451 17.800) 51.603 3.466 ( -1.719 -6.278 -3.252) 7.277 3.740 ( -0.373 3.512 -6.881) 7.735 3.898 ( -0.253 0.887 5.611) 5.686 4.595 ( -8.049 4.596 -0.714) 9.296 5.053 ( 1.001 -0.735 -5.820) 5.952 5.149 ( -5.454 0.148 -12.457) 13.599 5.308 ( 0.940 1.925 -7.389) 7.694 5.824 ( 1.501 4.422 -4.952) 6.807 6.073 ( 6.010 -1.104 -4.395) 7.527 6.593 ( 7.984 6.403 -0.126) 10.235 7.249 ( -3.872 -5.268 -4.039) 7.685 7.502 ( 10.513 -8.657 -5.573) 14.714 7.586 ( -0.413 -0.992 -0.797) 1.337 8.623 ( 0.454 -4.090 -1.579) 4.408 8.848 ( 3.985 1.237 7.735) 8.789 9.127 ( -4.593 1.557 4.041) 6.313 10.316 ( 4.385 -0.337 9.471) 10.442 10.616 ( -2.342 -19.150 -0.339) 19.296 11.410 ( 1.226 14.957 1.245) 15.058 12.209 ( 14.719 -1.668 0.678) 14.829 12.648 ( -11.050 6.857 -21.170) 24.846 12.685 ( -6.378 -2.001 0.294) 6.691 13.313 ( 1.869 0.135 -9.693) 9.872 13.837 ( 8.485 -5.173 8.040) 12.783 14.053 ( 9.972 -6.128 22.403) 25.277 21.710 ( 2.086 -2.227 -1.745) 3.515 21.927 ( 6.452 2.590 0.128) 6.954 22.272 ( 1.138 -2.193 0.479) 2.517 22.422 ( -2.462 0.718 1.940) 3.216 22.573 ( -4.816 4.283 7.689) 10.033 23.690 ( -1.385 0.086 0.765) 1.584 23.852 ( 0.436 -0.379 0.424) 0.717 25.002 ( -2.945 -2.737 -16.066) 16.562 ======================= Grid point 41 (28/131) ======================= q-point: ( 0.28 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -10.219 28.199 3.546) 30.203 1.800 ( -0.881 33.741 12.643) 36.043 2.735 ( -25.021 33.986 25.772) 49.450 3.464 ( 6.211 1.224 -4.133) 7.560 3.791 ( -5.392 5.688 -8.744) 11.742 3.858 ( 1.285 -3.848 6.089) 7.317 4.596 ( -5.644 7.421 -3.144) 9.839 5.016 ( 2.477 -3.198 -2.914) 4.986 5.112 ( -1.727 4.012 -13.928) 14.597 5.369 ( -0.256 1.096 -4.856) 4.985 5.779 ( -4.584 -3.419 -0.701) 5.761 6.073 ( 1.359 -5.695 -6.050) 8.419 6.712 ( -11.009 1.095 0.826) 11.094 7.237 ( 10.191 -0.442 -10.543) 14.670 7.443 ( 3.863 -1.522 -2.871) 5.048 7.570 ( 4.256 -10.499 -0.884) 11.364 8.593 ( 5.731 -6.645 8.373) 12.129 8.884 ( -3.916 4.134 -5.921) 8.215 9.096 ( -0.169 0.686 8.466) 8.495 10.295 ( 0.876 -6.247 8.058) 10.233 10.519 ( 12.357 0.572 0.917) 12.404 11.631 ( -8.149 7.605 1.331) 11.225 12.269 ( 0.504 -13.696 -0.301) 13.708 12.559 ( 1.677 3.580 -4.019) 5.637 12.685 ( -6.159 12.097 -17.747) 22.343 13.305 ( 0.030 -2.698 -9.743) 10.110 13.896 ( 5.399 -4.045 7.251) 9.904 13.997 ( 6.019 -14.372 23.881) 28.514 21.657 ( 1.607 -5.462 -0.844) 5.756 22.119 ( 3.549 2.038 0.375) 4.110 22.240 ( -7.223 -6.463 4.600) 10.728 22.335 ( 3.555 2.681 -0.586) 4.491 22.555 ( -4.734 5.094 4.246) 8.148 23.697 ( -0.147 1.972 0.944) 2.191 23.843 ( 0.480 -1.219 0.424) 1.377 24.985 ( 2.712 2.001 -14.968) 15.343 ======================= Grid point 42 (29/131) ======================= q-point: (-0.23 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 7.531 -25.017 -13.721) 29.510 2.074 ( -7.702 -28.060 -9.227) 30.526 3.491 ( 6.417 0.365 1.706) 6.650 3.576 ( 0.380 0.752 6.713) 6.766 3.872 ( -5.501 -15.247 -6.124) 17.328 3.911 ( -5.995 -16.037 -8.383) 19.063 4.754 ( -4.388 -7.802 2.637) 9.331 5.005 ( -3.748 4.765 0.598) 6.092 5.200 ( -0.973 -2.126 2.964) 3.775 5.392 ( 3.749 -9.181 16.109) 18.916 5.790 ( -4.267 3.614 4.953) 7.470 5.965 ( 0.662 3.336 0.830) 3.501 6.388 ( -2.255 12.219 -0.461) 12.434 7.108 ( 10.223 19.402 3.016) 22.137 7.270 ( 2.486 6.502 -0.691) 6.995 7.771 ( -4.393 -13.225 1.330) 13.999 8.586 ( 0.312 4.369 2.825) 5.212 8.776 ( 0.507 1.878 -11.578) 11.740 9.295 ( -1.714 -10.332 5.951) 12.046 10.196 ( 0.368 7.825 -5.871) 9.790 10.696 ( 19.633 -5.771 -1.061) 20.491 11.404 ( -9.932 -0.362 1.125) 10.002 11.907 ( -1.343 14.846 -3.098) 15.225 12.770 ( -2.145 -2.051 11.835) 12.201 12.824 ( 0.240 -7.560 0.193) 7.567 13.249 ( -1.581 4.757 5.823) 7.683 13.700 ( 7.133 4.451 -3.515) 9.113 13.913 ( 1.352 5.284 -14.756) 15.732 21.679 ( 0.834 1.739 4.302) 4.714 21.821 ( -5.071 3.769 -0.435) 6.333 22.264 ( 4.619 -0.346 0.382) 4.648 22.456 ( -1.703 -1.146 -1.090) 2.324 22.648 ( -3.823 -2.899 -9.183) 10.361 23.717 ( 0.863 -1.364 -0.033) 1.614 23.846 ( -0.325 0.095 -0.992) 1.048 25.016 ( 5.989 1.193 10.607) 12.239 ======================= Grid point 43 (30/131) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 1.939 -21.807 -7.407) 23.112 2.897 ( 5.793 -19.527 -9.674) 22.549 3.313 ( -1.602 11.874 4.481) 12.792 3.382 ( 1.561 5.144 0.721) 5.424 3.868 ( -3.353 5.060 3.358) 6.937 4.505 ( -7.683 -11.351 3.373) 14.115 4.579 ( 2.729 -11.347 -3.818) 12.279 5.101 ( -3.149 -10.185 0.330) 10.666 5.165 ( -1.855 -0.285 -0.212) 1.888 5.477 ( -1.390 -11.850 6.584) 13.627 5.645 ( 9.910 -0.157 1.576) 10.036 5.832 ( -5.170 -0.800 1.591) 5.468 6.292 ( 10.019 10.223 0.169) 14.315 6.818 ( 0.349 11.796 3.157) 12.216 7.056 ( -5.326 11.178 -1.733) 12.503 7.929 ( -2.066 -13.931 1.384) 14.151 8.399 ( 0.953 8.975 0.161) 9.027 8.888 ( -1.297 -1.822 3.438) 4.101 9.372 ( -0.894 -5.300 -3.149) 6.229 10.090 ( -1.904 8.552 -1.114) 8.832 10.982 ( -5.216 -8.180 -2.033) 9.912 11.458 ( 13.963 11.442 -0.753) 18.068 11.715 ( -2.842 1.245 -2.113) 3.754 12.714 ( 4.138 -2.899 2.669) 5.714 12.848 ( -6.938 -3.558 1.168) 7.884 13.016 ( 0.565 0.320 5.533) 5.571 13.811 ( 6.456 1.375 0.708) 6.639 13.984 ( -5.917 9.361 -9.104) 14.336 21.590 ( -5.151 0.247 -0.288) 5.165 21.722 ( 8.507 4.914 1.287) 9.908 22.318 ( 0.218 0.173 -1.385) 1.412 22.446 ( -1.363 -1.216 0.695) 1.954 22.829 ( -2.721 -1.525 -4.822) 5.743 23.785 ( 2.064 -0.989 -0.627) 2.373 23.824 ( -2.073 0.881 -0.472) 2.301 24.881 ( 0.349 -2.693 6.767) 7.292 ======================= Grid point 44 (31/131) ======================= q-point: ( 0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.043 31.911 -0.000) 31.911 0.676 ( -35.608 34.212 -0.000) 49.380 1.192 ( 20.330 60.267 -0.000) 63.603 3.567 ( -0.496 2.292 -0.000) 2.345 3.609 ( 0.320 6.496 -0.000) 6.504 3.869 ( 0.252 -0.867 0.000) 0.903 4.421 ( -0.706 6.178 -0.000) 6.219 5.241 ( 1.354 -4.973 0.000) 5.154 5.301 ( -1.181 0.465 -0.000) 1.270 5.458 ( -0.221 -0.543 0.000) 0.586 5.655 ( 3.008 -2.244 0.000) 3.753 6.284 ( -0.253 -4.763 0.000) 4.770 6.597 ( -0.366 -1.639 0.000) 1.679 7.201 ( -2.376 6.942 -0.000) 7.338 7.816 ( 2.031 -5.069 0.000) 5.460 7.981 ( -0.287 -11.962 0.000) 11.965 8.637 ( 4.851 -4.150 0.000) 6.383 8.741 ( -6.615 2.822 -0.000) 7.192 8.854 ( 2.196 8.303 -0.000) 8.589 10.235 ( 0.054 -0.649 0.000) 0.651 10.822 ( 9.409 -1.306 -0.000) 9.499 11.250 ( -11.660 2.849 -0.000) 12.003 12.481 ( -1.473 -8.555 0.000) 8.681 12.590 ( 1.688 2.583 -0.000) 3.085 13.185 ( -2.000 -2.610 0.000) 3.288 13.424 ( -0.073 -1.429 0.000) 1.430 13.535 ( 2.201 0.365 -0.000) 2.231 13.879 ( -0.158 -1.714 0.000) 1.721 21.752 ( 0.454 -2.749 0.000) 2.786 22.075 ( -6.409 -3.456 0.000) 7.281 22.246 ( 6.223 1.318 -0.000) 6.361 22.346 ( -3.139 1.092 -0.000) 3.324 22.364 ( 2.672 2.844 -0.000) 3.903 23.639 ( -0.024 1.466 -0.000) 1.466 23.870 ( 0.043 -0.810 0.000) 0.811 25.285 ( 0.743 -1.004 0.000) 1.249 ======================= Grid point 45 (32/131) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 4.350 21.903 -0.000) 22.330 1.398 ( 15.018 28.700 -0.000) 32.392 2.766 ( 22.597 51.119 -0.000) 55.891 3.500 ( -6.885 0.933 0.000) 6.948 3.796 ( -2.176 -2.304 0.000) 3.169 3.860 ( 5.742 3.585 -0.000) 6.770 4.598 ( 4.175 8.585 -0.000) 9.546 5.101 ( -2.224 -3.738 0.000) 4.350 5.260 ( -1.454 -2.854 0.000) 3.203 5.522 ( 5.162 3.125 -0.000) 6.034 5.843 ( 7.100 0.751 -0.000) 7.139 6.115 ( -3.409 -8.525 0.000) 9.181 6.594 ( 9.909 -7.609 0.000) 12.493 7.298 ( -6.799 2.971 -0.000) 7.420 7.549 ( -10.485 -19.751 0.000) 22.362 7.612 ( -5.414 3.149 -0.000) 6.263 8.593 ( -10.305 1.552 0.000) 10.421 8.724 ( 8.530 -3.935 0.000) 9.394 9.133 ( 4.318 11.812 -0.000) 12.576 10.208 ( -0.048 -2.328 0.000) 2.328 10.620 ( -20.809 1.728 0.000) 20.880 11.397 ( 16.292 -0.571 -0.000) 16.302 12.199 ( -2.080 -15.429 0.000) 15.569 12.681 ( -2.083 6.663 -0.000) 6.981 13.112 ( 2.912 -7.078 0.000) 7.653 13.366 ( -0.957 -3.079 0.000) 3.225 13.574 ( -1.733 4.059 -0.000) 4.413 13.791 ( -3.295 -4.064 0.000) 5.232 21.739 ( 1.826 0.551 -0.000) 1.907 21.915 ( -0.398 -6.730 0.000) 6.742 22.272 ( -3.864 -0.797 0.000) 3.945 22.376 ( 2.546 3.188 -0.000) 4.080 22.508 ( 4.108 3.234 -0.000) 5.228 23.682 ( 0.773 1.804 -0.000) 1.962 23.845 ( -0.835 -0.825 0.000) 1.174 25.202 ( -5.894 -2.408 0.000) 6.367 ======================= Grid point 46 (33/131) ======================= q-point: (-0.45 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 5.847 -23.181 -9.512) 25.730 2.577 ( 1.771 -20.914 -8.250) 22.553 3.385 ( -2.337 -2.972 4.726) 6.052 3.548 ( 0.810 7.079 8.863) 11.372 3.874 ( -3.399 -0.928 -5.248) 6.321 3.929 ( 2.973 -21.088 -18.362) 28.120 4.519 ( 7.115 -4.940 8.646) 12.239 4.973 ( -0.852 -5.562 7.406) 9.301 5.098 ( -3.287 -2.811 -2.784) 5.144 5.262 ( -3.616 -0.774 3.821) 5.317 5.695 ( 2.802 -4.578 6.617) 8.520 5.871 ( 6.944 1.034 4.562) 8.373 6.685 ( 11.783 4.528 1.115) 12.672 6.931 ( -8.251 7.901 8.280) 14.109 7.146 ( -11.697 12.637 2.235) 17.365 7.684 ( 3.567 -10.576 -2.310) 11.398 8.583 ( 1.681 6.384 -0.915) 6.664 8.787 ( -1.036 -5.264 9.155) 10.612 9.289 ( -0.997 0.655 -10.195) 10.264 10.203 ( -4.308 8.247 1.849) 9.486 10.705 ( -9.530 -2.345 -10.504) 14.375 11.753 ( 4.047 -1.574 0.540) 4.375 11.952 ( 8.100 14.438 0.204) 16.556 12.610 ( -1.113 -9.509 2.453) 9.883 12.697 ( 0.393 -6.742 2.995) 7.388 13.042 ( 1.165 1.868 9.469) 9.722 13.931 ( -3.025 5.243 -4.522) 7.555 14.065 ( -6.862 13.016 -9.628) 17.584 21.539 ( -3.351 3.434 1.095) 4.922 22.073 ( 10.388 4.766 0.593) 11.444 22.284 ( -2.240 2.360 -6.353) 7.138 22.364 ( -2.716 -2.909 1.642) 4.305 22.763 ( 2.468 -2.976 -4.895) 6.238 23.752 ( -1.950 -1.078 -0.947) 2.421 23.842 ( 1.157 0.200 -0.852) 1.451 24.752 ( -4.982 -4.312 11.264) 13.050 ======================= Grid point 47 (34/131) ======================= q-point: (-0.45 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 10.012 -11.031 -18.609) 23.837 2.239 ( 10.690 -20.844 -16.111) 28.430 3.273 ( -1.061 2.024 5.575) 6.025 3.484 ( -3.940 -3.052 7.793) 9.251 3.858 ( 24.699 -12.526 -16.768) 32.374 4.039 ( 1.491 4.535 -7.939) 9.263 4.645 ( 11.776 -2.350 10.547) 15.983 4.790 ( -3.709 -4.634 12.104) 13.481 4.987 ( 3.446 -5.375 -0.531) 6.407 5.235 ( -5.585 3.236 1.651) 6.662 5.697 ( 0.398 -1.036 10.138) 10.198 5.969 ( 4.480 -3.428 5.561) 7.922 6.632 ( -11.222 -3.159 5.469) 12.878 7.071 ( -2.521 4.077 4.168) 6.352 7.163 ( -2.580 12.999 4.735) 14.073 7.645 ( 6.552 -5.225 -2.246) 8.677 8.582 ( -1.271 -3.186 2.041) 3.991 8.808 ( 3.120 2.455 6.872) 7.937 9.327 ( -2.180 3.924 -14.245) 14.935 10.281 ( -3.397 10.068 3.229) 11.106 10.587 ( -4.456 3.762 -16.309) 17.320 11.651 ( -6.514 -7.124 1.835) 9.826 12.200 ( -5.280 1.887 -1.833) 5.899 12.481 ( 9.150 -8.053 9.223) 15.285 12.640 ( 4.213 0.955 0.146) 4.322 13.094 ( 2.176 -1.061 10.786) 11.054 13.881 ( -12.246 6.554 -6.762) 15.448 14.201 ( -6.164 11.439 -9.203) 15.923 21.566 ( -2.704 4.682 3.074) 6.220 22.019 ( -5.458 -5.285 0.579) 7.619 22.267 ( -2.834 -0.105 -0.135) 2.839 22.444 ( 3.365 1.340 -1.840) 4.063 22.875 ( 8.807 0.051 -14.048) 16.580 23.703 ( -1.094 -0.065 -0.483) 1.198 23.859 ( 1.104 -0.084 -0.468) 1.202 24.620 ( -1.210 -0.164 15.643) 15.691 ======================= Grid point 48 (35/131) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 16.391 12.795 -0.000) 20.794 2.262 ( 18.413 25.553 -0.000) 31.496 3.347 ( -7.867 -1.798 0.000) 8.070 3.652 ( -0.981 2.783 -0.000) 2.951 3.745 ( -7.524 -12.396 0.000) 14.501 4.010 ( 10.028 28.291 -0.000) 30.016 4.924 ( 12.181 7.486 -0.000) 14.297 4.998 ( -1.411 -6.874 0.000) 7.017 5.361 ( 6.383 10.916 -0.000) 12.645 5.660 ( -22.093 -4.100 0.000) 22.470 5.711 ( 7.622 2.072 -0.000) 7.899 5.868 ( -4.423 -8.887 0.000) 9.927 6.498 ( 5.267 -15.783 0.000) 16.638 6.882 ( -14.476 -21.067 0.000) 25.561 7.309 ( 10.416 1.815 -0.000) 10.573 7.859 ( 2.492 17.438 -0.000) 17.615 8.401 ( -12.254 2.176 0.000) 12.446 8.784 ( 7.768 -7.527 0.000) 10.816 9.398 ( -0.244 9.481 -0.000) 9.484 10.110 ( -2.567 -8.117 0.000) 8.514 10.314 ( -12.399 4.995 -0.000) 13.368 11.692 ( 13.117 0.825 -0.000) 13.143 11.859 ( -0.906 -15.012 0.000) 15.039 12.728 ( -8.735 7.761 -0.000) 11.685 13.019 ( 3.243 -7.854 0.000) 8.498 13.302 ( 0.393 -2.059 0.000) 2.096 13.601 ( -3.732 -7.718 0.000) 8.573 13.633 ( -3.251 6.587 -0.000) 7.346 21.782 ( 1.055 -7.613 0.000) 7.686 21.850 ( -1.638 8.596 -0.000) 8.750 22.205 ( 3.063 -2.964 0.000) 4.262 22.474 ( 0.686 3.539 -0.000) 3.605 22.621 ( 4.334 -0.039 -0.000) 4.334 23.725 ( 0.792 0.815 -0.000) 1.136 23.813 ( -1.827 0.386 0.000) 1.867 24.955 ( -11.371 -5.726 0.000) 12.732 ======================= Grid point 49 (36/131) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 14.715 10.322 -0.000) 17.974 2.966 ( 5.500 -2.553 0.000) 6.064 3.191 ( 0.486 12.007 -0.000) 12.016 3.307 ( -7.349 -7.608 0.000) 10.578 3.597 ( -2.753 -4.731 0.000) 5.474 4.293 ( -15.585 -1.003 0.000) 15.617 4.815 ( -4.004 -5.836 0.000) 7.077 4.967 ( -5.553 -1.965 0.000) 5.891 5.454 ( 2.491 -1.469 0.000) 2.892 5.695 ( 9.181 -0.325 -0.000) 9.187 5.746 ( 0.382 10.808 -0.000) 10.815 5.871 ( 3.957 4.074 -0.000) 5.680 6.307 ( -7.854 -10.849 0.000) 13.394 6.353 ( 1.697 -6.942 0.000) 7.147 7.522 ( 13.149 -5.698 0.000) 14.330 8.222 ( -11.998 4.148 -0.000) 12.695 8.258 ( 2.002 15.628 -0.000) 15.756 8.701 ( 3.141 -12.039 0.000) 12.442 9.479 ( -4.736 5.272 -0.000) 7.086 9.819 ( -7.513 -7.884 0.000) 10.891 10.382 ( 3.984 8.558 -0.000) 9.440 11.592 ( -2.384 -10.471 0.000) 10.739 11.944 ( 10.236 2.128 -0.000) 10.455 12.655 ( -10.889 6.187 -0.000) 12.524 12.959 ( 3.362 -4.797 0.000) 5.858 13.230 ( -8.195 -1.833 0.000) 8.398 13.437 ( 6.760 -8.300 0.000) 10.705 13.688 ( -4.982 7.048 -0.000) 8.631 21.665 ( 1.941 -7.191 0.000) 7.448 21.877 ( -10.473 6.872 -0.000) 12.526 22.367 ( 9.926 2.402 -0.000) 10.213 22.534 ( -0.720 2.568 -0.000) 2.667 22.727 ( 11.073 -0.585 -0.000) 11.088 23.744 ( 0.903 -0.403 0.000) 0.989 23.795 ( -2.897 2.465 -0.000) 3.804 24.540 ( -16.036 -9.057 0.000) 18.417 ======================= Grid point 50 (37/131) ======================= q-point: (-0.45 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 18.201 -1.625 -20.804) 27.690 2.349 ( 23.660 -1.315 -15.641) 28.393 3.390 ( -3.604 0.540 8.927) 9.642 3.441 ( 3.105 6.388 4.261) 8.283 3.980 ( -4.484 -3.241 -5.776) 7.999 4.215 ( 28.745 -8.462 -16.466) 34.190 4.597 ( 2.065 -8.090 11.035) 13.838 4.932 ( 5.802 0.985 10.945) 12.427 5.063 ( 4.112 9.751 6.068) 12.199 5.222 ( 5.434 -1.364 -2.753) 6.242 5.624 ( -1.766 -2.612 9.369) 9.886 5.919 ( 1.162 -5.858 3.957) 7.164 6.389 ( -10.776 1.452 0.789) 10.902 7.003 ( -13.632 7.013 5.800) 16.390 7.291 ( -5.017 2.092 -1.335) 5.597 7.731 ( 12.179 -4.346 2.512) 13.173 8.518 ( -4.254 0.623 3.098) 5.299 8.877 ( 3.254 -1.774 5.957) 7.016 9.325 ( 0.208 -0.414 -12.044) 12.053 10.314 ( -9.967 1.526 -2.572) 10.407 10.762 ( 4.829 13.182 -6.976) 15.676 11.389 ( -4.165 -2.511 0.206) 4.868 11.972 ( -10.032 -5.232 -2.114) 11.510 12.563 ( 8.183 -1.741 6.744) 10.746 12.819 ( 6.952 1.057 0.309) 7.039 13.068 ( -1.040 -2.759 10.096) 10.518 13.781 ( -9.597 6.914 -3.745) 12.407 14.201 ( -9.219 3.307 -10.562) 14.405 21.605 ( -3.386 5.494 2.399) 6.885 21.806 ( -3.431 -6.529 1.495) 7.526 22.272 ( -0.911 3.789 -0.895) 3.999 22.462 ( 1.038 -1.928 0.171) 2.196 22.907 ( 1.921 -6.396 -13.735) 15.273 23.723 ( 0.396 2.304 -0.528) 2.397 23.871 ( 0.376 -1.308 -1.275) 1.865 24.730 ( 4.543 5.644 14.907) 16.575 ======================= Grid point 52 (38/131) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 9.578 11.063 -0.000) 14.633 2.640 ( -0.309 -13.252 0.000) 13.255 3.068 ( -8.656 3.839 -0.000) 9.469 3.215 ( -16.126 -9.344 0.000) 18.637 3.813 ( 10.216 16.976 -0.000) 19.813 4.017 ( -2.654 -1.565 0.000) 3.081 4.634 ( -3.255 -3.651 0.000) 4.891 4.773 ( -9.310 -6.406 0.000) 11.301 5.547 ( 5.811 5.166 -0.000) 7.776 5.614 ( 5.294 -13.384 0.000) 14.393 5.988 ( 2.580 2.047 -0.000) 3.294 6.053 ( 1.117 5.735 -0.000) 5.843 6.173 ( 0.497 -2.208 0.000) 2.263 6.290 ( -0.991 0.632 -0.000) 1.175 7.632 ( 12.316 -7.308 0.000) 14.321 8.100 ( -11.050 6.057 -0.000) 12.601 8.477 ( -0.106 -12.256 0.000) 12.257 8.496 ( -0.233 8.935 -0.000) 8.938 9.503 ( -2.538 6.256 -0.000) 6.752 9.574 ( -6.719 -2.649 0.000) 7.223 10.751 ( 13.736 9.509 -0.000) 16.706 11.274 ( -10.019 -11.047 0.000) 14.913 12.181 ( 8.500 3.001 -0.000) 9.014 12.576 ( -10.762 5.558 -0.000) 12.113 12.949 ( 2.119 -1.892 0.000) 2.841 13.007 ( -3.189 -4.970 0.000) 5.905 13.455 ( 6.127 -5.407 0.000) 8.172 13.718 ( -6.192 7.426 -0.000) 9.669 21.584 ( 3.415 -6.312 0.000) 7.177 21.799 ( -7.767 4.644 -0.000) 9.050 22.471 ( 2.608 -2.707 0.000) 3.759 22.551 ( -1.244 1.401 -0.000) 1.874 23.149 ( 19.766 9.330 -0.000) 21.857 23.758 ( 1.940 -0.284 -0.000) 1.961 23.780 ( -6.538 3.494 -0.000) 7.413 24.014 ( -16.279 -10.006 0.000) 19.109 ======================= Grid point 53 (39/131) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -2.293 0.589 -0.000) 2.368 2.856 ( 6.349 10.139 -0.000) 11.963 2.992 ( -2.143 8.125 -0.000) 8.403 3.213 ( 7.758 15.545 -0.000) 17.373 3.809 ( -14.003 -9.761 0.000) 17.069 4.027 ( -5.703 1.124 0.000) 5.812 4.596 ( 3.672 -0.810 -0.000) 3.761 4.705 ( 8.748 4.016 -0.000) 9.626 5.503 ( 3.539 -7.176 0.000) 8.001 5.749 ( 5.309 -0.642 -0.000) 5.348 5.965 ( -1.072 1.217 -0.000) 1.622 6.014 ( -8.976 -4.750 0.000) 10.156 6.193 ( 7.102 0.262 -0.000) 7.107 6.283 ( -2.936 0.570 0.000) 2.991 7.743 ( 12.146 -5.381 0.000) 13.285 8.002 ( -11.480 5.918 -0.000) 12.916 8.249 ( 0.693 -12.860 0.000) 12.879 8.702 ( 3.371 10.375 -0.000) 10.909 9.438 ( -5.576 0.187 0.000) 5.580 9.660 ( 0.837 11.596 -0.000) 11.626 10.790 ( -13.822 -12.795 0.000) 18.835 11.207 ( 16.077 6.051 -0.000) 17.178 12.355 ( 4.298 1.394 -0.000) 4.518 12.383 ( -12.363 -0.782 0.000) 12.388 12.995 ( 4.087 1.316 -0.000) 4.294 12.996 ( 1.946 2.987 -0.000) 3.564 13.440 ( 5.449 -7.534 0.000) 9.298 13.735 ( -7.398 7.678 -0.000) 10.662 21.555 ( 5.607 -5.719 0.000) 8.009 21.780 ( -4.050 5.455 -0.000) 6.794 22.440 ( 3.249 -5.680 0.000) 6.544 22.542 ( -1.665 0.315 0.000) 1.694 23.405 ( -20.256 -6.217 0.000) 21.188 23.613 ( 7.918 2.738 -0.000) 8.377 23.821 ( -2.759 1.406 -0.000) 3.096 23.939 ( 12.363 10.738 -0.000) 16.375 ======================= Grid point 54 (40/131) ======================= q-point: ( 0.55 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -8.979 2.900 7.886) 12.297 2.961 ( 3.255 -8.921 7.342) 12.004 3.184 ( 4.609 1.491 -0.814) 4.912 3.328 ( -6.731 1.754 -0.513) 6.975 3.815 ( 3.662 -0.041 -0.707) 3.730 4.611 ( 2.624 -3.890 5.067) 6.906 4.727 ( -0.607 8.118 -7.764) 11.250 5.098 ( 4.717 -8.947 -10.066) 14.269 5.145 ( 6.255 -9.519 -0.815) 11.420 5.519 ( -5.183 0.202 -4.536) 6.890 5.743 ( -1.430 0.491 8.232) 8.370 5.929 ( 2.926 8.187 1.130) 8.767 6.153 ( -11.588 0.827 1.702) 11.741 6.602 ( -1.766 -7.949 0.848) 8.187 7.015 ( 5.554 7.660 2.901) 9.896 8.163 ( 7.924 0.545 -0.993) 8.004 8.245 ( -6.786 1.807 -5.560) 8.957 8.921 ( 1.105 1.288 0.726) 1.846 9.421 ( 1.190 -1.842 2.747) 3.515 10.004 ( 1.528 0.958 1.710) 2.485 10.911 ( 5.118 -17.075 -0.006) 17.825 11.293 ( -10.110 2.353 -2.349) 10.643 11.856 ( -0.574 9.892 3.336) 10.456 12.693 ( -0.975 -2.600 -0.148) 2.781 12.945 ( 4.522 3.971 -3.000) 6.724 13.032 ( -1.331 2.027 1.348) 2.774 13.663 ( -4.405 -11.413 -4.631) 13.081 13.928 ( 3.792 1.855 4.418) 6.110 21.503 ( 1.355 -3.946 -1.987) 4.621 21.843 ( -4.682 12.155 -1.053) 13.068 22.253 ( 0.062 -5.810 -2.018) 6.151 22.464 ( 1.294 0.486 0.953) 1.679 22.882 ( 2.497 3.434 5.647) 7.065 23.752 ( -0.887 -2.508 -0.509) 2.709 23.854 ( 0.847 2.046 -0.172) 2.221 24.821 ( -0.332 -8.613 -1.623) 8.771 ======================= Grid point 56 (41/131) ======================= q-point: ( 0.55 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -17.607 -2.504 17.965) 25.279 2.878 ( -15.131 9.678 5.683) 18.839 3.207 ( 6.107 -6.209 -3.129) 9.254 3.339 ( -0.620 -7.133 -1.068) 7.240 3.880 ( 8.457 1.576 4.989) 9.945 4.519 ( 0.676 -8.638 -2.571) 9.038 4.809 ( -1.160 -3.918 -10.005) 10.807 4.913 ( -6.691 -5.909 -0.384) 8.935 5.103 ( -5.067 8.074 -7.816) 12.327 5.402 ( -0.740 0.575 -4.085) 4.191 5.681 ( -10.668 6.855 3.947) 13.281 6.086 ( 0.484 4.139 4.817) 6.370 6.198 ( 5.671 4.274 -4.100) 8.200 6.504 ( 12.564 -11.958 -0.846) 17.365 7.271 ( 2.372 6.238 1.784) 6.908 8.021 ( -11.479 0.709 -3.489) 12.018 8.414 ( 9.108 1.879 -4.467) 10.317 8.914 ( -1.917 -2.922 -0.796) 3.584 9.382 ( -2.143 -0.017 6.540) 6.882 10.086 ( 5.927 -5.161 2.917) 8.383 10.608 ( -3.019 -9.634 6.271) 11.885 11.286 ( 4.963 1.679 -7.320) 9.002 12.041 ( 1.664 8.538 7.107) 11.233 12.655 ( -0.253 -0.975 -4.509) 4.620 12.911 ( -7.278 -2.600 -1.171) 7.816 13.138 ( 0.511 6.160 -6.235) 8.779 13.459 ( 6.167 -9.753 1.060) 11.588 13.993 ( 4.699 -4.233 6.889) 9.352 21.489 ( 1.675 -1.043 -4.281) 4.714 21.964 ( -3.394 6.286 -2.717) 7.643 22.173 ( 1.867 -1.119 0.413) 2.216 22.499 ( 0.174 0.992 0.759) 1.261 23.019 ( 1.448 4.882 13.338) 14.277 23.695 ( -0.680 -1.261 -0.992) 1.743 23.888 ( 0.091 -0.019 1.487) 1.490 24.582 ( 0.153 -13.111 -9.724) 16.324 ======================= Grid point 57 (42/131) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -19.021 9.453 -0.000) 21.240 3.094 ( -15.666 -9.409 0.000) 18.275 3.141 ( -0.580 4.590 -0.000) 4.626 3.401 ( 5.582 13.060 -0.000) 14.202 3.713 ( -4.553 11.642 -0.000) 12.501 3.978 ( 13.959 -4.311 0.000) 14.609 4.788 ( 8.757 4.412 -0.000) 9.805 4.848 ( 6.825 -2.968 0.000) 7.443 5.498 ( 2.259 -10.626 0.000) 10.863 5.589 ( -2.877 -13.293 0.000) 13.601 5.666 ( -10.725 4.387 -0.000) 11.587 6.049 ( -7.088 1.246 0.000) 7.197 6.346 ( 9.924 10.089 -0.000) 14.152 6.429 ( 9.056 7.372 -0.000) 11.677 7.870 ( -12.980 0.937 0.000) 13.013 7.907 ( 12.079 -1.850 -0.000) 12.220 7.921 ( -1.782 -17.877 0.000) 17.965 8.986 ( 2.978 9.578 -0.000) 10.030 9.342 ( -4.177 -0.721 0.000) 4.239 9.942 ( 1.898 12.254 -0.000) 12.400 10.353 ( -8.750 -6.127 0.000) 10.681 11.596 ( 14.784 3.419 -0.000) 15.174 12.132 ( -10.030 -2.051 0.000) 10.238 12.429 ( 2.099 1.194 -0.000) 2.415 13.112 ( -0.761 6.928 -0.000) 6.970 13.147 ( 6.387 2.446 -0.000) 6.839 13.390 ( 7.300 -9.907 0.000) 12.306 13.730 ( -7.447 7.167 -0.000) 10.335 21.572 ( 7.175 -5.669 0.000) 9.145 21.848 ( -1.826 7.091 -0.000) 7.322 22.382 ( 4.294 -7.891 0.000) 8.984 22.482 ( -4.453 -0.571 0.000) 4.489 22.966 ( -14.584 -2.766 0.000) 14.844 23.707 ( 3.011 0.176 -0.000) 3.016 23.792 ( -2.630 0.779 -0.000) 2.743 24.470 ( 12.920 13.502 -0.000) 18.688 ======================= Grid point 58 (43/131) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -34.119 13.131 -0.000) 36.559 2.280 ( -26.925 -18.063 0.000) 32.423 3.353 ( 1.967 7.704 -0.000) 7.951 3.554 ( -17.906 -14.559 0.000) 23.078 3.802 ( -2.215 -11.167 0.000) 11.384 3.836 ( 7.047 10.588 -0.000) 12.719 4.955 ( -2.749 -14.545 0.000) 14.802 5.034 ( 5.785 4.392 -0.000) 7.263 5.227 ( -4.679 -11.885 0.000) 12.773 5.341 ( 12.647 10.510 -0.000) 16.444 5.827 ( -8.613 -4.971 0.000) 9.945 5.893 ( 7.500 7.554 -0.000) 10.645 6.828 ( 7.561 16.226 -0.000) 17.901 6.926 ( 18.684 16.052 -0.000) 24.632 7.303 ( -8.611 -24.609 0.000) 26.072 7.710 ( -9.881 -1.430 0.000) 9.984 8.141 ( 11.694 1.852 -0.000) 11.840 9.096 ( -5.675 3.699 -0.000) 6.774 9.225 ( -3.351 -4.376 0.000) 5.512 10.113 ( 4.853 -0.667 -0.000) 4.899 10.304 ( -4.264 12.131 -0.000) 12.859 11.898 ( -9.160 -3.469 0.000) 9.795 11.944 ( 14.492 3.276 -0.000) 14.857 12.505 ( 1.652 2.457 -0.000) 2.961 13.230 ( -1.619 6.563 -0.000) 6.760 13.293 ( 4.186 1.534 -0.000) 4.458 13.350 ( 7.889 -8.287 0.000) 11.442 13.751 ( -3.123 5.917 -0.000) 6.690 21.607 ( 6.557 -4.427 0.000) 7.911 21.971 ( -1.421 8.337 -0.000) 8.457 22.297 ( 4.881 -9.925 0.000) 11.061 22.377 ( -6.120 1.839 -0.000) 6.391 22.712 ( -7.555 -2.850 0.000) 8.074 23.747 ( -2.413 -0.369 0.000) 2.441 23.773 ( 2.456 1.067 -0.000) 2.678 24.907 ( 8.110 9.867 -0.000) 12.772 ======================= Grid point 59 (44/131) ======================= q-point: ( 0.55 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -4.562 12.316 9.084) 15.969 2.835 ( -13.166 14.275 6.134) 20.365 3.165 ( 3.950 -4.311 -2.560) 6.383 3.263 ( 10.140 -6.086 -6.640) 13.563 3.983 ( -2.053 -4.186 6.225) 7.777 4.306 ( -1.593 -6.833 5.351) 8.824 4.722 ( -1.782 1.847 -6.259) 6.765 4.856 ( 4.019 -0.297 -5.744) 7.017 5.083 ( -5.327 1.995 -10.989) 12.374 5.419 ( -12.901 12.060 3.710) 18.046 5.679 ( -0.202 2.749 -2.163) 3.503 6.102 ( -1.752 0.438 2.609) 3.174 6.424 ( 10.938 -0.376 -4.499) 11.833 6.550 ( 12.823 -11.158 -1.976) 17.112 7.280 ( -9.006 1.846 -5.133) 10.529 7.884 ( -6.124 4.791 3.149) 8.389 8.636 ( 6.293 5.714 -5.437) 10.091 8.730 ( -3.102 -9.492 0.907) 10.027 9.331 ( -3.214 0.013 6.927) 7.637 10.037 ( 6.259 -7.113 -1.105) 9.539 10.484 ( -1.653 -0.902 10.436) 10.604 11.502 ( 11.341 0.179 -8.050) 13.909 12.189 ( -0.682 1.213 6.339) 6.490 12.549 ( -2.153 -4.272 0.639) 4.827 12.832 ( -2.716 7.580 -5.457) 9.727 13.180 ( -4.172 1.365 -9.060) 10.067 13.481 ( 11.541 -7.890 4.867) 14.803 13.956 ( 3.238 -6.372 6.782) 9.853 21.491 ( -0.204 -0.856 -4.542) 4.626 21.993 ( 3.846 -0.538 1.293) 4.093 22.283 ( 0.890 6.596 -1.890) 6.919 22.478 ( -3.159 -1.586 1.939) 4.032 23.024 ( -7.036 0.123 11.420) 13.414 23.694 ( 0.573 0.936 -0.443) 1.183 23.864 ( -0.030 -0.957 1.942) 2.165 24.446 ( 8.410 -7.247 -10.915) 15.568 ======================= Grid point 60 (45/131) ======================= q-point: ( 0.55 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 2.732 20.006 -1.645) 20.258 2.857 ( -4.579 5.221 -1.510) 7.107 3.235 ( 6.074 -8.127 -10.797) 14.816 3.414 ( 6.307 1.408 7.244) 9.707 3.775 ( -2.367 -3.615 -2.401) 4.943 4.327 ( 6.506 6.455 4.627) 10.266 4.768 ( -4.351 8.509 3.823) 10.294 4.924 ( 4.936 -6.847 0.124) 8.442 5.021 ( -2.034 3.329 -6.167) 7.298 5.477 ( -6.991 14.531 2.073) 16.258 5.709 ( 2.386 -2.097 -2.541) 4.068 6.037 ( -6.329 1.362 0.365) 6.484 6.465 ( 6.635 -17.583 -3.643) 19.143 6.561 ( 9.146 -7.554 -3.402) 12.340 7.110 ( -11.280 3.834 -4.860) 12.867 7.961 ( -2.562 10.909 4.543) 12.091 8.476 ( -2.320 -10.130 4.577) 11.355 8.856 ( 3.006 5.189 -7.226) 9.390 9.315 ( 0.451 3.062 3.697) 4.822 10.043 ( 1.631 -3.227 -3.015) 4.708 10.549 ( 9.517 2.282 6.613) 11.811 11.547 ( 2.562 -11.427 -2.713) 12.021 12.046 ( -7.181 -2.106 0.400) 7.495 12.589 ( 4.247 2.741 2.880) 5.817 12.979 ( -3.236 9.287 -3.258) 10.360 13.054 ( -5.231 -2.275 -6.270) 8.476 13.555 ( 13.242 -9.157 6.078) 17.209 13.914 ( 1.165 -1.832 2.173) 3.072 21.464 ( 0.179 -0.834 -0.729) 1.122 22.110 ( 6.620 0.763 1.582) 6.849 22.229 ( -11.284 -7.852 5.018) 14.635 22.413 ( 0.027 4.402 -2.174) 4.910 22.898 ( -5.383 2.757 -1.652) 6.270 23.723 ( 1.482 -0.087 0.357) 1.527 23.865 ( -0.431 0.522 1.955) 2.069 24.601 ( 13.061 -0.828 -4.397) 13.806 ======================= Grid point 61 (46/131) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -29.059 -15.058 0.000) 32.729 1.626 ( -42.227 9.860 -0.000) 43.363 2.419 ( -37.478 -34.409 0.000) 50.878 3.506 ( -0.821 6.724 -0.000) 6.774 3.790 ( 2.173 2.189 -0.000) 3.085 3.890 ( -6.713 -5.998 0.000) 9.002 4.620 ( -9.192 -4.437 0.000) 10.207 5.060 ( 4.939 1.329 -0.000) 5.115 5.258 ( 4.875 2.439 -0.000) 5.451 5.569 ( -6.406 -5.243 0.000) 8.278 5.676 ( 9.049 -5.073 0.000) 10.374 6.141 ( 6.649 3.362 -0.000) 7.450 6.702 ( -2.417 -14.776 0.000) 14.972 7.398 ( 1.653 15.687 -0.000) 15.774 7.473 ( -2.801 -0.651 0.000) 2.876 7.573 ( 18.443 10.521 -0.000) 21.232 8.412 ( 8.840 4.628 -0.000) 9.979 8.955 ( -7.281 -3.384 0.000) 8.029 9.033 ( -7.600 -3.532 0.000) 8.381 10.196 ( 3.378 0.219 -0.000) 3.385 10.516 ( 0.319 13.455 -0.000) 13.459 11.616 ( -8.117 -8.656 0.000) 11.866 12.269 ( 13.659 0.917 -0.000) 13.690 12.570 ( -1.383 3.745 -0.000) 3.992 13.227 ( 2.823 -5.929 0.000) 6.567 13.377 ( 2.307 0.974 -0.000) 2.504 13.439 ( 2.023 4.758 -0.000) 5.170 13.824 ( 1.119 2.756 -0.000) 2.974 21.667 ( 4.914 -0.679 -0.000) 4.961 22.102 ( -2.456 8.023 -0.000) 8.391 22.196 ( 5.766 -10.169 0.000) 11.690 22.342 ( -3.439 3.836 -0.000) 5.152 22.514 ( -4.826 -5.298 0.000) 7.166 23.687 ( -2.260 -0.849 0.000) 2.414 23.836 ( 1.656 0.973 -0.000) 1.921 25.172 ( 3.742 5.740 -0.000) 6.852 ======================= Grid point 65 (47/131) ======================= q-point: ( 0.32 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -8.967 26.743 -2.126) 28.286 2.669 ( -11.518 24.698 10.436) 29.181 3.412 ( 0.275 -11.080 -4.389) 11.921 3.464 ( -1.344 -7.870 -5.296) 9.581 3.891 ( 2.107 -4.890 0.605) 5.359 4.279 ( 8.842 24.306 10.959) 28.090 4.750 ( 3.413 4.055 -6.735) 8.570 4.988 ( 0.725 2.825 6.774) 7.375 5.162 ( 4.947 -0.187 -0.361) 4.963 5.607 ( 6.414 -2.510 -0.466) 6.903 5.700 ( -6.860 7.545 -5.013) 11.363 5.968 ( 3.309 1.876 -8.754) 9.545 6.305 ( -16.019 -6.497 -1.960) 17.397 6.849 ( -1.557 -16.364 0.432) 16.443 7.050 ( 3.160 -12.042 -0.622) 12.466 7.947 ( 3.874 13.722 -0.509) 14.267 8.347 ( 6.205 -10.103 5.213) 12.951 8.812 ( -3.986 -1.986 5.005) 6.699 9.498 ( 0.277 10.720 -9.401) 14.261 10.031 ( 0.140 -7.103 3.181) 7.784 10.997 ( 6.615 9.157 -2.024) 11.476 11.460 ( -12.792 -7.961 -1.380) 15.130 11.634 ( -0.950 -3.171 4.822) 5.849 12.780 ( -3.650 -2.857 -3.186) 5.625 12.857 ( 7.806 3.855 -0.003) 8.706 13.129 ( -0.629 -5.138 -4.328) 6.747 13.756 ( 4.903 -2.503 9.472) 10.955 13.839 ( -4.862 1.826 -0.353) 5.205 21.590 ( 7.150 -0.386 -0.239) 7.165 21.751 ( -7.483 -5.406 -1.194) 9.308 22.312 ( 3.456 1.172 -0.810) 3.738 22.454 ( -0.159 0.683 0.135) 0.714 22.711 ( -3.758 5.311 5.327) 8.409 23.773 ( -1.350 1.837 0.387) 2.313 23.814 ( 1.901 -0.735 0.421) 2.081 25.024 ( 1.270 -3.797 -5.612) 6.894 ======================= Grid point 66 (48/131) ======================= q-point: (-0.18 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -3.580 -15.654 -22.810) 27.895 1.015 ( 13.346 -27.010 -22.230) 37.441 1.746 ( -6.210 -40.974 -40.932) 58.248 3.511 ( 1.044 -3.143 5.543) 6.457 3.534 ( -0.988 -5.775 6.884) 9.040 3.953 ( -0.081 2.289 -7.889) 8.215 4.419 ( 0.014 -5.529 0.592) 5.561 4.756 ( -0.094 -23.038 21.084) 31.230 5.197 ( -1.951 4.283 3.604) 5.928 5.267 ( 1.979 -2.315 3.734) 4.819 5.934 ( -0.557 13.670 1.546) 13.769 6.182 ( -0.072 3.653 9.574) 10.248 6.629 ( 0.610 2.603 -3.150) 4.131 7.161 ( 1.661 -6.358 3.722) 7.552 7.380 ( -2.102 -14.978 14.197) 20.744 7.903 ( 0.119 10.454 6.974) 12.567 8.701 ( 3.587 -1.595 2.522) 4.665 8.727 ( -3.594 -4.450 2.909) 6.417 9.461 ( -0.110 34.385 -28.408) 44.603 10.380 ( -0.009 2.268 -12.983) 13.179 10.793 ( -7.328 1.582 2.320) 7.847 11.280 ( 10.237 -2.829 -2.594) 10.933 12.047 ( -2.013 -38.702 28.503) 48.107 12.491 ( 1.216 8.385 -0.676) 8.500 12.600 ( -1.418 -2.549 -0.769) 3.017 13.337 ( -0.020 0.554 13.373) 13.384 13.996 ( 0.239 3.003 -8.282) 8.813 14.589 ( -0.137 33.785 -26.481) 42.926 21.862 ( -1.864 11.742 -5.134) 12.950 22.069 ( 6.589 3.287 0.589) 7.387 22.295 ( -2.241 1.433 -3.349) 4.277 22.361 ( -2.077 -1.312 -0.600) 2.529 22.410 ( -0.418 -4.502 -6.134) 7.620 23.658 ( 0.057 -1.366 -1.798) 2.259 23.865 ( -0.041 0.207 0.913) 0.937 24.767 ( -0.231 -23.103 26.040) 34.812 ======================= Grid point 68 (49/131) ======================= q-point: ( 0.32 -0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -11.238 20.906 5.741) 24.419 2.890 ( -3.253 -2.973 -0.007) 4.407 3.238 ( -2.058 -7.763 -4.325) 9.122 3.345 ( 4.422 9.319 -1.077) 10.371 3.756 ( -2.467 -6.753 6.519) 9.705 4.493 ( 2.031 -8.284 2.913) 9.013 4.822 ( 0.440 -1.304 0.933) 1.663 5.105 ( -2.672 -0.822 2.801) 3.957 5.255 ( 2.332 -4.714 -4.188) 6.723 5.594 ( 4.480 -2.879 -3.987) 6.652 5.771 ( -9.230 2.809 -6.669) 11.729 5.905 ( 1.633 -1.570 0.549) 2.331 6.128 ( 1.294 6.959 0.489) 7.095 6.554 ( -8.116 -0.470 3.364) 8.798 6.985 ( 6.065 -4.414 0.315) 7.508 8.199 ( 3.959 -5.675 -2.487) 7.352 8.306 ( 4.475 3.463 -0.643) 5.695 8.740 ( -0.024 -2.001 11.174) 11.352 9.558 ( -3.427 -0.096 -10.649) 11.188 9.935 ( -0.848 -1.252 4.556) 4.800 10.930 ( -18.055 2.485 -1.573) 18.293 11.361 ( 3.212 4.051 -3.404) 6.189 11.764 ( 9.109 5.081 4.659) 11.424 12.699 ( 0.809 -2.216 -0.317) 2.380 12.973 ( -2.545 -5.477 0.475) 6.058 13.017 ( 6.651 -4.394 -0.279) 7.976 13.748 ( -12.533 7.530 -2.931) 14.912 13.841 ( 3.404 1.733 3.178) 4.968 21.544 ( -3.595 -3.289 -1.658) 5.147 21.868 ( 14.577 4.488 -1.056) 15.289 22.323 ( -5.347 2.390 -4.325) 7.281 22.447 ( 0.380 -1.860 0.262) 1.916 22.726 ( -1.125 1.897 8.342) 8.629 23.763 ( -2.026 0.879 -0.502) 2.265 23.855 ( 2.176 0.427 0.038) 2.217 24.864 ( -7.356 -6.219 -2.021) 9.842 ======================= Grid point 69 (50/131) ======================= q-point: (-0.68 -0.08 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -5.681 -13.403 -0.090) 14.558 2.771 ( -2.240 10.671 5.706) 12.307 3.140 ( 1.146 -3.064 -3.314) 4.657 3.521 ( -8.279 -8.778 3.137) 12.468 3.758 ( 6.583 12.889 -5.299) 15.412 4.243 ( -2.199 -6.072 8.737) 10.864 4.771 ( -1.710 0.295 9.025) 9.190 4.949 ( -1.397 -8.927 -8.335) 12.293 5.052 ( -4.963 -8.916 -5.526) 11.604 5.556 ( 6.698 -10.393 -3.202) 12.772 5.682 ( 0.631 -1.675 -1.858) 2.579 5.991 ( 6.896 -1.909 5.030) 8.746 6.389 ( -5.305 17.180 3.027) 18.234 6.481 ( -8.704 5.443 3.419) 10.820 7.048 ( 9.660 -4.451 1.350) 10.721 8.073 ( 3.986 -10.896 -5.023) 12.643 8.478 ( 0.141 6.717 1.082) 6.805 8.686 ( 0.061 -4.044 8.219) 9.160 9.497 ( -0.646 0.494 -10.939) 10.970 9.929 ( -1.863 2.522 7.266) 7.914 10.718 ( -9.990 5.445 -7.992) 13.904 11.476 ( -4.183 5.131 3.611) 7.541 12.060 ( 7.855 7.369 -0.670) 10.791 12.660 ( -1.011 -2.964 -3.815) 4.936 12.899 ( 5.511 -5.772 6.167) 10.086 12.933 ( 0.312 -8.163 2.520) 8.549 13.662 ( -14.373 10.407 -3.758) 18.139 13.948 ( 0.229 5.518 -0.832) 5.585 21.452 ( -1.293 -1.630 0.377) 2.115 22.107 ( -2.174 -0.878 0.715) 2.452 22.350 ( 0.716 -0.351 -0.437) 0.909 22.414 ( 4.806 2.698 -6.734) 8.702 22.825 ( 7.469 6.588 5.049) 11.166 23.734 ( -1.444 -0.227 -0.509) 1.548 23.900 ( 0.999 0.291 -1.133) 1.539 24.526 ( -13.386 -6.331 2.410) 15.003 ======================= Grid point 71 (51/131) ======================= q-point: (-0.18 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 29.771 -0.171 1.551) 29.812 2.424 ( 25.024 7.731 -9.410) 27.830 3.331 ( -0.819 -7.615 1.867) 7.883 3.642 ( 7.484 -2.681 -0.685) 7.979 3.774 ( -4.050 2.122 -0.301) 4.582 3.871 ( 5.814 14.184 -7.076) 16.884 4.907 ( -3.402 11.175 7.921) 14.113 5.009 ( 0.449 -3.828 0.942) 3.967 5.139 ( 2.632 7.343 4.303) 8.908 5.262 ( 0.578 -5.816 5.948) 8.339 5.813 ( -1.307 -2.200 3.235) 4.124 5.957 ( -1.362 1.926 -5.198) 5.708 6.777 ( -4.727 -14.081 4.681) 15.574 6.892 ( -18.404 -15.348 2.650) 24.109 7.188 ( 4.123 17.439 7.335) 19.362 7.712 ( 7.807 4.160 -1.381) 8.954 8.380 ( -7.942 0.253 -16.098) 17.952 8.989 ( 4.383 -3.167 9.114) 10.598 9.211 ( 3.375 3.300 0.368) 4.734 10.142 ( -5.844 -1.290 -1.595) 6.194 10.349 ( 3.498 -9.628 -4.873) 11.344 11.807 ( -0.673 -3.199 5.031) 6.000 12.030 ( -5.619 2.991 -4.605) 7.857 12.516 ( -0.983 -2.533 -1.009) 2.899 12.970 ( 6.751 2.290 11.630) 13.641 13.267 ( -3.932 4.374 6.546) 8.800 13.553 ( -8.557 -10.078 -10.809) 17.076 13.840 ( -1.174 -2.772 -7.383) 7.973 21.565 ( -4.656 1.868 3.145) 5.921 22.029 ( 0.771 -6.998 -4.130) 8.162 22.302 ( -4.968 9.032 -0.875) 10.345 22.361 ( 4.955 -1.018 1.319) 5.228 22.754 ( 6.319 4.030 -3.794) 8.400 23.723 ( 0.943 -0.768 0.957) 1.548 23.814 ( -0.789 -0.070 -2.395) 2.522 24.820 ( -5.886 -9.132 7.550) 13.231 ======================= Grid point 72 (52/131) ======================= q-point: (-0.68 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 5.786 0.457 -6.825) 8.959 2.905 ( 4.396 -0.123 0.978) 4.505 3.131 ( 2.212 0.675 -1.277) 2.642 3.205 ( -6.255 -2.217 -0.606) 6.664 4.005 ( 2.878 6.386 3.127) 7.670 4.381 ( 5.581 5.671 -1.064) 8.028 4.656 ( -8.867 -3.732 3.006) 10.079 4.789 ( -1.016 -7.455 -3.358) 8.239 4.890 ( 4.320 2.657 7.376) 8.952 5.444 ( 4.141 -11.309 1.339) 12.117 5.725 ( 10.669 -6.678 -6.698) 14.258 6.072 ( 5.361 -2.814 5.226) 7.998 6.338 ( -9.566 -0.713 3.070) 10.072 6.497 ( -11.854 12.130 2.572) 17.155 7.217 ( 11.182 -0.174 1.167) 11.244 7.959 ( 3.560 -8.474 -2.978) 9.662 8.497 ( -6.554 0.614 4.244) 7.832 8.687 ( 4.046 1.633 4.347) 6.159 9.564 ( 1.650 3.594 -12.212) 12.836 9.968 ( -2.518 7.521 5.401) 9.596 10.731 ( -1.569 5.064 -11.603) 12.757 11.329 ( -13.446 -0.660 7.932) 15.625 12.310 ( 3.120 2.943 -4.658) 6.331 12.556 ( -0.640 -5.617 0.435) 5.670 12.760 ( 4.584 -4.839 0.532) 6.686 12.984 ( 4.539 -1.329 8.805) 9.995 13.569 ( -13.276 7.627 -3.081) 15.618 14.061 ( -2.962 8.118 -2.968) 9.137 21.418 ( -0.648 -0.210 2.294) 2.393 21.995 ( -4.029 -1.251 0.496) 4.247 22.249 ( -0.771 -4.930 1.170) 5.125 22.523 ( 1.417 -0.366 -1.781) 2.305 23.280 ( 11.579 10.500 -11.261) 19.265 23.700 ( -0.977 -1.843 -1.301) 2.458 23.886 ( -0.033 -0.490 0.356) 0.607 24.204 ( -9.955 1.251 10.503) 14.525 ======================= Grid point 73 (53/131) ======================= q-point: (-0.68 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 12.998 9.460 -14.702) 21.785 2.986 ( 9.463 -3.406 -3.098) 10.523 3.181 ( 1.332 2.529 -1.623) 3.287 3.328 ( 5.895 6.161 0.264) 8.531 3.922 ( -15.197 -4.303 1.551) 15.870 4.434 ( -2.744 3.872 2.963) 5.595 4.587 ( 5.256 3.076 10.163) 11.848 4.824 ( 3.858 -1.498 3.960) 5.728 5.082 ( 4.339 5.705 -0.958) 7.231 5.326 ( 3.648 -5.255 1.344) 6.536 5.822 ( 14.281 -7.750 -7.694) 17.978 6.076 ( 5.211 -6.228 5.144) 9.613 6.156 ( -6.708 -0.464 0.112) 6.725 6.481 ( -11.287 11.398 1.044) 16.075 7.364 ( 2.130 -2.456 -6.988) 7.707 7.903 ( 6.475 -5.161 8.068) 11.561 8.340 ( -9.320 -0.037 1.749) 9.483 8.795 ( 4.316 -0.451 6.070) 7.462 9.630 ( -0.835 2.315 -12.193) 12.439 10.098 ( -3.174 5.382 1.956) 6.547 10.759 ( -5.312 7.284 -7.206) 11.542 11.152 ( -1.997 2.449 5.056) 5.962 12.167 ( -2.024 -11.305 -4.225) 12.237 12.579 ( 1.763 2.864 2.305) 4.077 12.883 ( 7.311 0.926 1.112) 7.453 12.997 ( 3.116 -4.951 6.109) 8.458 13.486 ( -9.034 8.184 -1.204) 12.249 14.108 ( -6.796 5.626 -3.637) 9.543 21.417 ( -0.670 1.656 2.300) 2.912 21.916 ( 1.928 -5.736 1.612) 6.262 22.179 ( -1.758 1.258 -0.146) 2.167 22.514 ( 0.235 -1.614 -0.563) 1.725 23.285 ( -7.670 -8.099 -10.426) 15.268 23.679 ( 0.349 2.075 0.489) 2.160 23.917 ( -1.776 -0.238 -1.283) 2.204 24.373 ( 8.421 14.846 8.845) 19.223 ======================= Grid point 74 (54/131) ======================= q-point: (-0.18 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 17.937 -7.087 -1.022) 19.314 3.082 ( 16.604 11.925 1.272) 20.482 3.134 ( -2.885 -8.644 -0.122) 9.113 3.275 ( -8.559 -14.010 8.838) 18.646 3.832 ( 6.111 -3.738 -6.871) 9.926 4.002 ( -15.083 -2.439 -3.115) 15.593 4.788 ( -7.519 -4.521 0.040) 8.773 4.829 ( -2.091 1.479 1.521) 2.979 5.383 ( -0.571 9.826 8.099) 12.746 5.608 ( 14.373 11.245 -2.021) 18.361 5.700 ( -2.039 -0.050 -0.548) 2.111 6.073 ( 5.799 -0.026 -1.827) 6.080 6.332 ( -10.166 -9.749 0.853) 14.111 6.439 ( -7.222 -6.756 -0.437) 9.899 7.542 ( 1.603 10.168 13.627) 17.078 7.918 ( 6.833 0.677 -2.237) 7.222 8.300 ( -7.558 6.605 -16.654) 19.445 8.897 ( -0.005 -9.864 7.391) 12.326 9.321 ( 3.201 1.665 1.353) 3.854 9.948 ( -2.600 -11.685 -0.256) 11.973 10.393 ( 7.206 6.011 -3.652) 10.070 11.555 ( -11.523 -4.400 3.589) 12.846 12.132 ( 4.834 2.682 -0.242) 5.534 12.460 ( -0.197 -1.489 -2.666) 3.060 13.053 ( 3.319 -2.325 3.137) 5.125 13.214 ( -8.476 -7.026 -3.197) 11.464 13.340 ( -2.650 8.104 3.630) 9.267 13.777 ( 2.817 -5.628 -3.726) 7.314 21.538 ( -4.071 3.958 2.548) 6.224 21.898 ( -0.308 -6.545 -3.702) 7.526 22.380 ( -3.700 7.484 -0.133) 8.350 22.466 ( 4.524 0.897 1.426) 4.827 22.991 ( 11.159 4.360 -2.088) 12.161 23.707 ( -1.489 0.045 0.049) 1.491 23.811 ( 1.377 -1.147 -1.655) 2.439 24.427 ( -10.903 -13.707 3.819) 17.927 ======================= Grid point 75 (55/131) ======================= q-point: (-0.18 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 1.374 1.204 -2.405) 3.020 2.865 ( -4.704 -10.071 -0.539) 11.128 2.943 ( 1.224 -7.114 3.445) 7.998 3.139 ( -3.661 -13.513 5.419) 15.012 3.867 ( 8.684 5.308 -4.348) 11.068 4.007 ( 3.858 0.167 1.857) 4.285 4.611 ( -2.502 -0.069 -1.413) 2.874 4.715 ( -5.985 -4.593 -0.550) 7.564 5.532 ( -1.560 7.560 -2.447) 8.098 5.718 ( -4.159 3.911 2.668) 6.302 5.989 ( 0.561 -1.017 -1.818) 2.157 6.029 ( 6.115 3.274 -1.572) 7.113 6.182 ( -5.149 0.072 1.714) 5.428 6.302 ( 1.939 -1.372 -1.787) 2.973 7.666 ( -7.100 8.040 5.267) 11.950 7.993 ( 9.783 -7.103 0.618) 12.106 8.320 ( -6.364 8.942 -4.909) 12.023 8.686 ( 0.701 -9.906 1.214) 10.004 9.416 ( 3.687 1.329 1.581) 4.226 9.663 ( -0.534 -11.571 -0.105) 11.583 10.788 ( 9.970 12.993 0.192) 16.378 11.217 ( -11.867 -6.342 -0.903) 13.486 12.278 ( 2.381 2.237 4.130) 5.266 12.433 ( 3.469 -3.827 -2.120) 5.583 12.994 ( -3.939 -1.071 -1.065) 4.219 13.041 ( -0.042 -2.304 -2.181) 3.172 13.431 ( -4.359 7.478 0.628) 8.679 13.727 ( 5.551 -7.644 0.639) 9.469 21.556 ( -3.844 5.438 -0.107) 6.661 21.788 ( 2.698 -6.063 -0.647) 6.668 22.445 ( -2.586 5.356 -0.540) 5.972 22.532 ( 1.393 -0.074 0.829) 1.623 23.371 ( 11.915 8.302 2.772) 14.784 23.662 ( -2.770 -1.374 -3.549) 4.707 23.815 ( 2.590 -2.464 0.167) 3.578 23.927 ( -9.681 -12.297 1.005) 15.683 ======================= Grid point 76 (56/131) ======================= q-point: ( 0.32 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -5.663 -8.965 -9.784) 14.428 3.093 ( -7.517 7.851 -1.245) 10.940 3.241 ( -0.833 -2.378 -6.667) 7.128 3.348 ( 9.066 -1.126 -3.315) 9.719 3.735 ( 1.860 -1.569 6.425) 6.870 4.494 ( 5.855 -5.721 10.052) 12.964 4.678 ( -11.716 9.963 1.386) 15.442 4.875 ( 4.142 9.777 7.639) 13.080 5.172 ( -3.872 0.235 -3.054) 4.937 5.429 ( 6.016 2.424 3.478) 7.360 5.896 ( 3.192 -4.976 -2.457) 6.402 5.998 ( -8.818 0.605 -4.091) 9.739 6.231 ( 18.806 -1.832 -6.609) 20.018 6.589 ( 4.122 7.397 1.841) 8.666 7.127 ( -8.519 -11.542 -7.595) 16.231 8.043 ( 7.695 3.160 12.538) 15.047 8.153 ( -8.994 0.416 0.099) 9.004 8.829 ( 4.022 -3.857 4.614) 7.235 9.627 ( -4.193 1.768 -11.351) 12.229 10.005 ( -2.419 -2.787 1.568) 4.010 10.921 ( -8.227 17.592 -0.679) 19.432 11.275 ( 10.683 -0.142 -0.585) 10.700 11.898 ( -1.698 -13.248 -0.722) 13.376 12.697 ( 1.976 5.464 -0.561) 5.838 12.865 ( 0.996 -6.166 3.946) 7.388 13.055 ( 5.329 -0.806 -0.656) 5.430 13.571 ( -1.227 9.848 3.356) 10.476 14.011 ( -7.558 -0.581 -2.905) 8.118 21.468 ( -0.206 4.677 1.140) 4.818 21.827 ( 4.856 -9.739 0.354) 10.889 22.229 ( -1.609 6.247 0.391) 6.463 22.480 ( -0.454 -1.358 -0.466) 1.506 22.962 ( -7.766 -7.738 -1.944) 11.134 23.743 ( 0.890 2.832 0.245) 2.979 23.848 ( -2.217 -1.732 0.269) 2.826 24.802 ( 7.412 10.206 0.162) 12.614 ======================= Grid point 78 (57/131) ======================= q-point: (-0.18 -0.08 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -8.551 -7.323 -2.928) 11.633 2.692 ( 0.818 8.468 -4.525) 9.636 3.035 ( 10.144 -4.074 2.734) 11.268 3.141 ( 14.431 7.339 5.676) 17.156 3.860 ( -7.808 -11.176 -3.721) 14.132 4.006 ( 2.347 1.191 1.169) 2.880 4.659 ( 4.165 1.973 -1.757) 4.932 4.739 ( 6.847 5.159 2.668) 8.979 5.560 ( -6.061 -5.778 -1.341) 8.481 5.636 ( -6.771 11.806 -1.166) 13.660 6.009 ( -1.385 -1.299 -1.925) 2.704 6.056 ( -1.456 -3.295 -0.088) 3.603 6.154 ( -0.747 1.090 1.548) 2.035 6.310 ( 1.617 -1.207 -1.505) 2.517 7.599 ( -11.727 5.731 2.174) 13.232 8.066 ( 11.067 -8.115 3.107) 14.070 8.411 ( -3.714 10.927 1.353) 11.620 8.598 ( 5.261 -5.213 -4.305) 8.566 9.442 ( -0.456 -2.245 3.441) 4.134 9.620 ( 8.777 -0.252 -2.387) 9.100 10.761 ( -13.671 -6.665 -0.801) 15.230 11.265 ( 9.175 7.588 0.818) 11.934 12.181 ( -7.272 -1.943 -0.272) 7.532 12.537 ( 9.512 -3.196 2.907) 10.447 12.988 ( -0.986 -0.653 -2.574) 2.832 13.028 ( 2.497 4.415 -1.659) 5.337 13.442 ( -6.407 4.276 0.991) 7.766 13.715 ( 6.591 -5.392 0.210) 8.518 21.576 ( -3.836 4.300 0.646) 5.799 21.802 ( 7.767 -3.135 -0.186) 8.377 22.475 ( -2.561 1.839 -0.226) 3.162 22.528 ( -0.339 -1.154 1.660) 2.050 23.198 ( -17.438 -6.708 -3.996) 19.107 23.743 ( -1.545 0.008 0.908) 1.792 23.803 ( 5.092 -3.284 -1.593) 6.266 23.979 ( 16.791 8.446 3.003) 19.034 ======================= Grid point 79 (58/131) ======================= q-point: (-0.18 -0.08 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -11.700 -10.592 -7.973) 17.682 2.990 ( -4.348 2.519 -2.261) 5.510 3.159 ( 0.031 -8.777 3.118) 9.314 3.233 ( 8.727 4.392 4.429) 10.727 3.723 ( 0.715 5.440 -9.403) 10.886 4.280 ( 16.984 3.200 1.544) 17.352 4.818 ( 4.019 4.289 -0.164) 5.880 4.899 ( 4.842 0.031 5.925) 7.652 5.385 ( -3.559 -2.552 5.153) 6.762 5.635 ( -10.322 -0.147 4.725) 11.353 5.747 ( -4.433 -10.475 -1.255) 11.444 5.984 ( -1.611 -1.752 -7.346) 7.722 6.289 ( 6.532 9.762 1.542) 11.846 6.358 ( -0.558 6.896 -0.211) 6.921 7.466 ( -10.620 2.707 4.233) 11.749 8.053 ( 5.024 -10.367 4.690) 12.438 8.512 ( -0.653 1.262 -8.105) 8.229 8.680 ( 3.370 4.577 -1.214) 5.811 9.407 ( 2.047 -3.789 4.763) 6.422 9.863 ( 8.627 6.417 -3.082) 11.184 10.430 ( -3.664 -7.316 -4.308) 9.247 11.496 ( 0.018 8.000 7.399) 10.897 12.025 ( -7.195 0.342 -6.101) 9.440 12.634 ( 9.225 -4.330 1.758) 10.341 12.946 ( -3.119 0.522 1.330) 3.430 13.248 ( 8.219 4.530 -1.558) 9.513 13.373 ( -5.808 2.733 4.973) 8.120 13.763 ( 4.833 -1.477 -5.672) 7.596 21.597 ( -1.001 3.061 4.870) 5.838 21.919 ( 8.048 -2.441 -2.422) 8.752 22.337 ( -10.170 -2.006 2.462) 10.655 22.506 ( -0.144 -0.822 0.867) 1.204 22.857 ( -8.115 -1.465 -9.954) 12.926 23.720 ( -0.520 -0.376 1.514) 1.644 23.825 ( 2.263 -1.286 -2.043) 3.309 24.477 ( 15.480 8.059 5.667) 18.349 ======================= Grid point 81 (59/131) ======================= q-point: ( 0.32 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -4.043 26.125 8.907) 27.896 1.927 ( -16.291 24.341 11.924) 31.624 3.328 ( -20.351 11.414 7.571) 24.531 3.389 ( -7.395 3.520 3.139) 8.772 3.783 ( 1.289 1.566 -3.061) 3.672 3.898 ( -1.311 -2.230 2.624) 3.685 4.752 ( -8.977 11.185 -0.637) 14.356 5.019 ( -3.222 -1.301 -6.041) 6.969 5.142 ( -2.355 -1.394 -8.384) 8.819 5.328 ( 3.994 -1.506 -12.796) 13.489 5.844 ( -0.985 -1.702 -1.128) 2.267 6.023 ( 3.712 -3.897 -0.644) 5.421 6.756 ( 11.788 7.086 -5.947) 14.985 7.146 ( -0.901 -4.088 -2.660) 4.959 7.253 ( 10.052 -14.944 -3.010) 18.260 7.604 ( -7.382 3.129 1.599) 8.175 8.526 ( 0.893 -6.470 8.938) 11.069 8.885 ( 3.359 4.036 -1.248) 5.397 9.171 ( -6.916 2.173 -0.649) 7.278 10.299 ( -1.649 -7.448 6.894) 10.282 10.321 ( 8.644 -3.816 2.082) 9.676 11.678 ( 1.698 11.097 -0.829) 11.257 12.157 ( 10.095 -4.414 1.796) 11.164 12.590 ( -5.181 -5.792 -0.361) 7.779 12.815 ( -5.040 8.733 -16.963) 19.734 13.310 ( -0.288 -0.795 -8.440) 8.482 13.714 ( 10.303 -7.445 10.041) 16.198 13.917 ( 3.510 -6.420 15.185) 16.856 21.650 ( -0.591 -3.794 -4.496) 5.913 21.996 ( 5.952 2.982 2.988) 7.297 22.265 ( 3.290 2.353 -0.113) 4.047 22.399 ( -6.092 -3.133 2.074) 7.158 22.653 ( -4.790 4.269 6.118) 8.865 23.701 ( -0.236 1.019 -0.278) 1.082 23.836 ( 0.116 -1.142 1.358) 1.778 24.925 ( 3.328 -4.840 -11.597) 13.000 ======================= Grid point 82 (60/131) ======================= q-point: (-0.18 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -12.280 -13.117 -13.385) 22.405 2.336 ( -17.569 -23.382 -6.679) 30.000 3.336 ( 7.963 0.714 1.156) 8.078 3.538 ( 3.499 7.394 7.659) 11.206 3.856 ( 3.068 4.356 -7.324) 9.057 4.096 ( -8.103 -27.581 -7.979) 29.833 4.865 ( -6.727 -1.689 2.890) 7.514 5.093 ( -3.898 0.962 -4.358) 5.926 5.223 ( 2.651 -6.066 13.158) 14.730 5.305 ( 1.391 -6.388 16.108) 17.384 5.791 ( 3.268 6.149 3.987) 8.024 5.958 ( -0.071 2.113 -6.904) 7.221 6.469 ( -4.384 14.061 2.580) 14.953 6.857 ( 14.431 19.168 2.108) 24.086 7.295 ( -5.543 -1.634 1.292) 5.922 7.829 ( -1.562 -14.291 1.689) 14.475 8.536 ( 4.157 -0.761 -6.697) 7.918 8.795 ( -2.039 5.023 -3.419) 6.409 9.320 ( -0.527 -7.644 5.592) 9.486 10.156 ( 4.708 8.429 -3.527) 10.279 10.370 ( 10.393 -5.424 -5.146) 12.803 11.597 ( -7.779 6.355 6.207) 11.808 11.958 ( -3.846 8.347 -6.581) 11.303 12.714 ( 8.008 -6.157 1.721) 10.247 12.868 ( -4.995 -1.310 9.001) 10.377 13.295 ( -2.833 2.210 4.764) 5.967 13.549 ( 8.034 6.361 -2.485) 10.545 13.854 ( 4.151 2.489 -12.358) 13.272 21.651 ( 1.493 1.465 6.954) 7.262 21.934 ( -3.059 -0.614 -2.675) 4.110 22.207 ( -1.399 2.675 -0.297) 3.034 22.476 ( -0.069 -2.139 -0.290) 2.160 22.725 ( -4.019 -2.362 -9.355) 10.452 23.708 ( -0.003 -0.520 1.112) 1.227 23.839 ( 0.997 -0.466 -1.936) 2.227 24.853 ( 10.107 4.175 9.046) 14.192 ======================= Grid point 85 (61/131) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -0.175 32.113 -0.000) 32.113 1.326 ( -33.198 32.294 -0.000) 46.314 2.331 ( 19.527 56.057 -0.000) 59.360 3.612 ( 0.074 1.601 -0.000) 1.603 3.770 ( -1.362 9.148 -0.000) 9.249 3.828 ( 0.197 -3.680 0.000) 3.685 4.575 ( -0.816 8.851 -0.000) 8.889 5.110 ( 2.191 -7.857 0.000) 8.157 5.275 ( -0.430 -3.144 0.000) 3.173 5.489 ( -1.894 4.110 -0.000) 4.525 5.632 ( 5.676 0.575 -0.000) 5.705 6.164 ( -0.881 -6.881 0.000) 6.938 6.530 ( -2.599 -5.152 0.000) 5.770 7.386 ( -3.288 11.052 -0.000) 11.531 7.666 ( -0.956 -19.620 0.000) 19.643 7.666 ( 4.172 -9.802 0.000) 10.653 8.547 ( 8.465 -5.261 0.000) 9.967 8.794 ( -9.529 2.128 0.000) 9.764 9.059 ( 2.961 12.705 -0.000) 13.045 10.205 ( 0.438 -2.805 0.000) 2.839 10.815 ( 12.038 1.209 -0.000) 12.099 11.319 ( -16.951 4.086 -0.000) 17.436 12.240 ( -2.277 -15.735 0.000) 15.899 12.661 ( 3.764 4.568 -0.000) 5.919 13.106 ( -3.350 -5.482 0.000) 6.424 13.382 ( -0.452 -2.944 0.000) 2.979 13.550 ( 4.276 1.214 -0.000) 4.445 13.839 ( -1.143 -2.044 0.000) 2.342 21.687 ( 2.469 -3.596 0.000) 4.362 21.990 ( -7.762 -5.150 0.000) 9.315 22.273 ( 7.492 1.402 -0.000) 7.622 22.376 ( -4.656 1.998 -0.000) 5.066 22.437 ( 2.066 4.364 -0.000) 4.829 23.677 ( -0.178 2.301 -0.000) 2.308 23.850 ( 0.322 -1.215 0.000) 1.257 25.253 ( 1.291 -2.315 0.000) 2.651 ======================= Grid point 86 (62/131) ======================= q-point: (-0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -0.275 -22.064 -14.062) 26.165 2.465 ( 9.130 -24.092 -14.738) 29.681 3.389 ( -0.000 -0.620 6.764) 6.792 3.517 ( 1.835 3.015 5.092) 6.196 3.933 ( -1.965 2.168 -1.964) 3.524 4.026 ( -9.592 -31.445 -20.166) 38.568 4.473 ( -3.022 -0.925 9.650) 10.154 4.962 ( 1.687 -7.742 6.680) 10.364 5.170 ( -2.990 -0.157 -1.125) 3.198 5.260 ( 5.614 -6.000 5.393) 9.829 5.603 ( 2.791 -4.142 7.731) 9.204 5.833 ( -2.347 1.177 6.052) 6.597 6.476 ( 7.854 8.160 -0.910) 11.362 7.050 ( -2.334 9.490 8.377) 12.872 7.299 ( -3.008 12.516 -0.377) 12.877 7.660 ( -1.701 -13.183 1.419) 13.368 8.548 ( 1.979 6.294 2.399) 7.020 8.825 ( -2.813 -4.608 6.866) 8.734 9.311 ( -1.052 0.846 -11.532) 11.610 10.286 ( -3.585 10.876 -1.090) 11.503 10.864 ( -4.518 -3.983 -6.200) 8.644 11.509 ( 14.962 -3.558 -3.292) 15.728 11.908 ( -1.393 15.604 1.246) 15.716 12.567 ( 2.095 -11.368 5.646) 12.865 12.777 ( -4.752 -4.548 -0.039) 6.578 13.037 ( -0.507 1.447 10.336) 10.449 13.896 ( 4.543 7.112 -3.411) 9.102 14.196 ( -4.088 12.332 -11.110) 17.095 21.623 ( -4.563 3.300 0.024) 5.632 21.837 ( 10.602 6.506 1.185) 12.495 22.322 ( 0.435 0.239 -2.329) 2.382 22.417 ( -2.596 -1.649 0.914) 3.209 22.786 ( -4.710 -2.827 -9.115) 10.642 23.764 ( 1.281 -1.185 -1.580) 2.355 23.839 ( -1.371 0.560 -0.266) 1.504 24.796 ( 0.677 -6.352 13.297) 14.752 ======================= Grid point 87 (63/131) ======================= q-point: (-0.40 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 7.542 -15.719 -19.680) 26.292 2.119 ( 4.149 -25.037 -16.149) 30.081 3.327 ( -2.019 -2.472 7.230) 7.903 3.381 ( 11.307 -26.304 -30.068) 41.519 3.555 ( 4.820 -4.905 11.462) 13.367 4.028 ( -0.766 7.916 -8.536) 11.666 4.458 ( 5.546 -2.384 8.617) 10.521 4.816 ( 1.883 -10.019 11.307) 15.225 5.004 ( -5.170 -2.697 -1.975) 6.157 5.325 ( -1.385 1.862 1.033) 2.540 5.637 ( 4.566 -0.065 10.839) 11.762 5.881 ( 3.593 0.193 12.105) 12.629 6.723 ( 4.645 -0.204 0.213) 4.655 7.021 ( -3.890 1.866 9.279) 10.233 7.349 ( -7.767 3.779 5.513) 10.246 7.551 ( 3.012 -0.348 0.528) 3.078 8.623 ( -3.047 -2.320 2.843) 4.770 8.738 ( 3.829 0.405 6.936) 7.934 9.402 ( -4.569 11.386 -16.822) 20.820 10.372 ( -6.294 9.232 2.792) 11.517 10.694 ( -6.290 0.991 -16.410) 17.603 11.667 ( 6.562 -6.411 -1.739) 9.337 12.209 ( 5.661 4.947 6.657) 10.042 12.348 ( 1.703 -10.543 5.305) 11.925 12.620 ( -2.288 -1.999 -1.098) 3.231 13.058 ( 1.419 -0.600 12.286) 12.382 14.046 ( -3.881 5.991 -7.220) 10.153 14.354 ( -8.975 16.363 -9.115) 20.770 21.635 ( -4.362 6.562 1.096) 7.955 22.107 ( -0.441 -1.335 1.102) 1.786 22.320 ( -1.977 -0.183 0.316) 2.010 22.359 ( 3.189 3.451 -4.785) 6.706 22.716 ( 5.213 -1.626 -10.841) 12.138 23.728 ( -1.254 -1.169 -1.813) 2.495 23.842 ( 0.541 -0.260 0.732) 0.946 24.633 ( 0.057 -8.031 16.266) 18.141 ======================= Grid point 88 (64/131) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -12.921 28.789 -0.000) 31.556 1.972 ( 10.662 29.784 -0.000) 31.635 3.513 ( -8.185 -0.878 0.000) 8.232 3.645 ( 5.349 18.235 -0.000) 19.004 3.775 ( 10.522 19.951 -0.000) 22.556 3.850 ( -3.386 -4.215 0.000) 5.407 4.773 ( 3.612 8.673 -0.000) 9.394 4.992 ( 1.532 -7.380 0.000) 7.537 5.265 ( 3.496 3.125 -0.000) 4.689 5.602 ( 3.089 5.488 -0.000) 6.298 5.832 ( 7.137 -4.148 0.000) 8.255 5.974 ( -8.693 -3.154 0.000) 9.247 6.381 ( 4.319 -12.740 0.000) 13.452 7.128 ( -10.027 -22.624 0.000) 24.747 7.266 ( -5.213 -6.060 0.000) 7.994 7.786 ( 5.027 13.220 -0.000) 14.144 8.619 ( -6.188 -1.996 0.000) 6.502 8.624 ( 5.040 -3.579 0.000) 6.181 9.377 ( 1.894 12.776 -0.000) 12.916 10.127 ( -0.022 -6.087 0.000) 6.087 10.684 ( -22.628 4.778 0.000) 23.127 11.421 ( 13.518 3.362 -0.000) 13.930 11.869 ( -0.590 -17.519 0.000) 17.529 12.824 ( -0.539 7.593 -0.000) 7.612 12.965 ( 1.757 -7.805 0.000) 8.000 13.289 ( -0.071 -4.876 0.000) 4.877 13.653 ( 1.321 3.979 -0.000) 4.193 13.713 ( -6.440 -3.472 0.000) 7.316 21.761 ( 7.826 1.776 -0.000) 8.025 21.787 ( -2.054 -6.497 0.000) 6.814 22.278 ( -7.911 1.484 0.000) 8.049 22.422 ( 4.608 1.854 -0.000) 4.967 22.554 ( 2.717 1.445 -0.000) 3.078 23.718 ( -0.015 1.748 -0.000) 1.748 23.834 ( -0.304 -0.239 0.000) 0.387 25.139 ( -6.704 -4.168 0.000) 7.894 ======================= Grid point 89 (65/131) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 1.517 21.873 -0.000) 21.926 2.741 ( 12.845 21.256 -0.000) 24.836 3.277 ( -7.256 -6.609 0.000) 9.815 3.526 ( -12.129 -6.481 0.000) 13.751 3.600 ( 1.616 -5.289 0.000) 5.530 4.497 ( -3.911 14.478 -0.000) 14.996 4.855 ( -0.281 -7.299 0.000) 7.305 4.991 ( 3.688 1.298 -0.000) 3.909 5.498 ( 10.001 0.428 -0.000) 10.010 5.586 ( -16.648 -3.372 0.000) 16.986 5.759 ( -0.087 0.327 -0.000) 0.339 5.794 ( 3.754 7.258 -0.000) 8.171 6.271 ( 5.738 -8.015 0.000) 9.858 6.500 ( -11.216 -16.440 0.000) 19.902 7.274 ( 11.470 -4.584 0.000) 12.352 8.184 ( 5.490 14.677 -0.000) 15.670 8.434 ( -9.207 0.199 0.000) 9.209 8.625 ( 4.587 -7.977 0.000) 9.201 9.557 ( -3.088 6.418 -0.000) 7.123 9.947 ( -4.048 -8.025 0.000) 8.989 10.447 ( -11.865 8.195 -0.000) 14.420 11.594 ( 1.396 -11.177 0.000) 11.264 11.743 ( 10.619 4.797 -0.000) 11.652 12.854 ( -8.549 4.039 -0.000) 9.455 12.883 ( 4.104 -5.972 0.000) 7.246 13.271 ( 5.746 -2.095 0.000) 6.116 13.461 ( -10.682 -4.749 0.000) 11.690 13.749 ( -1.125 5.357 -0.000) 5.474 21.642 ( 0.269 -6.702 0.000) 6.707 22.050 ( 2.303 11.794 -0.000) 12.017 22.154 ( 1.223 -2.193 0.000) 2.511 22.522 ( 2.037 1.554 -0.000) 2.562 22.596 ( 3.435 -2.309 0.000) 4.139 23.737 ( -0.157 0.438 -0.000) 0.465 23.834 ( -1.123 1.803 -0.000) 2.124 24.832 ( -13.345 -7.056 0.000) 15.095 ======================= Grid point 90 (66/131) ======================= q-point: (-0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 12.750 -3.980 -25.972) 29.205 1.908 ( 20.041 -8.364 -20.420) 29.809 3.338 ( 9.145 1.592 2.200) 9.539 3.373 ( 7.286 -4.552 0.181) 8.593 3.637 ( 21.662 -9.973 -9.499) 25.670 4.074 ( -3.453 -0.538 -9.354) 9.985 4.550 ( 4.583 -5.485 2.731) 7.651 4.748 ( 9.634 -2.039 16.854) 19.519 5.002 ( 1.080 7.400 2.031) 7.749 5.262 ( -4.562 -0.879 0.290) 4.655 5.632 ( -0.515 -4.480 11.662) 12.503 5.909 ( 0.583 -2.917 10.913) 11.311 6.575 ( -8.290 -1.512 1.915) 8.641 7.132 ( 2.187 1.939 6.558) 7.180 7.367 ( -1.395 6.887 5.978) 9.225 7.565 ( 1.945 -3.043 1.166) 3.795 8.568 ( -1.343 1.804 2.629) 3.460 8.803 ( 4.135 -2.724 7.215) 8.751 9.418 ( -10.204 4.376 -17.161) 20.440 10.479 ( -6.451 6.789 0.346) 9.371 10.708 ( 0.616 10.110 -14.031) 17.305 11.448 ( -2.462 -11.463 -2.055) 11.903 12.192 ( -8.342 -2.367 3.952) 9.530 12.349 ( 11.401 -3.484 6.342) 13.504 12.692 ( 5.691 2.017 -0.313) 6.046 13.063 ( 1.349 -1.722 12.544) 12.734 13.991 ( -10.548 4.686 -6.854) 13.424 14.405 ( -12.160 8.198 -9.650) 17.555 21.685 ( -5.062 7.231 0.523) 8.842 21.908 ( -6.678 -4.863 1.642) 8.423 22.295 ( -1.500 2.311 -1.444) 3.110 22.437 ( 1.506 -1.712 -0.072) 2.281 22.834 ( 5.743 -4.666 -15.306) 17.001 23.717 ( 0.244 1.368 -1.751) 2.235 23.854 ( 1.217 -0.489 0.327) 1.352 24.615 ( 7.361 -0.136 18.601) 20.005 ======================= Grid point 92 (67/131) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 5.769 17.048 -0.000) 17.998 2.696 ( -5.176 -16.250 0.000) 17.054 3.246 ( -8.329 -0.062 0.000) 8.330 3.465 ( -6.466 -8.432 0.000) 10.626 3.609 ( 9.176 24.108 -0.000) 25.795 4.154 ( -12.793 -9.788 0.000) 16.108 4.708 ( -2.925 -5.026 0.000) 5.815 4.956 ( -8.566 -2.938 0.000) 9.055 5.470 ( 0.617 5.666 -0.000) 5.699 5.482 ( 6.637 -16.239 0.000) 17.543 5.935 ( 3.076 5.622 -0.000) 6.409 5.989 ( 4.943 2.179 -0.000) 5.402 6.218 ( -4.581 2.145 -0.000) 5.059 6.259 ( 3.901 -2.287 0.000) 4.522 7.390 ( 12.416 -7.359 0.000) 14.433 8.279 ( -6.616 -0.070 0.000) 6.617 8.481 ( 2.081 7.559 -0.000) 7.841 8.495 ( -1.839 -7.444 0.000) 7.668 9.569 ( -3.769 4.313 -0.000) 5.727 9.725 ( -7.489 -1.679 0.000) 7.675 10.553 ( 4.779 8.655 -0.000) 9.886 11.414 ( -4.250 -7.638 0.000) 8.741 12.028 ( 7.395 6.644 -0.000) 9.941 12.752 ( -6.980 3.325 -0.000) 7.732 12.886 ( 4.320 -2.866 0.000) 5.185 13.121 ( -7.157 -10.129 0.000) 12.402 13.367 ( 1.356 2.005 -0.000) 2.421 13.815 ( -3.503 6.237 -0.000) 7.153 21.536 ( 1.573 -5.983 0.000) 6.186 21.970 ( -9.575 2.627 -0.000) 9.929 22.411 ( 4.135 -0.036 -0.000) 4.135 22.563 ( 0.189 0.593 -0.000) 0.622 22.778 ( 17.337 7.976 -0.000) 19.083 23.736 ( 0.351 -0.384 0.000) 0.520 23.856 ( -2.307 3.545 -0.000) 4.230 24.362 ( -17.857 -9.295 0.000) 20.131 ======================= Grid point 93 (68/131) ======================= q-point: ( 0.10 0.90 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 4.303 -1.257 0.000) 4.483 2.733 ( 5.678 12.314 -0.000) 13.560 3.114 ( -9.369 -0.586 0.000) 9.387 3.180 ( -2.426 6.529 -0.000) 6.965 3.976 ( -2.665 -2.403 0.000) 3.588 4.152 ( -3.311 17.523 -0.000) 17.833 4.570 ( 2.327 -2.498 0.000) 3.414 4.629 ( -7.756 -7.744 0.000) 10.960 5.353 ( 11.200 -13.137 0.000) 17.264 5.637 ( 5.409 0.318 -0.000) 5.418 5.990 ( -1.197 2.428 -0.000) 2.707 6.077 ( 4.972 -1.666 0.000) 5.244 6.165 ( -6.664 0.009 0.000) 6.664 6.300 ( 1.202 -0.990 0.000) 1.557 7.505 ( 12.414 -5.122 0.000) 13.429 8.166 ( -2.879 -3.143 0.000) 4.262 8.294 ( -7.359 -3.351 0.000) 8.085 8.634 ( 3.197 5.525 -0.000) 6.383 9.591 ( -8.988 3.680 -0.000) 9.713 9.657 ( -0.260 9.743 -0.000) 9.747 10.897 ( 14.248 5.544 -0.000) 15.289 11.060 ( -13.434 -10.499 0.000) 17.050 12.279 ( 3.955 6.827 -0.000) 7.890 12.619 ( -11.052 -3.186 0.000) 11.502 12.922 ( 3.626 -0.932 0.000) 3.744 12.937 ( 3.398 -0.702 -0.000) 3.470 13.380 ( 0.034 -2.101 0.000) 2.102 13.863 ( -5.470 7.484 -0.000) 9.270 21.472 ( 2.961 -4.980 0.000) 5.794 21.874 ( -5.582 3.195 -0.000) 6.432 22.381 ( 2.582 -6.302 0.000) 6.810 22.562 ( -0.509 -0.115 0.000) 0.522 23.382 ( 15.508 13.530 -0.000) 20.580 23.777 ( 4.520 2.988 -0.000) 5.418 23.802 ( -20.263 -7.027 0.000) 21.447 23.874 ( -2.583 1.069 -0.000) 2.795 ======================= Grid point 96 (69/131) ======================= q-point: ( 0.60 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -12.967 -8.153 12.238) 19.605 2.936 ( 8.649 3.407 6.890) 11.571 3.181 ( 0.650 -0.947 1.535) 1.917 3.352 ( -5.098 -1.327 -5.606) 7.693 3.774 ( 2.514 -1.692 3.942) 4.972 4.432 ( 5.751 -15.522 -3.279) 16.875 4.831 ( -2.522 -3.476 -3.498) 5.539 4.935 ( 5.151 -5.415 -4.858) 8.914 5.097 ( 4.929 10.144 -4.161) 12.021 5.524 ( -10.570 -0.238 -2.808) 10.940 5.774 ( 8.130 3.398 5.601) 10.441 6.053 ( -3.002 4.096 2.538) 5.677 6.212 ( -4.372 4.761 0.761) 6.509 6.412 ( -4.815 -10.254 0.565) 11.342 7.196 ( 4.646 10.091 3.821) 11.748 8.174 ( 7.259 0.066 -2.852) 7.800 8.276 ( -6.885 1.412 -6.250) 9.406 8.922 ( 1.346 -2.051 2.248) 3.327 9.380 ( 2.501 -1.892 2.166) 3.812 10.015 ( 0.872 -1.401 3.226) 3.623 10.608 ( 2.774 -11.204 -0.176) 11.543 11.328 ( -8.726 1.261 -3.106) 9.348 12.027 ( -0.129 7.009 4.687) 8.433 12.637 ( 1.888 -2.876 -3.230) 4.719 13.010 ( -2.802 1.998 2.189) 4.078 13.109 ( 3.506 5.605 -2.130) 6.946 13.420 ( -3.078 -12.406 -2.882) 13.103 13.922 ( 2.282 -2.367 2.721) 4.267 21.464 ( 0.749 -0.169 -2.037) 2.176 22.065 ( -6.351 3.439 -5.549) 9.108 22.145 ( 0.749 1.805 0.771) 2.101 22.477 ( 2.140 0.841 1.415) 2.700 22.964 ( 3.613 4.974 8.368) 10.383 23.712 ( -0.898 -1.408 -0.919) 1.906 23.879 ( 0.729 0.398 -0.300) 0.883 24.587 ( -0.566 -14.797 -2.732) 15.058 ======================= Grid point 98 (70/131) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -3.103 10.470 -0.000) 10.920 3.021 ( 5.959 8.201 -0.000) 10.137 3.232 ( 3.084 12.574 -0.000) 12.947 3.518 ( 17.334 12.407 -0.000) 21.316 3.603 ( -20.485 -10.402 0.000) 22.975 4.050 ( -17.100 3.907 -0.000) 17.541 4.606 ( 9.181 1.952 -0.000) 9.386 4.757 ( 5.309 -0.297 -0.000) 5.318 5.350 ( 9.443 -7.646 0.000) 12.150 5.595 ( 2.309 -11.140 0.000) 11.377 5.939 ( -12.795 -1.548 0.000) 12.888 6.124 ( -0.895 10.938 -0.000) 10.974 6.218 ( 11.175 2.118 -0.000) 11.374 6.241 ( 1.130 -4.346 0.000) 4.491 7.679 ( 11.465 -0.875 -0.000) 11.498 7.958 ( -1.975 -15.505 0.000) 15.631 8.105 ( -11.373 2.922 -0.000) 11.742 8.854 ( 8.248 4.334 -0.000) 9.318 9.502 ( -10.323 6.452 -0.000) 12.173 9.914 ( 1.464 12.716 -0.000) 12.800 10.577 ( -14.063 -7.296 0.000) 15.843 11.272 ( 17.069 1.095 -0.000) 17.104 12.316 ( -8.725 -5.970 0.000) 10.572 12.425 ( -0.680 5.480 -0.000) 5.522 13.023 ( 6.151 1.543 -0.000) 6.341 13.077 ( 5.146 3.127 -0.000) 6.022 13.304 ( -0.000 -4.697 0.000) 4.697 13.880 ( -7.499 6.967 -0.000) 10.236 21.457 ( 4.469 -4.019 0.000) 6.010 21.884 ( -1.867 5.122 -0.000) 5.451 22.300 ( 3.790 -8.317 0.000) 9.140 22.537 ( -1.495 -0.731 0.000) 1.665 23.283 ( -17.399 -6.395 0.000) 18.537 23.652 ( 2.661 1.753 -0.000) 3.186 23.850 ( -3.300 1.289 -0.000) 3.543 24.210 ( 13.883 16.141 -0.000) 21.290 ======================= Grid point 99 (71/131) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -19.277 12.781 -0.000) 23.129 2.815 ( -27.571 -14.218 0.000) 31.021 3.293 ( 4.772 7.892 -0.000) 9.223 3.674 ( 8.828 12.373 -0.000) 15.199 3.770 ( 1.212 -8.348 0.000) 8.435 3.954 ( -16.808 3.688 0.000) 17.208 4.716 ( 14.758 -8.458 0.000) 17.010 4.881 ( 9.439 5.082 -0.000) 10.720 5.332 ( -4.880 -12.592 0.000) 13.504 5.377 ( -3.077 0.738 -0.000) 3.164 5.809 ( -1.814 7.984 -0.000) 8.187 5.987 ( -7.503 -6.095 0.000) 9.667 6.583 ( 15.565 12.547 -0.000) 19.992 6.603 ( 15.016 9.805 -0.000) 17.934 7.461 ( -8.043 -24.496 0.000) 25.782 7.921 ( 10.863 3.567 -0.000) 11.434 7.929 ( -11.589 1.137 0.000) 11.645 9.034 ( 7.808 -3.875 0.000) 8.717 9.424 ( -12.883 7.792 -0.000) 15.056 10.051 ( 1.547 -1.314 0.000) 2.030 10.427 ( -8.003 13.724 -0.000) 15.887 11.610 ( 18.402 -1.438 -0.000) 18.458 12.051 ( -6.620 -6.760 0.000) 9.461 12.515 ( -1.933 7.129 -0.000) 7.386 13.155 ( 8.421 -10.089 0.000) 13.142 13.186 ( 6.509 1.517 -0.000) 6.684 13.294 ( -1.922 7.624 -0.000) 7.862 13.850 ( -6.647 4.743 -0.000) 8.166 21.488 ( 5.230 -2.534 0.000) 5.812 21.984 ( 0.377 6.061 -0.000) 6.073 22.204 ( 3.991 -9.216 0.000) 10.043 22.473 ( -3.517 -0.339 0.000) 3.533 22.899 ( -11.535 -4.404 0.000) 12.347 23.727 ( 2.232 1.644 -0.000) 2.772 23.800 ( -2.978 -0.070 0.000) 2.979 24.739 ( 9.357 13.549 -0.000) 16.466 ======================= Grid point 100 (72/131) ======================= q-point: ( 0.60 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -10.750 3.799 10.658) 15.607 3.051 ( 8.331 -5.440 1.551) 10.070 3.072 ( -9.351 2.979 -3.192) 10.320 3.174 ( -1.920 -7.192 -0.133) 7.445 3.929 ( 6.649 2.577 7.960) 10.687 4.228 ( 7.171 -17.537 -2.089) 19.061 4.746 ( -0.116 -1.383 -7.550) 7.677 4.807 ( 0.514 -5.927 -1.929) 6.254 5.261 ( -11.477 7.424 -5.938) 14.903 5.532 ( 1.663 10.798 -3.770) 11.557 5.815 ( -11.670 6.812 4.932) 14.385 6.109 ( 0.788 -2.155 3.520) 4.202 6.239 ( 7.290 -3.070 -3.216) 8.539 6.356 ( 6.569 -0.095 -0.458) 6.586 7.393 ( -2.549 6.160 -1.681) 6.875 8.020 ( -7.909 -0.436 0.826) 7.964 8.456 ( 10.582 1.912 -7.372) 13.038 8.803 ( -3.074 -7.770 2.822) 8.820 9.382 ( -1.053 -0.044 4.498) 4.620 9.918 ( 4.633 -10.395 1.498) 11.479 10.558 ( -3.788 3.221 7.315) 8.845 11.318 ( 5.599 1.158 -8.727) 10.433 12.169 ( 2.206 4.197 6.936) 8.402 12.590 ( -1.117 -5.360 -2.177) 5.892 12.905 ( -5.217 2.311 -2.200) 6.116 13.223 ( 1.315 -0.713 -6.446) 6.617 13.314 ( 4.239 -1.758 2.023) 5.015 13.889 ( 3.346 -6.069 5.401) 8.786 21.495 ( 0.026 1.388 -4.259) 4.479 21.947 ( 0.930 -4.857 0.090) 4.946 22.286 ( -1.298 8.997 -1.957) 9.298 22.511 ( -0.423 0.237 1.046) 1.153 23.108 ( -1.341 4.637 12.879) 13.754 23.690 ( -0.217 0.789 -1.189) 1.444 23.867 ( -0.290 -1.992 1.733) 2.656 24.310 ( 4.995 -14.142 -9.414) 17.708 ======================= Grid point 101 (73/131) ======================= q-point: ( 0.60 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 2.743 12.802 -0.134) 13.094 2.978 ( -1.708 -3.694 -9.943) 10.744 3.116 ( 2.595 1.774 -0.181) 3.149 3.213 ( 11.650 2.044 4.055) 12.503 3.887 ( -6.940 -5.007 -0.428) 8.568 4.133 ( 11.602 -7.593 6.482) 15.306 4.786 ( 2.259 2.387 -2.616) 4.200 4.793 ( 6.359 -3.419 0.588) 7.244 5.205 ( -12.940 9.391 -7.246) 17.554 5.646 ( -3.762 6.807 -0.969) 7.837 5.711 ( -8.658 1.976 3.633) 9.595 6.090 ( 0.673 0.268 -0.734) 1.032 6.320 ( 7.683 -7.877 -0.429) 11.011 6.425 ( 4.272 -4.570 -2.139) 6.611 7.331 ( -10.610 3.245 -5.994) 12.611 8.003 ( -1.448 7.436 5.736) 9.502 8.506 ( -0.157 -12.107 -0.420) 12.116 8.756 ( 6.295 5.412 -3.177) 8.888 9.335 ( -2.253 0.673 4.117) 4.742 9.934 ( 9.618 -3.801 -1.976) 10.529 10.503 ( -5.108 2.706 6.304) 8.553 11.456 ( 6.713 -5.169 -5.236) 9.960 12.148 ( -3.821 -3.158 1.231) 5.108 12.536 ( 1.704 2.034 4.307) 5.058 12.986 ( 0.832 7.445 -3.061) 8.092 13.166 ( -2.530 -3.428 -7.037) 8.226 13.349 ( 5.227 -4.719 3.861) 8.031 13.862 ( 3.981 -3.022 3.665) 6.198 21.484 ( -2.044 0.038 -2.165) 2.978 21.969 ( 6.966 -1.330 2.365) 7.476 22.392 ( -3.502 0.965 -0.082) 3.633 22.442 ( -4.056 0.740 0.748) 4.190 23.037 ( -8.715 1.749 1.692) 9.049 23.708 ( 0.033 0.172 0.281) 0.331 23.856 ( 1.330 0.305 2.289) 2.665 24.324 ( 14.764 -4.998 -5.256) 16.449 ======================= Grid point 102 (74/131) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -30.571 -11.198 0.000) 32.557 2.326 ( -29.601 -2.673 0.000) 29.722 3.193 ( -40.149 -10.166 0.000) 41.416 3.506 ( 1.660 7.384 -0.000) 7.568 3.731 ( 3.538 -0.379 -0.000) 3.559 3.956 ( 0.822 1.367 -0.000) 1.596 4.757 ( -2.416 -5.290 0.000) 5.815 5.011 ( -0.152 -5.271 0.000) 5.273 5.149 ( 5.671 2.959 -0.000) 6.397 5.518 ( 5.364 7.684 -0.000) 9.371 5.708 ( -7.635 -6.535 0.000) 10.050 6.013 ( 5.738 4.567 -0.000) 7.334 6.750 ( -2.720 -22.859 0.000) 23.020 7.177 ( 21.263 8.747 -0.000) 22.992 7.203 ( 12.405 13.874 -0.000) 18.611 7.685 ( -12.716 -1.626 0.000) 12.820 8.235 ( 9.314 7.821 -0.000) 12.162 8.993 ( 1.790 -9.151 0.000) 9.324 9.272 ( -14.730 4.277 -0.000) 15.338 10.106 ( 5.299 0.344 -0.000) 5.311 10.587 ( -6.690 16.107 -0.000) 17.441 11.748 ( -5.736 -12.998 0.000) 14.208 11.940 ( 19.018 -2.316 -0.000) 19.158 12.618 ( -3.188 7.749 -0.000) 8.379 13.113 ( 7.989 -9.795 0.000) 12.640 13.313 ( 4.520 0.311 -0.000) 4.530 13.435 ( -1.137 8.679 -0.000) 8.753 13.828 ( -1.849 1.782 -0.000) 2.568 21.566 ( 4.965 0.431 -0.000) 4.984 22.071 ( 6.737 -9.713 0.000) 11.820 22.146 ( -2.088 6.764 -0.000) 7.079 22.415 ( -3.488 1.885 -0.000) 3.965 22.628 ( -7.092 -5.553 0.000) 9.008 23.736 ( -2.679 -0.661 0.000) 2.759 23.800 ( 1.880 1.517 -0.000) 2.416 25.089 ( 4.946 8.136 -0.000) 9.522 ======================= Grid point 108 (75/131) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 0.000 -31.716) 31.716 0.687 ( -0.000 0.000 -31.716) 31.716 1.248 ( -0.000 0.000 -57.282) 57.282 3.473 ( 0.000 -0.000 6.178) 6.178 3.473 ( 0.000 -0.000 6.178) 6.178 3.978 ( -0.000 0.000 -9.280) 9.280 4.362 ( 0.000 -0.000 0.062) 0.062 4.362 ( 0.000 -0.000 0.062) 0.062 5.243 ( 0.000 -0.000 3.958) 3.958 5.243 ( 0.000 -0.000 3.958) 3.958 6.132 ( 0.000 -0.000 11.926) 11.926 6.218 ( 0.000 -0.000 10.701) 10.701 6.689 ( -0.000 0.000 -5.269) 5.269 7.098 ( 0.000 -0.000 3.234) 3.234 7.098 ( 0.000 -0.000 3.234) 3.234 8.009 ( 0.000 -0.000 8.431) 8.431 8.680 ( 0.000 -0.000 2.296) 2.296 8.680 ( 0.000 -0.000 2.296) 2.296 10.148 ( -0.000 0.000 -0.627) 0.627 10.448 ( -0.000 0.000 -14.973) 14.973 10.827 ( 0.000 -0.000 1.271) 1.271 11.250 ( -0.000 0.000 -2.617) 2.617 11.250 ( -0.000 0.000 -2.617) 2.617 12.576 ( -0.000 0.000 -0.976) 0.976 12.576 ( -0.000 0.000 -0.976) 0.976 13.341 ( 0.000 -0.000 14.627) 14.627 14.025 ( -0.000 0.000 -8.890) 8.890 15.117 ( 0.000 -0.000 3.457) 3.457 22.102 ( 0.000 -0.000 0.919) 0.919 22.102 ( 0.000 -0.000 0.919) 0.919 22.322 ( -0.000 0.000 -8.340) 8.340 22.348 ( -0.000 0.000 -1.120) 1.120 22.348 ( -0.000 0.000 -1.120) 1.120 23.644 ( -0.000 0.000 -1.884) 1.884 23.852 ( 0.000 -0.000 2.574) 2.574 24.310 ( 0.000 -0.000 3.914) 3.914 ======================= Grid point 109 (76/131) ======================= q-point: ( 0.38 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -7.617 11.664 -6.430) 15.343 3.031 ( -10.043 7.694 3.504) 13.128 3.258 ( 0.058 -2.487 -5.847) 6.354 3.310 ( -0.029 -0.735 -1.375) 1.560 3.741 ( 2.280 -8.393 5.038) 10.051 4.445 ( 1.217 -4.676 7.499) 8.921 4.805 ( 2.362 0.764 -4.514) 5.152 5.071 ( 7.707 0.331 11.983) 14.251 5.177 ( 2.231 1.481 -0.787) 2.791 5.523 ( 4.975 -2.447 0.192) 5.547 5.804 ( -2.086 -2.995 -0.540) 3.690 6.010 ( -2.677 1.111 -13.182) 13.497 6.153 ( -4.791 -5.391 -1.710) 7.412 6.653 ( -1.241 -2.518 2.870) 4.015 6.960 ( -4.110 3.994 -2.167) 6.126 8.125 ( 3.946 -11.005 3.855) 12.310 8.198 ( 5.008 9.994 1.104) 11.233 8.763 ( -2.489 -2.902 7.678) 8.577 9.618 ( -2.237 0.793 -11.388) 11.633 9.961 ( -1.790 0.973 3.114) 3.721 11.173 ( 0.609 3.707 -1.549) 4.064 11.276 ( 3.001 -0.997 -3.773) 4.923 11.678 ( -4.802 2.980 4.010) 6.929 12.711 ( -2.107 -2.880 0.844) 3.666 12.883 ( 6.284 -2.170 1.029) 6.728 13.025 ( -2.231 -5.139 -0.681) 5.643 13.738 ( 7.083 1.021 3.925) 8.162 13.940 ( -6.828 8.045 -3.311) 11.059 21.605 ( 7.024 1.480 -0.661) 7.209 21.665 ( -3.989 -2.670 -0.038) 4.800 22.337 ( 3.681 1.310 -1.634) 4.235 22.454 ( -1.199 -0.676 0.429) 1.442 22.811 ( -7.019 4.928 2.467) 8.924 23.801 ( 2.177 -0.041 -0.006) 2.177 23.808 ( -1.469 1.175 0.039) 1.881 24.921 ( 1.666 -6.687 -1.058) 6.972 ======================= Grid point 110 (77/131) ======================= q-point: (-0.62 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -1.812 -15.963 -6.843) 17.462 2.886 ( -8.934 0.422 0.615) 8.965 3.151 ( -2.829 4.256 1.424) 5.305 3.573 ( 4.094 -7.974 0.668) 8.988 3.682 ( -0.443 15.000 2.609) 15.232 4.266 ( -0.595 -12.396 7.105) 14.300 4.802 ( -0.806 -2.138 3.462) 4.148 4.951 ( 0.621 -12.508 -4.469) 13.297 5.145 ( -3.058 -4.691 -2.958) 6.333 5.445 ( 2.438 -9.849 -4.249) 11.000 5.722 ( -0.178 -6.706 2.158) 7.047 5.841 ( 4.990 -4.949 0.905) 7.086 6.422 ( 4.334 17.206 2.445) 17.911 6.648 ( -7.582 7.279 4.071) 11.271 6.972 ( -3.737 3.284 -0.393) 4.990 7.978 ( 5.567 -12.535 -2.778) 13.994 8.438 ( 3.243 6.166 0.884) 7.023 8.683 ( -0.160 -3.638 9.577) 10.246 9.530 ( -2.594 -0.987 -11.685) 12.010 9.970 ( -2.835 4.001 6.993) 8.541 10.959 ( -12.639 1.814 -10.355) 16.439 11.525 ( -1.486 10.594 4.290) 11.526 11.857 ( 12.775 3.960 -0.223) 13.376 12.685 ( -0.973 0.530 1.449) 1.824 12.802 ( 3.638 -10.693 1.239) 11.363 12.927 ( 0.040 -5.212 2.988) 6.008 13.890 ( -0.063 5.341 -1.437) 5.531 13.958 ( -9.004 11.202 -2.939) 14.669 21.502 ( -3.887 -0.882 -0.141) 3.988 21.966 ( 13.841 5.332 -0.317) 14.836 22.370 ( -2.499 1.659 -3.500) 4.609 22.399 ( -0.946 -2.264 -1.801) 3.044 22.774 ( -2.292 3.312 4.027) 5.696 23.774 ( -2.610 0.225 -0.509) 2.668 23.861 ( 2.802 0.056 -0.612) 2.869 24.723 ( -6.376 -8.277 2.640) 10.776 ======================= Grid point 113 (78/131) ======================= q-point: (-0.62 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 1.087 -7.628 -8.331) 11.347 2.793 ( 5.565 -6.996 -6.840) 11.256 3.163 ( -4.447 1.643 5.122) 6.980 3.337 ( -5.896 -7.466 3.789) 10.240 3.938 ( 2.618 7.631 0.987) 8.127 4.194 ( 9.756 -1.481 4.765) 10.958 4.697 ( 2.977 -9.885 -3.170) 10.799 4.787 ( -1.897 -3.526 -3.358) 5.226 5.020 ( -8.443 3.814 2.447) 9.582 5.318 ( 7.275 -12.969 -4.742) 15.608 5.594 ( 2.684 -6.044 2.570) 7.095 5.920 ( 9.947 -5.424 8.489) 14.157 6.541 ( -10.964 0.637 4.087) 11.718 6.749 ( -11.407 17.873 2.850) 21.393 6.996 ( 9.224 -0.820 2.111) 9.498 7.873 ( 5.549 -9.552 -4.428) 11.902 8.576 ( -1.617 1.119 5.609) 5.944 8.610 ( 3.321 -0.976 3.628) 5.014 9.542 ( 0.048 4.221 -13.051) 13.717 10.009 ( -2.353 5.886 7.792) 10.045 10.836 ( -8.426 6.644 -14.099) 17.718 11.564 ( -9.626 3.152 7.014) 12.321 12.188 ( 9.510 5.155 -2.327) 11.065 12.567 ( -0.501 -9.872 0.198) 9.887 12.691 ( 2.456 -6.589 0.175) 7.034 12.900 ( 3.661 -0.592 8.306) 9.096 13.856 ( -14.983 9.091 -4.505) 18.095 14.095 ( -0.973 9.678 -1.903) 9.911 21.449 ( -2.559 1.491 1.549) 3.343 22.082 ( -3.889 -2.429 0.705) 4.639 22.279 ( -2.155 -3.143 1.288) 4.022 22.478 ( 3.281 1.395 -3.915) 5.295 23.017 ( 13.159 12.018 -6.427) 18.945 23.724 ( -1.835 -0.719 -0.623) 2.067 23.882 ( 0.852 -2.047 -0.329) 2.242 24.406 ( -9.540 -5.874 7.980) 13.755 ======================= Grid point 114 (79/131) ======================= q-point: (-0.62 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 12.499 5.527 -17.560) 22.252 2.780 ( 10.862 -9.197 -10.166) 17.490 3.191 ( 5.155 4.568 5.006) 8.514 3.208 ( -2.234 1.043 5.159) 5.718 4.131 ( -2.982 4.267 0.859) 5.277 4.416 ( 11.906 0.866 7.584) 14.143 4.536 ( -4.306 -7.947 5.158) 10.407 4.651 ( 4.219 -2.828 -6.197) 8.012 5.056 ( 0.382 6.107 -0.440) 6.134 5.261 ( 5.911 -4.615 2.728) 7.980 5.580 ( 8.352 -7.704 -2.592) 11.654 5.953 ( 6.837 -8.213 7.013) 12.782 6.319 ( -9.261 -0.410 3.495) 9.907 6.741 ( -14.254 11.234 2.153) 18.276 7.254 ( 8.786 3.687 -0.291) 9.532 7.803 ( 4.441 -7.629 0.084) 8.828 8.478 ( -4.676 -1.407 2.164) 5.342 8.716 ( 3.822 0.450 6.950) 7.945 9.620 ( 0.452 1.863 -13.569) 13.704 10.142 ( -1.305 9.337 5.356) 10.843 10.843 ( -5.083 6.709 -14.558) 16.816 11.331 ( -13.243 1.122 7.015) 15.028 12.201 ( -1.563 -11.793 -3.042) 12.279 12.501 ( 6.473 -0.863 3.236) 7.288 12.751 ( 5.943 2.579 -0.482) 6.497 12.938 ( 3.062 -3.353 8.271) 9.435 13.716 ( -14.230 7.357 -2.889) 16.277 14.227 ( -5.151 8.327 -3.668) 10.456 21.450 ( -2.665 3.791 2.195) 5.127 21.916 ( -2.109 -6.684 1.295) 7.128 22.220 ( -2.360 1.998 -0.111) 3.094 22.501 ( 1.033 -1.776 -0.492) 2.113 23.361 ( 1.138 -3.696 -16.933) 17.369 23.685 ( -0.983 1.490 0.055) 1.787 23.906 ( 3.284 1.766 -0.749) 3.803 24.267 ( 1.253 5.536 15.500) 16.507 ======================= Grid point 115 (80/131) ======================= q-point: (-0.13 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 22.723 -0.097 -5.696) 23.426 2.713 ( 20.124 18.252 -4.379) 27.519 3.207 ( -5.057 -4.939 1.346) 7.196 3.436 ( -7.089 -13.196 8.144) 17.050 3.797 ( -1.726 -1.382 -9.307) 9.566 4.184 ( -1.027 12.741 -4.754) 13.638 4.899 ( -3.972 -4.473 3.828) 7.102 4.981 ( -12.896 -6.581 10.002) 17.597 5.284 ( 13.467 9.434 1.702) 16.531 5.381 ( 4.013 14.791 5.514) 16.288 5.738 ( -1.527 -3.748 1.750) 4.409 5.981 ( 2.828 -0.031 -7.408) 7.930 6.508 ( -1.524 -12.170 2.832) 12.588 6.579 ( -12.932 -15.334 0.928) 20.080 7.444 ( 7.869 6.427 9.593) 13.974 7.847 ( 1.151 9.877 0.134) 9.944 8.435 ( -6.151 4.961 -17.219) 18.946 8.852 ( 3.512 -9.473 6.787) 12.171 9.311 ( -0.989 5.682 2.980) 6.492 10.029 ( -6.026 -9.341 -1.307) 11.193 10.305 ( 1.585 4.265 -5.843) 7.406 11.675 ( -0.455 -9.221 7.904) 12.154 12.044 ( 4.540 -0.931 -7.011) 8.405 12.540 ( -7.966 4.180 -0.218) 8.999 12.970 ( 5.016 -1.355 6.908) 8.643 13.334 ( -0.395 -1.301 -0.534) 1.461 13.398 ( -6.518 -2.991 3.152) 7.833 13.778 ( -2.756 -2.766 -9.284) 10.071 21.610 ( -2.987 1.781 6.354) 7.243 21.922 ( -2.064 -3.334 -5.284) 6.580 22.326 ( 8.068 -0.634 1.937) 8.322 22.453 ( -2.296 4.790 -0.334) 5.322 22.820 ( 6.366 2.642 -7.080) 9.881 23.715 ( 0.456 -0.011 1.490) 1.558 23.813 ( -1.315 0.109 -2.593) 2.910 24.642 ( -11.136 -8.901 6.792) 15.791 ======================= Grid point 116 (81/131) ======================= q-point: (-0.13 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 13.723 2.359 -3.869) 14.452 2.939 ( -4.052 -13.747 0.710) 14.349 3.031 ( -8.375 -4.575 2.497) 9.865 3.257 ( -1.817 0.128 8.318) 8.515 3.720 ( 3.201 -0.425 -11.544) 11.988 4.016 ( -6.688 0.753 1.117) 6.823 4.709 ( -6.391 -3.286 0.107) 7.188 4.819 ( -4.297 -2.530 3.120) 5.882 5.478 ( 5.154 2.565 2.279) 6.191 5.762 ( 1.323 1.916 3.350) 4.079 5.865 ( 7.449 12.424 -2.838) 14.761 6.013 ( 0.855 -2.854 -4.748) 5.606 6.203 ( -0.878 -3.849 2.015) 4.433 6.339 ( -3.180 -3.640 -1.455) 5.048 7.659 ( 8.055 1.096 8.459) 11.732 7.942 ( -4.775 3.403 -0.281) 5.870 8.455 ( -6.392 7.927 -11.351) 15.250 8.661 ( 1.350 -12.805 6.377) 14.368 9.381 ( -0.171 3.671 1.355) 3.917 9.721 ( -5.326 -9.723 -1.229) 11.154 10.577 ( 10.208 10.910 -3.252) 15.290 11.427 ( -7.657 -8.180 4.121) 11.938 12.163 ( 7.168 0.700 -1.154) 7.294 12.473 ( -6.093 2.550 -0.634) 6.635 13.002 ( 2.197 -2.188 0.448) 3.133 13.108 ( -6.016 -4.110 -1.430) 7.425 13.468 ( 2.370 3.486 5.039) 6.570 13.678 ( -2.116 -2.957 -4.671) 5.920 21.608 ( -0.700 2.020 4.026) 4.559 21.793 ( -3.849 -3.269 -3.617) 6.212 22.472 ( 3.012 1.915 1.676) 3.944 22.496 ( -0.260 2.177 0.025) 2.192 23.083 ( 14.543 5.158 -4.933) 16.200 23.724 ( -1.355 1.601 0.166) 2.104 23.785 ( -0.528 -1.076 -1.258) 1.738 24.177 ( -14.824 -11.675 4.223) 19.336 ======================= Grid point 117 (82/131) ======================= q-point: (-0.62 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 14.772 -5.293 -16.370) 22.676 3.026 ( 14.752 5.707 -10.133) 18.785 3.215 ( -0.284 2.527 1.967) 3.215 3.409 ( -0.314 0.936 1.144) 1.511 3.829 ( -13.572 -4.731 3.843) 14.878 4.376 ( 3.133 -6.911 9.624) 12.255 4.712 ( 4.247 5.720 6.330) 9.530 4.804 ( 9.275 3.858 3.481) 10.631 5.184 ( 3.478 1.022 -3.279) 4.888 5.367 ( -0.569 8.642 5.018) 10.009 5.652 ( 17.509 -8.669 -6.412) 20.563 5.963 ( 9.793 -4.758 0.833) 10.919 6.176 ( -9.077 2.734 -0.037) 9.480 6.673 ( -10.473 7.218 2.113) 12.894 7.288 ( -6.751 -5.753 -9.220) 12.793 7.843 ( 10.812 -0.830 9.860) 14.656 8.342 ( -8.365 0.680 1.495) 8.524 8.758 ( 3.302 -2.841 7.620) 8.778 9.639 ( 1.281 -1.380 -13.363) 13.495 10.112 ( -7.273 -2.630 3.815) 8.624 10.997 ( 0.272 13.766 -6.743) 15.331 11.236 ( -6.237 7.021 0.940) 9.439 11.919 ( -0.965 -13.338 -0.644) 13.388 12.627 ( 5.115 2.264 -0.137) 5.595 12.858 ( 0.211 -4.006 7.620) 8.612 12.937 ( 6.277 -0.400 0.630) 6.322 13.653 ( -7.231 8.446 -0.276) 11.122 14.179 ( -9.253 1.098 -4.358) 10.287 21.498 ( -2.826 6.841 1.355) 7.525 21.762 ( 1.642 -8.459 0.772) 8.652 22.262 ( -1.655 5.629 -0.374) 5.879 22.476 ( 0.751 -2.246 0.040) 2.368 23.101 ( -6.305 -10.362 -6.437) 13.732 23.731 ( 0.278 3.091 0.095) 3.105 23.890 ( -1.856 -2.403 -0.913) 3.171 24.630 ( 10.260 10.615 6.121) 15.982 ======================= Grid point 119 (83/131) ======================= q-point: (-0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -3.140 -8.255 -3.873) 9.644 2.679 ( 3.140 8.255 -3.873) 9.644 2.926 ( -2.882 -5.773 5.237) 8.310 2.926 ( 2.882 5.773 5.237) 8.310 3.970 ( -3.180 -4.158 -0.506) 5.259 3.970 ( 3.180 4.158 -0.506) 5.259 4.639 ( -2.630 -2.893 -0.386) 3.928 4.639 ( 2.630 2.893 -0.386) 3.928 5.668 ( -3.324 -6.380 -1.955) 7.455 5.668 ( 3.324 6.380 -1.955) 7.455 6.035 ( 1.926 -3.912 0.042) 4.361 6.035 ( -1.926 3.912 0.042) 4.361 6.237 ( 0.141 -3.935 -0.432) 3.961 6.237 ( -0.141 3.935 -0.432) 3.961 7.834 ( 0.577 -6.391 2.664) 6.948 7.834 ( -0.577 6.391 2.664) 6.948 8.496 ( 4.860 -9.296 -0.815) 10.522 8.496 ( -4.860 9.296 -0.815) 10.522 9.489 ( -2.232 -5.922 0.145) 6.330 9.489 ( 2.232 5.922 0.145) 6.330 11.037 ( -12.100 -11.240 -0.288) 16.518 11.037 ( 12.100 11.240 -0.288) 16.518 12.345 ( -6.140 -2.723 1.398) 6.861 12.345 ( 6.140 2.723 1.398) 6.861 13.003 ( -0.208 -1.523 -2.044) 2.558 13.003 ( 0.208 1.523 -2.044) 2.558 13.577 ( 2.710 -6.818 0.660) 7.367 13.577 ( -2.710 6.818 0.660) 7.367 21.670 ( 1.239 -5.375 0.023) 5.516 21.670 ( -1.239 5.375 0.023) 5.516 22.514 ( 1.464 -1.956 0.234) 2.455 22.514 ( -1.464 1.956 0.234) 2.455 23.550 ( -15.553 -8.244 -1.885) 17.704 23.550 ( 15.553 8.244 -1.885) 17.704 23.797 ( -3.395 -1.756 1.659) 4.167 23.797 ( 3.395 1.756 1.659) 4.167 ======================= Grid point 129 (84/131) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -3.408 -15.847 -22.881) 28.041 1.983 ( 9.434 -24.610 -19.834) 32.986 3.241 ( -1.895 -22.807 -21.661) 31.511 3.452 ( 2.203 -10.094 5.971) 11.933 3.468 ( -4.376 -11.124 2.981) 12.319 4.051 ( -1.276 7.614 -8.473) 11.463 4.452 ( -3.939 -2.516 5.442) 7.174 4.753 ( 3.013 -12.956 11.856) 17.819 5.119 ( -2.760 -1.307 -1.902) 3.598 5.252 ( 5.388 -1.487 2.046) 5.952 5.585 ( 0.158 4.816 11.949) 12.884 5.860 ( -1.390 1.183 13.302) 13.426 6.603 ( 4.565 5.054 -0.820) 6.860 7.121 ( -3.466 -1.974 9.661) 10.452 7.425 ( -0.496 -11.307 3.418) 11.823 7.530 ( -0.540 10.833 5.066) 11.971 8.632 ( 3.678 1.982 3.877) 5.700 8.727 ( -4.021 -4.778 5.959) 8.631 9.460 ( -0.560 15.175 -17.319) 23.033 10.493 ( -4.195 9.878 -1.677) 10.862 10.819 ( -3.999 -0.956 -10.677) 11.441 11.423 ( 12.352 -4.503 -3.537) 13.615 12.150 ( -0.574 -1.865 7.798) 8.039 12.331 ( 0.547 -3.301 2.420) 4.129 12.684 ( -2.762 -4.310 -0.544) 5.148 13.044 ( -0.077 -1.102 13.384) 13.429 14.058 ( 1.863 8.319 -6.902) 10.969 14.475 ( -1.718 16.540 -9.161) 18.985 21.726 ( -4.115 7.515 -0.470) 8.580 21.962 ( 10.756 5.973 0.816) 12.331 22.329 ( 0.475 0.605 -2.474) 2.591 22.389 ( -2.898 -1.034 0.194) 3.083 22.721 ( -5.021 -3.866 -12.403) 13.928 23.739 ( 0.386 -1.365 -2.588) 2.952 23.842 ( -0.526 -0.340 0.973) 1.157 24.622 ( 0.765 -11.749 17.969) 21.483 ======================= Grid point 130 (85/131) ======================= q-point: ( 0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.451 31.883 -0.000) 31.886 1.927 ( -29.411 29.290 -0.000) 41.508 3.344 ( 18.255 45.936 -0.000) 49.430 3.600 ( 0.764 -3.469 0.000) 3.552 3.727 ( -0.287 -5.562 0.000) 5.569 3.914 ( -3.940 3.954 -0.000) 5.582 4.733 ( 1.348 6.600 -0.000) 6.736 4.966 ( 0.377 -5.971 0.000) 5.983 5.208 ( 2.811 -3.058 0.000) 4.154 5.604 ( -3.282 7.367 -0.000) 8.065 5.659 ( 7.895 0.328 -0.000) 7.902 6.060 ( -0.391 -2.172 0.000) 2.207 6.413 ( -9.413 -5.878 0.000) 11.097 7.247 ( -1.585 -22.504 0.000) 22.560 7.364 ( -0.204 -14.796 0.000) 14.797 7.686 ( 3.503 13.173 -0.000) 13.631 8.426 ( 10.771 -7.300 0.000) 13.012 8.809 ( -9.453 -0.760 0.000) 9.484 9.336 ( 2.436 15.112 -0.000) 15.307 10.119 ( 0.734 -5.877 0.000) 5.923 10.882 ( 9.990 5.695 -0.000) 11.499 11.406 ( -17.518 4.847 -0.000) 18.176 11.893 ( -2.016 -18.946 0.000) 19.053 12.762 ( 6.131 5.434 -0.000) 8.193 12.976 ( -3.589 -7.591 0.000) 8.396 13.305 ( -0.980 -5.113 0.000) 5.206 13.582 ( 5.880 2.053 -0.000) 6.229 13.814 ( -3.281 -0.183 0.000) 3.286 21.624 ( 5.403 -2.598 0.000) 5.995 21.880 ( -7.754 -5.923 0.000) 9.757 22.301 ( 7.529 1.472 -0.000) 7.672 22.417 ( -3.873 1.987 -0.000) 4.353 22.531 ( -1.986 5.324 -0.000) 5.683 23.724 ( -0.544 2.435 -0.000) 2.496 23.826 ( 0.984 -1.103 0.000) 1.478 25.191 ( 1.590 -4.113 0.000) 4.409 ======================= Grid point 131 (86/131) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -17.002 27.684 -0.000) 32.488 2.539 ( 7.181 27.525 -0.000) 28.447 3.410 ( -5.501 -9.845 0.000) 11.278 3.561 ( 1.881 -7.967 0.000) 8.186 3.746 ( -9.745 -5.665 0.000) 11.272 4.413 ( 11.723 22.312 -0.000) 25.204 4.850 ( -0.187 -6.319 0.000) 6.322 4.931 ( 2.409 8.919 -0.000) 9.239 5.321 ( 8.272 1.400 -0.000) 8.389 5.706 ( 4.766 -5.273 0.000) 7.108 5.741 ( 1.267 7.719 -0.000) 7.823 5.962 ( -19.012 -1.981 0.000) 19.115 6.170 ( 4.167 -6.392 0.000) 7.630 6.710 ( -9.314 -18.704 0.000) 20.895 7.113 ( 4.544 -8.381 0.000) 9.534 8.058 ( 6.724 13.573 -0.000) 15.147 8.464 ( 7.948 -9.601 0.000) 12.463 8.626 ( -6.523 -0.607 0.000) 6.551 9.603 ( -1.695 9.518 -0.000) 9.667 9.983 ( -0.602 -8.073 0.000) 8.096 10.802 ( -21.478 7.092 -0.000) 22.619 11.529 ( 10.593 7.569 -0.000) 13.019 11.561 ( 1.587 -12.814 0.000) 12.912 12.818 ( 2.057 -7.023 0.000) 7.318 12.951 ( -0.100 4.487 -0.000) 4.488 13.173 ( 2.469 -7.092 0.000) 7.510 13.683 ( -10.721 1.224 0.000) 10.791 13.729 ( 3.196 3.788 -0.000) 4.957 21.665 ( -2.954 -5.863 0.000) 6.565 21.808 ( 13.162 3.057 -0.000) 13.512 22.327 ( -9.561 3.251 -0.000) 10.099 22.453 ( 5.017 1.319 -0.000) 5.188 22.568 ( -0.606 0.244 -0.000) 0.653 23.748 ( -0.894 1.341 -0.000) 1.612 23.837 ( 0.777 0.593 -0.000) 0.977 25.036 ( -7.051 -6.385 0.000) 9.513 ======================= Grid point 132 (87/131) ======================= q-point: (-0.35 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 11.253 -1.517 -28.388) 30.575 1.658 ( 6.030 -20.275 -24.290) 32.210 2.925 ( 21.698 -19.088 -39.299) 48.781 3.304 ( 0.888 0.231 9.322) 9.367 3.433 ( 6.013 -6.493 11.558) 14.557 4.145 ( -3.732 3.723 -11.558) 12.704 4.418 ( 6.724 -1.194 4.295) 8.068 4.600 ( 6.831 -11.318 10.388) 16.812 5.033 ( -4.224 5.067 2.436) 7.032 5.281 ( 3.141 -5.220 0.778) 6.141 5.690 ( -4.764 3.861 12.947) 14.326 5.884 ( 1.648 -0.011 17.317) 17.395 6.698 ( -3.286 -1.484 -0.599) 3.655 7.036 ( 3.653 0.580 6.727) 7.677 7.280 ( 6.965 -6.605 5.535) 11.081 7.645 ( -5.389 5.434 8.665) 11.560 8.595 ( -2.001 0.473 2.239) 3.040 8.720 ( 4.335 -2.636 5.163) 7.238 9.694 ( -15.751 15.821 -16.853) 27.972 10.574 ( -4.490 10.907 3.569) 12.322 10.735 ( -3.019 3.629 -20.477) 21.014 11.486 ( -0.269 -12.736 -2.664) 13.015 11.937 ( 20.645 -16.115 8.988) 27.690 12.441 ( -7.807 5.691 1.656) 9.802 12.613 ( 2.025 1.079 -1.216) 2.597 13.026 ( 2.085 -2.156 15.096) 15.391 14.144 ( -4.741 3.752 -8.679) 10.578 14.667 ( -13.146 14.060 -4.757) 19.827 21.802 ( -6.623 10.578 -0.655) 12.497 22.047 ( -6.482 -4.025 1.139) 7.714 22.331 ( -2.111 1.079 -1.304) 2.705 22.400 ( 2.395 0.192 -1.220) 2.695 22.693 ( 7.471 -1.604 -14.735) 16.598 23.713 ( 0.114 -0.212 -2.819) 2.829 23.829 ( 1.187 -1.013 2.864) 3.261 24.454 ( 8.312 -9.124 17.243) 21.205 ======================= Grid point 134 (88/131) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -4.864 22.221 -0.000) 22.747 2.813 ( -5.863 -13.305 0.000) 14.539 3.316 ( 1.606 7.488 -0.000) 7.658 3.476 ( 3.261 -7.184 0.000) 7.890 3.544 ( -3.098 10.853 -0.000) 11.286 4.426 ( -10.883 -15.564 0.000) 18.991 4.729 ( -0.025 -5.377 0.000) 5.377 5.076 ( -3.325 2.132 -0.000) 3.950 5.388 ( 3.443 -10.468 0.000) 11.020 5.577 ( -12.039 3.079 -0.000) 12.426 5.849 ( 6.016 5.432 -0.000) 8.105 5.879 ( 5.641 -1.189 -0.000) 5.765 6.175 ( 3.526 -0.448 -0.000) 3.554 6.341 ( -7.801 1.468 0.000) 7.938 7.156 ( 11.134 -6.798 0.000) 13.045 8.339 ( 0.648 -9.586 0.000) 9.608 8.408 ( 5.329 8.242 -0.000) 9.815 8.543 ( -2.768 -0.658 0.000) 2.845 9.644 ( -3.983 2.792 -0.000) 4.864 9.819 ( -2.064 -4.594 0.000) 5.036 10.623 ( -11.950 9.738 -0.000) 15.415 11.446 ( 0.573 -3.911 0.000) 3.953 11.881 ( 8.140 8.962 -0.000) 12.107 12.788 ( 5.273 -3.677 0.000) 6.428 12.866 ( -5.266 -2.280 0.000) 5.738 13.141 ( 4.463 -10.555 0.000) 11.460 13.508 ( -13.733 8.249 -0.000) 16.020 13.848 ( 0.258 4.972 -0.000) 4.979 21.525 ( -0.594 -5.132 0.000) 5.166 22.119 ( 0.713 -1.401 0.000) 1.572 22.288 ( 3.299 10.746 -0.000) 11.241 22.540 ( 2.193 0.414 -0.000) 2.232 22.556 ( 4.056 0.057 -0.000) 4.057 23.742 ( -0.924 0.062 0.000) 0.926 23.878 ( 0.102 2.358 -0.000) 2.360 24.679 ( -14.102 -8.593 0.000) 16.514 ======================= Grid point 135 (89/131) ======================= q-point: (-0.85 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -1.433 -6.863 0.000) 7.011 2.655 ( 1.659 15.234 -0.000) 15.324 3.249 ( -3.981 -0.222 0.000) 3.988 3.294 ( -6.798 -8.325 0.000) 10.748 3.994 ( -2.097 -5.747 0.000) 6.118 4.078 ( 8.576 22.664 -0.000) 24.232 4.632 ( -4.342 -1.959 0.000) 4.764 4.843 ( -12.105 -7.412 0.000) 14.194 5.150 ( 6.443 -16.612 0.000) 17.817 5.562 ( 1.867 -0.848 0.000) 2.050 5.969 ( 6.716 -2.379 0.000) 7.125 5.976 ( 4.046 0.428 -0.000) 4.069 6.277 ( -0.769 4.470 -0.000) 4.535 6.292 ( -6.862 2.874 -0.000) 7.439 7.260 ( 12.486 -5.209 0.000) 13.530 8.172 ( 0.872 -8.837 0.000) 8.880 8.453 ( -6.827 0.834 0.000) 6.877 8.578 ( 2.763 3.163 -0.000) 4.199 9.666 ( -0.738 6.236 -0.000) 6.280 9.737 ( -4.814 2.120 -0.000) 5.261 10.719 ( 2.380 8.544 -0.000) 8.869 11.292 ( -9.813 -5.023 0.000) 11.024 12.192 ( 5.095 9.544 -0.000) 10.819 12.762 ( -2.802 -4.226 0.000) 5.070 12.842 ( 4.725 -1.675 0.000) 5.013 12.904 ( -0.546 -9.333 0.000) 9.349 13.462 ( -8.816 6.688 -0.000) 11.066 13.941 ( -2.424 6.899 -0.000) 7.313 21.438 ( 0.610 -3.860 0.000) 3.908 21.996 ( -6.693 0.448 0.000) 6.708 22.345 ( 1.069 -5.642 0.000) 5.743 22.562 ( 0.532 -0.534 0.000) 0.754 23.045 ( 18.119 17.945 -0.000) 25.501 23.732 ( 0.650 0.033 -0.000) 0.650 23.912 ( -1.116 1.274 -0.000) 1.693 24.183 ( -18.363 -8.497 0.000) 20.233 ======================= Grid point 139 (90/131) ======================= q-point: ( 0.15 0.85 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 7.259 11.615 -0.000) 13.697 2.922 ( 3.917 6.766 -0.000) 7.818 3.178 ( 1.909 5.671 -0.000) 5.984 3.280 ( 6.483 2.932 -0.000) 7.115 3.931 ( -9.651 -2.138 0.000) 9.885 4.417 ( -17.540 4.763 -0.000) 18.175 4.499 ( -1.404 -4.823 0.000) 5.024 4.610 ( 8.543 10.413 -0.000) 13.469 5.118 ( 14.481 -9.984 0.000) 17.589 5.515 ( 5.132 -10.084 0.000) 11.315 6.041 ( 6.831 -2.201 0.000) 7.177 6.096 ( 5.632 1.302 -0.000) 5.781 6.141 ( -8.461 -1.642 0.000) 8.619 6.276 ( -6.054 3.478 -0.000) 6.982 7.451 ( 12.070 -0.126 -0.000) 12.070 7.989 ( -1.043 -11.432 0.000) 11.479 8.314 ( -9.710 1.656 0.000) 9.851 8.713 ( 5.846 2.470 -0.000) 6.347 9.690 ( -7.857 5.854 -0.000) 9.798 9.875 ( 2.497 11.714 -0.000) 11.978 10.886 ( -16.975 -6.602 0.000) 18.214 10.986 ( 10.788 4.287 -0.000) 11.608 12.426 ( 1.110 7.619 -0.000) 7.699 12.462 ( -5.913 -11.296 0.000) 12.750 12.912 ( 5.152 -0.053 -0.000) 5.152 12.944 ( 7.207 -0.909 -0.000) 7.264 13.387 ( -7.955 3.263 -0.000) 8.598 14.010 ( -5.623 7.554 -0.000) 9.417 21.399 ( 1.593 -2.331 0.000) 2.823 21.925 ( -2.508 1.752 -0.000) 3.059 22.245 ( 1.670 -6.762 0.000) 6.965 22.550 ( -0.058 -1.096 0.000) 1.097 23.595 ( 3.975 6.580 -0.000) 7.687 23.620 ( -16.256 -10.145 0.000) 19.162 23.923 ( -4.491 1.970 -0.000) 4.904 23.933 ( 13.854 14.073 -0.000) 19.747 ======================= Grid point 141 (91/131) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -5.008 13.215 -0.000) 14.132 3.155 ( 7.408 3.467 -0.000) 8.179 3.320 ( -17.106 -4.471 0.000) 17.681 3.535 ( 0.193 5.441 -0.000) 5.444 3.581 ( 16.037 -4.782 0.000) 16.735 4.269 ( -12.486 16.612 -0.000) 20.781 4.627 ( -5.468 -12.246 0.000) 13.412 4.676 ( 11.273 5.255 -0.000) 12.437 5.286 ( 9.727 1.979 -0.000) 9.926 5.384 ( 0.097 -9.880 0.000) 9.880 5.958 ( -9.588 2.817 -0.000) 9.994 6.087 ( -0.432 -8.714 0.000) 8.724 6.278 ( 16.797 3.916 -0.000) 17.247 6.370 ( 3.828 11.437 -0.000) 12.061 7.621 ( -8.036 -18.502 0.000) 20.172 7.714 ( 10.664 4.386 -0.000) 11.531 8.144 ( -10.361 0.906 0.000) 10.401 8.865 ( 8.535 -2.610 0.000) 8.925 9.658 ( -10.236 8.199 -0.000) 13.115 10.043 ( -0.348 -0.864 0.000) 0.931 10.611 ( -10.941 11.824 -0.000) 16.109 11.276 ( 14.612 -0.018 -0.000) 14.612 12.156 ( -4.116 -10.457 0.000) 11.238 12.555 ( -1.577 7.521 -0.000) 7.684 12.997 ( 7.402 -9.382 0.000) 11.950 13.051 ( 7.101 1.184 -0.000) 7.199 13.358 ( -4.929 8.160 -0.000) 9.533 13.996 ( -7.981 4.599 -0.000) 9.211 21.412 ( 2.500 -0.356 -0.000) 2.525 21.949 ( 2.892 -0.947 0.000) 3.043 22.163 ( 0.244 -2.809 0.000) 2.820 22.516 ( -1.015 -1.372 0.000) 1.707 23.148 ( -13.607 -7.677 0.000) 15.623 23.690 ( 1.409 2.255 -0.000) 2.659 23.862 ( -3.468 -0.157 0.000) 3.472 24.533 ( 12.062 16.047 -0.000) 20.075 ======================= Grid point 142 (92/131) ======================= q-point: ( 0.65 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -6.497 -2.692 6.591) 9.638 2.913 ( 3.357 -5.298 9.790) 11.627 3.192 ( 2.377 -0.406 -0.559) 2.475 3.205 ( -3.912 -12.284 -5.756) 14.118 3.831 ( 0.906 6.507 5.099) 8.317 4.098 ( 4.085 -14.774 -4.671) 16.024 4.748 ( -0.725 -4.839 -6.125) 7.839 4.811 ( -0.070 -5.873 1.339) 6.024 5.384 ( 6.213 14.545 -2.751) 16.054 5.532 ( -8.866 2.571 2.015) 9.448 5.886 ( 7.528 7.578 -0.026) 10.681 6.104 ( -1.574 1.175 3.890) 4.358 6.198 ( -2.581 -7.451 -1.635) 8.053 6.325 ( -3.788 2.143 0.102) 4.353 7.390 ( 2.221 9.745 3.002) 10.436 8.136 ( 1.717 -4.406 -3.463) 5.861 8.316 ( -2.496 3.069 -3.803) 5.487 8.825 ( 1.181 -7.570 3.057) 8.249 9.364 ( 2.032 0.437 -0.017) 2.079 9.885 ( -0.957 -11.246 2.511) 11.563 10.567 ( 2.707 6.536 0.465) 7.090 11.329 ( -5.838 -1.723 -2.603) 6.621 12.129 ( 1.160 3.867 4.314) 5.908 12.581 ( 1.859 -3.403 -4.197) 5.714 13.029 ( -6.365 0.030 1.566) 6.555 13.136 ( 5.004 -5.701 -0.505) 7.603 13.303 ( -0.908 3.971 -1.366) 4.296 13.843 ( 0.950 -5.536 1.183) 5.740 21.490 ( 0.402 2.660 -1.386) 3.026 21.948 ( -0.775 -7.738 -1.778) 7.978 22.334 ( -3.532 9.373 -2.373) 10.293 22.496 ( 2.042 1.053 1.235) 2.608 23.087 ( 2.726 8.152 7.962) 11.716 23.700 ( -0.688 0.247 -1.198) 1.403 23.868 ( 0.446 -1.496 -0.292) 1.588 24.266 ( -0.542 -17.644 -2.831) 17.877 ======================= Grid point 144 (93/131) ======================= q-point: ( 0.65 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -4.719 8.866 2.635) 10.383 2.891 ( 5.901 -7.494 -4.011) 10.347 3.001 ( 6.947 -5.072 0.407) 8.611 3.141 ( 2.119 -4.146 -1.695) 4.955 3.951 ( 3.684 -1.639 9.347) 10.180 3.985 ( -0.460 -4.148 -1.405) 4.403 4.691 ( 3.010 -4.406 -1.645) 5.584 4.734 ( 2.923 -0.932 -4.555) 5.492 5.436 ( -9.994 10.236 -1.877) 14.428 5.682 ( -1.731 1.997 -3.424) 4.325 5.944 ( -10.637 6.191 4.190) 13.001 6.052 ( 1.263 -0.837 -1.604) 2.207 6.180 ( 6.473 -2.782 0.177) 7.048 6.365 ( 2.676 -1.113 0.332) 2.917 7.510 ( -7.339 5.713 -4.183) 10.197 8.011 ( 0.552 -0.507 5.931) 5.978 8.454 ( 4.933 -3.041 -9.464) 11.097 8.673 ( 1.637 -3.510 4.929) 6.268 9.383 ( -2.073 0.359 2.432) 3.215 9.738 ( 8.498 -7.239 0.067) 11.164 10.673 ( -9.855 7.307 5.500) 13.445 11.308 ( 7.298 -2.618 -6.583) 10.171 12.203 ( -1.543 -0.039 2.384) 2.840 12.501 ( 1.943 -2.822 2.138) 4.039 12.975 ( -0.444 4.150 -2.015) 4.635 13.123 ( 3.646 -5.850 -1.288) 7.012 13.376 ( -4.024 4.180 -2.672) 6.388 13.773 ( 4.652 -5.263 3.931) 8.050 21.533 ( -2.576 2.232 -2.849) 4.443 21.851 ( 4.826 -4.317 1.732) 6.703 22.432 ( -1.801 5.176 -1.914) 5.805 22.507 ( -1.768 -0.480 1.211) 2.196 23.211 ( -8.023 5.794 6.380) 11.775 23.718 ( -0.625 1.415 -0.231) 1.564 23.823 ( 1.403 -1.803 1.979) 3.022 24.056 ( 11.762 -11.260 -6.609) 17.573 ======================= Grid point 145 (94/131) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -30.011 -9.124 0.000) 31.367 2.800 ( -19.489 -5.031 0.000) 20.128 3.422 ( 6.899 4.898 -0.000) 8.461 3.576 ( 5.058 -6.981 0.000) 8.621 3.852 ( 9.352 5.450 -0.000) 10.824 3.994 ( -32.878 2.110 0.000) 32.946 4.671 ( 9.341 4.847 -0.000) 10.524 4.969 ( 6.883 1.903 -0.000) 7.142 5.128 ( -4.761 -6.058 0.000) 7.705 5.470 ( 2.061 6.887 -0.000) 7.188 5.856 ( -6.924 -6.532 0.000) 9.519 5.954 ( -0.591 6.722 -0.000) 6.747 6.705 ( 12.745 -6.514 0.000) 14.313 6.783 ( 17.926 6.916 -0.000) 19.214 7.058 ( -3.487 -9.948 0.000) 10.542 7.932 ( -12.287 -0.204 0.000) 12.289 8.048 ( 9.941 9.260 -0.000) 13.585 8.912 ( 6.043 -7.508 0.000) 9.637 9.561 ( -13.993 5.200 -0.000) 14.928 10.010 ( 4.012 -1.684 0.000) 4.351 10.748 ( -9.269 17.267 -0.000) 19.597 11.569 ( 17.936 -2.072 -0.000) 18.055 11.843 ( -4.020 -15.017 0.000) 15.545 12.681 ( -2.855 9.282 -0.000) 9.711 12.947 ( 8.332 -9.380 0.000) 12.546 13.201 ( 6.757 -0.134 -0.000) 6.758 13.470 ( -2.376 9.090 -0.000) 9.396 13.901 ( -5.626 0.212 0.000) 5.630 21.486 ( 2.998 2.595 -0.000) 3.965 21.940 ( 6.553 -9.545 0.000) 11.578 22.186 ( -2.050 6.811 -0.000) 7.113 22.467 ( -1.764 -0.421 0.000) 1.814 22.789 ( -9.230 -6.841 0.000) 11.489 23.766 ( 1.589 2.247 -0.000) 2.752 23.790 ( -2.797 -0.866 0.000) 2.928 24.973 ( 7.158 9.668 -0.000) 12.029 ======================= Grid point 153 (95/131) ======================= q-point: (-0.58 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -3.365 -15.245 -13.881) 20.891 3.030 ( -4.439 -13.178 -3.037) 14.234 3.248 ( -4.398 8.701 1.329) 9.840 3.438 ( 6.529 -2.338 -2.608) 7.410 3.741 ( -4.292 12.452 6.618) 14.740 4.281 ( -1.979 -8.425 8.749) 12.306 4.778 ( 2.592 -3.812 -4.756) 6.623 4.920 ( 4.142 -13.229 8.794) 16.417 5.176 ( -0.911 -2.199 -0.594) 2.453 5.460 ( -2.411 -6.961 -0.453) 7.381 5.604 ( 6.896 -11.687 0.630) 13.584 5.879 ( -4.358 -9.421 -4.105) 11.163 6.277 ( 7.691 10.868 1.143) 13.363 6.737 ( -0.873 8.715 3.698) 9.507 7.133 ( -9.785 11.174 -4.856) 15.626 7.876 ( 4.094 -13.394 3.511) 14.439 8.375 ( 2.702 7.340 1.406) 7.947 8.705 ( -2.136 -2.946 8.859) 9.577 9.589 ( -3.208 -1.518 -12.752) 13.236 10.040 ( -4.103 6.172 5.819) 9.422 11.122 ( -2.062 -1.503 -10.536) 10.840 11.467 ( 12.723 11.755 0.791) 17.340 11.705 ( -4.964 0.385 2.889) 5.756 12.672 ( 2.125 -3.405 1.183) 4.184 12.789 ( -2.200 -4.495 3.943) 6.371 12.933 ( -0.385 -4.966 1.786) 5.292 13.801 ( 6.490 5.625 0.141) 8.589 14.133 ( -6.032 11.157 -4.559) 13.478 21.600 ( -5.358 -0.655 -0.555) 5.426 21.700 ( 11.230 4.942 0.749) 12.292 22.361 ( 3.754 1.088 -2.138) 4.455 22.430 ( -2.371 -1.653 0.710) 2.976 22.900 ( -9.522 4.132 -1.804) 10.535 23.795 ( 3.243 -0.280 -0.267) 3.266 23.834 ( -2.917 1.165 -0.466) 3.175 24.762 ( 2.528 -9.754 3.947) 10.822 ======================= Grid point 156 (96/131) ======================= q-point: (-0.58 -0.18 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -0.429 -13.155 -14.491) 19.576 2.730 ( 0.834 -12.193 -6.776) 13.974 3.264 ( -4.867 0.503 5.437) 7.315 3.380 ( 1.742 -8.900 8.939) 12.734 3.925 ( -1.251 7.962 -1.218) 8.152 4.108 ( -1.725 -2.906 1.730) 3.797 4.628 ( 5.015 -13.689 -17.223) 22.565 4.775 ( 1.120 -5.435 8.397) 10.065 5.123 ( -1.696 2.627 2.472) 3.986 5.249 ( -0.321 -9.707 -2.990) 10.162 5.573 ( 1.754 -8.281 4.154) 9.429 5.715 ( 8.733 -7.438 9.529) 14.913 6.659 ( 8.880 6.381 1.162) 10.996 6.772 ( -6.813 4.933 5.962) 10.310 7.101 ( -13.300 8.653 1.752) 15.964 7.744 ( 7.340 -11.223 -2.800) 13.699 8.535 ( 2.921 3.806 3.281) 5.812 8.614 ( -1.449 -2.867 6.106) 6.899 9.566 ( -2.235 5.338 -13.703) 14.875 10.080 ( -5.061 7.238 8.694) 12.393 11.017 ( -9.102 4.079 -16.677) 19.432 11.691 ( -3.311 4.368 6.161) 8.246 11.941 ( 15.102 5.968 0.501) 16.246 12.553 ( 2.245 -14.544 1.725) 14.817 12.688 ( -2.554 -1.463 -0.548) 2.994 12.852 ( 1.370 -1.897 7.287) 7.654 14.024 ( 0.405 8.586 -3.827) 9.409 14.192 ( -10.557 12.232 -2.626) 16.370 21.517 ( -4.482 2.676 0.790) 5.280 22.060 ( 8.361 3.674 0.543) 9.149 22.330 ( -3.103 -2.607 1.061) 4.189 22.420 ( 1.651 1.569 -5.083) 5.570 22.862 ( 1.014 5.780 -3.906) 7.049 23.773 ( -3.053 -0.281 -0.891) 3.193 23.850 ( 2.282 -1.375 0.026) 2.664 24.541 ( -3.722 -10.354 7.519) 13.326 ======================= Grid point 157 (97/131) ======================= q-point: (-0.58 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 8.618 -0.135 -19.065) 20.923 2.584 ( 8.657 -13.137 -15.314) 21.956 3.133 ( 0.272 -1.621 6.804) 6.999 3.261 ( -1.682 -2.972 10.973) 11.492 4.095 ( 8.205 4.876 4.364) 10.495 4.141 ( 6.600 -0.490 -1.897) 6.885 4.536 ( 4.227 -6.439 -7.332) 10.634 4.709 ( -2.053 -4.535 -6.323) 8.047 5.056 ( 0.920 -5.925 -3.301) 6.845 5.149 ( -0.809 1.043 6.290) 6.427 5.484 ( 3.722 -4.777 8.864) 10.735 5.787 ( 10.438 -7.879 9.944) 16.429 6.523 ( -11.344 -1.627 4.325) 12.249 6.983 ( -3.952 2.445 3.469) 5.799 7.073 ( 2.944 11.485 3.214) 12.284 7.699 ( 6.649 -8.405 -2.475) 10.999 8.534 ( -1.622 -1.666 1.578) 2.810 8.649 ( 2.827 1.410 6.582) 7.301 9.650 ( -3.745 6.170 -14.187) 15.917 10.169 ( -2.061 10.543 7.098) 12.876 10.968 ( -7.276 6.696 -17.997) 20.534 11.579 ( -10.692 -2.034 5.544) 12.215 12.225 ( -0.007 -4.744 -0.389) 4.760 12.325 ( 10.683 -8.172 5.004) 14.351 12.663 ( 2.776 1.160 -1.881) 3.548 12.878 ( 3.011 -1.978 8.636) 9.357 14.012 ( -14.754 6.947 -5.114) 17.090 14.310 ( -3.974 11.584 -1.744) 12.370 21.518 ( -4.287 5.873 1.407) 7.406 21.996 ( -5.643 -6.023 1.107) 8.327 22.268 ( -2.492 1.764 -0.012) 3.053 22.475 ( 1.670 -1.299 -1.001) 2.341 23.218 ( 12.409 6.143 -16.792) 21.764 23.717 ( -2.207 0.677 -0.672) 2.405 23.837 ( 2.692 -1.773 3.317) 4.625 24.298 ( -2.754 -5.076 12.903) 14.136 ======================= Grid point 160 (98/131) ======================= q-point: (-0.58 -0.18 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 12.837 -5.812 -21.197) 25.453 2.695 ( 17.901 2.146 -14.782) 23.315 3.218 ( 0.416 1.291 6.234) 6.380 3.295 ( 8.447 4.722 9.675) 13.684 4.102 ( -9.438 -5.822 -4.245) 11.874 4.361 ( 3.194 -7.307 5.686) 9.794 4.514 ( 11.032 4.176 2.825) 12.129 4.644 ( 4.241 2.420 0.765) 4.942 5.090 ( 5.368 1.442 -2.970) 6.302 5.265 ( 10.369 1.427 -0.780) 10.496 5.451 ( 2.792 -5.092 4.970) 7.644 5.798 ( 7.687 -6.721 6.643) 12.182 6.345 ( -8.337 3.428 2.911) 9.473 6.895 ( -10.303 4.135 3.661) 11.690 7.342 ( 1.994 4.358 -3.453) 5.907 7.659 ( 7.297 -6.739 4.038) 10.722 8.466 ( -4.535 0.376 1.576) 4.815 8.698 ( 2.832 -2.013 7.569) 8.329 9.635 ( -2.124 -0.304 -13.874) 14.039 10.260 ( -7.340 1.076 6.326) 9.749 11.015 ( -2.842 10.704 -14.433) 18.192 11.382 ( -6.910 4.595 1.092) 8.370 11.963 ( -3.993 -11.084 3.103) 12.184 12.490 ( 9.048 -0.031 0.240) 9.051 12.805 ( 6.014 2.161 2.052) 6.712 12.859 ( 1.159 -4.495 7.276) 8.631 13.852 ( -12.900 6.455 -2.606) 14.658 14.355 ( -8.459 3.964 -4.070) 10.190 21.574 ( -4.819 8.839 0.729) 10.094 21.772 ( -2.817 -7.190 1.364) 7.842 22.293 ( -1.593 4.669 -0.887) 5.013 22.456 ( 1.132 -2.736 0.262) 2.973 23.194 ( -2.824 -11.442 -11.780) 16.664 23.734 ( -0.516 2.814 -0.247) 2.871 23.908 ( 0.590 -1.905 -2.473) 3.177 24.413 ( 11.284 8.330 13.626) 19.554 ======================= Grid point 173 (99/131) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -24.584 25.139 -0.000) 35.162 2.478 ( -1.152 30.175 -0.000) 30.197 3.469 ( -0.287 -9.461 0.000) 9.465 3.538 ( 0.493 -8.818 0.000) 8.832 3.877 ( -2.993 -7.931 0.000) 8.477 4.142 ( 13.088 28.287 -0.000) 31.168 4.826 ( 8.457 4.023 -0.000) 9.365 4.897 ( -4.853 -1.780 0.000) 5.169 5.173 ( 6.717 -0.328 -0.000) 6.725 5.600 ( 6.023 -5.152 0.000) 7.926 5.758 ( -3.104 7.413 -0.000) 8.036 6.070 ( 5.102 0.417 -0.000) 5.119 6.358 ( -20.932 0.636 0.000) 20.942 6.829 ( -2.258 -18.888 0.000) 19.023 7.060 ( 2.578 -13.426 0.000) 13.672 7.954 ( 3.221 13.376 -0.000) 13.759 8.261 ( 11.689 -9.596 0.000) 15.123 8.764 ( -7.401 -3.705 0.000) 8.277 9.616 ( 0.690 12.646 -0.000) 12.665 9.991 ( -0.487 -6.677 0.000) 6.695 11.024 ( 6.447 8.416 -0.000) 10.601 11.508 ( -14.406 5.521 -0.000) 15.428 11.545 ( -0.185 -15.433 0.000) 15.434 12.823 ( -3.099 -7.644 0.000) 8.248 12.856 ( 8.086 3.616 -0.000) 8.858 13.181 ( -1.653 -7.414 0.000) 7.597 13.629 ( 6.890 2.764 -0.000) 7.424 13.848 ( -5.782 4.045 -0.000) 7.057 21.594 ( 8.454 -0.347 -0.000) 8.461 21.765 ( -7.371 -5.702 0.000) 9.319 22.331 ( 7.232 1.590 -0.000) 7.404 22.446 ( -2.485 0.804 -0.000) 2.612 22.645 ( -7.056 6.338 -0.000) 9.485 23.769 ( -1.165 2.181 -0.000) 2.473 23.809 ( 1.998 -0.662 0.000) 2.105 25.089 ( 1.804 -6.458 0.000) 6.705 ======================= Grid point 174 (100/131) ======================= q-point: (-0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -4.747 -4.759 -29.902) 30.648 1.550 ( 6.269 -18.116 -26.167) 32.438 2.707 ( -1.056 -24.063 -45.949) 51.879 3.329 ( -3.049 -3.866 10.959) 12.014 3.340 ( 2.903 -4.926 10.502) 11.958 4.187 ( 0.515 5.650 -11.972) 13.249 4.378 ( -3.598 -4.155 2.635) 6.095 4.488 ( 2.861 -13.079 7.943) 15.567 5.132 ( -1.587 1.773 1.681) 2.913 5.188 ( 1.858 -3.258 2.866) 4.721 5.742 ( 0.616 8.422 13.676) 16.074 5.873 ( -0.803 0.180 18.974) 18.991 6.696 ( 1.426 5.460 -2.418) 6.139 7.042 ( -1.410 -4.296 6.905) 8.254 7.188 ( 0.033 -13.087 5.485) 14.190 7.701 ( 0.004 6.232 11.248) 12.859 8.638 ( 3.032 -0.640 2.866) 4.221 8.654 ( -3.078 -2.579 3.211) 5.141 9.879 ( 0.195 25.411 -13.976) 29.002 10.664 ( -2.138 7.910 -1.877) 8.406 10.818 ( -2.623 0.677 -15.000) 15.242 11.347 ( 7.991 -2.950 -3.310) 9.139 11.742 ( -3.068 -28.463 5.400) 29.133 12.500 ( 0.884 9.478 0.620) 9.539 12.622 ( -1.168 -2.023 -1.105) 2.584 13.000 ( 0.057 -2.896 16.954) 17.200 14.185 ( 0.241 4.356 -9.056) 10.052 14.819 ( -0.219 16.777 -0.886) 16.802 21.919 ( -4.036 11.749 -0.845) 12.452 22.052 ( 6.956 2.966 0.883) 7.613 22.352 ( 1.114 1.741 -2.023) 2.892 22.377 ( -1.877 -0.262 -0.907) 2.101 22.637 ( -2.484 -4.598 -14.105) 15.042 23.714 ( -0.028 -1.037 -3.304) 3.463 23.815 ( 0.004 -2.855 4.053) 4.957 24.352 ( 0.310 -14.096 14.674) 20.350 ======================= Grid point 176 (101/131) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -16.540 23.070 -0.000) 28.387 2.899 ( -3.080 -0.101 0.000) 3.082 3.299 ( -1.031 8.358 -0.000) 8.421 3.400 ( 3.531 -8.084 0.000) 8.821 3.615 ( -2.533 -7.440 0.000) 7.859 4.491 ( 3.659 -9.880 0.000) 10.536 4.758 ( -3.672 -3.428 0.000) 5.023 5.084 ( 3.115 2.045 -0.000) 3.726 5.305 ( 5.790 -3.169 0.000) 6.601 5.666 ( 7.671 -2.812 0.000) 8.170 5.800 ( 1.894 -3.950 0.000) 4.380 5.942 ( -18.815 2.931 0.000) 19.042 6.135 ( 1.144 2.969 -0.000) 3.181 6.499 ( -7.532 -0.850 0.000) 7.580 6.985 ( 5.397 -3.783 0.000) 6.590 8.253 ( 7.953 -11.804 0.000) 14.234 8.289 ( 6.287 9.691 -0.000) 11.552 8.600 ( -3.280 -1.937 0.000) 3.809 9.725 ( -4.189 3.058 -0.000) 5.187 9.843 ( -1.325 -5.397 0.000) 5.557 10.954 ( -19.521 8.329 -0.000) 21.224 11.407 ( 3.097 -2.670 0.000) 4.089 11.700 ( 10.129 9.310 -0.000) 13.757 12.703 ( 2.802 -4.325 0.000) 5.153 12.962 ( -4.282 -4.425 0.000) 6.158 13.022 ( 6.989 -7.350 0.000) 10.142 13.781 ( -12.852 8.656 -0.000) 15.495 13.805 ( 4.079 4.211 -0.000) 5.863 21.564 ( -3.533 -4.337 0.000) 5.594 21.880 ( 15.378 4.241 -0.000) 15.952 22.383 ( -5.205 1.588 -0.000) 5.442 22.474 ( 4.633 0.840 -0.000) 4.708 22.587 ( -6.904 2.817 -0.000) 7.457 23.769 ( -1.790 0.821 -0.000) 1.969 23.854 ( 2.179 0.974 -0.000) 2.386 24.889 ( -6.951 -8.742 0.000) 11.169 ======================= Grid point 177 (102/131) ======================= q-point: (-0.80 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -6.571 -11.597 0.000) 13.329 2.694 ( -6.073 16.029 -0.000) 17.141 3.315 ( -2.466 -4.412 0.000) 5.055 3.330 ( 2.251 -7.485 0.000) 7.816 3.893 ( 9.484 18.650 -0.000) 20.923 4.100 ( -7.379 -15.197 0.000) 16.894 4.654 ( 0.018 -2.173 0.000) 2.173 5.032 ( -5.828 -4.327 0.000) 7.259 5.147 ( -3.529 -12.389 0.000) 12.882 5.563 ( -1.046 -6.752 0.000) 6.833 5.814 ( 8.734 -3.647 0.000) 9.465 5.844 ( 6.664 -6.421 0.000) 9.254 6.353 ( -5.613 17.250 -0.000) 18.140 6.440 ( -8.196 5.286 -0.000) 9.753 7.036 ( 9.456 -4.969 0.000) 10.682 8.133 ( 3.652 -10.774 0.000) 11.376 8.515 ( 3.922 3.181 -0.000) 5.049 8.537 ( -2.050 -0.526 0.000) 2.116 9.694 ( -2.269 3.317 -0.000) 4.018 9.775 ( -0.317 -0.089 0.000) 0.329 10.822 ( -11.860 10.567 -0.000) 15.885 11.425 ( -3.623 0.956 -0.000) 3.747 12.068 ( 8.114 9.405 -0.000) 12.422 12.742 ( 5.218 -1.076 -0.000) 5.328 12.784 ( -0.859 -6.476 0.000) 6.533 12.910 ( 0.668 -11.784 0.000) 11.803 13.706 ( -14.900 10.955 -0.000) 18.493 13.955 ( 0.968 6.391 -0.000) 6.464 21.448 ( -1.652 -2.593 0.000) 3.074 22.098 ( -1.584 -0.811 0.000) 1.779 22.340 ( -0.610 -3.574 0.000) 3.626 22.540 ( 1.904 -0.483 0.000) 1.964 22.732 ( 11.357 16.459 -0.000) 19.997 23.740 ( -1.355 -0.260 0.000) 1.380 23.912 ( 1.201 0.687 -0.000) 1.383 24.500 ( -13.651 -9.600 0.000) 16.689 ======================= Grid point 181 (103/131) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 5.309 7.029 -0.000) 8.809 2.873 ( 0.995 6.186 -0.000) 6.265 3.168 ( -0.668 -4.332 0.000) 4.384 3.224 ( 0.802 -2.515 0.000) 2.640 3.953 ( 3.460 2.022 -0.000) 4.008 4.361 ( 12.601 2.888 -0.000) 12.927 4.693 ( -14.841 -7.779 0.000) 16.756 4.732 ( -4.666 14.233 -0.000) 14.978 4.872 ( 3.360 -10.822 0.000) 11.331 5.419 ( 4.310 -11.146 0.000) 11.950 5.903 ( 13.170 -8.816 0.000) 15.849 5.914 ( 7.195 -3.454 0.000) 7.981 6.303 ( -8.822 -1.400 0.000) 8.933 6.465 ( -12.316 13.471 -0.000) 18.253 7.208 ( 12.755 0.063 -0.000) 12.755 7.991 ( 1.220 -9.518 0.000) 9.596 8.464 ( -5.284 -0.039 0.000) 5.284 8.622 ( 3.843 1.472 -0.000) 4.115 9.782 ( -1.751 2.113 -0.000) 2.744 9.827 ( 2.033 10.227 -0.000) 10.427 10.897 ( -1.936 9.926 -0.000) 10.113 11.209 ( -15.330 -3.645 0.000) 15.758 12.368 ( 5.094 7.688 -0.000) 9.222 12.541 ( -2.240 -15.182 0.000) 15.346 12.820 ( 4.382 -0.593 -0.000) 4.422 12.822 ( 4.890 -2.059 0.000) 5.306 13.604 ( -13.983 7.572 -0.000) 15.902 14.091 ( -2.560 8.537 -0.000) 8.912 21.393 ( -0.929 -0.531 0.000) 1.070 21.988 ( -4.030 -1.839 0.000) 4.430 22.236 ( -0.666 -4.217 0.000) 4.269 22.543 ( 0.740 -1.436 0.000) 1.616 23.424 ( 14.745 19.498 -0.000) 24.446 23.746 ( 3.943 2.008 -0.000) 4.425 23.846 ( -5.433 -8.645 0.000) 10.210 24.074 ( -11.928 -2.414 0.000) 12.170 ======================= Grid point 183 (104/131) ======================= q-point: ( 0.20 0.80 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 6.485 16.984 -0.000) 18.180 3.002 ( 7.131 1.241 -0.000) 7.238 3.273 ( 8.862 3.465 -0.000) 9.515 3.282 ( 11.329 -2.497 -0.000) 11.601 3.882 ( -20.985 -3.370 0.000) 21.253 4.398 ( -0.872 -4.870 0.000) 4.947 4.472 ( 7.845 2.583 -0.000) 8.259 4.779 ( -4.766 1.583 -0.000) 5.022 5.084 ( 8.165 9.347 -0.000) 12.411 5.329 ( 5.054 -7.836 0.000) 9.325 5.955 ( 11.822 -11.363 0.000) 16.398 5.982 ( 9.874 -3.277 0.000) 10.404 6.137 ( -6.027 1.261 0.000) 6.158 6.468 ( -10.915 11.464 -0.000) 15.829 7.498 ( 11.604 4.733 -0.000) 12.532 7.753 ( -5.023 -12.711 0.000) 13.668 8.328 ( -8.272 -0.032 0.000) 8.272 8.724 ( 5.766 -1.311 0.000) 5.913 9.793 ( -3.245 4.083 -0.000) 5.215 10.048 ( 0.147 3.965 -0.000) 3.968 10.859 ( -14.507 5.541 -0.000) 15.529 11.085 ( 4.223 6.106 -0.000) 7.424 12.212 ( -1.684 -14.086 0.000) 14.186 12.558 ( 1.708 5.739 -0.000) 5.988 12.871 ( 5.534 -5.957 0.000) 8.130 12.920 ( 6.142 0.688 -0.000) 6.180 13.501 ( -9.982 7.625 -0.000) 12.561 14.147 ( -7.186 6.067 -0.000) 9.404 21.392 ( -0.468 1.931 -0.000) 1.987 21.898 ( 1.676 -5.439 0.000) 5.691 22.181 ( -1.704 1.415 -0.000) 2.215 22.520 ( 0.385 -1.962 0.000) 2.000 23.411 ( -12.811 -11.415 0.000) 17.159 23.674 ( 0.268 2.856 -0.000) 2.868 23.936 ( -4.220 -0.649 0.000) 4.269 24.261 ( 15.993 17.398 -0.000) 23.632 ======================= Grid point 186 (105/131) ======================= q-point: ( 0.70 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -1.974 6.178 1.960) 6.775 2.808 ( 1.034 -3.964 5.345) 6.735 2.956 ( -1.123 -11.522 -4.194) 12.313 3.060 ( 1.516 -12.728 0.187) 12.819 3.943 ( -1.455 1.653 2.571) 3.385 3.960 ( 1.999 1.870 -2.296) 3.573 4.656 ( 0.682 -3.404 -2.435) 4.241 4.713 ( -0.806 -4.415 0.653) 4.535 5.579 ( -1.887 6.956 -0.856) 7.258 5.659 ( 2.246 7.335 1.983) 7.923 6.024 ( -1.065 2.524 -1.194) 2.989 6.068 ( 4.328 -1.398 -0.404) 4.566 6.131 ( -3.665 1.550 1.232) 4.166 6.331 ( -0.425 -2.121 -0.177) 2.171 7.584 ( 0.534 10.395 1.555) 10.524 8.002 ( -0.128 -9.145 -1.895) 9.340 8.395 ( -0.467 4.875 -1.475) 5.114 8.659 ( 0.480 -8.680 1.554) 8.832 9.397 ( 0.640 2.946 -0.427) 3.045 9.656 ( -0.533 -10.809 0.921) 10.862 10.779 ( 1.118 13.399 0.715) 13.464 11.242 ( -1.746 -7.483 -1.253) 7.785 12.206 ( 0.631 4.767 2.272) 5.318 12.478 ( 0.107 -7.252 -2.368) 7.630 13.015 ( -2.903 -0.382 -0.237) 2.938 13.060 ( 2.458 -1.716 0.679) 3.074 13.425 ( -0.032 7.055 -0.319) 7.062 13.715 ( 0.186 -7.312 0.305) 7.321 21.562 ( 0.128 4.705 -0.514) 4.735 21.801 ( -0.167 -7.224 -0.362) 7.235 22.465 ( -1.191 4.120 -1.148) 4.439 22.514 ( 0.866 0.587 0.550) 1.182 23.293 ( 0.752 12.917 4.347) 13.650 23.720 ( -0.329 1.621 -1.517) 2.245 23.825 ( 0.155 -2.676 -0.268) 2.693 23.918 ( -0.201 -17.588 -1.289) 17.637 ======================= Grid point 188 (106/131) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -11.099 -7.314 0.000) 13.292 3.087 ( -9.849 2.478 -0.000) 10.156 3.315 ( -5.699 2.052 -0.000) 6.057 3.428 ( 9.487 -8.539 0.000) 12.764 3.627 ( 12.233 2.527 -0.000) 12.492 4.359 ( 3.601 -6.774 0.000) 7.672 4.647 ( -14.642 16.336 -0.000) 21.937 4.797 ( 10.194 6.164 -0.000) 11.913 5.222 ( -3.239 -6.280 0.000) 7.066 5.383 ( 5.893 6.661 -0.000) 8.893 5.919 ( 2.812 -7.623 0.000) 8.125 6.027 ( -5.489 3.854 -0.000) 6.707 6.343 ( 20.485 1.445 -0.000) 20.536 6.552 ( 3.335 6.397 -0.000) 7.215 7.259 ( -13.310 -17.703 0.000) 22.148 7.847 ( 10.717 9.156 -0.000) 14.096 8.153 ( -10.207 0.568 0.000) 10.223 8.782 ( 6.667 -5.325 0.000) 8.533 9.778 ( -7.354 3.469 -0.000) 8.131 9.967 ( 0.055 -4.858 0.000) 4.858 10.930 ( -9.071 17.980 -0.000) 20.139 11.290 ( 9.521 1.679 -0.000) 9.668 11.902 ( -1.825 -15.669 0.000) 15.775 12.710 ( 0.395 8.245 -0.000) 8.255 12.810 ( 5.239 -8.400 0.000) 9.900 13.061 ( 7.237 -0.344 -0.000) 7.245 13.533 ( -4.434 9.009 -0.000) 10.041 14.043 ( -8.684 -0.146 0.000) 8.685 21.455 ( 0.077 5.098 -0.000) 5.098 21.824 ( 5.039 -8.830 0.000) 10.167 22.227 ( -2.083 6.592 -0.000) 6.913 22.485 ( -0.105 -1.788 0.000) 1.791 22.980 ( -10.107 -9.647 0.000) 13.972 23.741 ( 0.945 2.893 -0.000) 3.044 23.845 ( -2.851 -1.536 0.000) 3.238 24.803 ( 10.426 10.935 -0.000) 15.109 ======================= Grid point 199 (107/131) ======================= q-point: (-0.53 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -4.252 -14.064 -19.893) 24.730 2.731 ( 0.248 -16.913 -9.117) 19.215 3.276 ( 3.886 -4.685 2.741) 6.675 3.349 ( 0.549 -5.943 11.492) 12.949 3.984 ( -4.940 8.903 -2.367) 10.453 4.214 ( -7.401 0.207 2.727) 7.891 4.556 ( 1.719 -15.354 -16.268) 22.435 4.730 ( 4.206 -7.275 10.943) 13.798 5.122 ( 0.976 -0.886 3.965) 4.179 5.286 ( -1.614 -7.809 -3.937) 8.893 5.435 ( 6.667 -7.714 7.067) 12.405 5.699 ( -3.657 -8.862 6.158) 11.395 6.462 ( 8.610 7.710 1.764) 11.692 6.898 ( -3.736 6.081 5.161) 8.808 7.326 ( -7.896 7.685 -1.870) 11.176 7.617 ( 4.018 -12.913 2.278) 13.714 8.489 ( 1.815 4.592 2.377) 5.480 8.652 ( -2.388 -2.345 6.903) 7.671 9.611 ( -2.009 4.675 -14.066) 14.958 10.196 ( -6.006 9.678 8.079) 13.965 11.137 ( -1.136 2.540 -17.184) 17.408 11.567 ( 14.578 -2.334 -1.931) 14.890 11.809 ( -3.947 10.981 8.646) 14.523 12.507 ( 1.846 -11.707 0.296) 11.856 12.765 ( -4.669 -1.389 2.448) 5.452 12.834 ( 0.802 -3.838 6.236) 7.366 13.963 ( 4.741 10.828 -2.551) 12.092 14.353 ( -4.478 11.037 -3.980) 12.558 21.621 ( -5.785 3.048 0.149) 6.540 21.818 ( 13.255 6.821 0.513) 14.916 22.375 ( 2.523 0.065 -2.011) 3.227 22.399 ( -2.445 -1.036 0.526) 2.707 22.969 ( -10.279 2.810 -7.123) 12.818 23.789 ( 2.642 -0.476 -0.367) 2.710 23.849 ( -3.379 0.246 -0.951) 3.519 24.540 ( 3.757 -12.865 9.475) 16.413 ======================= Grid point 200 (108/131) ======================= q-point: (-0.53 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 3.580 -6.130 -23.125) 24.190 2.456 ( 4.510 -15.275 -14.653) 21.642 3.156 ( -1.578 -6.898 6.893) 9.878 3.248 ( 2.667 -6.758 15.895) 17.477 3.960 ( 2.331 -7.506 -12.014) 14.357 4.127 ( -1.463 6.624 -2.218) 7.137 4.419 ( 5.025 -7.496 -11.464) 14.590 4.684 ( 3.501 -3.862 -0.846) 5.281 5.067 ( -3.941 -6.076 -2.354) 7.615 5.244 ( -2.892 6.450 9.155) 11.567 5.409 ( 3.693 -7.760 8.703) 12.231 5.566 ( 10.113 -7.636 14.723) 19.426 6.706 ( -2.031 -0.339 0.859) 2.231 6.845 ( 2.401 2.981 6.756) 7.765 7.234 ( -8.989 3.324 4.428) 10.557 7.552 ( 7.834 -7.845 -0.523) 11.099 8.560 ( -1.296 -0.535 2.252) 2.653 8.609 ( 1.314 1.659 4.574) 5.040 9.745 ( -4.839 12.639 -14.691) 19.975 10.247 ( -6.446 9.820 8.196) 14.323 11.108 ( -6.630 4.917 -20.162) 21.787 11.684 ( 2.315 -4.042 0.967) 4.757 12.051 ( 10.702 -0.319 7.090) 12.841 12.272 ( -1.014 -9.356 3.347) 9.988 12.649 ( -1.285 -1.626 -1.538) 2.581 12.824 ( 2.391 -1.997 8.333) 8.896 14.202 ( -3.298 8.641 -7.042) 11.625 14.432 ( -8.777 12.457 0.763) 15.257 21.614 ( -5.500 7.473 0.706) 9.306 22.084 ( -0.660 -1.431 0.882) 1.805 22.314 ( -2.314 1.214 0.200) 2.621 22.434 ( 2.301 -0.120 -2.211) 3.194 22.987 ( 7.654 6.142 -12.674) 16.029 23.768 ( -2.576 -0.222 -1.540) 3.010 23.802 ( 0.877 -3.467 2.948) 4.634 24.327 ( 0.479 -11.154 11.213) 15.823 ======================= Grid point 203 (109/131) ======================= q-point: (-0.53 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 9.815 -3.791 -23.937) 26.147 2.365 ( 14.650 -4.404 -20.658) 25.706 3.139 ( 6.037 1.670 12.130) 13.652 3.197 ( 2.834 -2.713 11.054) 11.729 4.039 ( 15.524 -3.781 -10.686) 19.222 4.227 ( -0.502 0.655 -5.942) 5.999 4.448 ( 7.609 -1.870 5.412) 9.523 4.615 ( -2.381 -4.566 -10.551) 11.740 5.010 ( 2.182 3.886 -1.152) 4.604 5.184 ( -2.986 1.353 8.802) 9.393 5.390 ( 3.713 -5.900 10.158) 12.320 5.639 ( 9.171 -6.547 11.693) 16.239 6.512 ( -9.079 1.306 3.357) 9.768 7.001 ( 1.075 -0.440 4.774) 4.913 7.264 ( 3.478 7.643 3.435) 9.073 7.543 ( 5.329 -7.554 0.757) 9.276 8.529 ( -2.210 1.016 0.740) 2.542 8.651 ( 1.836 -1.059 5.965) 6.331 9.754 ( -10.334 4.075 -13.374) 17.386 10.381 ( -4.877 8.502 6.612) 11.823 11.099 ( -5.295 7.309 -19.199) 21.215 11.485 ( -3.808 -6.335 -0.919) 7.449 12.048 ( -1.294 -7.226 8.058) 10.900 12.291 ( 8.699 -0.111 1.612) 8.848 12.696 ( 4.522 1.602 -0.025) 4.797 12.824 ( 2.590 -3.121 8.276) 9.216 14.127 ( -13.932 4.797 -5.330) 15.669 14.506 ( -7.343 7.318 -1.039) 10.419 21.683 ( -6.274 10.664 -0.123) 12.374 21.871 ( -7.121 -6.083 1.467) 9.479 22.324 ( -1.599 3.395 -1.084) 3.906 22.436 ( 0.913 -2.566 0.086) 2.725 23.191 ( 3.777 -8.013 -16.930) 19.108 23.750 ( -1.072 1.436 -0.281) 1.813 23.841 ( 6.196 1.654 0.278) 6.419 24.232 ( 6.506 -0.706 16.297) 17.562 ======================= Grid point 218 (110/131) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.000 0.000 -30.318) 30.318 1.357 ( -0.000 0.000 -30.318) 30.318 2.447 ( -0.000 0.000 -53.821) 53.821 3.289 ( 0.000 -0.000 10.704) 10.704 3.289 ( 0.000 -0.000 10.704) 10.704 4.255 ( -0.000 0.000 -15.890) 15.890 4.329 ( 0.000 -0.000 3.408) 3.408 4.329 ( 0.000 -0.000 3.408) 3.408 5.155 ( 0.000 -0.000 3.347) 3.347 5.155 ( 0.000 -0.000 3.347) 3.347 5.833 ( 0.000 -0.000 15.404) 15.404 5.874 ( 0.000 -0.000 21.235) 21.235 6.800 ( -0.000 0.000 -5.287) 5.287 6.996 ( 0.000 -0.000 5.901) 5.901 6.996 ( 0.000 -0.000 5.901) 5.901 7.763 ( 0.000 -0.000 13.824) 13.824 8.629 ( 0.000 -0.000 2.077) 2.077 8.629 ( 0.000 -0.000 2.077) 2.077 10.215 ( -0.000 0.000 -5.259) 5.259 10.778 ( 0.000 -0.000 3.414) 3.414 10.852 ( -0.000 0.000 -22.084) 22.084 11.317 ( -0.000 0.000 -3.220) 3.220 11.317 ( -0.000 0.000 -3.220) 3.220 12.603 ( -0.000 0.000 -1.419) 1.419 12.603 ( -0.000 0.000 -1.419) 1.419 12.962 ( 0.000 -0.000 20.222) 20.222 14.227 ( -0.000 0.000 -9.620) 9.620 15.009 ( 0.000 -0.000 6.437) 6.437 22.079 ( 0.000 -0.000 1.029) 1.029 22.079 ( 0.000 -0.000 1.029) 1.029 22.376 ( -0.000 0.000 -1.317) 1.317 22.376 ( -0.000 0.000 -1.317) 1.317 22.573 ( -0.000 0.000 -14.462) 14.462 23.703 ( -0.000 0.000 -3.530) 3.530 23.760 ( 0.000 -0.000 6.187) 6.187 24.193 ( 0.000 -0.000 6.569) 6.569 ======================= Grid point 219 (111/131) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -18.834 18.954 -0.000) 26.721 2.963 ( -4.339 11.324 -0.000) 12.127 3.328 ( -0.897 3.854 -0.000) 3.957 3.358 ( 0.536 -9.110 0.000) 9.126 3.641 ( -0.481 -14.960 0.000) 14.967 4.366 ( 6.268 -3.647 0.000) 7.252 4.843 ( -2.745 -4.694 0.000) 5.438 4.934 ( 11.929 4.461 -0.000) 12.735 5.190 ( 3.888 1.360 -0.000) 4.119 5.519 ( 7.124 -2.842 0.000) 7.670 5.812 ( -3.142 -4.302 0.000) 5.327 6.094 ( 2.725 4.663 -0.000) 5.400 6.266 ( -10.827 -13.270 0.000) 17.127 6.598 ( -1.791 -2.571 0.000) 3.134 6.994 ( -7.484 7.515 -0.000) 10.606 8.055 ( 11.397 -11.465 0.000) 16.166 8.189 ( 3.527 10.454 -0.000) 11.033 8.679 ( -4.840 -4.571 0.000) 6.657 9.790 ( -1.893 4.609 -0.000) 4.982 9.886 ( -3.201 -3.270 0.000) 4.576 11.196 ( 3.232 9.011 -0.000) 9.573 11.341 ( 3.316 -4.715 0.000) 5.764 11.610 ( -8.344 4.323 -0.000) 9.397 12.699 ( -2.702 -4.486 0.000) 5.237 12.871 ( 8.119 -3.049 0.000) 8.673 13.033 ( -2.556 -6.980 0.000) 7.433 13.694 ( 7.168 4.095 -0.000) 8.255 13.977 ( -6.832 9.015 -0.000) 11.312 21.615 ( 11.197 2.517 -0.000) 11.477 21.666 ( -6.906 -4.279 0.000) 8.124 22.362 ( 6.696 1.515 -0.000) 6.865 22.446 ( -2.201 -0.729 0.000) 2.318 22.776 ( -10.887 7.079 -0.000) 12.986 23.800 ( 3.094 -0.225 -0.000) 3.102 23.808 ( -2.078 1.820 -0.000) 2.762 24.936 ( 2.313 -9.394 0.000) 9.674 ======================= Grid point 220 (112/131) ======================= q-point: (-0.75 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -8.327 -13.234 0.000) 15.636 2.883 ( -12.239 11.508 -0.000) 16.800 3.270 ( 2.538 -3.970 0.000) 4.712 3.341 ( -0.284 -10.645 0.000) 10.649 3.743 ( 4.953 20.315 -0.000) 20.910 4.201 ( -1.722 -16.882 0.000) 16.970 4.693 ( -3.471 -3.631 0.000) 5.023 5.040 ( 4.421 -3.851 0.000) 5.863 5.189 ( -0.039 -8.579 0.000) 8.579 5.529 ( 4.111 -10.001 0.000) 10.813 5.661 ( 5.995 -7.183 0.000) 9.356 5.839 ( -5.343 -12.483 0.000) 13.578 6.393 ( 3.739 17.258 -0.000) 17.658 6.597 ( -7.229 7.193 -0.000) 10.198 6.979 ( -5.668 2.895 -0.000) 6.365 8.015 ( 8.472 -12.357 0.000) 14.983 8.430 ( 4.417 4.919 -0.000) 6.611 8.561 ( -1.280 -1.699 0.000) 2.128 9.752 ( -3.397 0.979 -0.000) 3.536 9.799 ( -2.883 1.245 -0.000) 3.140 11.120 ( -17.297 8.634 -0.000) 19.332 11.437 ( 2.115 4.694 -0.000) 5.149 11.860 ( 13.187 6.340 -0.000) 14.632 12.663 ( 2.321 0.271 -0.000) 2.337 12.790 ( 1.234 -11.297 0.000) 11.364 12.897 ( -0.212 -6.797 0.000) 6.800 13.905 ( 4.058 6.482 -0.000) 7.647 13.989 ( -13.059 11.795 -0.000) 17.597 21.503 ( -4.083 -1.650 0.000) 4.404 21.969 ( 13.379 4.747 -0.000) 14.196 22.370 ( -2.288 -2.408 0.000) 3.322 22.484 ( 3.875 0.145 -0.000) 3.878 22.702 ( -7.318 8.708 -0.000) 11.375 23.780 ( -2.681 0.322 0.000) 2.700 23.867 ( 3.184 0.151 -0.000) 3.187 24.695 ( -5.921 -11.140 0.000) 12.615 ======================= Grid point 224 (113/131) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -1.004 -0.547 0.000) 1.143 2.884 ( -1.689 2.583 -0.000) 3.086 3.190 ( -1.638 -7.113 0.000) 7.299 3.198 ( 2.865 -7.029 0.000) 7.590 3.912 ( -0.195 -2.613 0.000) 2.620 4.140 ( 8.028 4.979 -0.000) 9.447 4.656 ( 2.857 2.384 -0.000) 3.721 4.951 ( -9.299 -3.859 0.000) 10.068 4.980 ( -4.420 -3.207 0.000) 5.461 5.354 ( 2.599 -12.929 0.000) 13.188 5.636 ( 11.999 -14.068 0.000) 18.490 5.747 ( 9.805 -3.668 0.000) 10.468 6.494 ( -10.664 0.228 0.000) 10.667 6.716 ( -10.917 17.860 -0.000) 20.932 6.973 ( 9.261 -1.494 -0.000) 9.381 7.928 ( 5.480 -10.234 0.000) 11.609 8.524 ( -1.445 -0.561 0.000) 1.550 8.553 ( 3.368 1.134 -0.000) 3.554 9.803 ( -1.853 2.657 -0.000) 3.239 9.805 ( 0.151 8.621 -0.000) 8.622 11.033 ( -10.897 11.123 -0.000) 15.571 11.451 ( -8.885 0.953 0.000) 8.936 12.215 ( 10.966 5.168 -0.000) 12.123 12.556 ( 0.405 -15.891 0.000) 15.896 12.743 ( 3.326 0.904 -0.000) 3.447 12.762 ( 1.294 -4.128 0.000) 4.326 13.910 ( -16.588 9.670 -0.000) 19.201 14.109 ( 0.600 9.603 -0.000) 9.622 21.432 ( -3.013 1.182 -0.000) 3.236 22.072 ( -3.705 -2.598 0.000) 4.525 22.265 ( -2.128 -2.556 0.000) 3.326 22.521 ( 1.547 -1.379 0.000) 2.072 23.096 ( 16.183 19.938 -0.000) 25.679 23.733 ( -1.464 -0.405 0.000) 1.519 23.882 ( 0.498 -4.360 0.000) 4.388 24.313 ( -10.782 -9.264 0.000) 14.215 ======================= Grid point 226 (114/131) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 11.926 14.379 -0.000) 18.682 2.894 ( 3.888 -3.150 0.000) 5.004 3.114 ( 6.719 -1.907 0.000) 6.985 3.159 ( 3.591 -3.445 0.000) 4.977 4.069 ( 2.649 9.106 -0.000) 9.484 4.302 ( 9.804 -6.219 0.000) 11.611 4.541 ( -15.754 -7.753 0.000) 17.558 4.725 ( 4.923 -3.172 0.000) 5.857 5.059 ( -1.509 14.914 -0.000) 14.990 5.216 ( 5.856 -8.155 0.000) 10.039 5.673 ( 16.601 -13.567 0.000) 21.440 5.823 ( 7.384 -6.007 0.000) 9.519 6.273 ( -8.309 -0.632 0.000) 8.333 6.717 ( -13.477 10.838 -0.000) 17.294 7.261 ( 12.559 5.207 -0.000) 13.595 7.802 ( 0.386 -9.981 0.000) 9.989 8.455 ( -4.689 -0.584 0.000) 4.725 8.634 ( 3.873 -0.369 -0.000) 3.890 9.813 ( -0.410 1.065 -0.000) 1.141 10.039 ( 0.580 10.103 -0.000) 10.119 11.105 ( -5.339 11.255 -0.000) 12.457 11.162 ( -15.860 -0.284 0.000) 15.862 12.228 ( -0.117 -16.571 0.000) 16.572 12.474 ( 7.164 3.192 -0.000) 7.843 12.777 ( 4.215 -2.654 0.000) 4.981 12.818 ( 4.164 0.245 -0.000) 4.171 13.749 ( -15.278 7.223 -0.000) 16.899 14.263 ( -4.525 8.594 -0.000) 9.712 21.427 ( -2.991 4.261 -0.000) 5.206 21.901 ( -2.181 -6.749 0.000) 7.093 22.221 ( -2.341 2.524 -0.000) 3.442 22.506 ( 0.938 -2.329 0.000) 2.510 23.623 ( -8.300 -13.400 0.000) 15.762 23.679 ( -0.514 4.620 -0.000) 4.648 23.910 ( 19.533 16.278 -0.000) 25.426 24.033 ( -5.767 -2.775 0.000) 6.400 ======================= Grid point 230 (115/131) ======================= q-point: ( 0.25 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 10.339 -4.502 0.000) 11.276 3.181 ( 4.380 8.890 -0.000) 9.910 3.210 ( 8.264 -2.733 0.000) 8.704 3.318 ( 13.062 1.350 -0.000) 13.131 3.795 ( -25.750 -5.035 0.000) 26.237 4.251 ( 4.528 -7.917 0.000) 9.121 4.585 ( 11.011 7.869 -0.000) 13.534 4.813 ( 0.921 3.850 -0.000) 3.958 5.226 ( 2.882 -3.126 0.000) 4.252 5.307 ( 1.186 10.128 -0.000) 10.197 5.733 ( 14.308 -10.093 0.000) 17.509 5.946 ( 15.561 -0.110 -0.000) 15.561 6.175 ( -5.833 2.510 -0.000) 6.350 6.648 ( -10.268 6.141 -0.000) 11.964 7.492 ( -9.304 -14.202 0.000) 16.978 7.629 ( 11.642 8.565 -0.000) 14.453 8.328 ( -7.655 0.421 0.000) 7.666 8.673 ( 4.281 -3.567 0.000) 5.573 9.836 ( 0.508 0.355 -0.000) 0.620 10.016 ( -5.082 -5.602 0.000) 7.564 11.098 ( -8.190 16.844 -0.000) 18.730 11.221 ( -1.965 7.427 -0.000) 7.683 11.914 ( 0.346 -16.301 0.000) 16.304 12.654 ( 5.338 4.388 -0.000) 6.910 12.747 ( 1.601 -5.962 0.000) 6.173 12.930 ( 6.182 0.070 -0.000) 6.183 13.658 ( -8.711 8.002 -0.000) 11.829 14.225 ( -9.525 1.375 0.000) 9.623 21.484 ( -2.966 7.688 -0.000) 8.240 21.753 ( 2.006 -8.118 0.000) 8.362 22.267 ( -1.996 6.109 -0.000) 6.426 22.475 ( 0.959 -2.625 0.000) 2.795 23.174 ( -9.527 -12.890 0.000) 16.029 23.730 ( 0.159 3.127 -0.000) 3.131 23.901 ( -2.949 -2.724 0.000) 4.015 24.559 ( 14.714 12.379 -0.000) 19.229 ======================= Grid point 233 (116/131) ======================= q-point: ( 0.75 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -5.980 -11.960 -0.000) 13.372 2.786 ( 5.980 11.960 -0.000) 13.372 2.800 ( -1.703 -3.406 0.000) 3.808 2.800 ( 1.703 3.406 0.000) 3.808 3.977 ( -0.687 -1.375 -0.000) 1.537 3.977 ( 0.687 1.375 -0.000) 1.537 4.644 ( -0.938 -1.877 -0.000) 2.098 4.644 ( 0.938 1.877 -0.000) 2.098 5.695 ( -1.648 -3.296 -0.000) 3.685 5.695 ( 1.648 3.296 -0.000) 3.685 6.034 ( -1.116 -2.232 0.000) 2.495 6.034 ( 1.116 2.232 -0.000) 2.495 6.243 ( -2.900 -5.801 0.000) 6.485 6.243 ( 2.900 5.801 -0.000) 6.485 7.797 ( -5.020 -10.041 -0.000) 11.226 7.797 ( 5.020 10.041 -0.000) 11.226 8.507 ( -3.011 -6.022 -0.000) 6.733 8.507 ( 3.011 6.022 -0.000) 6.733 9.487 ( -2.908 -5.816 -0.000) 6.503 9.487 ( 2.908 5.816 -0.000) 6.503 11.041 ( -5.638 -11.277 -0.000) 12.608 11.041 ( 5.638 11.277 -0.000) 12.608 12.326 ( -3.330 -6.660 -0.000) 7.446 12.326 ( 3.330 6.660 -0.000) 7.446 13.031 ( -0.661 -1.322 -0.000) 1.478 13.031 ( 0.661 1.322 -0.000) 1.478 13.568 ( -3.382 -6.764 -0.000) 7.562 13.568 ( 3.382 6.764 -0.000) 7.562 21.669 ( -2.771 -5.542 -0.000) 6.197 21.669 ( 2.771 5.542 -0.000) 6.197 22.511 ( -0.463 -0.927 -0.000) 1.036 22.511 ( 0.463 0.927 -0.000) 1.036 23.579 ( -7.146 -14.292 -0.000) 15.979 23.579 ( 7.146 14.292 0.000) 15.979 23.771 ( -1.136 -2.272 0.000) 2.540 23.771 ( 1.136 2.272 -0.000) 2.540 ======================= Grid point 245 (117/131) ======================= q-point: (-0.48 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -4.336 -8.811 -25.512) 27.337 2.391 ( 2.775 -17.245 -16.974) 24.355 3.162 ( 0.595 -6.143 10.832) 12.466 3.196 ( 2.201 -8.395 13.020) 15.648 3.973 ( -2.686 -14.671 -17.861) 23.269 4.173 ( -3.476 2.830 -10.070) 11.023 4.411 ( -2.954 -3.754 1.809) 5.108 4.600 ( 3.647 -3.677 -3.545) 6.276 5.171 ( 6.058 -1.544 0.528) 6.274 5.183 ( -1.155 1.792 6.480) 6.822 5.298 ( 1.731 -4.128 11.159) 12.024 5.537 ( -4.089 -7.612 14.568) 16.937 6.590 ( 6.616 6.037 1.597) 9.098 6.945 ( -5.508 -0.896 6.030) 8.216 7.369 ( -1.321 -11.412 1.686) 11.611 7.428 ( 0.823 1.778 3.958) 4.417 8.559 ( 1.529 2.581 2.466) 3.884 8.617 ( -1.985 -1.197 3.746) 4.405 9.796 ( -0.057 14.405 -13.536) 19.767 10.396 ( -6.411 10.193 7.510) 14.191 11.202 ( -1.163 3.781 -21.210) 21.575 11.488 ( 10.827 -4.599 -2.261) 11.979 11.973 ( -0.921 -0.177 9.746) 9.791 12.287 ( -0.451 -6.106 2.778) 6.723 12.694 ( -2.255 -3.849 -0.335) 4.473 12.791 ( 0.511 -2.552 8.534) 8.922 14.198 ( 2.394 12.042 -5.714) 13.543 14.559 ( -2.374 10.203 -0.179) 10.477 21.728 ( -5.820 8.043 0.142) 9.928 21.949 ( 12.293 6.027 0.441) 13.698 22.367 ( -1.791 -0.081 -0.671) 1.914 22.396 ( 1.046 0.160 -0.906) 1.393 23.004 ( -8.177 0.513 -12.675) 15.092 23.770 ( 0.954 -1.978 1.591) 2.712 23.835 ( -2.340 -1.828 -2.160) 3.672 24.277 ( 3.918 -13.109 13.457) 19.191 ======================= Grid point 248 (118/131) ======================= q-point: (-0.48 -0.28 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 7.985 -0.431 -26.313) 27.501 2.173 ( 5.789 -12.398 -22.762) 26.558 3.063 ( 1.736 -2.490 12.330) 12.698 3.122 ( 4.293 -5.315 15.129) 16.600 3.775 ( 10.127 -8.683 -33.444) 36.006 4.247 ( 0.259 3.449 6.327) 7.210 4.301 ( 3.764 -4.331 -0.739) 5.786 4.624 ( 1.651 -2.191 -13.105) 13.389 5.023 ( -3.909 1.956 -0.406) 4.390 5.255 ( 1.499 -5.124 5.532) 7.688 5.364 ( -3.853 0.162 16.383) 16.831 5.446 ( 9.511 -2.325 19.616) 21.923 6.690 ( -8.023 -0.249 1.012) 8.091 6.899 ( 6.048 2.466 5.353) 8.445 7.202 ( 4.155 -5.400 1.557) 6.989 7.464 ( 2.268 -1.715 7.451) 7.975 8.564 ( -1.685 0.987 0.577) 2.036 8.623 ( 1.312 -0.339 3.495) 3.749 10.004 ( -13.067 11.805 -12.503) 21.597 10.462 ( -4.515 11.598 6.730) 14.149 11.200 ( -4.679 4.595 -21.151) 22.145 11.536 ( -0.679 -11.290 -1.648) 11.430 11.842 ( 16.673 -11.631 0.451) 20.334 12.305 ( -5.372 5.218 12.623) 14.678 12.638 ( 1.328 0.440 -1.102) 1.780 12.763 ( 3.396 -3.929 7.334) 8.986 14.332 ( -6.162 4.564 -8.667) 11.572 14.656 ( -7.770 9.384 4.273) 12.910 21.809 ( -6.414 12.065 -0.099) 13.665 22.023 ( -6.933 -4.141 0.884) 8.124 22.356 ( -1.556 2.349 -0.869) 2.949 22.419 ( 0.966 -1.342 -0.571) 1.749 23.050 ( 8.831 -0.972 -17.629) 19.741 23.713 ( 4.409 -4.145 8.536) 10.463 23.784 ( -1.268 1.198 -3.373) 3.798 24.142 ( 3.575 -6.659 11.235) 13.541 ======================= Grid point 265 (119/131) ======================= q-point: (-0.70 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -7.441 -12.275 0.000) 14.355 3.097 ( -7.820 -4.241 0.000) 8.895 3.261 ( -1.002 4.120 -0.000) 4.240 3.335 ( 0.644 -15.599 0.000) 15.612 3.718 ( -2.040 25.570 -0.000) 25.651 4.185 ( 1.121 -11.395 0.000) 11.450 4.713 ( 3.267 -8.190 0.000) 8.818 4.920 ( 6.572 -4.480 0.000) 7.954 5.185 ( -0.923 -2.837 0.000) 2.983 5.447 ( 4.781 -5.497 0.000) 7.285 5.612 ( -1.602 -13.336 0.000) 13.432 5.936 ( -2.688 -18.028 0.000) 18.228 6.261 ( 6.942 10.335 -0.000) 12.450 6.691 ( -1.730 8.753 -0.000) 8.922 7.204 ( -14.737 10.758 -0.000) 18.246 7.821 ( 10.622 -12.287 0.000) 16.242 8.357 ( 2.736 6.843 -0.000) 7.370 8.604 ( -3.096 -2.815 0.000) 4.185 9.813 ( -2.499 -0.847 0.000) 2.639 9.891 ( -6.210 4.180 -0.000) 7.486 11.355 ( 5.944 5.101 -0.000) 7.833 11.371 ( 1.727 8.962 -0.000) 9.127 11.653 ( -2.050 -0.286 0.000) 2.070 12.663 ( -2.335 0.572 -0.000) 2.404 12.734 ( 3.822 -9.747 0.000) 10.470 12.918 ( -1.229 -5.728 0.000) 5.858 13.801 ( 6.503 7.329 -0.000) 9.798 14.181 ( -6.152 11.312 -0.000) 12.876 21.607 ( -6.548 -1.465 0.000) 6.710 21.691 ( 13.315 5.273 -0.000) 14.321 22.388 ( 5.865 1.110 -0.000) 5.969 22.421 ( -2.800 -1.715 0.000) 3.283 22.917 ( -12.986 7.240 -0.000) 14.868 23.798 ( 3.723 -0.163 -0.000) 3.726 23.840 ( -3.307 1.466 -0.000) 3.617 24.719 ( 3.611 -12.951 0.000) 13.445 ======================= Grid point 269 (120/131) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -5.932 -6.622 0.000) 8.890 2.907 ( -0.346 -6.383 0.000) 6.393 3.112 ( 4.769 -11.488 0.000) 12.439 3.249 ( -4.166 -2.855 0.000) 5.051 3.948 ( -2.815 -6.008 0.000) 6.635 4.088 ( -2.320 11.995 -0.000) 12.217 4.641 ( 0.694 0.328 -0.000) 0.768 4.982 ( 5.963 -1.805 0.000) 6.231 5.005 ( 0.048 -9.362 0.000) 9.362 5.300 ( 1.900 -13.035 0.000) 13.173 5.544 ( -2.205 -16.485 0.000) 16.632 5.547 ( 10.282 -5.226 0.000) 11.534 6.649 ( 11.624 8.334 -0.000) 14.303 6.699 ( -9.613 2.580 -0.000) 9.954 7.080 ( -14.022 6.574 -0.000) 15.487 7.780 ( 9.319 -11.676 0.000) 14.938 8.495 ( 2.365 2.286 -0.000) 3.289 8.544 ( -1.075 0.077 0.000) 1.078 9.813 ( -0.676 6.294 -0.000) 6.331 9.886 ( -6.717 7.061 -0.000) 9.745 11.285 ( -14.364 8.166 -0.000) 16.523 11.544 ( -0.661 5.198 -0.000) 5.240 11.936 ( 17.337 1.757 -0.000) 17.426 12.537 ( 1.187 -14.709 0.000) 14.757 12.698 ( 1.250 2.418 -0.000) 2.722 12.765 ( -1.312 -6.030 0.000) 6.171 14.072 ( 3.110 10.821 -0.000) 11.259 14.211 ( -13.243 10.413 -0.000) 16.847 21.509 ( -4.816 2.416 -0.000) 5.388 22.053 ( 7.679 3.349 -0.000) 8.378 22.318 ( -3.342 -2.242 0.000) 4.025 22.479 ( 2.945 -0.693 0.000) 3.025 22.909 ( 0.557 12.069 -0.000) 12.081 23.784 ( -3.539 0.105 0.000) 3.541 23.848 ( 2.723 -2.593 0.000) 3.760 24.456 ( -3.306 -13.233 0.000) 13.640 ======================= Grid point 271 (121/131) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 6.894 7.253 -0.000) 10.007 2.826 ( 4.022 -6.965 0.000) 8.042 3.041 ( 0.201 -7.750 0.000) 7.753 3.066 ( 6.760 -5.713 0.000) 8.851 3.989 ( 2.969 8.761 -0.000) 9.250 4.132 ( 4.570 -3.174 0.000) 5.564 4.694 ( -1.480 0.774 -0.000) 1.670 4.870 ( -14.663 -5.148 0.000) 15.540 5.022 ( 5.973 5.416 -0.000) 8.063 5.121 ( 3.594 -9.582 0.000) 10.233 5.340 ( 15.927 -14.852 0.000) 21.777 5.656 ( 9.991 -5.805 0.000) 11.555 6.471 ( -11.708 -1.635 0.000) 11.822 6.943 ( -3.674 1.714 -0.000) 4.054 7.037 ( 4.716 11.066 -0.000) 12.029 7.730 ( 6.806 -10.139 0.000) 12.212 8.522 ( -2.513 0.338 0.000) 2.535 8.568 ( 2.775 0.503 -0.000) 2.820 9.866 ( -5.856 3.465 -0.000) 6.805 10.029 ( 0.452 13.699 -0.000) 13.706 11.252 ( -8.924 11.136 -0.000) 14.271 11.443 ( -12.057 -1.986 0.000) 12.220 12.225 ( 0.218 -17.221 0.000) 17.222 12.271 ( 13.732 0.938 -0.000) 13.764 12.708 ( 2.706 -1.617 0.000) 3.153 12.757 ( 2.247 0.053 -0.000) 2.248 14.075 ( -17.298 7.195 -0.000) 18.735 14.319 ( -1.211 11.201 -0.000) 11.266 21.503 ( -4.735 6.380 -0.000) 7.945 21.982 ( -5.790 -6.145 0.000) 8.444 22.268 ( -2.389 2.475 -0.000) 3.440 22.486 ( 1.170 -2.246 0.000) 2.533 23.484 ( 20.456 19.036 -0.000) 27.943 23.726 ( -2.624 -11.621 0.000) 11.913 23.729 ( -1.984 0.386 0.000) 2.021 24.147 ( -5.158 -7.754 0.000) 9.313 ======================= Grid point 275 (122/131) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 7.832 -7.367 0.000) 10.752 2.905 ( 15.346 4.530 -0.000) 16.001 3.076 ( 10.936 -1.986 -0.000) 11.115 3.157 ( 4.744 5.649 -0.000) 7.377 4.160 ( 5.472 -7.811 0.000) 9.537 4.247 ( -13.261 5.339 -0.000) 14.295 4.420 ( -0.902 -1.411 0.000) 1.675 4.726 ( 4.125 2.851 -0.000) 5.015 5.129 ( 6.374 -1.535 0.000) 6.556 5.265 ( 4.994 5.693 -0.000) 7.573 5.422 ( 16.575 -10.371 0.000) 19.552 5.700 ( 9.736 -5.645 0.000) 11.254 6.304 ( -7.214 4.083 -0.000) 8.289 6.856 ( -9.268 3.155 -0.000) 9.790 7.401 ( 11.334 8.716 -0.000) 14.298 7.595 ( -0.994 -11.406 0.000) 11.450 8.450 ( -5.033 0.179 0.000) 5.037 8.611 ( 2.355 -1.803 0.000) 2.965 9.825 ( -1.219 0.254 0.000) 1.245 10.147 ( -7.509 -0.365 0.000) 7.518 11.255 ( -7.974 10.902 -0.000) 13.507 11.320 ( -6.978 10.309 -0.000) 12.449 11.903 ( 0.303 -16.558 0.000) 16.561 12.507 ( 9.761 0.708 -0.000) 9.787 12.726 ( 1.100 -2.332 0.000) 2.579 12.819 ( 5.113 -0.463 -0.000) 5.134 13.882 ( -14.228 6.317 -0.000) 15.567 14.395 ( -7.466 4.033 -0.000) 8.486 21.567 ( -5.374 10.179 -0.000) 11.511 21.756 ( -2.499 -7.535 0.000) 7.938 22.304 ( -1.787 5.222 -0.000) 5.519 22.453 ( 1.150 -3.106 0.000) 3.312 23.340 ( -7.266 -15.253 0.000) 16.895 23.733 ( -0.386 2.446 -0.000) 2.476 23.959 ( -2.904 -4.586 0.000) 5.428 24.227 ( 19.190 14.241 -0.000) 23.897 ======================= Grid point 293 (123/131) ======================= q-point: (-0.43 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -2.684 -3.724 -27.231) 27.616 2.097 ( 2.394 -11.789 -23.667) 26.549 3.055 ( 0.709 -4.273 15.118) 15.726 3.062 ( -0.152 -4.853 13.438) 14.288 3.677 ( -0.443 -12.449 -41.216) 43.057 4.226 ( -0.858 1.051 3.317) 3.584 4.296 ( 0.144 -6.129 6.369) 8.840 4.599 ( -0.086 2.074 -16.334) 16.465 5.127 ( 1.874 -1.295 -0.635) 2.365 5.148 ( -0.370 -3.189 2.126) 3.850 5.338 ( 0.874 0.492 25.760) 25.779 5.441 ( -1.728 0.490 17.305) 17.398 6.720 ( 3.102 7.687 0.146) 8.291 6.900 ( -3.562 -2.681 5.434) 7.029 7.133 ( 0.789 -12.145 -0.810) 12.198 7.448 ( -0.196 0.110 11.596) 11.598 8.591 ( 1.034 0.826 1.420) 1.942 8.602 ( -1.108 -0.460 1.562) 1.969 10.138 ( 0.805 18.446 -10.651) 21.315 10.573 ( -3.371 7.791 6.417) 10.642 11.275 ( -1.524 3.566 -21.927) 22.268 11.409 ( 7.241 -3.161 -2.280) 8.223 11.704 ( -2.866 -20.548 -1.373) 20.793 12.366 ( 0.170 8.353 14.968) 17.141 12.643 ( -0.961 -1.436 -0.774) 1.893 12.713 ( 0.543 -5.198 6.304) 8.189 14.381 ( 0.386 6.035 -9.048) 10.883 14.751 ( -0.393 8.722 5.930) 10.555 21.923 ( -5.010 10.988 0.110) 12.077 22.036 ( 7.114 2.772 0.558) 7.655 22.382 ( -0.849 1.379 -0.777) 1.796 22.398 ( 0.655 0.109 -0.895) 1.115 22.977 ( -2.857 -3.395 -16.596) 17.179 23.670 ( 0.015 -7.823 9.440) 12.260 23.802 ( -0.034 -0.968 -4.547) 4.649 24.090 ( 0.974 -5.317 9.892) 11.273 ======================= Grid point 313 (124/131) ======================= q-point: (-0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -8.088 -9.100 0.000) 12.175 2.913 ( -0.710 -11.488 0.000) 11.510 3.055 ( 0.633 -12.713 0.000) 12.729 3.281 ( 2.966 -5.873 0.000) 6.580 4.023 ( -5.503 -3.723 0.000) 6.644 4.186 ( -6.439 20.679 -0.000) 21.658 4.550 ( 8.609 -7.109 0.000) 11.165 4.828 ( 7.444 -3.872 0.000) 8.390 5.061 ( -5.612 -9.474 0.000) 11.011 5.299 ( -0.681 -9.611 0.000) 9.635 5.375 ( 5.726 -10.123 0.000) 11.630 5.615 ( -3.771 -14.212 0.000) 14.704 6.435 ( 9.309 7.310 -0.000) 11.836 6.841 ( -4.410 5.276 -0.000) 6.877 7.353 ( -13.400 3.933 -0.000) 13.965 7.586 ( 10.049 -11.504 0.000) 15.275 8.462 ( 1.100 4.257 -0.000) 4.397 8.573 ( -1.845 -0.468 0.000) 1.903 9.824 ( -0.352 3.505 -0.000) 3.523 10.044 ( -8.375 10.815 -0.000) 13.679 11.486 ( 6.193 7.124 -0.000) 9.440 11.545 ( 6.612 8.419 -0.000) 10.705 11.606 ( -3.407 -3.588 0.000) 4.948 12.518 ( 0.699 -12.466 0.000) 12.485 12.694 ( -0.809 1.692 -0.000) 1.876 12.797 ( -1.613 -6.198 0.000) 6.405 13.993 ( 4.952 12.425 -0.000) 13.376 14.392 ( -4.777 9.735 -0.000) 10.843 21.618 ( -6.428 2.844 -0.000) 7.029 21.813 ( 14.267 6.903 -0.000) 15.849 22.387 ( -3.578 -1.533 0.000) 3.893 22.404 ( 4.697 0.516 -0.000) 4.725 23.054 ( -12.959 6.664 -0.000) 14.572 23.788 ( 3.118 -1.109 0.000) 3.310 23.866 ( -4.721 1.162 -0.000) 4.862 24.430 ( 6.069 -16.540 0.000) 17.618 ======================= Grid point 315 (125/131) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -0.137 -0.176 0.000) 0.223 2.738 ( 4.283 -9.972 0.000) 10.852 2.920 ( 6.652 -7.707 0.000) 10.181 3.075 ( -2.035 -12.445 0.000) 12.611 3.976 ( -1.302 6.127 -0.000) 6.264 4.163 ( -6.874 -1.991 0.000) 7.157 4.755 ( -2.554 7.763 -0.000) 8.172 4.844 ( 9.670 -5.484 0.000) 11.117 4.954 ( 10.696 -3.622 0.000) 11.293 5.050 ( -1.445 -10.295 0.000) 10.396 5.247 ( -6.652 -12.569 0.000) 14.221 5.439 ( 11.943 -5.854 0.000) 13.301 6.702 ( -11.202 -1.512 0.000) 11.303 6.758 ( 11.406 4.232 -0.000) 12.166 7.183 ( -9.053 3.018 -0.000) 9.543 7.561 ( 9.712 -10.742 0.000) 14.482 8.534 ( 0.678 1.795 -0.000) 1.919 8.560 ( -1.400 1.198 -0.000) 1.843 10.015 ( 1.119 14.305 -0.000) 14.349 10.045 ( -11.964 8.577 -0.000) 14.721 11.432 ( -9.066 6.653 -0.000) 11.245 11.603 ( -3.967 -0.104 0.000) 3.968 11.952 ( 17.938 0.508 -0.000) 17.945 12.226 ( -0.518 -16.253 0.000) 16.261 12.678 ( 0.231 -2.778 0.000) 2.788 12.724 ( 1.273 -0.099 -0.000) 1.277 14.315 ( 1.407 13.349 -0.000) 13.423 14.382 ( -13.073 7.008 -0.000) 14.833 21.607 ( -5.760 7.813 -0.000) 9.706 22.074 ( -0.921 -1.492 0.000) 1.754 22.312 ( -2.294 1.834 -0.000) 2.936 22.458 ( 1.854 -1.432 0.000) 2.343 23.155 ( 9.988 12.611 -0.000) 16.087 23.743 ( 0.384 -8.893 0.000) 8.901 23.791 ( -4.086 0.959 -0.000) 4.197 24.198 ( 0.700 -12.321 0.000) 12.341 ======================= Grid point 319 (126/131) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 12.490 4.632 -0.000) 13.321 2.657 ( 5.889 -9.386 0.000) 11.081 2.911 ( 5.545 -5.289 0.000) 7.663 3.012 ( 9.610 0.959 -0.000) 9.658 4.073 ( 1.848 -2.626 0.000) 3.211 4.194 ( 5.670 11.219 -0.000) 12.571 4.705 ( -1.109 1.065 -0.000) 1.538 4.720 ( -15.220 -10.168 0.000) 18.304 4.996 ( 6.714 -4.826 0.000) 8.269 5.107 ( 10.171 2.152 -0.000) 10.396 5.136 ( 10.620 -3.376 0.000) 11.143 5.524 ( 9.328 -7.309 0.000) 11.851 6.469 ( -9.862 2.108 0.000) 10.085 6.948 ( 1.265 -1.036 0.000) 1.635 7.226 ( 5.140 8.087 -0.000) 9.583 7.535 ( 6.658 -9.783 0.000) 11.834 8.531 ( -3.366 0.416 0.000) 3.392 8.575 ( 1.233 0.270 -0.000) 1.262 9.931 ( -9.985 3.093 -0.000) 10.453 10.275 ( -5.003 8.692 -0.000) 10.029 11.402 ( -6.798 -0.015 0.000) 6.798 11.456 ( -6.290 9.367 -0.000) 11.283 11.917 ( -1.944 -13.633 0.000) 13.771 12.267 ( 14.753 -0.929 -0.000) 14.782 12.694 ( 2.146 0.016 -0.000) 2.146 12.739 ( 3.011 -1.829 0.000) 3.523 14.192 ( -16.659 4.905 -0.000) 17.366 14.506 ( -3.805 6.797 -0.000) 7.790 21.685 ( -6.478 12.084 -0.000) 13.711 21.854 ( -7.383 -6.742 0.000) 9.998 22.336 ( -1.591 3.999 -0.000) 4.304 22.435 ( 0.677 -2.981 0.000) 3.057 23.449 ( -3.880 -15.834 0.000) 16.303 23.704 ( 8.949 1.778 -0.000) 9.124 23.864 ( 11.896 14.632 -0.000) 18.858 24.007 ( -1.664 -6.739 0.000) 6.941 ======================= Grid point 340 (127/131) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -0.000 0.000 -26.474) 26.474 1.975 ( -0.000 0.000 -26.474) 26.474 3.013 ( 0.000 -0.000 14.904) 14.904 3.013 ( 0.000 -0.000 14.904) 14.904 3.547 ( -0.000 0.000 -48.076) 48.076 4.229 ( 0.000 -0.000 4.852) 4.852 4.229 ( 0.000 -0.000 4.852) 4.852 4.630 ( -0.000 0.000 -17.858) 17.858 5.115 ( 0.000 -0.000 0.588) 0.588 5.115 ( 0.000 -0.000 0.588) 0.588 5.313 ( 0.000 -0.000 30.194) 30.194 5.478 ( 0.000 -0.000 17.530) 17.530 6.870 ( 0.000 -0.000 5.000) 5.000 6.870 ( 0.000 -0.000 5.000) 5.000 6.936 ( -0.000 0.000 -7.867) 7.867 7.446 ( 0.000 -0.000 14.867) 14.867 8.598 ( 0.000 -0.000 0.834) 0.834 8.598 ( 0.000 -0.000 0.834) 0.834 10.358 ( -0.000 0.000 -7.642) 7.642 10.677 ( 0.000 -0.000 5.973) 5.973 11.373 ( -0.000 0.000 -25.795) 25.795 11.375 ( -0.000 0.000 -2.002) 2.002 11.375 ( -0.000 0.000 -2.002) 2.002 12.483 ( 0.000 -0.000 24.120) 24.120 12.631 ( -0.000 0.000 -1.027) 1.027 12.631 ( -0.000 0.000 -1.027) 1.027 14.437 ( -0.000 0.000 -9.884) 9.884 14.846 ( 0.000 -0.000 8.567) 8.567 22.061 ( 0.000 -0.000 0.608) 0.608 22.061 ( 0.000 -0.000 0.608) 0.608 22.400 ( -0.000 0.000 -0.813) 0.813 22.400 ( -0.000 0.000 -0.813) 0.813 22.918 ( -0.000 0.000 -17.034) 17.034 23.574 ( 0.000 -0.000 11.341) 11.341 23.793 ( -0.000 0.000 -4.811) 4.811 24.045 ( 0.000 -0.000 6.832) 6.832 ======================= Grid point 361 (128/131) ======================= q-point: (-0.60 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -6.390 -5.046 0.000) 8.142 2.678 ( 1.961 -12.200 0.000) 12.357 2.853 ( -0.074 -7.771 0.000) 7.771 3.070 ( 2.841 -13.270 0.000) 13.570 4.021 ( -2.806 2.341 -0.000) 3.654 4.317 ( -4.138 -5.498 0.000) 6.881 4.608 ( 5.321 8.282 -0.000) 9.844 4.769 ( 6.344 -3.482 0.000) 7.236 4.886 ( -5.908 -4.292 0.000) 7.302 5.097 ( -2.496 -9.165 0.000) 9.499 5.219 ( 9.503 -6.003 0.000) 11.241 5.387 ( -6.836 -9.569 0.000) 11.760 6.566 ( 7.796 6.811 -0.000) 10.352 6.879 ( -6.402 -0.976 0.000) 6.476 7.353 ( -8.809 -3.542 0.000) 9.494 7.380 ( 8.439 -9.583 0.000) 12.769 8.533 ( -0.214 2.990 -0.000) 2.998 8.576 ( -0.300 0.514 -0.000) 0.595 9.983 ( 2.206 12.908 -0.000) 13.095 10.272 ( -8.619 11.458 -0.000) 14.338 11.509 ( 7.170 -4.776 0.000) 8.615 11.596 ( 4.350 3.168 -0.000) 5.382 11.722 ( -2.897 8.618 -0.000) 9.092 12.244 ( -1.219 -15.181 0.000) 15.230 12.698 ( -1.950 -3.702 0.000) 4.184 12.704 ( 0.859 -0.874 0.000) 1.226 14.270 ( 3.172 15.159 -0.000) 15.488 14.546 ( -3.188 5.966 -0.000) 6.764 21.725 ( -6.384 8.157 -0.000) 10.358 21.944 ( 12.689 5.982 -0.000) 14.029 22.371 ( -3.471 0.075 0.000) 3.472 22.409 ( 3.198 0.051 -0.000) 3.198 23.171 ( -10.314 5.186 -0.000) 11.545 23.726 ( 1.088 -6.871 0.000) 6.956 23.886 ( -5.596 0.935 0.000) 5.674 24.105 ( 8.944 -14.829 0.000) 17.317 ======================= Grid point 365 (129/131) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 5.939 0.784 -0.000) 5.990 2.543 ( 5.471 -9.335 0.000) 10.820 2.830 ( 7.580 -1.450 -0.000) 7.718 2.856 ( 0.981 -8.835 0.000) 8.890 4.113 ( -5.425 -1.972 0.000) 5.773 4.116 ( 2.389 7.508 -0.000) 7.879 4.684 ( 5.961 -5.900 0.000) 8.387 4.730 ( 8.387 -13.505 0.000) 15.897 4.957 ( 2.167 6.925 -0.000) 7.256 5.016 ( -1.489 2.016 -0.000) 2.506 5.086 ( -7.418 -4.174 0.000) 8.512 5.327 ( 10.499 -5.385 0.000) 11.799 6.675 ( -10.563 -0.396 0.000) 10.571 6.836 ( 7.615 3.423 -0.000) 8.349 7.196 ( -0.708 -0.824 0.000) 1.086 7.369 ( 9.251 -8.511 0.000) 12.571 8.566 ( -0.232 1.442 -0.000) 1.461 8.578 ( -1.360 0.466 -0.000) 1.438 10.198 ( -16.186 6.722 -0.000) 17.526 10.330 ( -0.508 15.513 -0.000) 15.522 11.507 ( -3.869 -8.891 0.000) 9.696 11.531 ( 0.279 3.185 -0.000) 3.197 11.970 ( -2.732 -8.718 0.000) 9.136 11.971 ( 12.967 1.504 -0.000) 13.054 12.654 ( 1.477 0.042 -0.000) 1.478 12.696 ( 1.614 -2.418 0.000) 2.907 14.486 ( -12.212 3.770 -0.000) 12.780 14.547 ( -0.590 9.068 -0.000) 9.088 21.810 ( -6.175 12.491 -0.000) 13.934 22.013 ( -7.205 -4.166 0.000) 8.322 22.365 ( -1.296 2.894 -0.000) 3.171 22.425 ( 0.460 -1.851 0.000) 1.908 23.369 ( 16.206 8.506 -0.000) 18.303 23.493 ( -0.679 -15.527 0.000) 15.542 23.836 ( -2.395 3.954 -0.000) 4.623 24.009 ( 1.825 -7.119 0.000) 7.349 ======================= Grid point 411 (130/131) ======================= q-point: (-0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -3.033 -3.550 0.000) 4.669 2.465 ( 2.246 -8.727 0.000) 9.011 2.759 ( -0.723 -2.147 0.000) 2.265 2.838 ( 1.183 -9.249 0.000) 9.324 4.095 ( -0.012 4.962 -0.000) 4.962 4.211 ( -0.844 -4.219 0.000) 4.302 4.566 ( 0.215 -6.523 0.000) 6.527 4.627 ( 1.062 -10.180 0.000) 10.235 4.993 ( -3.403 8.527 -0.000) 9.181 5.026 ( 0.535 1.588 -0.000) 1.675 5.140 ( 7.925 -2.272 0.000) 8.245 5.225 ( -5.634 -7.252 0.000) 9.184 6.712 ( 4.402 7.764 -0.000) 8.925 6.837 ( -4.686 -2.364 0.000) 5.248 7.219 ( 4.838 -6.495 0.000) 8.099 7.242 ( -4.350 -6.881 0.000) 8.141 8.576 ( -0.545 1.425 -0.000) 1.526 8.586 ( 0.460 0.386 -0.000) 0.601 10.299 ( 3.498 17.741 -0.000) 18.083 10.457 ( -5.828 6.944 -0.000) 9.066 11.429 ( 4.655 -3.115 0.000) 5.601 11.553 ( -0.786 -8.738 0.000) 8.774 11.872 ( -1.645 6.179 -0.000) 6.395 11.996 ( 0.333 -7.726 0.000) 7.734 12.652 ( -1.429 -1.180 0.000) 1.854 12.669 ( 1.215 -2.197 0.000) 2.511 14.536 ( 1.551 10.824 -0.000) 10.935 14.626 ( -1.564 2.405 -0.000) 2.869 21.921 ( -5.229 10.806 -0.000) 12.005 22.030 ( 7.116 2.711 -0.000) 7.615 22.390 ( -1.554 1.516 -0.000) 2.171 22.409 ( 1.449 -0.026 -0.000) 1.450 23.250 ( -5.510 2.820 -0.000) 6.190 23.475 ( 2.721 -16.184 0.000) 16.412 23.902 ( -4.265 0.630 0.000) 4.312 23.935 ( 5.290 -3.420 0.000) 6.299 ======================= Grid point 460 (131/131) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 0.000 -0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 -0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 -0.000 0.000) 0.000 4.168 ( 0.000 -0.000 0.000) 0.000 4.492 ( 0.000 -0.000 0.000) 0.000 4.492 ( -0.000 0.000 0.000) 0.000 5.092 ( 0.000 -0.000 0.000) 0.000 5.092 ( -0.000 -0.000 0.000) 0.000 5.112 ( 0.000 -0.000 0.000) 0.000 5.112 ( 0.000 -0.000 0.000) 0.000 6.812 ( 0.000 -0.000 0.000) 0.000 6.812 ( 0.000 -0.000 0.000) 0.000 7.151 ( 0.000 -0.000 0.000) 0.000 7.151 ( 0.000 -0.000 0.000) 0.000 8.589 ( 0.000 -0.000 0.000) 0.000 8.589 ( 0.000 -0.000 0.000) 0.000 10.527 ( 0.000 -0.000 0.000) 0.000 10.527 ( 0.000 -0.000 0.000) 0.000 11.398 ( -0.000 -0.000 0.000) 0.000 11.398 ( 0.000 -0.000 0.000) 0.000 11.938 ( 0.000 -0.000 0.000) 0.000 11.938 ( 0.000 -0.000 0.000) 0.000 12.642 ( 0.000 -0.000 0.000) 0.000 12.642 ( 0.000 -0.000 0.000) 0.000 14.648 ( 0.000 -0.000 0.000) 0.000 14.648 ( 0.000 -0.000 0.000) 0.000 22.054 ( -0.000 -0.000 0.000) 0.000 22.054 ( -0.000 -0.000 0.000) 0.000 22.409 ( -0.000 -0.000 0.000) 0.000 22.409 ( -0.000 -0.000 0.000) 0.000 23.278 ( -0.000 -0.000 0.000) 0.000 23.278 ( 0.000 -0.000 0.000) 0.000 23.908 ( 0.000 -0.000 0.000) 0.000 23.908 ( -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 3/28800 10.0 7853.732 7853.732 3832.915 -0.000 0.000 0.000 3/28800 20.0 1336.492 1336.492 873.811 -0.000 0.000 0.000 3/28800 30.0 400.537 400.537 276.135 -0.000 0.000 0.000 3/28800 40.0 187.902 187.902 129.811 -0.000 0.000 0.000 3/28800 50.0 112.635 112.635 77.922 -0.000 0.000 0.000 3/28800 60.0 77.586 77.586 53.853 -0.000 0.000 0.000 3/28800 70.0 58.192 58.192 40.531 -0.000 0.000 0.000 3/28800 80.0 46.164 46.164 32.249 -0.000 0.000 0.000 3/28800 90.0 38.089 38.089 26.673 -0.000 0.000 0.000 3/28800 100.0 32.347 32.347 22.698 -0.000 0.000 0.000 3/28800 110.0 28.080 28.080 19.740 -0.000 0.000 0.000 3/28800 120.0 24.800 24.800 17.462 -0.000 0.000 0.000 3/28800 130.0 22.206 22.206 15.659 -0.000 0.000 0.000 3/28800 140.0 20.109 20.109 14.198 -0.000 0.000 0.000 3/28800 150.0 18.380 18.380 12.993 -0.000 0.000 0.000 3/28800 160.0 16.931 16.931 11.981 -0.000 0.000 0.000 3/28800 170.0 15.700 15.700 11.120 -0.000 0.000 0.000 3/28800 180.0 14.640 14.640 10.379 -0.000 0.000 0.000 3/28800 190.0 13.720 13.720 9.733 -0.000 0.000 0.000 3/28800 200.0 12.912 12.912 9.167 -0.000 0.000 0.000 3/28800 210.0 12.198 12.198 8.665 -0.000 0.000 0.000 3/28800 220.0 11.561 11.561 8.217 -0.000 0.000 0.000 3/28800 230.0 10.990 10.990 7.815 -0.000 0.000 0.000 3/28800 240.0 10.475 10.475 7.452 -0.000 0.000 0.000 3/28800 250.0 10.008 10.008 7.123 -0.000 0.000 0.000 3/28800 260.0 9.583 9.583 6.823 -0.000 0.000 0.000 3/28800 270.0 9.193 9.193 6.548 -0.000 0.000 0.000 3/28800 280.0 8.835 8.835 6.295 -0.000 0.000 0.000 3/28800 290.0 8.505 8.505 6.061 -0.000 0.000 0.000 3/28800 300.0 8.200 8.200 5.845 -0.000 0.000 0.000 3/28800 310.0 7.917 7.917 5.645 -0.000 0.000 0.000 3/28800 320.0 7.653 7.653 5.458 -0.000 0.000 0.000 3/28800 330.0 7.407 7.407 5.283 -0.000 0.000 0.000 3/28800 340.0 7.176 7.176 5.120 -0.000 0.000 0.000 3/28800 350.0 6.960 6.960 4.966 -0.000 0.000 0.000 3/28800 360.0 6.757 6.757 4.822 -0.000 0.000 0.000 3/28800 370.0 6.566 6.566 4.687 -0.000 0.000 0.000 3/28800 380.0 6.386 6.386 4.558 -0.000 0.000 0.000 3/28800 390.0 6.215 6.215 4.437 -0.000 0.000 0.000 3/28800 400.0 6.054 6.054 4.323 -0.000 0.000 0.000 3/28800 410.0 5.901 5.901 4.214 -0.000 0.000 0.000 3/28800 420.0 5.755 5.755 4.111 -0.000 0.000 0.000 3/28800 430.0 5.617 5.617 4.012 -0.000 0.000 0.000 3/28800 440.0 5.486 5.486 3.919 -0.000 0.000 0.000 3/28800 450.0 5.360 5.360 3.829 -0.000 0.000 0.000 3/28800 460.0 5.241 5.241 3.744 -0.000 0.000 0.000 3/28800 470.0 5.126 5.126 3.663 -0.000 0.000 0.000 3/28800 480.0 5.017 5.017 3.585 -0.000 0.000 0.000 3/28800 490.0 4.912 4.912 3.510 -0.000 0.000 0.000 3/28800 500.0 4.812 4.812 3.439 -0.000 0.000 0.000 3/28800 510.0 4.715 4.715 3.370 -0.000 0.000 0.000 3/28800 520.0 4.623 4.623 3.304 -0.000 0.000 0.000 3/28800 530.0 4.534 4.534 3.241 -0.000 0.000 0.000 3/28800 540.0 4.449 4.449 3.180 -0.000 0.000 0.000 3/28800 550.0 4.366 4.366 3.121 -0.000 0.000 0.000 3/28800 560.0 4.287 4.287 3.065 -0.000 0.000 0.000 3/28800 570.0 4.211 4.211 3.010 -0.000 0.000 0.000 3/28800 580.0 4.137 4.137 2.958 -0.000 0.000 0.000 3/28800 590.0 4.066 4.066 2.907 -0.000 0.000 0.000 3/28800 600.0 3.997 3.997 2.858 -0.000 0.000 0.000 3/28800 610.0 3.931 3.931 2.811 -0.000 0.000 0.000 3/28800 620.0 3.867 3.867 2.765 -0.000 0.000 0.000 3/28800 630.0 3.804 3.804 2.721 -0.000 0.000 0.000 3/28800 640.0 3.744 3.744 2.678 -0.000 0.000 0.000 3/28800 650.0 3.686 3.686 2.636 -0.000 0.000 0.000 3/28800 660.0 3.630 3.630 2.596 -0.000 0.000 0.000 3/28800 670.0 3.575 3.575 2.557 -0.000 0.000 0.000 3/28800 680.0 3.522 3.522 2.519 -0.000 0.000 0.000 3/28800 690.0 3.470 3.470 2.482 -0.000 0.000 0.000 3/28800 700.0 3.420 3.420 2.446 -0.000 0.000 0.000 3/28800 710.0 3.372 3.372 2.412 -0.000 0.000 0.000 3/28800 720.0 3.324 3.324 2.378 -0.000 0.000 0.000 3/28800 730.0 3.279 3.279 2.345 -0.000 0.000 0.000 3/28800 740.0 3.234 3.234 2.313 -0.000 0.000 0.000 3/28800 750.0 3.190 3.190 2.282 -0.000 0.000 0.000 3/28800 760.0 3.148 3.148 2.252 -0.000 0.000 0.000 3/28800 770.0 3.107 3.107 2.223 -0.000 0.000 0.000 3/28800 780.0 3.067 3.067 2.194 -0.000 0.000 0.000 3/28800 790.0 3.028 3.028 2.166 -0.000 0.000 0.000 3/28800 800.0 2.990 2.990 2.139 -0.000 0.000 0.000 3/28800 810.0 2.953 2.953 2.112 -0.000 0.000 0.000 3/28800 820.0 2.916 2.916 2.086 -0.000 0.000 0.000 3/28800 830.0 2.881 2.881 2.061 -0.000 0.000 0.000 3/28800 840.0 2.846 2.846 2.037 -0.000 0.000 0.000 3/28800 850.0 2.813 2.813 2.012 -0.000 0.000 0.000 3/28800 860.0 2.780 2.780 1.989 -0.000 0.000 0.000 3/28800 870.0 2.748 2.748 1.966 -0.000 0.000 0.000 3/28800 880.0 2.716 2.716 1.944 -0.000 0.000 0.000 3/28800 890.0 2.686 2.686 1.922 -0.000 0.000 0.000 3/28800 900.0 2.656 2.656 1.900 -0.000 0.000 0.000 3/28800 910.0 2.626 2.626 1.879 -0.000 0.000 0.000 3/28800 920.0 2.598 2.598 1.859 -0.000 0.000 0.000 3/28800 930.0 2.570 2.570 1.839 -0.000 0.000 0.000 3/28800 940.0 2.542 2.542 1.819 -0.000 0.000 0.000 3/28800 950.0 2.515 2.515 1.800 -0.000 0.000 0.000 3/28800 960.0 2.489 2.489 1.781 -0.000 0.000 0.000 3/28800 970.0 2.463 2.463 1.763 -0.000 0.000 0.000 3/28800 980.0 2.438 2.438 1.745 -0.000 0.000 0.000 3/28800 990.0 2.413 2.413 1.727 -0.000 0.000 0.000 3/28800 1000.0 2.389 2.389 1.710 -0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m21040.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:19:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|