----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:29:03]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.693431834399266 1.555053594634320 5.073186766666661 b -2.693431834399260 1.555053594634320 5.073186766666661 c 0.000000000000003 -3.110107189268645 5.073186766666661 Atomic positions (fractional): *1 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 *2 F 0.09461465119012 0.38725854621138 0.75868492727268 18.998 3 F 0.38725854621137 0.75868492727268 0.09461465119012 18.998 4 F 0.75868492727268 0.09461465119012 0.38725854621137 18.998 5 F 0.24131507272732 0.90538534880988 0.61274145378863 18.998 6 F 0.61274145378863 0.24131507272733 0.90538534880988 18.998 7 F 0.90538534880988 0.61274145378863 0.24131507272732 18.998 *8 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.386863668798526 0.000000000000000 0.000000000000000 b -2.693431834399263 4.665160783902966 0.000000000000000 c 0.000000000000000 0.000000000000000 15.219560299999998 Atomic positions (fractional): *1 Cd 0.66666666666667 0.33333333333333 0.83333333333333 112.411 > 1 2 Cd 0.33333333333333 0.66666666666667 0.16666666666667 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 *4 F 0.34776194296540 0.98816778095205 0.74685270822472 18.998 > 2 5 F 0.64040583798665 0.65223805703460 0.74685270822472 18.998 > 3 6 F 0.01183221904795 0.35959416201335 0.74685270822472 18.998 > 4 7 F 0.32150111428538 0.30707250465332 0.91981395844194 18.998 > 5 8 F 0.69292749534668 0.01442860963206 0.91981395844194 18.998 > 6 9 F 0.98557139036794 0.67849888571462 0.91981395844194 18.998 > 7 10 F 0.01442860963206 0.32150111428538 0.08018604155806 18.998 > 2 11 F 0.30707250465332 0.98557139036794 0.08018604155806 18.998 > 3 12 F 0.67849888571462 0.69292749534668 0.08018604155806 18.998 > 4 13 F 0.98816778095205 0.64040583798665 0.25314729177528 18.998 > 5 14 F 0.35959416201335 0.34776194296540 0.25314729177528 18.998 > 6 15 F 0.65223805703460 0.01183221904795 0.25314729177528 18.998 > 7 16 F 0.68109527629873 0.65483444761871 0.41351937489139 18.998 > 2 17 F 0.97373917131998 0.31890472370127 0.41351937489139 18.998 > 3 18 F 0.34516555238129 0.02626082868002 0.41351937489139 18.998 > 4 19 F 0.65483444761871 0.97373917131998 0.58648062510861 18.998 > 5 20 F 0.02626082868002 0.68109527629873 0.58648062510861 18.998 > 6 21 F 0.31890472370127 0.34516555238129 0.58648062510861 18.998 > 7 *22 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 8 23 Pb 0.66666666666667 0.33333333333333 0.33333333333333 207.200 > 8 24 Pb 0.33333333333333 0.66666666666667 0.66666666666667 207.200 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.773727337597052 0.000000000000000 0.000000000000000 b -5.386863668798526 9.330321567805932 0.000000000000000 c 0.000000000000000 0.000000000000000 15.219560299999998 Atomic positions (fractional): *1 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 1 2 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 1 3 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 1 4 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 1 5 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 1 6 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 1 7 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 1 8 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 1 9 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 10 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 11 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 1 *13 F 0.17388097148270 0.49408389047602 0.74685270822472 18.998 > 2 14 F 0.67388097148270 0.49408389047602 0.74685270822472 18.998 > 2 15 F 0.17388097148270 0.99408389047602 0.74685270822472 18.998 > 2 16 F 0.67388097148270 0.99408389047602 0.74685270822472 18.998 > 2 17 F 0.32020291899333 0.32611902851730 0.74685270822472 18.998 > 3 18 F 0.82020291899333 0.32611902851730 0.74685270822472 18.998 > 3 19 F 0.32020291899333 0.82611902851730 0.74685270822472 18.998 > 3 20 F 0.82020291899333 0.82611902851730 0.74685270822472 18.998 > 3 21 F 0.00591610952398 0.17979708100667 0.74685270822472 18.998 > 4 22 F 0.50591610952398 0.17979708100667 0.74685270822472 18.998 > 4 23 F 0.00591610952398 0.67979708100667 0.74685270822472 18.998 > 4 24 F 0.50591610952398 0.67979708100667 0.74685270822472 18.998 > 4 25 F 0.16075055714269 0.15353625232666 0.91981395844194 18.998 > 5 26 F 0.66075055714269 0.15353625232666 0.91981395844194 18.998 > 5 27 F 0.16075055714269 0.65353625232666 0.91981395844194 18.998 > 5 28 F 0.66075055714269 0.65353625232666 0.91981395844194 18.998 > 5 29 F 0.34646374767334 0.00721430481603 0.91981395844194 18.998 > 6 30 F 0.84646374767334 0.00721430481603 0.91981395844194 18.998 > 6 31 F 0.34646374767334 0.50721430481603 0.91981395844194 18.998 > 6 32 F 0.84646374767334 0.50721430481603 0.91981395844194 18.998 > 6 33 F 0.49278569518397 0.33924944285731 0.91981395844194 18.998 > 7 34 F 0.99278569518397 0.33924944285731 0.91981395844194 18.998 > 7 35 F 0.49278569518397 0.83924944285731 0.91981395844194 18.998 > 7 36 F 0.99278569518397 0.83924944285731 0.91981395844194 18.998 > 7 37 F 0.00721430481603 0.16075055714269 0.08018604155806 18.998 > 2 38 F 0.50721430481603 0.16075055714269 0.08018604155806 18.998 > 2 39 F 0.00721430481603 0.66075055714269 0.08018604155806 18.998 > 2 40 F 0.50721430481603 0.66075055714269 0.08018604155806 18.998 > 2 41 F 0.15353625232666 0.49278569518397 0.08018604155806 18.998 > 3 42 F 0.65353625232666 0.49278569518397 0.08018604155806 18.998 > 3 43 F 0.15353625232666 0.99278569518397 0.08018604155806 18.998 > 3 44 F 0.65353625232666 0.99278569518397 0.08018604155806 18.998 > 3 45 F 0.33924944285731 0.34646374767334 0.08018604155806 18.998 > 4 46 F 0.83924944285731 0.34646374767334 0.08018604155806 18.998 > 4 47 F 0.33924944285731 0.84646374767334 0.08018604155806 18.998 > 4 48 F 0.83924944285731 0.84646374767334 0.08018604155806 18.998 > 4 49 F 0.49408389047602 0.32020291899333 0.25314729177528 18.998 > 5 50 F 0.99408389047602 0.32020291899333 0.25314729177528 18.998 > 5 51 F 0.49408389047602 0.82020291899333 0.25314729177528 18.998 > 5 52 F 0.99408389047602 0.82020291899333 0.25314729177528 18.998 > 5 53 F 0.17979708100667 0.17388097148270 0.25314729177528 18.998 > 6 54 F 0.67979708100667 0.17388097148270 0.25314729177528 18.998 > 6 55 F 0.17979708100667 0.67388097148270 0.25314729177528 18.998 > 6 56 F 0.67979708100667 0.67388097148270 0.25314729177528 18.998 > 6 57 F 0.32611902851730 0.00591610952398 0.25314729177528 18.998 > 7 58 F 0.82611902851730 0.00591610952398 0.25314729177528 18.998 > 7 59 F 0.32611902851730 0.50591610952398 0.25314729177528 18.998 > 7 60 F 0.82611902851730 0.50591610952398 0.25314729177528 18.998 > 7 61 F 0.34054763814936 0.32741722380936 0.41351937489139 18.998 > 2 62 F 0.84054763814936 0.32741722380936 0.41351937489139 18.998 > 2 63 F 0.34054763814936 0.82741722380936 0.41351937489139 18.998 > 2 64 F 0.84054763814936 0.82741722380936 0.41351937489139 18.998 > 2 65 F 0.48686958565999 0.15945236185063 0.41351937489139 18.998 > 3 66 F 0.98686958565999 0.15945236185063 0.41351937489139 18.998 > 3 67 F 0.48686958565999 0.65945236185063 0.41351937489139 18.998 > 3 68 F 0.98686958565999 0.65945236185063 0.41351937489139 18.998 > 3 69 F 0.17258277619064 0.01313041434001 0.41351937489139 18.998 > 4 70 F 0.67258277619064 0.01313041434001 0.41351937489139 18.998 > 4 71 F 0.17258277619064 0.51313041434001 0.41351937489139 18.998 > 4 72 F 0.67258277619064 0.51313041434001 0.41351937489139 18.998 > 4 73 F 0.32741722380936 0.48686958565999 0.58648062510861 18.998 > 5 74 F 0.82741722380936 0.48686958565999 0.58648062510861 18.998 > 5 75 F 0.32741722380936 0.98686958565999 0.58648062510861 18.998 > 5 76 F 0.82741722380936 0.98686958565999 0.58648062510861 18.998 > 5 77 F 0.01313041434001 0.34054763814936 0.58648062510861 18.998 > 6 78 F 0.51313041434001 0.34054763814936 0.58648062510861 18.998 > 6 79 F 0.01313041434001 0.84054763814936 0.58648062510861 18.998 > 6 80 F 0.51313041434001 0.84054763814936 0.58648062510861 18.998 > 6 81 F 0.15945236185063 0.17258277619064 0.58648062510861 18.998 > 7 82 F 0.65945236185063 0.17258277619064 0.58648062510861 18.998 > 7 83 F 0.15945236185063 0.67258277619064 0.58648062510861 18.998 > 7 84 F 0.65945236185063 0.67258277619064 0.58648062510861 18.998 > 7 *85 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 8 86 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 8 87 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 8 88 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 8 89 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 8 90 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 8 91 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 8 92 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 8 93 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 8 94 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 8 95 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 8 96 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6862217 0.0000001 0.0000000 -0.0000001 2.6862217 0.0000000 0.0000000 0.0000000 2.8047002 -------------------------- Born effective charges -------------------------- 1 Cd 2.4354046 -0.3392620 0.0000000 0.3392620 2.4354046 0.0000000 0.0000000 0.0000000 2.7463149 2 F -0.7155888 0.0630026 0.0606473 0.0880633 -1.3123582 -0.5555161 0.0594419 -0.5348372 -1.0806686 3 F -1.2285793 0.2081119 -0.5114147 0.2331726 -0.7993677 0.2252359 -0.4929035 0.2159404 -1.0806686 4 F -1.0977524 -0.3087055 0.4507674 -0.2836449 -0.9301946 0.3302801 0.4334616 0.3188968 -1.0806686 5 F -1.0977524 -0.3087055 0.4507674 -0.2836449 -0.9301946 0.3302801 0.4334616 0.3188968 -1.0806686 6 F -1.2285793 0.2081119 -0.5114147 0.2331726 -0.7993677 0.2252359 -0.4929035 0.2159404 -1.0806686 7 F -0.7155888 0.0630026 0.0606473 0.0880633 -1.3123582 -0.5555161 0.0594419 -0.5348372 -1.0806686 8 Pb 3.6484364 0.4144440 0.0000000 -0.4144440 3.6484364 0.0000000 0.0000000 0.0000000 3.7376966 ---------------------------------------------------------------------------- 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: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 160 - Time: 0.471 Solver_block: 160 / 160 - Time: 0.365 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.978 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:29:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:29:14]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.693431834399266 1.555053594634320 5.073186766666661 b -2.693431834399260 1.555053594634320 5.073186766666661 c 0.000000000000003 -3.110107189268645 5.073186766666661 Atomic positions (fractional): 1 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 2 F 0.09461465119012 0.38725854621138 0.75868492727268 18.998 3 F 0.38725854621137 0.75868492727268 0.09461465119012 18.998 4 F 0.75868492727268 0.09461465119012 0.38725854621137 18.998 5 F 0.24131507272732 0.90538534880988 0.61274145378863 18.998 6 F 0.61274145378863 0.24131507272733 0.90538534880988 18.998 7 F 0.90538534880988 0.61274145378863 0.24131507272732 18.998 8 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.773727337597052 0.000000000000000 0.000000000000000 b -5.386863668798526 9.330321567805932 0.000000000000000 c 0.000000000000000 0.000000000000000 15.219560299999998 Atomic positions (fractional): 1 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 1 2 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 1 3 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 1 4 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 1 5 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 1 6 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 1 7 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 1 8 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 1 9 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 10 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 11 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 F 0.17388097148270 0.49408389047602 0.74685270822472 18.998 > 13 14 F 0.67388097148270 0.49408389047602 0.74685270822472 18.998 > 13 15 F 0.17388097148270 0.99408389047602 0.74685270822472 18.998 > 13 16 F 0.67388097148270 0.99408389047602 0.74685270822472 18.998 > 13 17 F 0.32020291899333 0.32611902851730 0.74685270822472 18.998 > 17 18 F 0.82020291899333 0.32611902851730 0.74685270822472 18.998 > 17 19 F 0.32020291899333 0.82611902851730 0.74685270822472 18.998 > 17 20 F 0.82020291899333 0.82611902851730 0.74685270822472 18.998 > 17 21 F 0.00591610952398 0.17979708100667 0.74685270822472 18.998 > 21 22 F 0.50591610952398 0.17979708100667 0.74685270822472 18.998 > 21 23 F 0.00591610952398 0.67979708100667 0.74685270822472 18.998 > 21 24 F 0.50591610952398 0.67979708100667 0.74685270822472 18.998 > 21 25 F 0.16075055714269 0.15353625232666 0.91981395844194 18.998 > 25 26 F 0.66075055714269 0.15353625232666 0.91981395844194 18.998 > 25 27 F 0.16075055714269 0.65353625232666 0.91981395844194 18.998 > 25 28 F 0.66075055714269 0.65353625232666 0.91981395844194 18.998 > 25 29 F 0.34646374767334 0.00721430481603 0.91981395844194 18.998 > 29 30 F 0.84646374767334 0.00721430481603 0.91981395844194 18.998 > 29 31 F 0.34646374767334 0.50721430481603 0.91981395844194 18.998 > 29 32 F 0.84646374767334 0.50721430481603 0.91981395844194 18.998 > 29 33 F 0.49278569518397 0.33924944285731 0.91981395844194 18.998 > 33 34 F 0.99278569518397 0.33924944285731 0.91981395844194 18.998 > 33 35 F 0.49278569518397 0.83924944285731 0.91981395844194 18.998 > 33 36 F 0.99278569518397 0.83924944285731 0.91981395844194 18.998 > 33 37 F 0.00721430481603 0.16075055714269 0.08018604155806 18.998 > 13 38 F 0.50721430481603 0.16075055714269 0.08018604155806 18.998 > 13 39 F 0.00721430481603 0.66075055714269 0.08018604155806 18.998 > 13 40 F 0.50721430481603 0.66075055714269 0.08018604155806 18.998 > 13 41 F 0.15353625232666 0.49278569518397 0.08018604155806 18.998 > 17 42 F 0.65353625232666 0.49278569518397 0.08018604155806 18.998 > 17 43 F 0.15353625232666 0.99278569518397 0.08018604155806 18.998 > 17 44 F 0.65353625232666 0.99278569518397 0.08018604155806 18.998 > 17 45 F 0.33924944285731 0.34646374767334 0.08018604155806 18.998 > 21 46 F 0.83924944285731 0.34646374767334 0.08018604155806 18.998 > 21 47 F 0.33924944285731 0.84646374767334 0.08018604155806 18.998 > 21 48 F 0.83924944285731 0.84646374767334 0.08018604155806 18.998 > 21 49 F 0.49408389047602 0.32020291899333 0.25314729177528 18.998 > 25 50 F 0.99408389047602 0.32020291899333 0.25314729177528 18.998 > 25 51 F 0.49408389047602 0.82020291899333 0.25314729177528 18.998 > 25 52 F 0.99408389047602 0.82020291899333 0.25314729177528 18.998 > 25 53 F 0.17979708100667 0.17388097148270 0.25314729177528 18.998 > 29 54 F 0.67979708100667 0.17388097148270 0.25314729177528 18.998 > 29 55 F 0.17979708100667 0.67388097148270 0.25314729177528 18.998 > 29 56 F 0.67979708100667 0.67388097148270 0.25314729177528 18.998 > 29 57 F 0.32611902851730 0.00591610952398 0.25314729177528 18.998 > 33 58 F 0.82611902851730 0.00591610952398 0.25314729177528 18.998 > 33 59 F 0.32611902851730 0.50591610952398 0.25314729177528 18.998 > 33 60 F 0.82611902851730 0.50591610952398 0.25314729177528 18.998 > 33 61 F 0.34054763814936 0.32741722380936 0.41351937489139 18.998 > 13 62 F 0.84054763814936 0.32741722380936 0.41351937489139 18.998 > 13 63 F 0.34054763814936 0.82741722380936 0.41351937489139 18.998 > 13 64 F 0.84054763814936 0.82741722380936 0.41351937489139 18.998 > 13 65 F 0.48686958565999 0.15945236185063 0.41351937489139 18.998 > 17 66 F 0.98686958565999 0.15945236185063 0.41351937489139 18.998 > 17 67 F 0.48686958565999 0.65945236185063 0.41351937489139 18.998 > 17 68 F 0.98686958565999 0.65945236185063 0.41351937489139 18.998 > 17 69 F 0.17258277619064 0.01313041434001 0.41351937489139 18.998 > 21 70 F 0.67258277619064 0.01313041434001 0.41351937489139 18.998 > 21 71 F 0.17258277619064 0.51313041434001 0.41351937489139 18.998 > 21 72 F 0.67258277619064 0.51313041434001 0.41351937489139 18.998 > 21 73 F 0.32741722380936 0.48686958565999 0.58648062510861 18.998 > 25 74 F 0.82741722380936 0.48686958565999 0.58648062510861 18.998 > 25 75 F 0.32741722380936 0.98686958565999 0.58648062510861 18.998 > 25 76 F 0.82741722380936 0.98686958565999 0.58648062510861 18.998 > 25 77 F 0.01313041434001 0.34054763814936 0.58648062510861 18.998 > 29 78 F 0.51313041434001 0.34054763814936 0.58648062510861 18.998 > 29 79 F 0.01313041434001 0.84054763814936 0.58648062510861 18.998 > 29 80 F 0.51313041434001 0.84054763814936 0.58648062510861 18.998 > 29 81 F 0.15945236185063 0.17258277619064 0.58648062510861 18.998 > 33 82 F 0.65945236185063 0.17258277619064 0.58648062510861 18.998 > 33 83 F 0.15945236185063 0.67258277619064 0.58648062510861 18.998 > 33 84 F 0.65945236185063 0.67258277619064 0.58648062510861 18.998 > 33 85 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 85 86 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 85 87 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 85 88 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 85 89 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 85 90 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 85 91 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 85 92 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 85 93 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 85 94 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 85 95 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 85 96 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6862217 0.0000001 0.0000000 -0.0000001 2.6862217 0.0000000 0.0000000 0.0000000 2.8047002 -------------------------- Born effective charges -------------------------- 1 Cd 2.4354046 -0.3392620 0.0000000 0.3392620 2.4354046 0.0000000 0.0000000 0.0000000 2.7463149 2 F -0.7155888 0.0630026 0.0606473 0.0880633 -1.3123582 -0.5555161 0.0594419 -0.5348372 -1.0806686 3 F -1.2285793 0.2081119 -0.5114147 0.2331726 -0.7993677 0.2252359 -0.4929035 0.2159404 -1.0806686 4 F -1.0977524 -0.3087055 0.4507674 -0.2836449 -0.9301946 0.3302801 0.4334616 0.3188968 -1.0806686 5 F -1.0977524 -0.3087055 0.4507674 -0.2836449 -0.9301946 0.3302801 0.4334616 0.3188968 -1.0806686 6 F -1.2285793 0.2081119 -0.5114147 0.2331726 -0.7993677 0.2252359 -0.4929035 0.2159404 -1.0806686 7 F -0.7155888 0.0630026 0.0606473 0.0880633 -1.3123582 -0.5555161 0.0594419 -0.5348372 -1.0806686 8 Pb 3.6484364 0.4144440 0.0000000 -0.4144440 3.6484364 0.0000000 0.0000000 0.0000000 3.7376966 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyz) -0.00000002 (yyz) -0.00000002 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000008 (xy) 0.00000008 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:29:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:29:22]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.693431834399266 1.555053594634320 5.073186766666661 b -2.693431834399260 1.555053594634320 5.073186766666661 c 0.000000000000003 -3.110107189268645 5.073186766666661 Atomic positions (fractional): 1 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 2 F 0.09461465119012 0.38725854621138 0.75868492727268 18.998 3 F 0.38725854621137 0.75868492727268 0.09461465119012 18.998 4 F 0.75868492727268 0.09461465119012 0.38725854621137 18.998 5 F 0.24131507272732 0.90538534880988 0.61274145378863 18.998 6 F 0.61274145378863 0.24131507272733 0.90538534880988 18.998 7 F 0.90538534880988 0.61274145378863 0.24131507272732 18.998 8 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.773727337597052 0.000000000000000 0.000000000000000 b -5.386863668798526 9.330321567805932 0.000000000000000 c 0.000000000000000 0.000000000000000 15.219560299999998 Atomic positions (fractional): 1 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 1 2 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 1 3 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 1 4 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 1 5 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 1 6 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 1 7 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 1 8 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 1 9 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 10 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 11 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 F 0.17388097148270 0.49408389047602 0.74685270822472 18.998 > 13 14 F 0.67388097148270 0.49408389047602 0.74685270822472 18.998 > 13 15 F 0.17388097148270 0.99408389047602 0.74685270822472 18.998 > 13 16 F 0.67388097148270 0.99408389047602 0.74685270822472 18.998 > 13 17 F 0.32020291899333 0.32611902851730 0.74685270822472 18.998 > 17 18 F 0.82020291899333 0.32611902851730 0.74685270822472 18.998 > 17 19 F 0.32020291899333 0.82611902851730 0.74685270822472 18.998 > 17 20 F 0.82020291899333 0.82611902851730 0.74685270822472 18.998 > 17 21 F 0.00591610952398 0.17979708100667 0.74685270822472 18.998 > 21 22 F 0.50591610952398 0.17979708100667 0.74685270822472 18.998 > 21 23 F 0.00591610952398 0.67979708100667 0.74685270822472 18.998 > 21 24 F 0.50591610952398 0.67979708100667 0.74685270822472 18.998 > 21 25 F 0.16075055714269 0.15353625232666 0.91981395844194 18.998 > 25 26 F 0.66075055714269 0.15353625232666 0.91981395844194 18.998 > 25 27 F 0.16075055714269 0.65353625232666 0.91981395844194 18.998 > 25 28 F 0.66075055714269 0.65353625232666 0.91981395844194 18.998 > 25 29 F 0.34646374767334 0.00721430481603 0.91981395844194 18.998 > 29 30 F 0.84646374767334 0.00721430481603 0.91981395844194 18.998 > 29 31 F 0.34646374767334 0.50721430481603 0.91981395844194 18.998 > 29 32 F 0.84646374767334 0.50721430481603 0.91981395844194 18.998 > 29 33 F 0.49278569518397 0.33924944285731 0.91981395844194 18.998 > 33 34 F 0.99278569518397 0.33924944285731 0.91981395844194 18.998 > 33 35 F 0.49278569518397 0.83924944285731 0.91981395844194 18.998 > 33 36 F 0.99278569518397 0.83924944285731 0.91981395844194 18.998 > 33 37 F 0.00721430481603 0.16075055714269 0.08018604155806 18.998 > 13 38 F 0.50721430481603 0.16075055714269 0.08018604155806 18.998 > 13 39 F 0.00721430481603 0.66075055714269 0.08018604155806 18.998 > 13 40 F 0.50721430481603 0.66075055714269 0.08018604155806 18.998 > 13 41 F 0.15353625232666 0.49278569518397 0.08018604155806 18.998 > 17 42 F 0.65353625232666 0.49278569518397 0.08018604155806 18.998 > 17 43 F 0.15353625232666 0.99278569518397 0.08018604155806 18.998 > 17 44 F 0.65353625232666 0.99278569518397 0.08018604155806 18.998 > 17 45 F 0.33924944285731 0.34646374767334 0.08018604155806 18.998 > 21 46 F 0.83924944285731 0.34646374767334 0.08018604155806 18.998 > 21 47 F 0.33924944285731 0.84646374767334 0.08018604155806 18.998 > 21 48 F 0.83924944285731 0.84646374767334 0.08018604155806 18.998 > 21 49 F 0.49408389047602 0.32020291899333 0.25314729177528 18.998 > 25 50 F 0.99408389047602 0.32020291899333 0.25314729177528 18.998 > 25 51 F 0.49408389047602 0.82020291899333 0.25314729177528 18.998 > 25 52 F 0.99408389047602 0.82020291899333 0.25314729177528 18.998 > 25 53 F 0.17979708100667 0.17388097148270 0.25314729177528 18.998 > 29 54 F 0.67979708100667 0.17388097148270 0.25314729177528 18.998 > 29 55 F 0.17979708100667 0.67388097148270 0.25314729177528 18.998 > 29 56 F 0.67979708100667 0.67388097148270 0.25314729177528 18.998 > 29 57 F 0.32611902851730 0.00591610952398 0.25314729177528 18.998 > 33 58 F 0.82611902851730 0.00591610952398 0.25314729177528 18.998 > 33 59 F 0.32611902851730 0.50591610952398 0.25314729177528 18.998 > 33 60 F 0.82611902851730 0.50591610952398 0.25314729177528 18.998 > 33 61 F 0.34054763814936 0.32741722380936 0.41351937489139 18.998 > 13 62 F 0.84054763814936 0.32741722380936 0.41351937489139 18.998 > 13 63 F 0.34054763814936 0.82741722380936 0.41351937489139 18.998 > 13 64 F 0.84054763814936 0.82741722380936 0.41351937489139 18.998 > 13 65 F 0.48686958565999 0.15945236185063 0.41351937489139 18.998 > 17 66 F 0.98686958565999 0.15945236185063 0.41351937489139 18.998 > 17 67 F 0.48686958565999 0.65945236185063 0.41351937489139 18.998 > 17 68 F 0.98686958565999 0.65945236185063 0.41351937489139 18.998 > 17 69 F 0.17258277619064 0.01313041434001 0.41351937489139 18.998 > 21 70 F 0.67258277619064 0.01313041434001 0.41351937489139 18.998 > 21 71 F 0.17258277619064 0.51313041434001 0.41351937489139 18.998 > 21 72 F 0.67258277619064 0.51313041434001 0.41351937489139 18.998 > 21 73 F 0.32741722380936 0.48686958565999 0.58648062510861 18.998 > 25 74 F 0.82741722380936 0.48686958565999 0.58648062510861 18.998 > 25 75 F 0.32741722380936 0.98686958565999 0.58648062510861 18.998 > 25 76 F 0.82741722380936 0.98686958565999 0.58648062510861 18.998 > 25 77 F 0.01313041434001 0.34054763814936 0.58648062510861 18.998 > 29 78 F 0.51313041434001 0.34054763814936 0.58648062510861 18.998 > 29 79 F 0.01313041434001 0.84054763814936 0.58648062510861 18.998 > 29 80 F 0.51313041434001 0.84054763814936 0.58648062510861 18.998 > 29 81 F 0.15945236185063 0.17258277619064 0.58648062510861 18.998 > 33 82 F 0.65945236185063 0.17258277619064 0.58648062510861 18.998 > 33 83 F 0.15945236185063 0.67258277619064 0.58648062510861 18.998 > 33 84 F 0.65945236185063 0.67258277619064 0.58648062510861 18.998 > 33 85 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 85 86 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 85 87 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 85 88 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 85 89 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 85 90 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 85 91 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 85 92 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 85 93 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 85 94 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 85 95 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 85 96 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6862217 0.0000001 0.0000000 -0.0000001 2.6862217 0.0000000 0.0000000 0.0000000 2.8047002 -------------------------- Born effective charges -------------------------- 1 Cd 2.4354046 -0.3392620 0.0000000 0.3392620 2.4354046 0.0000000 0.0000000 0.0000000 2.7463149 2 F -0.7155888 0.0630026 0.0606473 0.0880633 -1.3123582 -0.5555161 0.0594419 -0.5348372 -1.0806686 3 F -1.2285793 0.2081119 -0.5114147 0.2331726 -0.7993677 0.2252359 -0.4929035 0.2159404 -1.0806686 4 F -1.0977524 -0.3087055 0.4507674 -0.2836449 -0.9301946 0.3302801 0.4334616 0.3188968 -1.0806686 5 F -1.0977524 -0.3087055 0.4507674 -0.2836449 -0.9301946 0.3302801 0.4334616 0.3188968 -1.0806686 6 F -1.2285793 0.2081119 -0.5114147 0.2331726 -0.7993677 0.2252359 -0.4929035 0.2159404 -1.0806686 7 F -0.7155888 0.0630026 0.0606473 0.0880633 -1.3123582 -0.5555161 0.0594419 -0.5348372 -1.0806686 8 Pb 3.6484364 0.4144440 0.0000000 -0.4144440 3.6484364 0.0000000 0.0000000 0.0000000 3.7376966 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyz) -0.00000002 (yyz) -0.00000002 (yzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.83, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 14.218 ( 0.000 0.000 0.000) 0.000 14.218 ( 0.000 0.000 0.000) 0.000 14.218 ( 0.000 0.000 0.000) 0.000 15.597 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 18.379 -6.979 18.191) 26.785 0.370 ( 21.655 10.972 -17.066) 29.674 0.478 ( 9.176 18.789 21.039) 29.662 2.587 ( -5.055 -5.659 -4.972) 9.072 2.775 ( -7.775 -2.289 -6.623) 10.467 3.065 ( 3.838 6.185 1.361) 7.405 3.208 ( 4.799 3.245 -0.904) 5.863 3.338 ( 5.022 1.789 4.084) 6.715 3.529 ( -4.318 -2.249 2.981) 5.709 3.888 ( 2.978 -1.005 -11.532) 11.952 4.502 ( -7.294 -3.902 29.867) 30.992 5.427 ( 1.201 0.654 0.905) 1.640 6.296 ( -0.262 -0.032 0.817) 0.859 6.675 ( -4.829 -1.763 -0.180) 5.143 6.757 ( 2.901 0.166 1.175) 3.134 7.340 ( -2.008 0.931 0.443) 2.257 7.540 ( 0.636 0.165 -0.864) 1.086 8.202 ( 4.099 1.187 -17.896) 18.397 11.693 ( 3.826 6.581 -0.163) 7.613 11.696 ( 6.681 -1.054 5.185) 8.522 14.182 ( -3.502 -1.617 0.479) 3.887 14.187 ( -1.207 -2.043 -3.492) 4.222 15.589 ( -0.649 -0.360 -0.180) 0.764 15.842 ( -2.389 -0.267 8.173) 8.519 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 19.465 -6.389 17.335) 26.837 0.740 ( 20.481 11.468 -14.713) 27.703 0.914 ( 7.582 16.955 18.560) 26.257 2.422 ( -3.578 -5.556 -5.844) 8.822 2.601 ( -8.149 -1.744 -0.849) 8.377 3.145 ( -9.116 -4.273 0.505) 10.081 3.170 ( -0.179 7.235 0.808) 7.282 3.450 ( 0.293 -3.328 2.781) 4.347 3.589 ( 10.539 8.902 -1.653) 13.894 3.867 ( 3.030 -4.235 -2.174) 5.643 4.541 ( 0.230 -0.041 10.608) 10.610 5.448 ( -0.253 -0.393 0.820) 0.944 6.287 ( -2.258 -1.060 3.250) 4.097 6.557 ( -5.522 -0.644 -1.944) 5.890 6.841 ( 5.497 -0.187 2.763) 6.155 7.302 ( -4.358 2.029 0.116) 4.809 7.547 ( 0.330 -0.470 0.528) 0.780 8.161 ( 1.569 -1.210 -11.852) 12.016 11.875 ( 7.809 11.101 -1.821) 13.694 11.888 ( 11.277 -1.068 10.878) 15.705 14.077 ( -6.627 -3.167 1.211) 7.444 14.096 ( -2.657 -3.678 -6.894) 8.253 15.568 ( -1.135 -0.577 -0.403) 1.335 15.850 ( -1.503 0.909 4.132) 4.490 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 19.676 -6.175 15.515) 25.807 1.106 ( 18.305 11.889 -11.027) 24.455 1.278 ( 5.742 14.278 14.444) 21.106 2.292 ( -1.853 -4.786 -5.752) 7.709 2.445 ( -8.411 -1.921 0.497) 8.642 2.884 ( -14.277 -5.477 -1.531) 15.368 3.224 ( -2.127 6.937 1.569) 7.424 3.434 ( -0.624 -1.908 0.130) 2.011 3.822 ( 7.532 0.512 4.073) 8.578 3.917 ( 7.978 2.463 -2.313) 8.664 4.636 ( 5.158 1.515 2.989) 6.151 5.404 ( -3.687 -2.440 0.036) 4.421 6.202 ( -7.908 -4.621 6.045) 10.974 6.510 ( 0.350 4.274 -4.028) 5.883 6.966 ( 7.113 -1.151 4.941) 8.737 7.237 ( -5.837 3.158 -0.836) 6.689 7.543 ( -0.726 -1.028 1.552) 1.999 8.090 ( 0.139 -2.502 -10.468) 10.764 12.136 ( 10.799 12.605 -3.730) 17.013 12.172 ( 13.258 0.061 15.156) 20.136 13.917 ( -9.097 -4.221 2.176) 10.262 13.945 ( -4.229 -4.901 -9.966) 11.884 15.538 ( -1.290 -0.614 -0.560) 1.534 15.857 ( -1.191 1.141 2.619) 3.095 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 17.030 -6.185 13.471) 22.577 1.450 ( 14.217 12.144 -5.928) 19.615 1.562 ( 6.226 10.715 7.098) 14.281 2.189 ( -1.299 -4.585 -5.587) 7.343 2.280 ( -8.731 -2.656 0.272) 9.130 2.572 ( -15.441 -4.345 -0.842) 16.062 3.258 ( -1.758 4.783 2.096) 5.510 3.389 ( -1.759 -1.515 -2.272) 3.249 3.935 ( 5.869 -2.903 6.891) 9.506 4.099 ( 6.997 5.714 -2.610) 9.403 4.772 ( 8.183 2.200 -1.823) 8.668 5.283 ( -6.894 -3.648 0.145) 7.801 6.045 ( -8.122 -4.408 4.886) 10.454 6.572 ( 3.047 4.967 -2.908) 6.512 7.082 ( 2.024 -3.749 6.601) 7.857 7.193 ( -0.144 5.565 -1.700) 5.821 7.516 ( -2.534 -1.258 1.480) 3.192 7.999 ( -0.702 -2.755 -8.601) 9.058 12.418 ( 11.001 11.085 -4.343) 16.210 12.496 ( 12.523 1.304 15.907) 20.287 13.725 ( -10.467 -3.299 2.741) 11.312 13.745 ( -4.824 -6.329 -11.555) 14.030 15.509 ( -1.021 -0.471 -0.503) 1.231 15.862 ( -0.824 0.861 1.541) 1.948 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 8.450 -3.589 7.127) 11.622 1.702 ( 2.315 8.023 4.270) 9.379 1.814 ( 14.188 6.770 -7.146) 17.269 2.069 ( -7.845 -4.415 0.637) 9.025 2.125 ( -3.132 -3.885 -0.968) 5.083 2.308 ( -9.849 -1.125 -0.841) 9.949 3.288 ( -0.524 2.772 2.483) 3.758 3.331 ( -1.071 -1.850 -2.773) 3.501 4.041 ( 3.435 -0.401 3.875) 5.194 4.194 ( 1.557 1.724 -1.554) 2.795 4.930 ( 9.127 2.900 -3.557) 10.216 5.119 ( -8.457 -3.471 1.948) 9.347 5.932 ( -3.421 -1.782 1.916) 4.307 6.644 ( 1.922 2.234 -1.170) 3.171 7.050 ( -2.266 -0.958 1.456) 2.859 7.316 ( 6.308 2.771 2.134) 7.213 7.443 ( -4.878 -1.702 -0.431) 5.184 7.928 ( -0.448 -1.299 -3.626) 3.877 12.631 ( 5.540 5.145 -2.275) 7.895 12.764 ( 6.644 1.161 8.936) 11.196 13.550 ( -5.817 -0.136 -5.885) 8.276 13.569 ( -3.289 -5.128 0.244) 6.097 15.491 ( -0.388 -0.178 -0.203) 0.473 15.865 ( -0.299 0.314 0.516) 0.674 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.160 ( -2.864 9.318 -1.218) 9.824 0.204 ( -9.091 3.279 11.709) 15.182 0.762 ( 2.670 23.929 22.209) 32.756 2.669 ( -6.014 -5.393 3.955) 8.994 2.843 ( 6.463 2.059 -12.334) 14.076 2.985 ( 7.793 3.896 -4.110) 9.634 3.009 ( -4.549 2.802 -0.972) 5.430 3.393 ( -0.082 -1.653 2.938) 3.372 3.526 ( 0.104 -6.146 2.562) 6.659 3.877 ( -2.886 8.310 -6.182) 10.752 4.716 ( -0.031 -19.609 32.838) 38.247 5.434 ( -0.019 0.717 1.934) 2.063 6.298 ( 0.335 -1.063 1.237) 1.665 6.666 ( -2.336 -4.591 -1.089) 5.265 6.740 ( 1.972 1.528 -0.430) 2.531 7.325 ( 2.701 -1.808 -1.050) 3.416 7.537 ( -0.488 1.853 -1.274) 2.301 8.106 ( -1.712 13.313 -20.369) 24.394 11.628 ( -0.056 0.037 -0.086) 0.109 11.802 ( -0.664 11.599 9.463) 14.985 14.209 ( -1.118 -0.786 0.005) 1.367 14.216 ( -0.175 0.424 -0.878) 0.990 15.584 ( 0.055 -1.380 -0.778) 1.586 15.834 ( 1.496 -9.954 6.640) 12.058 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 16.156 6.851 -3.338) 17.863 0.423 ( 18.758 0.246 8.507) 20.598 1.159 ( 2.872 20.976 19.950) 29.090 2.460 ( -9.783 -3.288 -2.075) 10.527 2.737 ( -7.819 -0.341 -2.352) 8.172 3.060 ( 5.367 -6.629 3.611) 9.262 3.237 ( 7.220 3.268 -4.890) 9.312 3.404 ( 4.117 5.644 -7.006) 9.894 3.494 ( 3.702 -6.113 5.934) 9.289 3.854 ( -4.423 5.211 -1.419) 6.981 4.654 ( -5.556 -6.241 15.172) 17.321 5.448 ( 0.116 -0.939 1.268) 1.582 6.309 ( 1.440 -2.031 2.601) 3.600 6.566 ( -2.899 -6.391 -1.519) 7.181 6.811 ( 2.788 4.416 1.296) 5.381 7.344 ( 1.198 -2.655 1.087) 3.109 7.540 ( 0.068 0.885 -0.655) 1.103 8.088 ( -1.134 7.031 -13.729) 15.466 11.693 ( 7.707 -0.170 0.109) 7.710 12.014 ( 1.749 15.785 12.629) 20.291 14.107 ( -7.474 -3.084 0.239) 8.089 14.178 ( -3.989 1.334 -2.462) 4.874 15.559 ( 0.076 -2.265 -1.535) 2.737 15.829 ( 3.573 -6.420 2.373) 7.721 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 19.625 2.333 0.338) 19.766 0.815 ( 20.467 3.311 3.590) 21.042 1.492 ( 1.440 17.069 16.566) 23.830 2.277 ( -5.773 -4.003 -3.717) 7.948 2.587 ( -8.511 -0.672 -0.264) 8.542 2.980 ( -6.093 -9.055 -1.296) 10.991 3.272 ( 1.735 -1.610 2.832) 3.691 3.434 ( -0.826 1.719 -2.465) 3.117 3.713 ( 15.750 3.761 -2.720) 16.420 3.838 ( -2.548 4.481 2.656) 5.799 4.624 ( -0.578 -1.245 4.581) 4.782 5.420 ( -1.583 -3.247 -0.085) 3.613 6.326 ( -2.575 -0.968 5.636) 6.272 6.437 ( -0.148 -8.164 -2.949) 8.681 6.935 ( 3.777 6.060 3.488) 7.947 7.317 ( -2.377 -0.862 -0.450) 2.568 7.552 ( 0.751 -0.830 2.296) 2.555 8.036 ( -2.525 4.143 -11.140) 12.151 11.878 ( 14.009 -0.192 -0.040) 14.011 12.304 ( 2.982 17.823 14.604) 23.234 13.927 ( -8.154 -5.305 -1.745) 9.883 14.080 ( -7.552 1.450 -2.131) 7.980 15.526 ( 0.109 -2.492 -1.998) 3.196 15.841 ( 2.885 -4.381 0.523) 5.272 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 20.189 0.478 1.816) 20.276 1.202 ( 18.628 4.410 1.748) 19.223 1.731 ( -0.554 12.270 12.128) 17.261 2.137 ( -2.682 -5.045 -4.520) 7.285 2.428 ( -9.430 -0.659 -0.393) 9.461 2.738 ( -10.917 -7.434 -0.930) 13.241 3.298 ( 1.224 -2.415 3.238) 4.221 3.395 ( -2.460 -0.250 -3.833) 4.561 3.890 ( 2.860 2.594 5.670) 6.860 3.989 ( 10.881 6.082 -2.429) 12.699 4.660 ( 4.594 0.143 -2.431) 5.200 5.334 ( -3.849 -4.224 -0.345) 5.725 6.203 ( -10.425 -1.321 2.746) 10.861 6.445 ( 8.121 -7.722 0.934) 11.245 7.062 ( 2.510 1.039 3.238) 4.227 7.271 ( -3.073 5.616 -1.403) 6.554 7.572 ( -0.528 -0.805 5.363) 5.449 7.957 ( -2.964 2.431 -9.590) 10.328 12.146 ( 17.491 0.169 -0.605) 17.502 12.611 ( 2.371 16.269 14.412) 21.863 13.722 ( -7.532 -5.445 -2.663) 9.668 13.929 ( -10.640 1.435 -1.407) 10.828 15.493 ( 0.329 -2.353 -2.115) 3.181 15.844 ( 2.107 -3.618 -0.658) 4.238 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 17.522 -1.972 5.537) 18.482 1.537 ( 15.698 5.915 -4.469) 17.360 1.813 ( -3.087 -0.412 1.945) 3.672 2.072 ( 0.026 0.972 0.872) 1.306 2.258 ( -9.700 -0.026 0.426) 9.709 2.480 ( -11.994 -4.399 -0.182) 12.777 3.309 ( 0.069 -2.782 1.690) 3.255 3.314 ( -1.481 -2.106 -2.409) 3.525 4.011 ( 3.445 4.476 2.251) 6.080 4.155 ( 4.706 1.336 0.231) 4.898 4.762 ( 9.591 1.873 -5.814) 11.371 5.215 ( -5.674 -3.768 1.043) 6.890 6.040 ( -8.637 0.464 0.269) 8.654 6.518 ( 8.010 -9.088 3.341) 12.566 7.037 ( -0.958 -5.215 -2.353) 5.801 7.346 ( 0.306 10.275 1.954) 10.463 7.565 ( -5.423 2.145 4.528) 7.383 7.895 ( -0.076 1.007 -4.890) 4.993 12.441 ( 16.627 0.669 -0.926) 16.666 12.813 ( -1.887 6.703 7.590) 10.300 13.584 ( -4.045 1.944 1.086) 4.617 13.741 ( -12.006 0.924 0.153) 12.042 15.469 ( 0.872 -2.030 -1.914) 2.923 15.835 ( 1.779 -3.523 -1.647) 4.276 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -0.755 -9.496 -6.552) 11.561 1.713 ( 4.230 -1.128 -0.423) 4.398 1.856 ( 12.824 4.925 -4.969) 14.609 2.023 ( -7.892 -4.634 4.738) 10.306 2.216 ( -1.891 8.809 5.433) 10.522 2.274 ( -6.011 -1.690 0.082) 6.244 3.228 ( -0.538 -4.921 -3.592) 6.116 3.333 ( 1.567 -1.322 3.413) 3.981 4.068 ( -0.972 3.256 -5.450) 6.422 4.201 ( 0.444 -1.373 3.452) 3.741 4.935 ( 9.935 3.162 -5.296) 11.694 5.089 ( -5.808 -3.020 3.411) 7.382 5.947 ( -3.436 3.892 -2.821) 5.908 6.553 ( 4.834 -12.364 4.995) 14.184 6.976 ( 2.051 -3.258 -3.636) 5.295 7.448 ( 0.703 4.955 2.646) 5.661 7.469 ( -10.336 4.936 -1.916) 11.613 7.936 ( 3.008 2.509 3.190) 5.052 12.641 ( 1.706 -3.805 3.304) 5.320 12.761 ( -1.308 -0.705 -8.422) 8.552 13.560 ( -6.949 1.135 -0.284) 7.047 13.682 ( 0.054 11.014 10.908) 15.501 15.462 ( 1.636 -1.665 -1.498) 2.773 15.818 ( 1.851 -3.683 -2.419) 4.779 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -4.016 -15.524 -12.025) 20.043 1.641 ( -10.842 5.502 -10.863) 16.304 1.777 ( -15.602 -7.672 10.201) 20.158 2.108 ( 9.894 2.392 -2.381) 10.454 2.276 ( 5.487 2.595 2.142) 6.437 2.392 ( 7.460 7.157 6.781) 12.363 3.154 ( 1.087 -7.091 -3.385) 7.932 3.378 ( 2.346 -0.400 3.090) 3.900 4.009 ( -3.577 3.412 -8.013) 9.415 4.167 ( -4.860 -3.476 3.402) 6.876 4.896 ( -7.993 -2.235 -0.909) 8.349 5.174 ( 9.354 2.676 0.404) 9.737 5.975 ( 3.002 7.392 -5.487) 9.683 6.501 ( 1.607 -14.200 5.176) 15.199 7.011 ( 6.116 -1.709 -1.391) 6.501 7.303 ( -11.766 3.476 -2.535) 12.528 7.508 ( 0.933 2.668 0.145) 2.830 8.051 ( 2.648 4.091 6.192) 7.879 12.426 ( -10.283 -10.913 -3.355) 15.365 12.705 ( -8.862 3.273 -5.711) 11.039 13.556 ( 6.429 -0.063 0.293) 6.436 13.888 ( 0.846 12.861 11.734) 17.430 15.474 ( 2.359 -1.325 -1.012) 2.889 15.799 ( 2.080 -3.780 -2.815) 5.152 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -5.418 -17.788 -14.519) 23.591 1.388 ( -16.733 8.476 -16.273) 24.832 1.470 ( -18.809 -8.945 13.416) 24.775 2.251 ( 7.302 -0.335 0.408) 7.321 2.427 ( 4.008 7.516 3.540) 9.224 2.683 ( 14.088 4.716 5.173) 15.731 3.088 ( 2.604 -8.418 -3.189) 9.371 3.429 ( 1.781 -0.079 1.832) 2.556 3.945 ( -3.668 6.320 -8.833) 11.463 4.011 ( -9.753 -6.802 4.447) 12.695 4.724 ( -8.391 -2.056 -2.073) 8.884 5.338 ( 6.714 1.949 -0.217) 6.995 6.108 ( 6.396 9.148 -6.378) 12.856 6.428 ( 2.331 -12.469 5.495) 13.824 7.085 ( 1.123 -6.754 1.291) 6.967 7.143 ( -5.421 7.390 -2.826) 9.591 7.539 ( 0.702 1.048 -0.358) 1.312 8.161 ( 1.480 3.505 5.667) 6.826 12.124 ( -9.835 -9.540 -4.924) 14.560 12.466 ( -17.489 2.077 -3.309) 17.920 13.727 ( 11.920 0.491 -0.471) 11.939 14.074 ( 0.047 10.097 9.333) 13.750 15.502 ( 2.723 -0.924 -0.525) 2.923 15.782 ( 2.183 -3.506 -2.630) 4.896 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -7.102 -17.448 -15.528) 24.413 1.062 ( -19.938 9.356 -16.854) 27.733 1.140 ( -20.314 -8.236 15.003) 26.563 2.368 ( 7.295 -0.467 -0.360) 7.319 2.605 ( 4.151 9.143 6.339) 11.875 2.934 ( 7.696 -3.169 -0.168) 8.324 3.087 ( 8.269 -2.103 1.454) 8.655 3.444 ( -0.016 -1.061 -0.774) 1.313 3.767 ( -14.124 -2.566 1.857) 14.474 3.922 ( -0.339 2.291 -4.762) 5.295 4.561 ( -6.744 -1.179 -3.205) 7.559 5.426 ( 2.659 0.523 -0.680) 2.794 6.243 ( 3.472 4.494 -3.293) 6.565 6.442 ( 7.041 -4.061 2.969) 8.653 6.933 ( -7.487 -3.128 -0.889) 8.163 7.225 ( 4.025 1.886 1.853) 4.816 7.550 ( 0.206 0.342 -0.586) 0.709 8.232 ( 0.668 1.784 3.413) 3.909 11.870 ( -7.959 -5.746 -3.446) 10.404 12.159 ( -17.865 1.014 -2.023) 18.008 13.926 ( 10.801 0.888 -0.944) 10.878 14.190 ( -0.426 5.282 5.113) 7.363 15.539 ( 2.454 -0.353 -0.065) 2.480 15.775 ( 1.930 -2.421 -1.483) 3.433 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -9.121 -7.060 -7.656) 13.844 0.710 ( -20.994 10.592 -16.999) 29.016 0.803 ( -22.235 -6.774 16.983) 28.787 2.488 ( 8.277 -0.476 -2.487) 8.656 2.792 ( 6.331 -1.842 0.984) 6.667 2.954 ( 1.289 4.552 4.053) 6.230 3.235 ( 1.706 -1.200 3.250) 3.862 3.423 ( 2.770 -3.331 -0.161) 4.336 3.531 ( -12.585 1.894 0.355) 12.732 3.920 ( 1.507 0.387 -5.410) 5.629 4.447 ( -4.435 -0.066 0.481) 4.462 5.440 ( -0.500 0.003 -0.212) 0.543 6.284 ( 1.091 -0.166 0.478) 1.203 6.584 ( 7.610 2.318 -0.520) 7.973 6.795 ( -4.554 -2.884 0.371) 5.403 7.308 ( 2.422 0.865 2.659) 3.699 7.548 ( -0.204 0.001 -0.471) 0.513 8.258 ( 0.545 -0.084 -1.639) 1.729 11.716 ( -5.316 -0.194 0.019) 5.320 11.882 ( -14.079 0.239 -0.985) 14.116 14.086 ( 7.696 0.934 -1.290) 7.859 14.220 ( -0.177 -1.026 -0.248) 1.071 15.573 ( 1.576 0.004 0.110) 1.580 15.789 ( 1.264 0.052 1.787) 2.189 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -17.479 14.672 -14.145) 26.849 0.581 ( -19.924 -3.308 17.964) 27.030 1.089 ( 0.677 22.096 20.767) 30.331 2.542 ( 12.047 -1.101 -0.118) 12.098 2.673 ( 6.189 -1.007 -3.805) 7.335 2.987 ( -5.632 -8.036 2.194) 10.055 3.140 ( -3.642 -2.783 -6.693) 8.112 3.419 ( -6.888 5.606 -5.002) 10.192 3.484 ( 0.170 -4.126 2.677) 4.921 3.969 ( 0.024 7.885 0.916) 7.938 4.662 ( 5.329 -5.713 16.771) 18.501 5.452 ( -0.354 -0.552 1.085) 1.268 6.284 ( -1.255 -3.553 0.493) 3.800 6.592 ( 6.992 -3.837 0.527) 7.993 6.793 ( -7.281 0.767 -0.041) 7.322 7.262 ( 1.313 -2.446 -2.166) 3.521 7.562 ( -0.325 1.338 1.130) 1.781 8.138 ( -0.023 7.553 -11.975) 14.158 11.694 ( -7.527 0.086 0.108) 7.529 12.038 ( -2.452 16.461 13.302) 21.306 14.148 ( 7.431 -1.561 1.469) 7.734 14.177 ( 3.722 1.226 -2.867) 4.855 15.554 ( -0.199 -2.925 -1.844) 3.464 15.785 ( -2.905 -7.581 1.534) 8.262 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -2.532 9.659 0.093) 9.985 0.407 ( -7.755 3.820 10.769) 13.810 1.438 ( 1.608 19.943 18.632) 27.339 2.590 ( -9.170 -5.919 -1.508) 11.018 2.711 ( 7.240 -7.023 -0.114) 10.087 2.993 ( 3.211 0.016 -0.996) 3.362 3.043 ( 6.715 5.984 -7.605) 11.779 3.336 ( -1.433 -6.692 0.231) 6.848 3.475 ( -0.019 0.680 0.649) 0.940 4.007 ( -4.521 8.051 0.548) 9.250 4.725 ( -1.040 -7.180 11.706) 13.772 5.435 ( -0.156 -2.979 0.488) 3.022 6.216 ( 1.933 -9.016 -0.900) 9.264 6.615 ( -5.476 0.810 1.403) 5.710 6.781 ( 6.069 3.089 0.225) 6.814 7.266 ( 2.569 -2.487 -0.792) 3.662 7.569 ( -1.420 2.130 0.286) 2.576 8.142 ( -1.957 8.151 -8.620) 12.023 11.630 ( -0.181 0.245 -0.028) 0.305 12.274 ( -1.175 19.999 16.254) 25.798 14.194 ( -1.962 -1.033 0.588) 2.294 14.216 ( -0.456 1.071 -1.455) 1.864 15.486 ( 1.203 -6.786 -4.031) 7.984 15.708 ( 1.769 -6.391 0.875) 6.689 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 10.159 4.717 4.775) 12.176 0.569 ( 14.779 6.499 4.270) 16.700 1.737 ( 0.382 16.279 15.493) 22.476 2.342 ( -9.110 -6.759 -4.720) 12.286 2.672 ( -2.998 -4.533 -0.374) 5.447 2.953 ( -2.510 -4.559 -0.991) 5.298 3.204 ( 2.553 -5.297 1.699) 6.121 3.369 ( 12.917 3.227 -10.297) 16.831 3.518 ( 4.221 1.319 5.510) 7.065 4.003 ( -5.813 8.822 1.501) 10.671 4.664 ( -3.648 -4.333 3.802) 6.822 5.393 ( -0.202 -5.181 -0.239) 5.190 6.183 ( 6.352 -11.557 -0.076) 13.188 6.519 ( -7.669 1.073 1.359) 7.862 6.942 ( 5.186 6.415 0.988) 8.308 7.289 ( 3.319 -3.126 2.060) 5.003 7.560 ( -1.788 2.028 -0.520) 2.754 8.119 ( -4.646 7.314 -5.874) 10.468 11.694 ( 7.436 0.264 -0.002) 7.440 12.572 ( -0.186 21.728 17.689) 28.019 14.063 ( -10.928 -2.787 2.016) 11.457 14.179 ( -3.931 2.371 -3.368) 5.694 15.440 ( 3.694 -6.394 -4.547) 8.672 15.706 ( 4.648 -6.548 -0.708) 8.061 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 16.085 3.894 1.186) 16.592 0.948 ( 18.710 4.617 5.253) 19.974 1.931 ( -2.772 8.577 9.040) 12.766 2.123 ( -4.400 -5.456 -4.111) 8.126 2.553 ( -6.420 -2.877 0.307) 7.041 2.800 ( -7.075 -5.405 -2.899) 9.363 3.216 ( 4.443 -7.682 4.701) 10.043 3.412 ( -1.678 1.943 -7.474) 7.903 3.776 ( 15.446 2.977 3.855) 16.196 4.017 ( -3.914 9.571 1.287) 10.420 4.594 ( -0.166 -2.923 -2.799) 4.051 5.327 ( -1.207 -5.284 -0.418) 5.436 6.191 ( 7.661 -12.031 -0.512) 14.272 6.402 ( -8.505 1.320 3.232) 9.194 7.034 ( 1.311 -0.408 -1.427) 1.980 7.372 ( 2.252 6.936 4.632) 8.639 7.553 ( 0.743 -1.045 0.856) 1.542 8.057 ( -6.992 6.446 -4.322) 10.446 11.878 ( 13.718 0.406 -0.141) 13.724 12.875 ( -1.530 19.863 16.758) 26.033 13.847 ( -11.409 -2.060 1.076) 11.643 14.088 ( -7.384 2.053 -2.225) 7.981 15.418 ( 2.960 -4.695 -4.005) 6.844 15.715 ( 5.189 -7.064 -2.422) 9.093 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 18.416 2.166 0.789) 18.560 1.318 ( 16.172 3.833 3.470) 16.979 1.809 ( -4.667 -11.205 -6.798) 13.912 2.142 ( -1.180 6.639 5.991) 9.020 2.416 ( -7.655 -0.500 1.591) 7.835 2.606 ( -8.908 -2.882 -2.330) 9.648 3.243 ( 3.769 -7.454 4.332) 9.410 3.320 ( -4.033 -0.803 -5.751) 7.070 4.051 ( 8.967 1.960 -0.685) 9.204 4.070 ( -0.108 8.250 4.818) 9.554 4.590 ( 6.331 -0.911 -6.686) 9.253 5.248 ( -2.554 -4.133 0.062) 4.858 6.156 ( -1.536 -4.350 -3.802) 5.978 6.343 ( 0.857 -5.339 7.236) 9.033 6.983 ( -1.158 -5.115 -2.967) 6.025 7.483 ( -2.926 9.954 0.148) 10.377 7.617 ( 5.263 0.061 6.738) 8.550 7.964 ( -7.570 5.278 -3.045) 9.718 12.148 ( 17.301 0.695 -0.419) 17.320 13.028 ( -8.749 8.763 9.051) 15.338 13.728 ( -5.004 6.493 5.290) 9.756 13.945 ( -10.428 1.478 -0.607) 10.550 15.400 ( 2.323 -3.526 -3.325) 5.374 15.712 ( 4.780 -7.000 -3.603) 9.210 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 3.015 -9.191 -1.655) 9.814 1.487 ( 14.158 -0.092 -6.955) 15.775 1.695 ( 8.953 -0.906 0.695) 9.025 2.130 ( -6.623 -1.281 0.989) 6.818 2.364 ( -3.798 0.337 5.873) 7.002 2.429 ( -9.402 6.645 -0.996) 11.557 3.177 ( -2.372 -6.161 -3.934) 7.685 3.288 ( 2.789 -3.693 3.270) 5.667 4.079 ( -0.691 2.468 -5.848) 6.385 4.210 ( 1.449 2.571 5.796) 6.504 4.730 ( 12.829 2.331 -5.684) 14.224 5.159 ( -4.115 -3.406 1.090) 5.452 6.055 ( -5.333 3.325 -4.928) 7.986 6.367 ( 5.009 -11.800 7.837) 15.025 6.902 ( -0.027 -3.851 -3.108) 4.949 7.504 ( -1.031 2.762 0.154) 2.952 7.685 ( -7.345 5.827 1.414) 9.482 7.936 ( 1.479 4.234 2.642) 5.205 12.448 ( 16.742 0.741 -0.244) 16.760 12.866 ( -14.421 -1.946 -0.816) 14.574 13.743 ( -11.321 2.849 -1.551) 11.776 13.878 ( -0.780 11.998 12.729) 17.510 15.391 ( 2.486 -2.937 -2.683) 4.691 15.700 ( 4.239 -6.233 -3.907) 8.490 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -4.786 -15.540 -11.657) 20.007 1.727 ( 3.924 2.645 -1.307) 4.910 1.882 ( 9.531 3.105 -4.247) 10.887 1.991 ( -5.155 -4.548 5.334) 8.701 2.226 ( -4.573 -2.492 -0.059) 5.208 2.513 ( -0.528 11.951 7.455) 14.096 3.058 ( -0.891 -7.171 -4.420) 8.471 3.332 ( 3.618 -2.976 3.931) 6.116 4.028 ( -2.103 0.153 -5.826) 6.196 4.243 ( -3.024 1.760 2.411) 4.249 4.919 ( 5.955 2.539 -6.782) 9.376 5.081 ( 0.324 -2.750 4.328) 5.138 6.015 ( -1.680 8.415 -6.129) 10.545 6.348 ( 2.842 -14.795 7.300) 16.741 6.898 ( 4.109 -1.454 -1.043) 4.481 7.510 ( -0.910 -1.771 3.520) 4.045 7.550 ( -11.500 6.682 -4.696) 14.104 8.063 ( 4.082 4.035 4.136) 7.074 12.546 ( -14.230 -6.611 1.811) 15.795 12.703 ( 7.952 3.624 -6.707) 11.016 13.572 ( -7.705 0.446 -0.080) 7.719 14.074 ( 0.035 11.635 10.884) 15.932 15.398 ( 3.156 -2.452 -1.846) 4.402 15.692 ( 3.650 -4.636 -3.098) 6.664 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -6.581 -13.583 -10.872) 18.601 1.628 ( -12.476 7.051 -11.181) 18.176 1.754 ( -14.955 -6.930 9.542) 19.045 2.117 ( 8.833 2.020 -3.234) 9.621 2.294 ( 12.678 -2.419 3.269) 13.314 2.698 ( 2.936 11.711 9.128) 15.136 2.957 ( 0.487 -7.353 -4.235) 8.499 3.391 ( 3.326 -2.145 3.312) 5.161 3.955 ( -1.978 -1.880 -4.130) 4.950 4.170 ( -8.265 1.983 -0.280) 8.504 4.833 ( -7.698 -0.741 -3.842) 8.636 5.215 ( 9.303 0.361 0.998) 9.364 6.092 ( 3.239 11.634 -6.200) 13.575 6.287 ( 2.572 -14.030 6.834) 15.817 6.974 ( 5.335 -1.957 1.804) 5.962 7.360 ( -12.045 2.867 0.279) 12.385 7.527 ( 0.829 0.499 -1.582) 1.854 8.173 ( 2.919 2.124 1.790) 4.029 12.242 ( -14.154 -4.079 -1.159) 14.776 12.703 ( -8.732 1.966 -3.707) 9.688 13.560 ( 6.281 0.364 -0.070) 6.292 14.208 ( -0.566 5.762 5.873) 8.247 15.430 ( 3.682 -1.301 -0.457) 3.931 15.699 ( 2.910 -2.381 -1.193) 3.945 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -8.937 -4.928 -4.930) 11.334 1.376 ( -17.373 10.263 -15.964) 25.729 1.472 ( -17.451 -8.051 14.385) 24.006 2.236 ( 6.810 0.246 -2.239) 7.173 2.516 ( 11.960 -2.330 1.697) 12.303 2.896 ( 3.934 -5.849 -3.081) 7.693 2.946 ( 5.660 11.232 9.917) 16.017 3.424 ( 0.888 -2.692 2.154) 3.560 3.871 ( -1.945 -6.809 0.684) 7.114 4.020 ( -11.201 6.261 -5.643) 14.018 4.671 ( -8.192 0.023 -2.205) 8.484 5.351 ( 6.252 -0.143 -0.280) 6.260 6.212 ( 2.936 -1.272 1.024) 3.360 6.307 ( 7.125 2.757 0.238) 7.644 6.992 ( -2.889 -4.982 3.132) 6.556 7.253 ( -3.124 3.884 1.224) 5.133 7.535 ( 0.913 -0.083 -1.358) 1.638 8.221 ( 1.776 -0.214 -1.833) 2.562 11.998 ( -11.563 -0.102 0.466) 11.572 12.460 ( -17.415 0.606 -2.204) 17.564 13.733 ( 11.892 0.995 -1.144) 11.988 14.233 ( -0.604 -1.683 -0.333) 1.819 15.487 ( 3.369 0.108 0.715) 3.445 15.732 ( 2.197 0.179 1.691) 2.778 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -7.523 13.637 10.329) 18.688 1.064 ( -20.007 11.027 -16.059) 27.924 1.188 ( -18.828 -6.353 16.165) 25.615 2.336 ( 6.924 0.238 -3.690) 7.850 2.609 ( 5.604 -8.514 -1.897) 10.368 2.980 ( 8.971 1.237 1.291) 9.148 3.193 ( 4.614 6.494 6.864) 10.516 3.390 ( -1.496 -3.863 3.201) 5.236 3.752 ( -7.954 -4.502 5.834) 10.843 3.886 ( -4.800 6.255 -11.792) 14.185 4.552 ( -5.889 1.226 1.914) 6.313 5.422 ( 2.795 -0.382 0.002) 2.821 6.241 ( 3.682 -4.842 4.082) 7.326 6.487 ( 6.394 6.825 -2.875) 9.784 6.872 ( -6.136 -2.561 3.332) 7.437 7.295 ( 1.821 0.163 2.588) 3.168 7.540 ( 0.555 -0.049 -0.913) 1.070 8.209 ( 0.946 -1.340 -6.756) 6.952 11.870 ( -8.098 5.566 4.064) 10.634 12.149 ( -17.627 -0.173 -0.874) 17.650 13.930 ( 10.713 1.147 -1.874) 10.936 14.165 ( 0.046 -6.897 -4.718) 8.356 15.542 ( 2.243 0.193 0.408) 2.288 15.797 ( 1.726 1.815 4.587) 5.226 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -18.633 12.004 -11.744) 25.084 0.984 ( -19.110 -2.147 14.443) 24.050 1.405 ( 0.016 19.145 18.396) 26.551 2.355 ( 7.404 -1.496 -3.411) 8.287 2.531 ( 7.840 -1.153 -0.825) 7.968 2.898 ( 4.818 -13.746 -3.755) 15.042 3.094 ( -3.667 -5.546 1.902) 6.916 3.452 ( 1.376 -1.224 -0.977) 2.085 3.664 ( -14.682 6.724 -4.938) 16.886 4.035 ( 2.929 7.223 4.964) 9.240 4.664 ( 0.386 1.467 6.693) 6.862 5.428 ( 1.780 -2.934 -0.424) 3.458 6.295 ( -4.788 -5.107 1.092) 7.085 6.407 ( 9.492 -4.850 0.449) 10.669 6.945 ( -8.485 1.228 0.097) 8.574 7.206 ( 2.137 -1.082 0.233) 2.407 7.579 ( 0.988 0.838 2.652) 2.951 8.109 ( 3.143 5.426 -9.380) 11.283 11.876 ( -13.443 0.154 0.281) 13.447 12.348 ( -2.885 19.269 15.445) 24.863 13.975 ( 9.908 -4.169 0.206) 10.752 14.078 ( 7.404 1.904 -3.772) 8.525 15.518 ( -0.701 -3.383 -2.330) 4.167 15.785 ( -4.102 -6.032 -0.163) 7.296 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -14.122 13.761 -9.669) 21.961 0.731 ( -17.576 -2.174 15.935) 23.824 1.705 ( 1.310 17.626 16.425) 24.129 2.445 ( 8.192 -8.923 -5.991) 13.514 2.625 ( 2.817 -2.767 2.589) 4.721 2.839 ( 7.341 -1.723 -6.393) 9.886 3.014 ( -0.728 -5.978 1.143) 6.129 3.409 ( -8.155 -4.972 2.570) 9.891 3.503 ( -3.755 7.351 -5.211) 9.762 4.142 ( -1.123 7.252 2.104) 7.634 4.723 ( 1.004 -2.320 6.434) 6.913 5.400 ( -0.117 -4.856 -0.770) 4.918 6.104 ( -2.673 -11.664 -3.412) 12.443 6.624 ( 11.290 3.351 4.466) 12.595 6.789 ( -7.710 -0.719 -1.122) 7.824 7.233 ( 0.048 0.880 0.195) 0.902 7.617 ( -0.454 2.209 2.612) 3.451 8.170 ( 2.028 6.573 -6.452) 9.431 11.701 ( -7.609 0.395 0.231) 7.623 12.613 ( -1.809 22.234 17.947) 28.631 14.141 ( 9.605 -0.105 -0.115) 9.606 14.170 ( 3.856 0.415 -0.723) 3.945 15.393 ( -3.766 -8.837 -5.461) 11.049 15.661 ( -2.051 -5.292 -0.634) 5.711 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -1.940 9.128 1.422) 9.440 0.606 ( -5.780 4.120 9.236) 11.648 1.972 ( 0.370 14.862 13.701) 20.217 2.294 ( -1.977 -16.270 -10.934) 19.702 2.640 ( 0.055 -3.586 4.098) 5.446 2.968 ( -0.190 -2.361 0.351) 2.395 3.062 ( 16.715 5.974 -7.827) 19.399 3.203 ( -8.002 -7.560 1.766) 11.149 3.537 ( 0.855 4.180 0.684) 4.321 4.180 ( -3.682 7.695 1.439) 8.651 4.695 ( -3.271 -4.615 1.600) 5.879 5.335 ( -0.261 -6.184 -0.188) 6.192 5.978 ( 3.250 -11.713 -2.055) 12.328 6.659 ( -6.639 0.931 -0.132) 6.705 6.882 ( 9.742 5.227 2.173) 11.267 7.235 ( 0.516 -1.046 2.015) 2.329 7.633 ( -2.423 3.608 1.357) 4.553 8.213 ( -1.168 6.350 -3.442) 7.317 11.638 ( -0.319 0.528 0.136) 0.632 12.924 ( -1.445 23.631 19.239) 30.507 14.189 ( -2.387 -0.747 1.612) 2.976 14.225 ( -0.957 1.820 -1.808) 2.738 15.240 ( 3.417 -10.575 -6.734) 12.995 15.598 ( 0.783 -5.466 -1.611) 5.752 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 6.631 4.528 5.848) 9.933 0.756 ( 12.318 7.246 3.659) 14.752 1.983 ( -4.794 -15.346 -10.221) 19.051 2.187 ( -0.538 9.572 8.830) 13.034 2.594 ( -3.178 -3.750 2.452) 5.493 2.891 ( -8.144 1.053 -3.878) 9.081 3.083 ( 3.435 -10.308 4.758) 11.861 3.329 ( 10.702 5.022 -10.121) 15.563 3.632 ( 6.268 2.544 5.770) 8.892 4.197 ( -4.305 8.011 1.864) 9.284 4.571 ( -3.941 -4.868 -3.363) 7.109 5.279 ( 0.099 -5.404 0.432) 5.422 5.947 ( 6.788 -11.297 -0.452) 13.187 6.560 ( -6.663 1.491 0.221) 6.831 7.012 ( 0.485 1.408 -2.322) 2.759 7.323 ( 8.373 -0.048 6.722) 10.737 7.625 ( -3.993 5.607 -0.027) 6.884 8.208 ( -4.814 5.733 -1.173) 7.578 11.704 ( 7.276 0.654 0.078) 7.305 13.232 ( -3.171 22.272 18.722) 29.268 14.050 ( -12.163 -1.536 2.983) 12.617 14.189 ( -3.802 2.793 -3.451) 5.845 15.226 ( 8.900 -8.158 -5.907) 13.441 15.551 ( 2.782 -7.315 -3.243) 8.471 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 12.565 3.933 2.037) 13.323 1.102 ( 16.874 4.541 4.596) 18.068 1.678 ( -3.382 -17.775 -11.864) 21.637 2.286 ( -3.411 6.797 5.592) 9.440 2.508 ( -4.524 -2.921 3.461) 6.402 2.733 ( -8.367 2.516 -3.663) 9.474 3.108 ( 5.554 -8.418 4.203) 10.926 3.350 ( -3.067 1.030 -7.663) 8.318 3.874 ( 13.427 1.592 3.221) 13.899 4.222 ( -3.232 7.912 3.585) 9.268 4.468 ( 0.524 -2.822 -6.304) 6.927 5.232 ( -0.629 -3.964 0.149) 4.016 5.967 ( 7.825 -10.201 -0.037) 12.857 6.464 ( -7.351 2.243 1.239) 7.785 6.957 ( -2.693 -3.050 -2.469) 4.759 7.501 ( 6.644 -3.408 3.607) 8.293 7.644 ( -1.012 10.887 1.498) 11.036 8.148 ( -7.907 4.710 0.309) 9.209 11.890 ( 13.552 0.839 -0.088) 13.579 13.379 ( -13.488 11.120 11.556) 20.955 13.918 ( -5.258 6.998 5.877) 10.544 14.105 ( -7.128 1.880 -1.511) 7.525 15.269 ( 6.597 -4.771 -4.318) 9.215 15.514 ( 5.260 -8.953 -4.810) 11.444 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 16.247 2.567 -0.421) 16.454 1.318 ( 0.321 -11.639 -6.126) 13.156 1.507 ( 11.822 -2.265 0.110) 12.037 2.247 ( -7.204 1.013 -0.375) 7.284 2.438 ( -4.044 -3.025 3.561) 6.180 2.650 ( -6.422 9.705 0.292) 11.641 3.111 ( 0.836 -9.072 0.848) 9.150 3.246 ( -1.635 -1.663 -2.919) 3.736 4.039 ( 4.090 -0.651 -2.240) 4.708 4.301 ( -1.687 7.398 6.552) 10.025 4.499 ( 10.845 0.183 -6.223) 12.504 5.178 ( -1.851 -3.058 -0.129) 3.577 6.001 ( 6.200 -6.792 -1.360) 9.296 6.374 ( -6.596 0.946 3.015) 7.314 6.867 ( -1.834 -3.283 -2.054) 4.285 7.517 ( 0.158 -2.151 -0.107) 2.160 7.796 ( 2.526 7.945 2.323) 8.655 8.049 ( -7.959 3.275 1.684) 8.769 12.161 ( 17.147 0.980 -0.392) 17.179 13.163 ( -20.079 0.830 2.957) 20.312 13.945 ( -9.904 2.952 -1.877) 10.503 14.072 ( -0.350 10.741 10.915) 15.318 15.295 ( 3.516 -2.955 -2.897) 5.430 15.507 ( 7.216 -7.846 -4.812) 11.695 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.271 -11.873 -8.226) 15.062 1.520 ( 17.665 1.807 0.571) 17.766 1.742 ( 10.608 1.758 1.659) 10.880 2.100 ( -8.786 -0.594 -1.319) 8.904 2.320 ( -7.392 -3.402 0.505) 8.153 2.701 ( -3.204 12.335 4.708) 13.586 2.983 ( -1.697 -8.601 -4.025) 9.647 3.255 ( 3.736 -3.062 2.483) 5.431 4.027 ( -1.312 -1.264 -2.428) 3.036 4.337 ( -3.176 4.454 1.428) 5.654 4.723 ( 14.208 2.523 -3.006) 14.740 5.106 ( -3.129 -3.150 0.824) 4.516 6.032 ( 3.815 -0.637 -3.133) 4.977 6.290 ( -4.792 -3.272 4.246) 7.190 6.834 ( 1.705 -0.687 -0.880) 2.038 7.498 ( 0.295 -2.187 -0.022) 2.207 7.790 ( -10.607 4.006 -0.053) 11.338 8.050 ( 2.920 2.521 1.932) 4.315 12.460 ( 16.724 0.768 -0.466) 16.748 12.828 ( -19.962 -0.219 -0.094) 19.964 13.757 ( -12.181 0.685 -0.899) 12.233 14.221 ( -0.147 6.668 6.628) 9.403 15.311 ( 3.197 -1.797 -1.197) 3.858 15.546 ( 6.685 -3.953 -2.661) 8.210 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -6.580 -3.133 -2.165) 7.602 1.777 ( 2.674 4.590 -2.550) 5.892 1.872 ( 2.495 0.762 -3.240) 4.160 1.978 ( 0.531 -1.892 2.761) 3.389 2.176 ( -2.867 -3.926 2.445) 5.442 2.776 ( -0.004 -0.694 0.753) 1.024 2.917 ( 0.416 4.804 0.948) 4.914 3.317 ( 4.633 -2.686 2.890) 6.086 3.960 ( -3.236 -2.514 -0.651) 4.149 4.305 ( -5.133 3.259 -1.387) 6.236 4.889 ( 1.018 3.478 -6.841) 7.742 5.073 ( 5.224 -3.853 4.771) 8.056 6.092 ( 4.305 -0.010 -0.542) 4.338 6.214 ( -2.396 -0.624 1.473) 2.881 6.894 ( 4.576 0.848 1.155) 4.795 7.481 ( 0.087 -3.715 1.478) 3.999 7.613 ( -12.147 2.988 -0.998) 12.549 8.129 ( 3.645 0.205 -1.221) 3.850 12.502 ( -18.087 -0.086 2.633) 18.277 12.697 ( 8.659 1.974 -4.069) 9.769 13.575 ( -7.548 0.042 -0.068) 7.548 14.256 ( -0.661 -1.865 -0.327) 2.005 15.363 ( 3.683 0.398 1.103) 3.865 15.619 ( 5.027 -0.120 0.326) 5.039 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -8.130 9.000 6.629) 13.822 1.655 ( -13.898 9.436 -11.137) 20.155 1.732 ( -12.969 -6.403 8.427) 16.740 2.113 ( 7.357 2.160 -4.006) 8.651 2.269 ( 13.458 -5.618 5.374) 15.542 2.729 ( 3.357 -7.888 -3.565) 9.284 3.066 ( 2.449 11.757 6.167) 13.500 3.379 ( 3.310 -2.340 2.351) 4.686 3.866 ( -4.046 -4.182 1.560) 6.024 4.211 ( -8.134 3.812 -3.679) 9.707 4.800 ( -7.491 2.531 -3.835) 8.788 5.212 ( 9.149 -2.038 1.697) 9.525 6.103 ( 3.057 -11.000 6.358) 13.068 6.299 ( 4.119 13.889 -4.599) 15.199 6.982 ( 2.645 -0.602 3.515) 4.440 7.382 ( -8.069 -3.035 2.451) 8.962 7.518 ( -0.810 1.273 -1.904) 2.429 8.154 ( 2.452 -2.005 -4.747) 5.707 12.256 ( -14.873 4.156 3.209) 15.772 12.688 ( -8.836 0.218 -2.346) 9.144 13.566 ( 6.397 0.595 -0.580) 6.451 14.173 ( -0.431 -8.482 -5.672) 10.213 15.443 ( 3.409 1.194 1.612) 3.955 15.714 ( 3.485 2.435 3.256) 5.355 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -6.228 18.283 14.279) 24.019 1.403 ( -18.180 10.353 -13.443) 24.868 1.500 ( -14.693 -5.619 12.801) 20.281 2.214 ( 5.998 1.584 -4.323) 7.561 2.419 ( 7.669 -7.778 1.023) 10.971 2.757 ( 10.868 -6.593 -1.222) 12.771 3.244 ( 2.456 6.134 3.418) 7.439 3.400 ( 0.302 -1.798 2.891) 3.418 3.788 ( -2.366 -2.020 4.605) 5.557 4.068 ( -10.549 5.280 -5.475) 13.005 4.688 ( -6.982 3.596 -0.907) 7.905 5.333 ( 6.534 -1.831 0.519) 6.805 6.114 ( 5.789 -8.852 6.066) 12.193 6.482 ( 3.443 12.009 -4.096) 13.147 6.974 ( -4.493 -2.009 5.874) 7.663 7.284 ( -1.285 -2.456 0.436) 2.805 7.522 ( 0.937 -0.075 -0.164) 0.954 8.125 ( 1.610 -2.170 -8.333) 8.760 12.135 ( -10.416 9.554 6.246) 15.453 12.440 ( -17.073 -0.773 -0.400) 17.095 13.736 ( 11.708 1.007 -1.671) 11.870 14.035 ( 0.721 -10.587 -7.623) 13.066 15.508 ( 2.406 0.477 0.607) 2.527 15.811 ( 2.148 2.217 4.416) 5.388 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -18.480 8.167 -7.357) 21.502 1.346 ( -16.297 0.151 9.000) 18.618 1.666 ( 0.849 14.589 14.194) 20.372 2.214 ( 4.166 -3.032 -3.698) 6.342 2.375 ( 8.468 0.300 -3.203) 9.058 2.618 ( 8.883 -14.029 -1.158) 16.645 3.143 ( -5.711 -5.291 3.025) 8.352 3.398 ( 2.084 -1.840 -2.004) 3.427 3.932 ( -11.929 5.875 -4.174) 13.937 4.082 ( 2.449 5.654 6.534) 8.980 4.741 ( -3.144 4.682 -0.473) 5.659 5.327 ( 4.600 -5.243 -1.210) 7.079 6.200 ( 10.368 -3.091 1.225) 10.888 6.364 ( -9.283 -7.068 0.985) 11.709 7.047 ( -5.318 -6.014 -2.607) 8.441 7.217 ( 0.521 7.537 4.966) 9.041 7.574 ( 2.955 1.303 3.300) 4.617 8.034 ( 4.617 3.758 -7.845) 9.848 12.139 ( -16.692 0.260 0.387) 16.698 12.672 ( -1.684 18.674 15.316) 24.210 13.751 ( 9.543 -5.757 -1.938) 11.312 13.923 ( 10.420 1.881 -3.295) 11.089 15.486 ( -0.904 -2.934 -2.151) 3.749 15.797 ( -3.963 -4.942 -0.944) 6.405 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -16.199 9.865 -7.584) 20.426 1.106 ( -18.369 -1.188 11.570) 21.742 1.899 ( 3.717 9.504 9.798) 14.147 2.220 ( 3.059 -6.752 -4.328) 8.584 2.511 ( 8.328 1.894 -4.137) 9.490 2.632 ( 8.727 -8.571 1.004) 12.273 3.023 ( -4.604 -4.349 2.924) 6.976 3.401 ( 1.636 -3.680 0.115) 4.029 3.736 ( -14.293 6.217 -3.810) 16.046 4.207 ( 1.966 5.260 2.747) 6.252 4.739 ( -1.014 1.282 0.089) 1.637 5.325 ( 2.421 -5.747 -0.939) 6.306 6.046 ( -6.882 -11.853 -4.890) 14.553 6.478 ( 11.810 2.524 6.483) 13.707 6.882 ( -6.173 -3.797 -2.171) 7.565 7.284 ( -1.712 4.346 1.939) 5.057 7.660 ( 0.874 3.164 5.142) 6.100 8.126 ( 5.461 5.225 -5.843) 9.553 11.887 ( -13.424 0.430 0.560) 13.443 12.957 ( -0.019 21.648 17.452) 27.806 13.914 ( 14.278 -2.101 -0.238) 14.434 14.075 ( 7.436 1.405 -1.870) 7.796 15.372 ( -5.585 -6.775 -4.385) 9.814 15.652 ( -4.235 -5.951 -2.278) 7.651 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -10.870 11.180 -6.180) 16.773 0.871 ( -15.102 -1.361 12.903) 19.910 1.998 ( 5.603 -16.623 -11.077) 20.747 2.190 ( -1.860 9.255 8.709) 12.844 2.612 ( 4.262 -1.479 1.136) 4.653 2.798 ( 13.379 -0.821 -0.436) 13.411 2.955 ( -0.954 -0.096 1.463) 1.749 3.321 ( -7.726 -5.723 0.307) 9.619 3.601 ( -4.933 6.685 -2.025) 8.551 4.277 ( -0.191 4.167 0.600) 4.214 4.705 ( -2.252 -2.818 -1.394) 3.867 5.291 ( -0.144 -4.554 0.795) 4.625 5.834 ( -1.615 -10.638 -3.278) 11.249 6.717 ( 3.371 -1.898 0.430) 3.893 6.784 ( 4.026 3.719 2.341) 5.959 7.280 ( -3.152 2.362 0.969) 4.056 7.716 ( -1.371 3.498 4.294) 5.706 8.232 ( 3.476 5.424 -2.966) 7.092 11.714 ( -7.703 0.536 0.353) 7.730 13.284 ( -0.076 22.821 18.522) 29.392 14.138 ( 11.172 1.700 -3.038) 11.702 14.178 ( 4.478 -0.786 2.639) 5.257 15.131 ( -7.584 -9.704 -6.101) 13.744 15.533 ( -1.314 -6.067 -3.260) 7.012 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -1.190 6.757 1.774) 7.087 0.777 ( -3.509 3.423 6.569) 8.197 1.751 ( 0.099 -21.536 -14.770) 26.114 2.347 ( -0.125 10.262 8.070) 13.056 2.635 ( -1.118 -1.170 2.247) 2.769 2.905 ( 5.244 -6.576 3.970) 9.301 3.078 ( -8.870 -2.486 -3.299) 9.785 3.120 ( 9.702 5.637 -4.151) 11.964 3.633 ( 1.146 3.517 1.944) 4.179 4.293 ( -0.983 1.159 -0.364) 1.563 4.598 ( -5.006 -2.352 -2.512) 6.075 5.252 ( -1.200 -2.613 1.961) 3.480 5.745 ( 4.016 -9.509 -1.803) 10.479 6.647 ( -3.562 -0.703 -1.203) 3.825 6.985 ( 6.026 3.325 0.366) 6.893 7.265 ( 0.495 0.003 3.448) 3.484 7.740 ( -2.506 4.593 2.264) 5.701 8.299 ( -0.362 4.695 -0.530) 4.739 11.652 ( -0.330 0.586 0.221) 0.708 13.606 ( -1.353 22.060 18.427) 28.776 14.202 ( -2.121 -0.401 2.200) 3.082 14.243 ( -1.999 2.414 -2.264) 3.866 14.953 ( 4.972 -10.075 -6.523) 12.992 15.437 ( 0.105 -7.219 -4.445) 8.478 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 5.092 2.745 4.839) 7.542 0.917 ( 11.701 5.420 1.726) 13.010 1.453 ( -1.100 -19.260 -13.002) 23.264 2.437 ( -3.567 6.121 3.253) 7.796 2.596 ( -4.694 -0.170 4.662) 6.618 2.859 ( -7.213 -2.941 -3.198) 8.420 2.969 ( 4.930 -3.071 3.513) 6.788 3.307 ( 5.587 3.190 -8.092) 10.338 3.727 ( 6.548 0.745 4.098) 7.761 4.273 ( 0.955 -2.341 -1.466) 2.923 4.502 ( -5.293 3.413 -0.568) 6.324 5.220 ( -1.488 -1.616 1.284) 2.544 5.747 ( 7.028 -8.459 -0.628) 11.016 6.582 ( -4.006 1.301 -0.683) 4.267 6.990 ( -4.392 -0.087 -2.298) 4.957 7.370 ( 7.625 -2.258 4.487) 9.131 7.762 ( -1.727 6.602 0.526) 6.844 8.299 ( -4.495 3.268 1.002) 5.647 11.719 ( 7.324 0.671 0.112) 7.356 13.810 ( -13.187 13.223 14.120) 23.412 14.097 ( -5.825 3.959 3.877) 8.039 14.203 ( -3.565 2.569 -2.932) 5.283 15.010 ( 13.338 -7.127 -4.914) 15.901 15.345 ( 1.334 -7.785 -4.969) 9.331 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 10.298 2.082 0.942) 10.548 1.165 ( 3.843 -7.057 -1.806) 8.236 1.267 ( 11.586 -2.780 -2.978) 12.281 2.386 ( -7.377 2.557 -0.725) 7.841 2.515 ( -6.475 -1.792 2.619) 7.211 2.785 ( -0.321 2.139 0.038) 2.163 3.031 ( 1.488 -1.501 2.745) 3.464 3.254 ( -4.084 -2.546 -6.391) 8.000 3.903 ( 9.986 -0.772 0.823) 10.050 4.306 ( 6.715 -0.512 -2.058) 7.042 4.471 ( -4.711 5.572 3.040) 7.905 5.182 ( -1.936 -1.091 0.018) 2.222 5.801 ( 8.167 -6.614 -0.011) 10.509 6.521 ( -5.835 3.136 -0.387) 6.635 6.880 ( -4.542 -2.296 -1.665) 5.354 7.458 ( 3.661 -3.731 1.900) 5.562 7.832 ( 2.025 6.695 -0.274) 7.000 8.224 ( -7.862 1.217 1.651) 8.125 11.905 ( 13.542 0.722 -0.128) 13.561 13.571 ( -23.195 2.064 4.490) 23.716 14.102 ( -6.985 1.982 -1.835) 7.489 14.218 ( 0.206 7.632 6.602) 10.094 15.149 ( 10.862 -3.111 -2.910) 11.667 15.290 ( 4.157 -6.186 -3.596) 8.275 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -2.743 -1.601 -0.758) 3.265 1.260 ( 14.801 0.954 1.950) 14.959 1.544 ( 15.192 0.652 1.158) 15.250 2.255 ( -9.521 2.771 -2.744) 10.288 2.399 ( -5.618 -2.944 1.014) 6.423 2.843 ( 3.582 0.090 0.464) 3.613 2.947 ( -8.817 -0.283 -1.238) 8.908 3.190 ( 2.158 -1.531 -0.207) 2.654 4.003 ( 2.851 -1.273 0.309) 3.138 4.401 ( 2.649 1.691 -6.820) 7.509 4.541 ( 6.492 3.498 8.313) 11.113 5.132 ( -2.744 -0.876 -0.696) 2.964 5.888 ( 7.847 -3.800 0.525) 8.735 6.427 ( -8.260 2.807 -0.984) 8.779 6.811 ( -0.312 -0.811 -0.650) 1.085 7.463 ( 0.837 -3.191 0.478) 3.333 7.924 ( 1.111 4.408 -0.862) 4.627 8.089 ( -7.663 -1.671 0.997) 7.906 12.172 ( 17.020 0.659 -0.615) 17.043 13.212 ( -23.153 1.564 2.362) 23.325 13.952 ( -10.550 0.377 -1.135) 10.617 14.274 ( -0.372 -1.243 -0.173) 1.309 15.247 ( 3.877 0.402 0.239) 3.905 15.364 ( 9.688 -1.177 -0.542) 9.775 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -5.469 8.731 6.963) 12.435 1.555 ( 17.398 1.275 -0.097) 17.445 1.768 ( 10.596 -1.683 1.885) 10.893 2.098 ( -10.283 4.298 -4.558) 12.041 2.268 ( -7.610 -3.415 2.100) 8.602 2.723 ( -2.573 -10.409 -4.783) 11.741 2.995 ( 1.727 9.987 3.121) 10.605 3.235 ( 3.642 -0.706 0.741) 3.783 4.001 ( -2.275 -1.425 3.075) 4.082 4.378 ( -2.105 1.621 -4.876) 5.553 4.771 ( 11.093 2.293 2.990) 11.716 5.064 ( -3.523 -1.389 0.119) 3.789 5.989 ( 5.809 -3.001 3.203) 7.281 6.312 ( -6.059 4.318 -3.566) 8.250 6.847 ( 3.386 2.049 0.436) 3.982 7.445 ( 0.473 -3.012 0.447) 3.082 7.839 ( -12.233 -0.377 1.842) 12.377 8.042 ( 3.756 -1.937 -3.906) 5.755 12.462 ( 16.543 0.487 -1.374) 16.607 12.869 ( -21.131 2.959 2.191) 21.449 13.752 ( -12.029 -0.360 -0.319) 12.039 14.188 ( -0.443 -9.450 -6.527) 11.493 15.327 ( 3.389 1.977 2.024) 4.415 15.532 ( 7.643 3.139 2.469) 8.623 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -6.773 15.181 11.592) 20.266 1.795 ( 5.640 -0.088 -3.217) 6.494 1.890 ( -2.413 4.708 -1.376) 5.466 1.969 ( 2.074 -0.478 -0.841) 2.288 2.135 ( -3.000 -4.419 4.575) 7.033 2.586 ( 1.033 -9.221 -5.108) 10.592 3.147 ( 2.841 8.435 2.995) 9.391 3.301 ( 4.421 -0.565 -0.031) 4.457 3.947 ( -5.253 -1.266 5.923) 8.018 4.312 ( -3.827 1.238 -5.117) 6.509 4.915 ( -2.642 6.324 -4.504) 8.201 5.044 ( 7.159 -5.240 5.495) 10.436 6.013 ( 0.470 -8.145 6.024) 10.142 6.342 ( 3.196 12.600 -5.312) 14.043 6.945 ( 4.213 2.312 1.569) 5.055 7.420 ( -0.863 -3.613 1.143) 3.886 7.626 ( -10.773 -2.690 1.409) 11.193 8.049 ( 3.006 -2.774 -6.257) 7.475 12.601 ( -16.943 6.673 1.804) 18.299 12.680 ( 7.953 -0.829 0.069) 7.996 13.573 ( -6.949 -0.263 0.066) 6.954 14.023 ( 0.169 -13.110 -9.391) 16.128 15.414 ( 3.042 1.818 1.839) 3.992 15.697 ( 4.955 4.265 3.943) 7.635 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -5.469 17.666 13.820) 23.087 1.705 ( -12.857 0.067 -0.437) 12.864 1.729 ( -11.861 5.502 -3.076) 13.432 2.107 ( 6.138 2.035 -4.053) 7.632 2.200 ( 10.866 -7.887 5.357) 14.456 2.521 ( 5.829 -9.019 -3.678) 11.351 3.265 ( 1.754 2.996 1.918) 3.966 3.360 ( 3.275 -0.546 -1.058) 3.484 3.895 ( -5.037 1.722 7.914) 9.538 4.216 ( -5.800 1.963 -4.635) 7.679 4.844 ( -7.348 5.813 -3.020) 9.845 5.181 ( 8.902 -3.751 2.527) 9.985 5.986 ( 2.943 -7.757 5.167) 9.774 6.524 ( 4.016 12.839 -3.492) 13.898 7.023 ( 1.245 -0.191 4.085) 4.275 7.319 ( -6.405 -3.953 0.514) 7.545 7.510 ( -0.715 -2.500 0.965) 2.773 8.020 ( 2.032 -2.227 -8.024) 8.572 12.461 ( -11.696 10.979 4.737) 16.726 12.664 ( -8.765 -1.718 1.471) 9.052 13.569 ( 6.433 0.633 -0.973) 6.537 13.849 ( 1.547 -12.794 -9.361) 15.928 15.480 ( 2.147 0.859 0.833) 2.458 15.819 ( 2.558 2.528 3.525) 5.036 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -16.093 2.481 -0.463) 16.290 1.641 ( -12.802 4.394 0.501) 13.544 1.763 ( 3.544 -0.319 0.901) 3.670 2.142 ( 3.218 2.400 2.913) 4.960 2.225 ( 7.747 2.066 -4.566) 9.226 2.349 ( 7.511 -10.528 2.886) 13.251 3.209 ( -5.236 -3.799 2.675) 7.001 3.333 ( 1.471 -2.179 -2.020) 3.316 4.072 ( -1.373 4.382 -5.127) 6.883 4.169 ( -2.743 2.040 7.693) 8.418 4.851 ( -6.127 6.002 -5.552) 10.217 5.174 ( 5.874 -6.668 0.239) 8.890 6.029 ( 7.654 -0.401 -0.423) 7.676 6.465 ( -9.755 -8.207 2.034) 12.910 7.022 ( -1.679 -5.957 -0.634) 6.221 7.339 ( -2.077 6.331 2.436) 7.094 7.546 ( 6.290 5.244 2.763) 8.643 7.952 ( 3.181 1.506 -3.821) 5.195 12.427 ( -15.911 0.287 0.798) 15.934 12.889 ( 3.856 9.575 9.020) 13.708 13.572 ( 4.799 0.037 -0.004) 4.799 13.734 ( 11.497 1.240 -1.725) 11.692 15.467 ( -1.183 -2.176 -1.702) 3.005 15.809 ( -3.510 -3.964 -1.672) 5.552 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -16.935 4.680 -3.550) 17.925 1.449 ( -15.687 1.623 5.390) 16.666 1.768 ( 6.613 -11.991 -8.371) 16.050 2.260 ( -1.129 7.653 7.856) 11.025 2.365 ( 8.219 2.873 -4.146) 9.643 2.408 ( 10.062 -6.514 3.469) 12.479 3.092 ( -5.546 -3.294 2.324) 6.857 3.324 ( 2.136 -4.268 -0.645) 4.816 3.983 ( -9.671 4.170 -3.964) 11.253 4.235 ( 1.191 2.968 5.145) 6.058 4.776 ( -3.516 2.571 -6.507) 7.830 5.203 ( 4.787 -5.782 0.411) 7.518 6.027 ( -4.772 -6.988 -5.916) 10.325 6.382 ( 5.391 -0.777 8.116) 9.774 6.906 ( -3.857 -5.061 -1.541) 6.547 7.364 ( -1.496 3.399 0.605) 3.763 7.723 ( 1.911 7.061 7.071) 10.173 8.027 ( 6.642 2.844 -4.830) 8.691 12.154 ( -16.669 0.307 0.989) 16.701 13.165 ( 9.027 11.500 10.269) 17.865 13.707 ( 7.518 4.173 2.784) 9.038 13.927 ( 10.456 1.271 -1.090) 10.589 15.382 ( -4.160 -4.129 -2.816) 6.502 15.659 ( -5.721 -6.321 -3.537) 9.230 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -13.251 5.790 -4.073) 15.023 1.209 ( -17.650 -0.097 7.340) 19.115 1.650 ( 5.186 -18.733 -13.624) 23.737 2.348 ( -0.321 7.170 6.431) 9.637 2.488 ( 8.109 -3.036 1.221) 8.745 2.605 ( 9.658 3.674 0.819) 10.365 3.012 ( -2.961 0.099 2.897) 4.144 3.303 ( 1.095 -6.317 -0.389) 6.423 3.814 ( -12.278 5.190 -2.119) 13.497 4.294 ( 0.724 1.028 1.312) 1.817 4.701 ( -1.948 -1.096 -5.571) 6.003 5.232 ( 3.541 -3.685 1.257) 5.263 5.806 ( -7.360 -6.909 -3.036) 10.541 6.582 ( 10.349 -0.103 4.797) 11.407 6.805 ( -2.267 -1.197 -0.928) 2.727 7.363 ( -2.538 3.031 -0.432) 3.977 7.808 ( -1.991 3.389 6.378) 7.492 8.168 ( 7.591 4.528 -3.009) 9.337 11.903 ( -13.515 0.339 0.592) 13.532 13.515 ( 9.943 13.029 11.366) 19.945 13.923 ( 10.247 5.236 2.146) 11.706 14.088 ( 7.497 0.679 0.538) 7.547 15.194 ( -10.396 -5.742 -3.260) 12.315 15.485 ( -3.526 -6.991 -4.842) 9.207 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -7.803 6.625 -4.264) 11.089 0.974 ( -13.289 -1.511 8.261) 15.720 1.438 ( 2.185 -19.021 -13.800) 23.601 2.477 ( 1.492 8.565 5.363) 10.215 2.587 ( 5.403 -1.795 0.405) 5.708 2.745 ( 6.773 -3.967 0.777) 7.887 3.062 ( 2.505 6.695 2.698) 7.640 3.196 ( -6.274 -6.151 -1.397) 8.897 3.699 ( -5.109 4.599 -0.616) 6.902 4.284 ( -0.919 -3.038 -0.982) 3.322 4.631 ( -1.876 -0.547 -3.086) 3.653 5.260 ( 1.390 -1.366 1.733) 2.608 5.641 ( -3.138 -5.267 -1.715) 6.366 6.655 ( 0.050 -2.921 -0.455) 2.956 6.890 ( 8.463 2.885 2.661) 9.329 7.329 ( -4.087 2.373 -0.677) 4.774 7.825 ( -1.948 1.738 3.837) 4.641 8.303 ( 4.329 3.870 -0.860) 5.870 11.726 ( -7.685 0.281 0.271) 7.695 13.868 ( 7.166 14.158 12.401) 20.139 14.147 ( 8.979 5.000 -4.103) 11.067 14.202 ( 5.086 -1.112 5.348) 7.464 14.907 ( -12.496 -6.471 -3.724) 14.557 15.348 ( -1.261 -6.895 -5.162) 8.705 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -0.363 2.449 0.724) 2.580 0.880 ( -1.186 1.275 2.383) 2.952 1.227 ( 0.330 -12.625 -8.876) 15.437 2.573 ( -3.642 6.593 2.004) 7.794 2.639 ( 3.335 -0.765 1.090) 3.591 2.815 ( 3.796 -6.233 2.997) 7.889 3.000 ( -6.416 -0.698 -2.636) 6.972 3.199 ( 4.643 3.904 -1.293) 6.203 3.701 ( 0.537 1.378 0.914) 1.739 4.219 ( -0.445 -3.696 -1.486) 4.008 4.596 ( -1.932 1.711 -0.369) 2.607 5.264 ( -1.661 0.588 1.522) 2.329 5.581 ( 2.633 -4.653 -1.133) 5.465 6.622 ( -1.056 -0.475 -0.554) 1.283 7.028 ( 1.682 1.098 -0.122) 2.013 7.294 ( 0.437 -0.101 1.325) 1.399 7.832 ( -0.990 2.053 1.086) 2.525 8.367 ( -0.033 1.933 0.295) 1.956 11.663 ( -0.142 0.259 0.108) 0.314 14.151 ( 1.750 10.044 12.445) 16.087 14.218 ( -0.810 -0.107 1.082) 1.356 14.274 ( -5.593 5.797 -2.534) 8.444 14.702 ( 4.732 -8.345 -4.745) 10.702 15.249 ( -0.216 -4.873 -3.620) 6.074 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 5.430 -1.272 3.548) 6.610 0.994 ( 11.832 2.754 -2.014) 12.315 1.131 ( -0.214 -0.633 -0.131) 0.680 2.527 ( -6.411 2.707 0.246) 6.963 2.661 ( -9.957 0.498 0.169) 9.971 2.711 ( 3.963 -5.935 -0.668) 7.168 3.049 ( 3.426 4.763 3.289) 6.726 3.228 ( -0.222 -2.676 -6.510) 7.042 3.751 ( 5.708 -1.864 1.680) 6.235 4.220 ( 2.842 1.089 -0.821) 3.152 4.587 ( -1.951 1.949 2.273) 3.574 5.237 ( -3.438 1.575 0.551) 3.822 5.617 ( 6.614 -3.381 -0.434) 7.441 6.606 ( -1.639 1.998 -0.325) 2.604 6.955 ( -7.039 -0.990 -2.195) 7.439 7.359 ( 5.284 -2.696 2.436) 6.413 7.851 ( 0.770 2.605 -1.465) 3.087 8.340 ( -4.404 -0.507 0.855) 4.515 11.729 ( 7.519 0.254 -0.041) 7.523 14.000 ( -21.407 -0.006 3.691) 21.723 14.193 ( -3.411 0.582 -1.408) 3.735 14.289 ( -0.965 2.462 -0.353) 2.668 14.844 ( 16.900 -3.139 -2.187) 17.327 15.220 ( 0.968 0.191 0.469) 1.093 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 9.808 -0.048 2.185) 10.048 1.178 ( -0.502 8.614 9.225) 12.632 1.271 ( 16.235 1.468 -2.822) 16.544 2.430 ( -8.227 2.822 -0.463) 8.710 2.481 ( -7.358 -1.697 -2.444) 7.937 2.730 ( 2.496 -6.092 -0.485) 6.602 3.097 ( -5.463 -1.442 -4.809) 7.420 3.157 ( 1.362 4.448 2.279) 5.179 3.877 ( 9.830 -2.905 0.932) 10.292 4.294 ( 3.929 2.060 -2.230) 4.965 4.604 ( -0.630 1.761 6.086) 6.367 5.190 ( -3.998 2.022 -0.680) 4.531 5.726 ( 8.424 -0.854 0.652) 8.492 6.575 ( -5.959 3.487 -1.720) 7.115 6.822 ( -3.516 -1.885 -1.156) 4.154 7.409 ( 2.638 -3.273 1.498) 4.463 7.890 ( 3.044 1.476 -3.426) 4.815 8.222 ( -8.217 -2.927 1.259) 8.813 11.911 ( 13.565 0.172 -0.365) 13.571 13.637 ( -23.114 0.816 1.439) 23.173 14.097 ( -7.046 -0.747 -0.741) 7.124 14.211 ( -1.290 -8.589 -6.947) 11.122 15.100 ( 13.565 1.308 -0.002) 13.627 15.293 ( 3.023 4.973 4.421) 7.309 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 8.708 4.984 4.159) 10.861 1.338 ( 2.154 9.665 10.184) 14.205 1.529 ( 15.233 -1.356 -2.193) 15.450 2.299 ( -10.214 5.812 -4.129) 12.456 2.359 ( -5.058 -2.179 0.842) 5.571 2.617 ( -2.451 -12.371 -4.674) 13.450 3.054 ( 1.543 3.449 -0.371) 3.797 3.220 ( -0.064 4.720 0.461) 4.743 3.997 ( 5.031 -2.268 3.728) 6.659 4.332 ( 2.299 -0.171 -6.531) 6.926 4.692 ( 4.290 0.739 9.261) 10.233 5.135 ( -4.462 2.572 -1.500) 5.364 5.884 ( 7.924 1.655 2.948) 8.615 6.441 ( -8.634 1.832 -4.950) 10.120 6.822 ( 2.455 2.143 0.537) 3.303 7.413 ( 0.785 -2.697 0.774) 2.914 7.924 ( 3.676 -2.548 -5.893) 7.398 8.032 ( -10.880 -3.465 2.706) 11.735 12.169 ( 16.845 0.055 -0.960) 16.872 13.273 ( -21.693 1.642 0.778) 21.769 13.937 ( -10.046 -1.763 0.182) 10.201 14.028 ( -1.045 -13.016 -10.362) 16.670 15.286 ( 6.057 2.503 1.471) 6.717 15.473 ( 7.076 6.732 5.111) 11.023 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -3.272 14.050 10.010) 17.559 1.571 ( 13.668 1.637 1.185) 13.817 1.724 ( 11.898 -4.624 1.718) 12.880 2.157 ( -10.950 8.445 -6.974) 15.487 2.241 ( -8.236 -3.363 4.441) 9.943 2.439 ( 0.688 -11.022 -6.515) 12.822 3.158 ( 4.999 4.017 0.465) 6.430 3.261 ( 0.460 3.588 -0.555) 3.660 4.042 ( -1.175 -1.394 7.132) 7.362 4.301 ( 0.340 -0.924 -8.135) 8.195 4.851 ( 8.325 -2.155 8.126) 11.831 5.073 ( -5.409 3.955 -1.918) 6.969 6.000 ( -0.042 -1.698 5.733) 5.979 6.363 ( 1.561 7.613 -6.889) 10.385 6.915 ( 3.686 4.165 0.631) 5.597 7.402 ( 0.340 -2.123 0.741) 2.274 7.761 ( -9.480 -9.492 -1.169) 13.467 7.957 ( 0.457 -0.287 -2.641) 2.696 12.447 ( 16.131 0.047 -1.795) 16.231 12.966 ( -17.493 3.068 1.625) 17.834 13.738 ( -11.257 -1.885 1.025) 11.460 13.819 ( -0.260 -13.498 -10.803) 17.291 15.396 ( 3.067 2.522 2.010) 4.451 15.677 ( 5.915 5.682 4.063) 9.153 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -4.444 13.370 9.852) 17.192 1.746 ( 4.730 -0.178 -3.219) 5.724 1.905 ( 13.564 -7.890 7.001) 17.183 2.000 ( -12.340 9.730 -8.586) 17.907 2.117 ( -3.803 -2.937 4.277) 6.433 2.342 ( 2.171 -7.623 -5.744) 9.789 3.270 ( 3.299 2.235 0.714) 4.049 3.298 ( 1.440 1.559 -1.258) 2.468 4.034 ( -3.457 0.326 7.251) 8.039 4.244 ( -0.814 -0.521 -6.299) 6.373 4.997 ( 1.842 -3.370 2.736) 4.715 5.017 ( 0.423 4.643 0.193) 4.666 5.947 ( -2.611 -3.990 2.828) 5.543 6.532 ( 7.094 10.905 -2.611) 13.269 7.008 ( 2.286 2.600 0.573) 3.509 7.388 ( -1.784 -0.926 1.248) 2.366 7.511 ( -6.527 -9.339 -0.367) 11.400 7.940 ( 0.640 -0.937 -3.783) 3.950 12.646 ( 6.448 1.178 -3.626) 7.491 12.787 ( -9.573 3.979 5.795) 11.877 13.568 ( -6.254 -0.691 0.471) 6.309 13.644 ( 1.026 -11.124 -8.416) 13.987 15.465 ( 1.655 1.432 1.213) 2.502 15.817 ( 3.013 3.117 2.540) 5.025 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -0.000 0.000 20.944) 20.944 0.379 ( -0.000 0.000 20.944) 20.944 0.508 ( -0.000 0.000 28.105) 28.105 2.684 ( 0.000 -0.000 -2.713) 2.713 2.684 ( 0.000 -0.000 -2.713) 2.713 2.954 ( 0.000 -0.000 -0.199) 0.199 2.954 ( -0.000 0.000 -0.199) 0.199 3.610 ( 0.000 -0.000 -5.301) 5.301 3.617 ( -0.000 0.000 4.104) 4.104 3.617 ( -0.000 0.000 4.104) 4.104 5.326 ( 0.000 -0.000 -5.503) 5.503 5.550 ( -0.000 0.000 4.302) 4.302 6.331 ( -0.000 0.000 4.030) 4.030 6.715 ( 0.000 -0.000 -1.483) 1.483 6.715 ( 0.000 -0.000 -1.483) 1.483 7.346 ( 0.000 -0.000 -0.433) 0.433 7.346 ( 0.000 0.000 -0.433) 0.433 7.696 ( 0.000 -0.000 -1.273) 1.273 11.691 ( -0.000 0.000 6.888) 6.888 11.691 ( -0.000 0.000 6.888) 6.888 14.183 ( 0.000 -0.000 -3.857) 3.857 14.183 ( 0.000 -0.000 -3.857) 3.857 15.593 ( 0.000 -0.000 -0.481) 0.481 16.107 ( -0.000 0.000 0.609) 0.609 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.228 ( -1.347 1.456 10.923) 11.102 0.700 ( 14.976 -4.313 20.016) 25.368 0.898 ( 8.157 13.576 23.809) 28.596 2.491 ( -6.219 -5.509 -5.653) 10.049 2.778 ( -7.486 -2.703 4.516) 9.151 3.004 ( 14.353 10.751 -11.462) 21.283 3.092 ( 4.940 3.888 -0.018) 6.287 3.403 ( -7.583 -3.317 -0.436) 8.288 3.610 ( -3.996 0.706 5.178) 6.578 3.787 ( 8.291 -1.253 -1.078) 8.455 4.970 ( -19.624 -12.022 13.553) 26.708 5.477 ( -1.387 -0.606 4.447) 4.698 6.337 ( -0.874 0.548 4.117) 4.244 6.658 ( -3.770 -3.452 -1.672) 5.378 6.767 ( 4.023 2.462 -0.295) 4.726 7.335 ( -4.016 4.588 -0.988) 6.177 7.511 ( 6.484 0.483 -2.203) 6.865 7.844 ( 11.461 3.855 -14.389) 18.795 11.720 ( 2.732 1.972 4.901) 5.947 11.875 ( 7.787 3.242 12.596) 15.159 14.092 ( -3.118 -2.611 -7.126) 8.204 14.200 ( -0.479 -0.685 -0.614) 1.037 15.578 ( -0.902 -0.477 -1.001) 1.429 15.968 ( -7.543 -2.840 4.623) 9.292 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 18.733 9.715 -8.808) 22.867 1.038 ( 16.279 -4.304 18.308) 24.874 1.278 ( 5.601 12.802 20.317) 24.658 2.320 ( -4.086 -4.585 -5.696) 8.376 2.629 ( -8.686 -3.190 2.283) 9.531 3.091 ( -7.499 -1.560 -5.014) 9.155 3.199 ( 0.409 7.858 2.055) 8.133 3.354 ( 6.872 1.454 -9.230) 11.599 3.624 ( 1.106 5.318 4.569) 7.097 3.888 ( 7.534 -5.286 2.187) 9.459 4.738 ( -7.181 -5.627 8.820) 12.689 5.465 ( -1.807 -1.137 0.965) 2.343 6.367 ( -0.588 1.390 5.695) 5.892 6.515 ( -6.995 -2.797 -2.832) 8.049 6.884 ( 6.523 2.181 1.885) 7.131 7.288 ( -5.104 3.139 -1.419) 6.157 7.581 ( 1.868 -0.066 2.960) 3.501 7.908 ( 5.716 -0.780 -14.293) 15.413 11.871 ( 7.952 5.024 3.443) 10.016 12.153 ( 10.368 3.865 16.154) 19.580 13.944 ( -4.517 -3.976 -9.950) 11.628 14.138 ( -5.338 -3.497 3.958) 7.509 15.545 ( -1.243 -0.542 -2.063) 2.469 15.890 ( -3.170 0.541 1.003) 3.368 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 21.055 10.659 -11.536) 26.268 1.371 ( 15.225 -3.633 15.538) 22.055 1.572 ( 2.981 10.079 16.495) 19.559 2.193 ( -2.213 -4.142 -5.540) 7.263 2.448 ( -9.706 -2.616 -1.382) 10.147 2.853 ( -13.199 -3.783 -1.130) 13.776 3.267 ( -2.095 6.790 3.371) 7.865 3.376 ( 1.344 -1.520 -6.212) 6.535 3.802 ( 8.424 7.197 -2.100) 11.277 3.987 ( 7.689 -3.627 5.534) 10.144 4.681 ( 0.476 -2.505 1.445) 2.931 5.395 ( -4.311 -2.392 -1.001) 5.031 6.288 ( -8.932 -5.790 1.677) 10.776 6.473 ( 1.050 5.989 1.634) 6.296 7.045 ( 7.331 3.002 3.108) 8.510 7.211 ( -4.672 -0.002 -1.131) 4.807 7.605 ( -2.148 0.320 4.685) 5.164 7.886 ( 3.580 -2.604 -11.124) 11.973 12.115 ( 11.325 6.931 2.765) 13.563 12.473 ( 10.889 3.650 16.277) 19.921 13.750 ( -5.697 -4.387 -11.365) 13.448 14.007 ( -8.818 -5.086 6.973) 12.339 15.506 ( -0.935 -0.351 -2.855) 3.025 15.862 ( -1.390 1.352 -1.554) 2.485 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 20.549 10.363 -11.065) 25.536 1.637 ( 9.955 -3.520 9.608) 14.276 1.768 ( 0.248 6.294 11.532) 13.140 2.094 ( -1.036 -3.517 -4.796) 6.036 2.251 ( -8.186 -1.640 -3.224) 8.950 2.587 ( -14.026 -4.052 2.656) 14.839 3.301 ( -1.812 3.709 -0.219) 4.133 3.336 ( -0.747 -1.042 -0.670) 1.446 3.948 ( 6.268 1.744 -4.687) 8.019 4.149 ( 6.397 1.310 7.186) 9.709 4.708 ( 5.807 -0.010 -5.019) 7.676 5.275 ( -6.008 -2.393 -0.800) 6.517 6.083 ( -8.643 -4.605 -1.100) 9.855 6.582 ( 2.295 5.600 4.069) 7.293 7.109 ( -4.478 0.329 -3.614) 5.764 7.225 ( 7.881 -0.551 5.444) 9.595 7.558 ( -6.212 0.377 1.915) 6.511 7.875 ( 3.486 -1.855 -3.697) 5.409 12.404 ( 11.897 7.197 3.451) 14.327 12.743 ( 7.293 1.015 8.987) 11.618 13.561 ( -4.333 -2.313 -7.087) 8.623 13.833 ( -10.689 -5.753 8.567) 14.858 15.476 ( -0.237 -0.076 -3.075) 3.085 15.845 ( -0.489 1.118 -3.258) 3.479 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 14.693 7.916 -8.917) 18.922 1.690 ( -0.636 -3.585 -4.135) 5.510 1.791 ( -3.701 0.081 -2.277) 4.346 2.078 ( 0.891 1.818 3.482) 4.028 2.161 ( -1.364 -2.043 4.632) 5.243 2.353 ( -9.932 -3.502 4.916) 11.622 3.270 ( 0.072 -1.462 -3.950) 4.212 3.348 ( -0.926 2.102 4.206) 4.793 3.991 ( 0.985 0.633 -7.047) 7.144 4.254 ( 1.479 -1.360 5.689) 6.033 4.832 ( 10.354 3.643 -6.754) 12.887 5.145 ( -6.862 -1.711 0.880) 7.127 5.917 ( -4.589 -2.482 -3.264) 6.154 6.690 ( 0.827 4.063 5.739) 7.080 7.015 ( -1.546 -3.115 -4.365) 5.581 7.355 ( 4.694 -2.258 -0.441) 5.227 7.453 ( -6.783 2.081 3.372) 7.855 7.928 ( 3.456 0.439 3.551) 4.974 12.664 ( 6.829 4.921 6.035) 10.357 12.763 ( -2.491 -5.198 -9.006) 10.692 13.551 ( 3.156 2.220 7.071) 8.055 13.661 ( -8.898 -3.603 8.422) 12.770 15.462 ( 0.652 0.282 -2.967) 3.051 15.827 ( 0.195 0.592 -4.597) 4.639 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -14.068 3.354 -12.361) 19.025 1.569 ( -3.820 -12.576 -9.604) 16.279 1.962 ( 3.077 -0.561 1.480) 3.460 2.008 ( -1.231 1.202 1.671) 2.399 2.201 ( -0.156 7.186 6.067) 9.406 2.372 ( 8.658 -1.059 5.302) 10.207 3.242 ( 1.640 -3.214 -2.844) 4.595 3.384 ( -0.023 2.029 3.301) 3.875 3.910 ( -4.607 0.599 -8.811) 9.960 4.257 ( -1.798 -3.361 3.735) 5.337 4.929 ( -2.372 -2.209 -4.166) 5.279 5.100 ( 4.666 4.671 0.466) 6.619 5.862 ( 2.222 0.857 -5.161) 5.684 6.725 ( -3.456 -1.261 7.068) 7.968 6.971 ( 1.645 0.791 -6.223) 6.485 7.276 ( -3.565 -4.161 -3.033) 6.263 7.486 ( 0.823 1.848 4.767) 5.178 8.032 ( 3.267 2.010 7.054) 8.029 12.503 ( -9.017 -6.142 -16.897) 20.114 12.761 ( -4.978 -3.300 10.975) 12.495 13.597 ( 2.205 -1.014 5.139) 5.683 13.746 ( 4.418 6.521 12.193) 14.515 15.468 ( 1.495 0.669 -2.844) 3.281 15.808 ( 0.737 0.150 -5.754) 5.803 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -18.879 5.706 -15.090) 24.834 1.287 ( -3.689 -17.313 -13.761) 22.421 1.716 ( -16.972 -8.084 13.028) 22.872 2.243 ( 12.168 3.182 -2.915) 12.910 2.303 ( -0.117 6.732 6.456) 9.329 2.606 ( 13.218 4.553 2.883) 14.275 3.223 ( 2.934 -5.906 -2.157) 6.938 3.413 ( -1.406 2.943 0.333) 3.279 3.784 ( -4.941 2.444 -8.770) 10.358 4.168 ( -5.898 -5.901 4.255) 9.365 4.772 ( -7.707 -4.036 -1.616) 8.849 5.267 ( 7.273 4.680 -1.540) 8.784 5.941 ( 7.707 3.993 -5.834) 10.459 6.659 ( -3.642 -5.693 5.829) 8.925 6.963 ( -4.231 6.362 -5.814) 9.601 7.201 ( 2.582 -5.337 -0.797) 5.982 7.532 ( 0.292 0.856 3.130) 3.258 8.146 ( 2.439 2.053 7.160) 7.838 12.181 ( -9.491 -5.658 -17.044) 20.312 12.591 ( -14.740 -8.811 13.297) 21.719 13.742 ( 8.871 2.328 4.687) 10.300 13.947 ( 3.523 6.075 10.350) 12.507 15.490 ( 2.071 1.003 -2.873) 3.681 15.786 ( 1.030 0.030 -6.754) 6.832 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -19.949 5.340 -15.248) 25.671 0.943 ( -5.154 -19.214 -16.960) 26.142 1.416 ( -18.960 -9.063 16.171) 26.517 2.400 ( 3.864 1.621 5.544) 6.949 2.457 ( 7.426 6.499 2.253) 10.122 2.898 ( 12.310 6.213 0.306) 13.793 3.201 ( 3.642 -7.645 -1.045) 8.532 3.381 ( -5.567 6.159 -5.606) 10.018 3.684 ( -3.573 0.081 -8.473) 9.195 4.031 ( -5.877 -5.865 7.319) 11.069 4.602 ( -6.729 -3.806 -0.030) 7.731 5.390 ( 4.130 2.417 -1.533) 5.025 6.101 ( 8.784 5.122 -4.955) 11.311 6.590 ( -1.241 -5.305 4.522) 7.080 6.884 ( -6.862 4.425 -3.747) 8.984 7.233 ( 4.577 -1.691 -0.966) 4.974 7.553 ( -0.112 0.064 2.102) 2.106 8.230 ( 1.362 1.035 4.671) 4.974 11.893 ( -7.567 -4.197 -13.468) 16.008 12.305 ( -16.515 -10.047 12.909) 23.245 13.950 ( 9.021 1.516 5.825) 10.844 14.099 ( 1.711 5.188 7.094) 8.954 15.520 ( 2.264 1.249 -2.927) 3.905 15.763 ( 1.021 0.408 -7.294) 7.377 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -17.578 3.378 -11.460) 21.254 0.541 ( -6.972 -20.188 -18.127) 28.014 1.095 ( -20.776 -9.616 19.340) 29.969 2.525 ( 5.573 1.324 5.440) 7.900 2.678 ( 7.749 7.594 5.953) 12.375 3.053 ( 4.891 -3.761 -6.696) 9.106 3.167 ( -7.041 2.929 -3.031) 8.206 3.356 ( 3.619 5.759 -4.195) 7.992 3.531 ( -5.541 -4.988 -5.936) 9.530 3.973 ( -1.293 -3.691 4.836) 6.220 4.502 ( -3.094 -1.655 8.443) 9.143 5.436 ( 0.748 0.274 -0.456) 0.918 6.242 ( 4.650 3.213 -1.975) 5.988 6.589 ( 3.428 -1.930 1.618) 4.254 6.796 ( -5.027 2.085 -1.911) 5.768 7.287 ( 2.470 1.426 -1.268) 3.122 7.555 ( -0.393 -0.538 1.021) 1.219 8.256 ( -0.067 -0.805 -1.930) 2.092 11.697 ( -4.107 -2.297 -7.444) 8.807 12.020 ( -14.301 -8.971 11.600) 20.484 14.126 ( 6.718 -0.567 5.616) 8.775 14.189 ( 0.113 3.754 3.558) 5.173 15.554 ( 2.041 1.320 -2.350) 3.381 15.749 ( 1.251 1.614 -5.529) 5.894 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 14.535 -8.970 20.735) 26.864 0.548 ( -17.406 -6.036 22.118) 28.786 1.157 ( 2.234 20.839 21.647) 30.131 2.581 ( -3.166 1.544 -10.159) 10.752 2.805 ( 4.642 4.093 2.609) 6.717 2.845 ( -0.072 -1.376 -5.916) 6.074 3.057 ( 0.905 0.509 2.817) 3.002 3.399 ( 0.941 -6.101 -2.604) 6.700 3.601 ( 1.682 -6.176 4.891) 8.056 3.827 ( -3.903 9.913 -0.297) 10.658 5.049 ( -0.862 -17.203 6.345) 18.356 5.502 ( 0.296 -3.539 4.418) 5.668 6.351 ( 1.702 -3.940 4.575) 6.273 6.641 ( -3.885 -2.982 -1.400) 5.094 6.734 ( 2.737 1.931 -0.640) 3.410 7.304 ( 4.931 -2.012 -1.152) 5.449 7.499 ( -3.278 6.030 -2.594) 7.337 7.831 ( -1.435 15.055 -9.586) 17.906 11.691 ( 0.084 -4.209 6.951) 8.127 12.017 ( -0.761 15.307 14.166) 20.870 14.127 ( -0.664 3.142 -8.080) 8.695 14.173 ( -0.268 1.930 -4.048) 4.492 15.565 ( 0.071 -2.491 -1.246) 2.786 15.947 ( 1.142 -13.793 5.028) 14.725 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -3.788 2.781 12.082) 12.963 0.767 ( 18.306 -9.151 20.642) 29.068 1.505 ( 1.906 17.699 18.602) 25.747 2.379 ( -9.560 -1.198 -6.779) 11.781 2.736 ( -6.073 -3.638 0.421) 7.092 3.069 ( 9.264 5.943 -8.089) 13.659 3.087 ( 5.915 -3.782 -2.126) 7.335 3.346 ( -1.375 0.927 -0.477) 1.725 3.622 ( 4.999 -6.157 6.769) 10.427 3.844 ( -3.418 7.252 -0.025) 8.017 4.845 ( -8.074 -10.589 5.800) 14.524 5.479 ( -1.108 -3.290 1.648) 3.843 6.378 ( 3.966 -5.674 4.532) 8.274 6.539 ( -4.737 -3.346 -0.809) 5.856 6.831 ( 4.705 4.987 0.647) 6.887 7.347 ( 0.736 -2.136 -0.592) 2.335 7.510 ( 2.846 2.482 -2.884) 4.752 7.880 ( -2.673 11.559 -8.113) 14.373 11.752 ( 7.014 -3.742 6.591) 10.327 12.281 ( 1.558 17.790 16.483) 24.303 13.998 ( -8.745 2.791 -9.764) 13.401 14.182 ( -0.708 -0.460 -0.177) 0.862 15.523 ( 0.080 -3.748 -2.329) 4.413 15.873 ( 1.229 -9.249 2.482) 9.654 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 13.703 9.463 -3.202) 16.958 1.116 ( 18.278 -7.301 18.291) 26.869 1.775 ( -0.041 13.406 14.975) 20.099 2.188 ( -5.700 -3.581 -6.274) 9.202 2.579 ( -8.834 -1.874 -1.836) 9.215 2.945 ( -5.771 -8.632 -1.914) 10.558 3.254 ( 6.916 2.846 -9.801) 12.328 3.361 ( -0.588 1.663 2.883) 3.380 3.765 ( 8.801 2.608 4.729) 10.326 3.871 ( 1.110 3.517 1.439) 3.959 4.682 ( -4.023 -6.275 1.728) 7.652 5.417 ( -2.455 -3.967 -0.442) 4.686 6.376 ( -3.452 -6.746 -3.817) 8.485 6.449 ( 1.329 -2.615 7.950) 8.474 6.985 ( 6.060 4.851 1.630) 7.931 7.286 ( -5.082 1.568 -2.543) 5.896 7.596 ( 6.430 -1.773 1.568) 6.852 7.866 ( -5.419 8.978 -6.409) 12.290 11.928 ( 12.865 -2.942 5.999) 14.496 12.590 ( 1.968 17.972 16.106) 24.213 13.800 ( -9.514 1.521 -10.095) 13.955 14.127 ( -5.353 -2.761 4.589) 7.572 15.475 ( 0.535 -3.295 -3.581) 4.895 15.831 ( 1.689 -5.641 -1.202) 6.010 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 18.933 10.063 -8.461) 23.050 1.439 ( 14.976 -5.579 14.247) 21.410 1.906 ( -3.443 1.551 4.548) 5.911 2.072 ( -0.949 1.007 0.168) 1.394 2.386 ( -10.321 0.474 -4.625) 11.320 2.736 ( -8.642 -7.918 1.108) 11.773 3.273 ( 0.828 0.677 -8.518) 8.585 3.377 ( 0.031 -2.116 4.980) 5.411 3.890 ( 1.462 7.231 -3.561) 8.192 4.056 ( 11.110 1.801 7.132) 13.324 4.604 ( 1.361 -3.694 -3.500) 5.268 5.322 ( -3.638 -3.548 -0.919) 5.164 6.190 ( -8.752 -3.194 -3.536) 9.965 6.530 ( 6.399 -5.627 7.610) 11.425 7.072 ( 1.746 -6.158 -1.918) 6.682 7.251 ( -2.293 11.360 -1.218) 11.653 7.690 ( 2.042 -1.288 7.186) 7.581 7.814 ( -3.983 6.658 -5.429) 9.469 12.188 ( 16.428 -2.401 5.695) 17.552 12.840 ( -1.829 13.665 8.796) 16.354 13.626 ( -6.701 3.466 -4.727) 8.903 14.008 ( -9.024 -3.964 7.800) 12.569 15.437 ( 1.007 -2.379 -4.074) 4.824 15.798 ( 1.824 -4.067 -4.110) 6.063 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 19.709 8.817 -9.420) 23.556 1.609 ( 2.675 -6.693 0.266) 7.213 1.808 ( -0.249 -6.656 -0.328) 6.668 2.128 ( -1.647 2.257 3.504) 4.482 2.240 ( -5.303 6.469 0.332) 8.372 2.519 ( -10.180 -6.736 3.922) 12.822 3.221 ( -0.635 -1.923 -5.931) 6.267 3.387 ( 0.626 -2.653 5.035) 5.726 3.951 ( 1.157 5.466 -6.321) 8.436 4.236 ( 3.582 -0.802 5.958) 6.998 4.650 ( 9.463 1.766 -6.240) 11.472 5.221 ( -4.359 -2.563 -0.175) 5.060 5.997 ( -8.430 -0.635 -4.546) 9.598 6.634 ( 7.329 -7.831 8.658) 13.785 6.967 ( -1.893 -6.164 -4.760) 8.014 7.342 ( 0.131 8.986 -3.082) 9.500 7.658 ( -9.374 3.256 5.722) 11.455 7.878 ( 5.527 2.257 3.030) 6.696 12.481 ( 16.259 -2.503 4.945) 17.178 12.828 ( -9.693 3.352 -5.601) 11.686 13.642 ( -1.346 9.033 7.379) 11.741 13.856 ( -9.977 -2.543 10.156) 14.462 15.415 ( 1.611 -1.584 -4.045) 4.633 15.764 ( 2.041 -3.295 -6.064) 7.197 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -3.747 -13.556 -11.130) 17.936 1.631 ( 2.768 4.528 -7.134) 8.891 1.754 ( 5.338 4.833 -8.622) 11.233 2.130 ( -0.381 -4.792 7.605) 8.996 2.288 ( -3.864 1.371 4.596) 6.159 2.370 ( -2.143 3.777 7.588) 8.743 3.154 ( 0.495 -4.969 -4.487) 6.713 3.410 ( 1.068 -1.682 5.107) 5.482 3.938 ( -2.614 3.465 -8.088) 9.179 4.266 ( -0.360 -1.995 2.927) 3.561 4.821 ( 9.068 3.250 -7.220) 12.038 5.134 ( -3.195 -1.076 1.853) 3.847 5.866 ( -3.955 2.932 -5.458) 7.350 6.683 ( 3.081 -13.647 8.137) 16.185 6.902 ( 3.156 -0.264 -3.704) 4.873 7.353 ( -5.280 7.019 -6.388) 10.861 7.579 ( -5.879 0.724 7.536) 9.585 8.024 ( 4.961 2.781 5.807) 8.128 12.534 ( -9.931 -1.380 -15.395) 18.372 12.767 ( 7.025 -3.697 10.660) 13.291 13.631 ( -6.688 -3.618 7.649) 10.785 13.903 ( -0.222 12.095 12.624) 17.485 15.412 ( 2.346 -0.898 -4.041) 4.758 15.733 ( 2.266 -2.507 -6.933) 7.713 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -5.411 -16.383 -13.085) 21.655 1.420 ( -16.281 5.857 -12.996) 21.640 1.946 ( -5.218 -5.062 5.816) 9.310 2.049 ( 7.087 2.348 -1.279) 7.575 2.341 ( 5.925 -0.469 4.583) 7.506 2.534 ( 4.702 9.847 8.622) 13.907 3.087 ( 1.921 -7.752 -3.972) 8.919 3.448 ( 0.981 -0.656 4.588) 4.738 3.857 ( -5.023 4.815 -9.104) 11.459 4.219 ( -3.961 -4.127 2.586) 6.278 4.824 ( -3.805 -1.499 -6.544) 7.717 5.183 ( 5.948 3.012 0.415) 6.680 5.873 ( 2.775 6.874 -5.154) 9.028 6.600 ( 0.379 -13.632 4.521) 14.367 6.998 ( 6.956 0.828 0.739) 7.044 7.241 ( -10.677 5.798 -3.730) 12.709 7.561 ( -1.125 -1.264 4.910) 5.194 8.152 ( 3.459 1.886 4.835) 6.237 12.226 ( -12.179 -1.409 -15.125) 19.469 12.802 ( -7.234 -6.948 13.237) 16.608 13.613 ( 5.280 -3.430 6.134) 8.790 14.089 ( -0.154 10.736 9.914) 14.614 15.428 ( 2.996 -0.023 -4.231) 5.184 15.712 ( 2.208 -1.170 -6.618) 7.074 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -7.415 -15.794 -12.651) 21.552 1.100 ( -19.333 8.021 -15.365) 25.965 1.716 ( -15.618 -8.278 13.673) 22.347 2.241 ( 10.375 -0.503 -1.586) 10.507 2.493 ( 6.670 5.006 3.291) 8.965 2.795 ( 8.155 9.054 7.386) 14.249 3.030 ( 4.200 -8.736 -3.137) 10.188 3.471 ( -1.020 0.187 2.945) 3.122 3.759 ( -6.684 7.287 -11.626) 15.262 4.091 ( -6.063 -7.367 4.269) 10.453 4.679 ( -6.303 -2.259 -2.677) 7.211 5.317 ( 6.064 2.784 -1.927) 6.945 6.012 ( 6.713 9.300 -3.967) 12.136 6.516 ( 1.508 -11.258 3.782) 11.971 7.077 ( -7.251 -0.972 -1.398) 7.449 7.139 ( 2.376 6.113 2.046) 6.871 7.560 ( 0.045 -1.772 2.355) 2.948 8.226 ( 1.867 -0.296 1.605) 2.480 11.944 ( -10.432 0.314 -11.823) 15.771 12.587 ( -16.750 -8.460 13.689) 23.228 13.776 ( 11.735 -3.388 5.861) 13.548 14.208 ( -0.744 5.643 5.168) 7.688 15.462 ( 3.216 1.386 -4.103) 5.394 15.708 ( 1.728 1.026 -5.173) 5.550 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -9.270 -6.490 -4.541) 12.193 0.750 ( -20.851 9.309 -15.632) 27.673 1.444 ( -17.722 -8.398 16.965) 25.931 2.372 ( 8.728 -4.004 0.339) 9.609 2.681 ( 7.227 3.471 0.818) 8.059 2.939 ( 1.959 -0.115 1.591) 2.527 3.137 ( 10.300 2.992 3.865) 11.401 3.447 ( -3.747 1.649 1.541) 4.374 3.609 ( -10.969 7.383 -13.733) 19.064 3.959 ( -2.688 -8.805 3.768) 9.947 4.578 ( -2.934 -1.410 4.390) 5.465 5.407 ( 3.274 1.464 -1.206) 3.784 6.197 ( 5.633 8.434 -1.630) 10.273 6.490 ( 4.212 -6.590 2.130) 8.106 6.926 ( -8.482 -0.105 0.330) 8.489 7.258 ( 3.530 3.860 1.685) 5.496 7.554 ( 0.087 -1.534 0.742) 1.706 8.220 ( -0.132 -3.057 -4.267) 5.251 11.755 ( -7.327 3.337 -6.393) 10.280 12.286 ( -17.699 -8.272 13.259) 23.611 13.971 ( 10.922 -3.927 5.354) 12.782 14.232 ( -0.626 -1.090 -0.634) 1.408 15.512 ( 2.823 2.419 -2.949) 4.746 15.735 ( 1.420 4.383 -2.438) 5.213 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -2.649 3.942 7.952) 9.262 0.933 ( -18.395 -5.425 19.926) 27.656 1.451 ( 0.718 18.784 19.322) 26.957 2.429 ( 10.113 2.771 -8.443) 13.462 2.710 ( 7.164 -6.153 -0.062) 9.444 2.935 ( -8.301 -4.125 -3.494) 9.906 3.092 ( -3.996 -3.177 0.861) 5.177 3.332 ( 0.183 4.128 -3.999) 5.751 3.558 ( -1.261 -6.331 4.128) 7.663 3.982 ( -2.265 9.742 0.630) 10.021 4.881 ( 7.321 -8.769 7.024) 13.411 5.476 ( 0.865 -3.065 1.276) 3.431 6.299 ( -2.072 -8.545 0.910) 8.840 6.607 ( 7.803 -0.024 1.235) 7.900 6.793 ( -8.328 0.496 0.100) 8.344 7.240 ( 0.737 -1.809 -0.205) 1.964 7.586 ( -2.387 2.401 1.392) 3.660 7.921 ( 0.722 12.935 -11.219) 17.138 11.753 ( -6.933 -3.286 6.593) 10.116 12.309 ( -2.547 18.801 16.373) 25.061 14.018 ( 8.227 3.885 -10.453) 13.858 14.196 ( 0.644 0.465 -0.594) 0.992 15.516 ( -0.037 -4.739 -2.210) 5.229 15.833 ( -0.227 -10.958 3.379) 11.469 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 11.739 -3.931 18.419) 22.193 0.703 ( -15.658 -4.041 19.805) 25.569 1.754 ( 1.203 16.665 16.483) 23.470 2.440 ( -3.966 -4.725 -11.816) 13.329 2.726 ( 3.113 -3.403 -4.606) 6.518 2.904 ( 6.814 2.989 -0.126) 7.442 3.014 ( -1.389 -2.719 -1.375) 3.349 3.344 ( -0.044 -1.648 1.449) 2.195 3.529 ( 2.674 -4.485 3.866) 6.497 4.015 ( -4.772 9.438 0.332) 10.581 4.857 ( -2.388 -10.053 3.343) 10.860 5.450 ( 0.221 -5.257 0.797) 5.321 6.208 ( 3.896 -12.215 -0.153) 12.823 6.646 ( -6.820 1.092 2.287) 7.275 6.794 ( 6.630 4.653 0.822) 8.142 7.264 ( 3.444 -1.142 0.664) 3.689 7.563 ( -3.911 3.773 -0.913) 5.511 7.997 ( -0.824 12.350 -7.152) 14.295 11.695 ( -0.203 -3.991 7.193) 8.229 12.583 ( -1.190 22.085 17.708) 28.333 14.101 ( -0.842 5.428 -10.395) 11.757 14.167 ( -0.949 2.355 -3.763) 4.539 15.435 ( 0.912 -9.253 -1.723) 9.456 15.754 ( 1.535 -11.000 3.625) 11.683 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -3.618 3.009 10.843) 11.820 0.863 ( 16.630 -5.666 19.518) 26.260 1.991 ( -0.934 11.845 12.316) 17.113 2.202 ( -6.135 -7.584 -9.830) 13.849 2.665 ( -4.239 -2.618 -1.693) 5.262 2.903 ( -2.616 -5.519 -4.482) 7.576 3.109 ( 8.422 5.731 -7.577) 12.697 3.337 ( 2.947 -6.273 3.272) 7.665 3.631 ( 8.210 0.283 6.368) 10.394 4.022 ( -5.595 10.049 0.706) 11.523 4.697 ( -5.392 -8.707 0.283) 10.245 5.394 ( -0.691 -5.762 0.046) 5.804 6.184 ( 7.108 -12.747 -0.128) 14.595 6.554 ( -6.441 0.093 2.838) 7.039 6.945 ( 4.388 4.636 -0.808) 6.434 7.341 ( 3.784 1.444 3.744) 5.516 7.529 ( -2.056 3.178 -2.840) 4.732 8.033 ( -4.352 10.502 -3.625) 11.932 11.758 ( 7.133 -3.891 7.132) 10.812 12.891 ( -1.371 22.777 17.024) 28.469 13.955 ( -11.153 5.359 -10.723) 16.373 14.181 ( -0.617 0.181 0.515) 0.824 15.369 ( 3.169 -8.231 -3.060) 9.336 15.706 ( 2.846 -9.622 0.592) 10.051 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 9.892 8.015 -0.878) 12.762 1.210 ( 16.831 -4.831 17.109) 24.482 1.904 ( -4.917 -11.495 -10.041) 16.035 2.182 ( -1.666 8.085 8.596) 11.918 2.531 ( -8.130 0.880 -3.205) 8.784 2.757 ( -4.659 -7.029 -1.532) 8.571 3.204 ( 4.207 2.731 -7.605) 9.110 3.336 ( 1.346 -6.257 1.861) 6.665 3.860 ( 11.423 1.970 3.678) 12.161 4.051 ( -2.963 10.686 2.970) 11.480 4.543 ( -2.304 -7.088 -2.581) 7.887 5.320 ( -1.619 -4.823 -0.453) 5.107 6.167 ( 3.735 -9.804 -2.364) 10.754 6.480 ( -3.081 -2.363 5.606) 6.819 6.991 ( 0.844 -2.085 -3.113) 3.841 7.423 ( -4.398 11.630 -0.428) 12.441 7.578 ( 8.401 -2.061 3.218) 9.229 8.012 ( -7.577 8.823 -0.821) 11.659 11.938 ( 13.212 -3.581 6.881) 15.321 13.128 ( -6.640 18.519 9.021) 21.643 13.781 ( -8.229 6.961 -4.198) 11.567 14.139 ( -5.165 -2.063 5.196) 7.611 15.340 ( 3.475 -5.053 -4.362) 7.525 15.663 ( 3.552 -8.697 -3.158) 9.911 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 16.312 8.422 -6.684) 19.536 1.483 ( 7.121 -6.151 5.891) 11.102 1.675 ( 2.680 -12.130 -4.182) 13.108 2.217 ( -5.049 1.585 0.554) 5.321 2.429 ( -6.102 8.577 1.627) 10.651 2.598 ( -6.136 -6.796 1.240) 9.240 3.205 ( -2.393 0.879 -6.428) 6.915 3.312 ( 4.308 -7.862 2.961) 9.441 3.986 ( 0.357 5.324 -3.780) 6.540 4.208 ( 4.634 4.972 7.261) 9.946 4.484 ( 5.475 -2.413 -4.818) 7.682 5.243 ( -2.255 -3.592 -0.509) 4.271 6.077 ( -3.790 -3.061 -5.023) 6.998 6.484 ( 3.935 -7.854 8.376) 12.138 6.920 ( -1.938 -4.256 -3.840) 6.051 7.439 ( -2.921 8.697 -4.439) 10.192 7.748 ( 6.397 0.086 7.518) 9.872 7.952 ( -7.927 7.455 1.241) 10.952 12.201 ( 16.589 -3.214 6.239) 18.012 13.061 ( -15.466 7.433 -5.886) 18.141 13.826 ( -2.048 11.920 8.358) 14.701 14.043 ( -7.544 -1.794 8.669) 11.631 15.330 ( 2.913 -2.887 -4.290) 5.935 15.622 ( 4.227 -7.162 -6.198) 10.372 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.655 -11.221 -11.152) 15.833 1.405 ( 14.741 4.263 -7.720) 17.178 1.767 ( 2.921 -0.763 3.489) 4.614 2.110 ( -2.668 -2.107 -1.233) 3.616 2.428 ( -8.418 -5.167 3.105) 10.354 2.500 ( -1.221 10.381 6.494) 12.305 3.098 ( -2.864 -4.894 -4.261) 7.093 3.351 ( 4.856 -5.086 3.057) 7.668 3.984 ( -2.603 4.204 -4.740) 6.849 4.281 ( -0.739 0.936 2.193) 2.497 4.639 ( 11.742 3.433 -4.267) 12.956 5.171 ( -2.417 -2.746 0.381) 3.678 5.955 ( -5.545 2.776 -5.867) 8.537 6.519 ( 4.808 -13.030 8.526) 16.297 6.843 ( 0.197 -1.439 -3.173) 3.490 7.445 ( -1.747 6.278 -5.086) 8.266 7.766 ( -8.660 0.360 6.513) 10.842 8.001 ( 4.137 4.140 3.797) 6.977 12.472 ( 12.644 -1.464 1.003) 12.768 12.795 ( -13.379 1.106 -4.409) 14.130 13.810 ( -10.796 -2.463 8.345) 13.866 14.094 ( -0.298 10.630 10.734) 15.110 15.331 ( 2.758 -1.694 -3.892) 5.062 15.600 ( 4.622 -4.344 -7.112) 9.530 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -5.897 -12.364 -9.472) 16.654 1.640 ( -6.799 5.478 -7.105) 11.256 1.749 ( 11.933 5.484 -9.791) 16.381 2.116 ( 0.200 -5.927 7.792) 9.792 2.280 ( -2.911 -4.119 4.816) 6.974 2.649 ( 1.437 11.059 7.442) 13.407 2.981 ( -0.949 -7.121 -3.896) 8.173 3.405 ( 4.331 -4.100 3.667) 7.001 3.936 ( -4.228 3.949 -4.464) 7.307 4.263 ( -2.926 -0.304 0.337) 2.961 4.783 ( 3.866 2.798 -8.201) 9.488 5.141 ( 1.514 -1.119 2.399) 3.050 5.909 ( -1.390 8.002 -5.134) 9.608 6.473 ( 1.458 -14.542 5.758) 15.708 6.885 ( 5.781 0.196 -0.091) 5.785 7.435 ( -4.129 7.011 -4.453) 9.275 7.638 ( -8.409 -2.972 6.958) 11.312 8.122 ( 4.247 0.930 2.427) 4.979 12.384 ( -14.153 4.326 -13.653) 20.135 12.801 ( 7.322 -6.343 11.993) 15.417 13.646 ( -8.238 -4.274 7.953) 12.222 14.230 ( -0.443 6.170 6.017) 8.630 15.350 ( 3.217 0.172 -3.374) 4.665 15.612 ( 4.256 -0.728 -5.620) 7.087 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -8.283 -4.549 -3.304) 10.011 1.404 ( -17.001 8.262 -12.628) 22.733 1.908 ( -3.647 -5.381 4.829) 8.098 2.067 ( 5.282 0.571 -0.378) 5.326 2.368 ( 9.699 -1.957 4.441) 10.845 2.839 ( 5.295 2.465 3.573) 6.847 2.901 ( 0.239 1.118 0.960) 1.493 3.454 ( 3.135 -3.519 3.032) 5.604 3.871 ( -5.274 4.784 -4.640) 8.499 4.168 ( -6.944 -2.543 0.181) 7.397 4.733 ( -4.275 0.891 -6.961) 8.217 5.227 ( 6.133 1.160 0.299) 6.249 6.006 ( 3.899 11.724 -3.285) 12.785 6.391 ( 1.806 -12.927 4.390) 13.771 6.997 ( 6.134 -0.377 0.644) 6.179 7.369 ( -10.519 6.929 1.244) 12.658 7.547 ( -0.942 -4.782 3.134) 5.795 8.179 ( 2.510 -2.182 -0.807) 3.422 12.115 ( -13.823 5.827 -10.177) 18.127 12.814 ( -7.936 -7.980 13.308) 17.429 13.617 ( 5.151 -3.730 6.212) 8.891 14.257 ( -0.803 -1.665 -0.477) 1.909 15.404 ( 3.426 2.570 -2.452) 4.935 15.661 ( 3.365 2.845 -3.007) 5.335 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -8.255 10.003 8.521) 15.518 1.103 ( -19.715 10.417 -13.909) 26.280 1.720 ( -13.303 -7.722 13.180) 20.256 2.194 ( 8.238 -1.248 -2.929) 8.832 2.539 ( 8.777 -2.973 0.999) 9.320 2.848 ( 6.649 -4.887 -2.493) 8.620 3.106 ( 5.379 10.170 7.602) 13.790 3.467 ( 0.599 -3.312 1.491) 3.681 3.796 ( -6.812 7.262 -5.946) 11.597 3.994 ( -9.009 -4.811 1.171) 10.280 4.636 ( -3.795 0.806 -1.921) 4.329 5.339 ( 5.552 1.164 -0.842) 5.735 6.200 ( 5.300 12.286 -0.815) 13.405 6.350 ( 4.405 -9.670 2.906) 11.016 7.035 ( -2.918 -1.387 1.339) 3.497 7.296 ( -3.463 3.019 3.451) 5.746 7.533 ( 0.994 -1.604 0.905) 2.093 8.151 ( 0.320 -4.793 -5.397) 7.225 11.933 ( -10.487 8.959 -5.192) 14.738 12.588 ( -16.932 -8.174 13.798) 23.322 13.770 ( 11.328 -3.749 4.695) 12.823 14.179 ( -0.422 -7.447 -5.247) 9.119 15.474 ( 2.968 2.862 -2.056) 4.608 15.743 ( 2.638 5.684 -0.575) 6.292 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -15.314 11.548 -5.745) 20.021 1.288 ( -16.086 -4.770 17.236) 24.054 1.715 ( 0.815 15.396 15.847) 22.109 2.257 ( 6.891 0.596 -6.671) 9.610 2.497 ( 8.011 -6.439 -5.874) 11.838 2.866 ( 4.518 -11.119 1.903) 12.152 3.132 ( -5.470 -5.421 1.440) 7.835 3.391 ( 0.789 5.440 -4.190) 6.912 3.635 ( -11.135 0.526 0.461) 11.157 4.094 ( 0.019 8.111 1.961) 8.345 4.757 ( 4.732 -2.094 3.127) 6.046 5.415 ( 2.597 -4.037 -1.009) 4.905 6.263 ( -5.034 -12.181 -3.422) 13.617 6.474 ( 8.759 1.400 5.737) 10.564 6.935 ( -8.124 -1.572 -1.012) 8.336 7.237 ( -0.155 1.320 3.007) 3.288 7.637 ( 0.449 1.390 3.385) 3.687 7.930 ( 3.223 9.909 -9.809) 14.311 11.932 ( -12.645 -2.275 6.308) 14.313 12.641 ( -1.990 19.982 16.149) 25.768 13.823 ( 10.334 2.758 -12.035) 16.101 14.139 ( 6.144 -2.556 5.086) 8.376 15.462 ( -1.243 -4.457 -3.531) 5.820 15.779 ( -2.477 -7.516 -0.336) 7.921 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -2.875 5.696 6.979) 9.456 1.055 ( -17.220 -5.850 18.940) 26.258 1.971 ( 2.106 13.572 12.962) 18.885 2.273 ( 3.285 -10.413 -11.955) 16.191 2.546 ( 9.071 1.032 -10.131) 13.638 2.876 ( 2.908 -4.634 8.611) 10.202 3.016 ( -2.563 -3.350 -1.875) 4.616 3.427 ( -10.082 2.795 -0.077) 10.462 3.473 ( 2.640 -2.229 1.421) 3.736 4.160 ( -1.895 7.849 0.220) 8.078 4.793 ( 1.535 -6.109 1.349) 6.442 5.392 ( 0.714 -5.275 -0.154) 5.325 6.054 ( -1.416 -13.176 -2.027) 13.406 6.700 ( 10.156 4.432 3.891) 11.744 6.780 ( -7.088 -1.908 0.173) 7.343 7.250 ( -0.831 1.258 1.395) 2.054 7.664 ( -2.784 3.701 2.635) 5.328 8.044 ( 3.414 10.809 -7.217) 13.438 11.768 ( -7.559 -3.577 7.242) 11.063 12.933 ( -0.841 23.349 16.966) 28.874 13.980 ( 10.533 6.064 -12.245) 17.253 14.205 ( 0.303 1.110 -0.327) 1.196 15.332 ( -2.643 -10.960 -1.493) 11.373 15.667 ( -0.840 -9.076 1.037) 9.173 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 8.899 -1.017 15.939) 18.283 0.852 ( -12.906 -3.371 16.789) 21.443 2.050 ( -1.394 -17.321 -15.587) 23.343 2.193 ( 0.900 11.311 10.573) 15.510 2.638 ( 3.600 0.630 -5.372) 6.497 2.911 ( -2.253 2.323 -4.214) 5.313 3.024 ( 5.667 1.648 2.700) 6.490 3.242 ( -3.655 -10.062 1.914) 10.875 3.579 ( 4.550 3.173 3.488) 6.552 4.196 ( -3.048 8.143 0.470) 8.708 4.694 ( -4.304 -8.155 -1.330) 9.316 5.344 ( -0.231 -5.448 0.873) 5.522 5.953 ( 4.764 -12.347 -0.741) 13.255 6.665 ( -5.533 -1.083 0.976) 5.722 6.910 ( 5.926 4.877 0.895) 7.727 7.282 ( 3.657 0.240 2.764) 4.590 7.647 ( -5.298 5.440 0.264) 7.598 8.145 ( 0.260 9.720 -3.982) 10.507 11.707 ( -0.404 -3.794 7.465) 8.384 13.251 ( -1.346 24.210 16.293) 29.213 14.088 ( -0.806 6.815 -11.697) 13.561 14.176 ( -1.326 2.952 -3.331) 4.644 15.197 ( 2.207 -13.587 1.192) 13.817 15.582 ( 0.888 -9.642 -0.158) 9.684 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -2.972 2.227 8.366) 9.153 0.997 ( 14.973 -3.918 17.521) 23.378 1.744 ( -2.494 -18.283 -15.402) 24.036 2.334 ( -1.594 7.213 6.445) 9.803 2.616 ( -2.986 0.002 -0.590) 3.044 2.815 ( -7.704 1.458 -4.259) 8.923 3.102 ( 3.479 -1.995 -2.144) 4.547 3.229 ( 6.621 -3.401 -0.646) 7.471 3.728 ( 7.888 1.500 4.430) 9.170 4.231 ( -2.902 8.334 2.114) 9.075 4.517 ( -5.204 -7.099 -2.489) 9.147 5.291 ( -0.879 -4.625 0.681) 4.757 5.943 ( 7.451 -11.467 -0.184) 13.676 6.576 ( -5.252 -0.419 1.677) 5.529 6.970 ( -0.903 0.919 -2.248) 2.591 7.428 ( 9.515 -0.747 4.407) 10.512 7.610 ( -5.755 8.415 -1.280) 10.275 8.187 ( -3.757 8.043 -1.316) 8.974 11.772 ( 7.060 -3.720 7.462) 10.925 13.503 ( -7.434 21.626 8.239) 24.307 13.968 ( -8.398 7.510 -5.720) 12.635 14.199 ( -0.413 0.566 0.909) 1.148 15.164 ( 6.616 -9.470 -0.872) 11.585 15.501 ( 2.053 -10.460 -2.313) 10.908 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 7.619 5.999 -1.253) 9.778 1.314 ( 13.140 -5.155 12.910) 19.129 1.455 ( 0.961 -15.982 -10.902) 19.371 2.329 ( -6.220 1.913 -1.418) 6.660 2.572 ( -3.681 0.290 3.462) 5.061 2.684 ( -6.769 3.680 -1.278) 7.810 3.147 ( 6.340 -4.986 -0.301) 8.071 3.232 ( -2.315 -1.157 -4.227) 4.956 3.909 ( 8.986 0.545 0.451) 9.013 4.306 ( 1.131 7.332 5.119) 9.014 4.383 ( -2.659 -2.777 -2.779) 4.744 5.232 ( -1.413 -3.703 -0.106) 3.965 5.960 ( 6.430 -9.060 -0.994) 11.154 6.500 ( -4.574 -0.691 2.987) 5.506 6.910 ( -2.965 -2.064 -2.617) 4.461 7.508 ( -0.369 0.254 -2.558) 2.597 7.695 ( 5.295 6.798 4.026) 9.511 8.160 ( -7.144 5.919 0.604) 9.297 11.954 ( 13.112 -3.525 7.197) 15.367 13.408 ( -19.304 11.069 -8.785) 23.924 14.024 ( -1.296 11.424 8.949) 14.569 14.171 ( -3.885 -0.774 5.400) 6.698 15.201 ( 6.313 -4.091 -2.916) 8.068 15.428 ( 4.004 -9.903 -4.519) 11.599 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 8.630 0.690 -7.139) 11.221 1.204 ( 2.796 -5.314 -7.777) 9.825 1.641 ( 13.573 -3.973 11.465) 18.206 2.184 ( -8.507 0.837 -6.114) 10.510 2.490 ( -4.668 -4.943 2.357) 7.196 2.688 ( -3.337 10.972 3.396) 11.960 3.087 ( -4.450 -8.345 -2.447) 9.769 3.221 ( 5.247 -2.137 -0.768) 5.718 4.006 ( 2.200 1.050 -1.328) 2.775 4.333 ( -1.225 1.450 -3.005) 3.554 4.484 ( 8.127 5.585 4.288) 10.753 5.172 ( -1.539 -3.123 -0.423) 3.507 5.963 ( 2.579 -3.374 -2.886) 5.134 6.443 ( -2.357 -4.289 4.548) 6.681 6.828 ( -1.925 -1.642 -2.123) 3.303 7.481 ( -1.089 1.659 -3.395) 3.933 7.855 ( 3.670 2.530 4.126) 6.074 8.081 ( -7.230 3.232 1.316) 8.028 12.214 ( 16.094 -3.133 6.091) 17.490 13.090 ( -20.388 6.946 -9.857) 23.687 14.013 ( -9.615 -2.574 8.288) 12.952 14.232 ( 0.343 6.732 6.309) 9.233 15.246 ( 3.627 -0.942 -2.347) 4.422 15.413 ( 6.963 -5.338 -5.314) 10.258 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -4.803 -2.870 -2.005) 5.943 1.436 ( 17.228 6.405 -7.840) 19.982 1.814 ( -0.217 1.804 2.057) 2.744 2.044 ( -0.514 -2.969 -1.464) 3.350 2.367 ( -6.409 -4.434 3.482) 8.536 2.783 ( -1.701 9.867 3.930) 10.756 2.920 ( -1.850 -8.029 -2.318) 8.560 3.285 ( 5.755 -3.628 0.353) 6.813 4.014 ( -2.226 1.889 0.920) 3.061 4.309 ( -1.822 1.858 -3.384) 4.269 4.687 ( 7.068 5.400 -1.645) 9.046 5.123 ( -0.378 -3.021 0.974) 3.197 5.967 ( 0.610 4.451 -3.695) 5.817 6.372 ( -1.457 -9.578 4.394) 10.638 6.818 ( 2.537 0.843 -0.642) 2.749 7.470 ( 0.190 1.194 -2.331) 2.626 7.842 ( -10.014 0.537 4.952) 11.185 8.062 ( 3.044 -0.780 -0.526) 3.186 12.462 ( 9.358 0.401 -0.736) 9.395 12.791 ( -12.805 2.379 -1.773) 13.144 13.839 ( -12.096 -4.711 9.106) 15.856 14.278 ( -0.376 -1.558 -0.388) 1.649 15.293 ( 3.078 1.710 -0.869) 3.627 15.488 ( 7.047 0.972 -3.513) 7.933 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -7.091 7.819 6.103) 12.193 1.679 ( -13.274 7.932 -8.426) 17.610 1.728 ( 14.574 3.746 -8.630) 17.347 2.090 ( 2.471 -5.622 7.012) 9.321 2.263 ( -0.935 -4.261 5.734) 7.205 2.739 ( -0.285 -8.490 -3.398) 9.149 2.980 ( 2.671 9.905 4.670) 11.271 3.347 ( 5.602 -3.809 -0.011) 6.774 3.985 ( -4.828 1.716 3.541) 6.229 4.251 ( -4.292 0.881 -3.967) 5.911 4.764 ( -1.264 5.367 -7.123) 9.008 5.141 ( 4.497 -2.082 2.741) 5.663 6.052 ( 2.863 11.083 -2.489) 11.714 6.273 ( -0.101 -11.711 3.688) 12.278 6.906 ( 5.618 1.779 0.068) 5.894 7.482 ( 1.276 0.189 -0.259) 1.316 7.663 ( -13.121 -1.330 5.105) 14.141 8.089 ( 3.270 -3.961 -2.921) 5.909 12.381 ( -14.312 9.603 -10.013) 19.933 12.812 ( 6.624 -6.588 11.042) 14.464 13.656 ( -8.717 -4.820 8.577) 13.145 14.196 ( -0.444 -8.842 -6.090) 10.745 15.369 ( 3.150 3.227 -0.585) 4.547 15.612 ( 5.436 5.084 -1.066) 7.519 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -6.821 16.038 12.324) 21.345 1.442 ( -17.130 10.215 -11.262) 22.904 1.856 ( -0.447 -4.544 3.001) 5.464 2.069 ( 1.561 -0.150 0.361) 1.609 2.359 ( 9.436 -4.971 4.392) 11.534 2.664 ( 4.728 -7.965 -3.595) 9.935 3.163 ( 3.903 8.728 4.730) 10.667 3.391 ( 4.042 -3.277 -1.641) 5.457 3.931 ( -5.997 0.694 5.932) 8.463 4.135 ( -7.840 2.006 -4.507) 9.263 4.709 ( -4.786 4.781 -6.116) 9.120 5.239 ( 6.399 -0.807 1.048) 6.534 6.202 ( 2.914 -9.880 1.993) 10.491 6.240 ( 4.999 12.978 0.760) 13.929 7.014 ( 4.549 1.568 -0.138) 4.814 7.442 ( -9.032 -6.538 3.643) 11.730 7.525 ( -0.918 2.831 2.933) 4.179 8.052 ( 1.161 -5.734 -6.049) 8.415 12.206 ( -12.583 12.469 -5.233) 18.471 12.814 ( -7.622 -7.736 12.548) 16.595 13.615 ( 4.245 -3.846 5.577) 7.995 14.045 ( 0.362 -11.791 -7.875) 14.183 15.444 ( 2.698 2.795 -1.348) 4.112 15.745 ( 3.795 6.100 0.001) 7.184 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -18.534 12.037 -9.523) 24.064 1.578 ( -12.187 -4.163 13.640) 18.760 1.857 ( 4.287 3.035 5.026) 7.270 2.142 ( 3.405 3.383 -3.460) 5.917 2.288 ( 5.866 -2.101 -5.196) 8.113 2.659 ( 8.575 -11.328 5.080) 15.089 3.184 ( -5.590 -4.934 0.326) 7.463 3.362 ( 2.463 0.124 -0.837) 2.605 3.853 ( -9.526 5.374 -4.846) 11.962 4.190 ( -1.875 5.489 5.672) 8.113 4.704 ( 1.307 1.352 -3.516) 3.987 5.304 ( 4.224 -4.770 -1.213) 6.486 6.141 ( 3.848 -7.649 -5.335) 10.088 6.467 ( -2.915 -2.982 7.862) 8.900 6.998 ( -4.643 -4.924 -2.767) 7.312 7.312 ( -1.902 4.014 5.505) 7.074 7.629 ( 5.575 4.130 1.416) 7.081 7.916 ( 1.859 5.798 -3.928) 7.246 12.197 ( -16.061 -1.715 6.498) 17.411 12.913 ( 2.617 17.255 9.101) 19.683 13.617 ( 7.787 2.479 -7.389) 11.017 14.009 ( 9.799 -4.496 8.539) 13.754 15.430 ( -1.713 -2.797 -3.960) 5.142 15.755 ( -3.387 -5.474 -3.510) 7.332 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -12.554 9.858 -3.581) 16.358 1.381 ( -15.452 -6.152 16.299) 23.287 1.901 ( 7.092 -12.970 -9.812) 17.742 2.233 ( -1.675 8.886 6.330) 11.038 2.364 ( 8.460 4.202 -9.087) 13.107 2.750 ( 9.072 -8.297 8.126) 14.737 3.051 ( -5.104 -2.812 -0.126) 5.829 3.403 ( 3.218 -2.956 0.225) 4.375 3.681 ( -13.505 5.762 -2.204) 14.847 4.244 ( -0.745 5.138 1.600) 5.433 4.714 ( 2.141 -2.887 -2.764) 4.534 5.314 ( 2.913 -4.437 -0.398) 5.323 5.975 ( -4.994 -11.677 -2.864) 13.019 6.591 ( 9.327 2.308 5.942) 11.297 6.854 ( -5.309 -3.953 -1.014) 6.697 7.312 ( -2.835 1.990 0.969) 3.596 7.758 ( -0.311 5.253 5.585) 7.673 8.016 ( 5.700 8.249 -5.970) 11.669 11.958 ( -13.450 -3.313 7.305) 15.660 13.221 ( 4.471 20.695 9.312) 23.130 13.775 ( 10.638 6.403 -8.120) 14.835 14.158 ( 6.261 -2.319 5.960) 8.950 15.303 ( -5.423 -6.827 -3.034) 9.232 15.610 ( -2.858 -8.278 -2.466) 9.098 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -2.097 4.337 6.239) 7.882 1.149 ( -15.465 -6.603 16.599) 23.628 1.737 ( 3.341 -20.104 -16.497) 26.220 2.346 ( -0.190 8.961 7.509) 11.693 2.512 ( 8.079 5.151 -8.456) 12.779 2.882 ( 8.957 -6.631 4.241) 11.924 2.979 ( -2.567 2.989 2.455) 4.642 3.319 ( -8.521 -6.946 -0.492) 11.005 3.593 ( -1.821 6.030 1.121) 6.398 4.282 ( -0.560 3.768 0.265) 3.818 4.665 ( -1.325 -5.243 -3.035) 6.201 5.310 ( 0.717 -3.172 0.896) 3.373 5.797 ( -0.977 -10.837 -0.730) 10.905 6.721 ( -2.777 -3.511 0.630) 4.521 6.839 ( 8.528 4.189 3.351) 10.075 7.286 ( -1.903 1.480 -0.673) 2.503 7.786 ( -4.153 4.253 3.400) 6.848 8.167 ( 4.764 8.642 -4.081) 10.678 11.785 ( -7.766 -3.777 7.500) 11.438 13.555 ( 3.731 21.756 8.425) 23.627 13.975 ( 9.760 7.705 -8.476) 15.048 14.229 ( -0.046 1.473 -0.075) 1.476 15.104 ( -5.499 -11.907 2.451) 13.342 15.480 ( -0.697 -9.332 -2.525) 9.692 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 7.805 -1.977 13.505) 15.723 0.958 ( -10.383 -4.235 12.713) 16.951 1.474 ( 0.669 -19.073 -15.702) 24.714 2.455 ( -1.459 6.735 3.807) 7.873 2.610 ( 4.120 2.504 -4.768) 6.781 2.924 ( -0.115 2.215 -1.609) 2.740 3.032 ( -1.142 -8.689 -1.727) 8.933 3.132 ( -0.982 2.428 5.114) 5.745 3.669 ( 3.792 2.237 1.673) 4.710 4.294 ( -0.352 -1.077 0.934) 1.468 4.557 ( -4.451 -0.879 -2.251) 5.065 5.285 ( -1.431 -2.097 1.328) 2.865 5.727 ( 4.659 -10.018 -0.072) 11.048 6.645 ( -3.217 -1.683 0.946) 3.752 6.991 ( 1.336 2.809 0.479) 3.147 7.306 ( 5.032 -0.389 0.889) 5.125 7.764 ( -4.776 5.207 0.338) 7.074 8.274 ( 0.858 6.999 -2.277) 7.410 11.723 ( -0.364 -3.935 7.573) 8.542 13.840 ( -0.777 21.358 1.416) 21.419 14.104 ( -0.667 7.133 -4.875) 8.665 14.199 ( -1.533 3.285 -3.091) 4.764 14.973 ( 2.529 -13.825 6.935) 15.672 15.368 ( 0.279 -9.525 -2.920) 9.966 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -1.839 0.200 4.557) 4.918 1.105 ( 14.442 -5.502 15.074) 21.588 1.236 ( -0.229 -12.615 -10.559) 16.452 2.444 ( -5.797 3.413 -2.489) 7.173 2.653 ( -1.959 1.924 0.851) 2.875 2.802 ( -6.082 -1.853 -2.705) 6.909 3.015 ( 4.550 -1.857 1.698) 5.199 3.214 ( 1.562 1.098 -1.690) 2.550 3.775 ( 6.696 0.023 1.188) 6.801 4.265 ( 1.015 -5.075 0.835) 5.243 4.513 ( -3.663 6.438 1.304) 7.521 5.238 ( -2.545 -1.627 0.511) 3.063 5.742 ( 7.554 -8.788 0.181) 11.590 6.588 ( -3.675 0.092 1.429) 3.944 6.954 ( -4.970 -0.049 -1.778) 5.279 7.422 ( 6.929 -2.465 1.420) 7.491 7.754 ( -1.809 6.353 -1.317) 6.735 8.300 ( -3.351 4.554 -1.066) 5.754 11.788 ( 7.184 -3.941 7.529) 11.128 13.785 ( -18.130 13.283 -14.937) 26.986 14.188 ( 0.476 9.254 7.698) 12.046 14.219 ( -0.297 0.307 0.795) 0.902 14.997 ( 9.167 -9.392 3.533) 13.592 15.280 ( 1.076 -7.075 -1.990) 7.427 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 6.422 3.482 -3.035) 7.910 1.118 ( -0.584 -1.090 -2.155) 2.485 1.400 ( 16.698 -6.725 13.200) 22.322 2.319 ( -9.160 3.330 -6.250) 11.579 2.551 ( -6.307 -3.427 1.068) 7.257 2.791 ( 2.343 1.946 0.127) 3.048 3.056 ( -1.602 -1.401 0.143) 2.133 3.171 ( -1.386 -1.757 -2.273) 3.190 3.909 ( 8.346 -0.319 -0.085) 8.353 4.269 ( 2.934 -1.407 -1.021) 3.411 4.560 ( -0.959 6.864 5.502) 8.849 5.177 ( -2.722 -1.391 -0.688) 3.134 5.803 ( 8.011 -6.074 0.217) 10.056 6.527 ( -5.590 0.881 1.132) 5.771 6.850 ( -4.007 -1.665 -1.557) 4.610 7.468 ( 1.380 -1.919 -0.730) 2.473 7.821 ( 3.872 3.781 -0.828) 5.475 8.238 ( -7.007 1.628 -0.208) 7.196 11.968 ( 13.093 -3.904 7.128) 15.410 13.466 ( -21.572 10.111 -13.658) 27.461 14.168 ( -6.157 -2.651 6.358) 9.239 14.279 ( 0.372 0.191 -0.161) 0.448 15.117 ( 10.093 -2.744 -0.210) 10.461 15.266 ( 2.895 -1.043 1.057) 3.254 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.583 8.048 3.115) 8.650 1.202 ( 9.797 6.738 -4.366) 12.667 1.675 ( 14.720 -6.773 10.788) 19.466 2.144 ( -10.537 4.318 -8.179) 14.021 2.434 ( -4.507 -3.474 1.376) 5.855 2.833 ( 0.911 -9.446 -0.904) 9.533 2.940 ( -5.221 6.185 0.084) 8.094 3.183 ( 2.944 -0.495 -0.680) 3.062 4.027 ( 4.424 0.753 1.648) 4.781 4.291 ( 1.342 0.312 -4.060) 4.288 4.678 ( 2.873 6.094 6.138) 9.114 5.115 ( -2.092 -1.613 -1.187) 2.896 5.898 ( 7.344 -1.187 0.480) 7.455 6.414 ( -7.579 -1.683 -0.514) 7.780 6.801 ( 0.107 0.327 -0.182) 0.389 7.456 ( 0.198 -1.052 -1.066) 1.510 7.913 ( 4.465 0.359 -0.805) 4.551 8.098 ( -9.448 -1.611 0.238) 9.588 12.220 ( 15.827 -3.614 5.861) 17.260 13.121 ( -20.792 8.689 -10.603) 24.904 14.039 ( -10.088 -4.698 8.849) 14.218 14.207 ( -0.295 -9.377 -6.861) 11.622 15.247 ( 5.599 1.802 -0.342) 5.892 15.380 ( 6.780 4.709 2.316) 8.574 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -5.011 14.557 10.125) 18.426 1.454 ( 15.520 5.722 -8.410) 18.556 1.875 ( 4.498 -0.965 5.420) 7.110 1.972 ( -4.492 0.880 -5.486) 7.145 2.336 ( -5.190 -3.215 3.353) 6.965 2.648 ( -3.258 -12.457 -3.121) 13.249 3.042 ( 3.313 8.424 1.788) 9.227 3.228 ( 3.824 -0.930 -1.211) 4.117 4.087 ( -0.993 1.068 5.456) 5.647 4.263 ( -0.863 -0.319 -6.157) 6.226 4.812 ( 0.970 7.844 0.682) 7.933 5.074 ( 1.049 -3.263 0.885) 3.540 6.043 ( 7.282 3.923 2.561) 8.659 6.254 ( -6.230 -3.572 -2.520) 7.610 6.849 ( 3.409 2.574 -0.052) 4.272 7.453 ( 1.052 -1.530 0.628) 1.960 7.894 ( -12.212 -2.648 2.695) 12.783 7.962 ( 3.999 -3.759 -3.753) 6.649 12.466 ( 11.033 -0.655 1.452) 11.147 12.842 ( -13.661 5.832 -3.808) 15.334 13.852 ( -12.277 -5.628 10.106) 16.868 14.037 ( 0.180 -13.743 -9.882) 16.928 15.345 ( 3.412 3.174 0.019) 4.660 15.569 ( 6.533 7.001 1.423) 9.681 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -5.733 16.415 11.785) 21.006 1.679 ( 7.696 3.941 -9.904) 13.147 1.759 ( -9.448 8.218 -6.281) 14.009 2.064 ( 6.615 -5.084 5.716) 10.113 2.246 ( -2.377 -5.177 6.789) 8.862 2.494 ( 1.821 -10.593 -4.988) 11.850 3.195 ( 4.149 6.570 2.102) 8.049 3.277 ( 4.083 -1.052 -1.997) 4.665 4.078 ( -5.295 -0.158 7.844) 9.465 4.199 ( -1.814 0.850 -6.768) 7.058 4.830 ( -6.015 8.580 -5.195) 11.696 5.123 ( 6.338 -3.397 3.156) 7.853 6.098 ( -0.887 -9.398 1.707) 9.593 6.280 ( 6.406 13.235 0.157) 14.704 6.945 ( 4.766 2.849 -1.472) 5.745 7.458 ( 0.021 -3.381 3.092) 4.581 7.669 ( -10.025 -5.280 2.164) 11.535 7.946 ( 0.979 -3.370 -4.111) 5.405 12.498 ( -9.299 10.975 -5.256) 15.315 12.810 ( 4.689 -4.392 6.375) 9.051 13.665 ( -9.165 -5.296 9.561) 14.264 13.851 ( 1.335 -14.131 -8.903) 16.755 15.423 ( 2.346 2.968 -0.749) 3.857 15.735 ( 4.533 6.210 0.109) 7.689 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -18.856 10.522 -9.983) 23.789 1.670 ( 6.105 -12.321 -9.695) 16.825 1.765 ( -5.170 -2.319 7.773) 9.619 2.103 ( 4.532 4.051 -5.183) 7.989 2.282 ( 1.379 7.118 8.348) 11.057 2.436 ( 8.187 -10.171 6.132) 14.425 3.218 ( -3.662 -2.850 -2.580) 5.309 3.331 ( 0.032 -2.427 2.467) 3.461 3.951 ( -1.432 3.393 -7.658) 8.497 4.314 ( -1.153 2.587 7.548) 8.062 4.722 ( -5.780 4.556 -8.084) 10.932 5.177 ( 4.614 -5.064 0.156) 6.852 5.972 ( 5.890 -2.165 -4.887) 7.954 6.554 ( -6.965 -7.094 6.481) 11.868 6.987 ( -1.725 -3.825 -3.003) 5.160 7.401 ( -2.395 -1.320 4.003) 4.848 7.560 ( 9.959 10.318 -1.091) 14.382 7.951 ( -1.303 2.629 3.744) 4.757 12.495 ( -15.549 -1.909 6.434) 16.935 12.901 ( 11.862 5.826 -7.705) 15.297 13.617 ( -0.360 9.288 7.993) 12.259 13.834 ( 11.330 -4.965 9.716) 15.730 15.417 ( -1.845 -1.393 -3.815) 4.461 15.741 ( -3.538 -3.839 -5.823) 7.821 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -16.705 9.397 -8.171) 20.835 1.559 ( 5.571 -16.849 -12.651) 21.794 1.646 ( -11.206 -5.285 11.669) 17.019 2.224 ( 7.949 5.370 -8.271) 12.667 2.396 ( -1.810 7.833 6.313) 10.221 2.552 ( 10.355 -6.797 8.943) 15.278 3.103 ( -4.176 -2.511 -1.044) 4.983 3.322 ( 1.642 -4.655 0.159) 4.939 3.895 ( -6.210 5.231 -4.934) 9.501 4.342 ( -3.705 2.996 6.078) 7.723 4.641 ( -0.408 -0.255 -8.014) 8.028 5.209 ( 4.295 -4.060 0.261) 5.915 5.940 ( -2.706 -5.886 -3.684) 7.452 6.516 ( 4.153 -2.003 6.599) 8.050 6.881 ( -3.743 -4.187 -1.401) 5.789 7.372 ( -2.041 0.630 0.134) 2.140 7.823 ( 6.478 10.208 2.797) 12.410 7.976 ( 0.940 2.085 0.574) 2.359 12.230 ( -16.782 -3.304 7.280) 18.588 13.161 ( 16.854 7.884 -10.430) 21.331 13.793 ( 0.996 13.560 9.693) 16.698 14.032 ( 10.010 -3.953 9.144) 14.122 15.324 ( -4.342 -2.821 -3.447) 6.221 15.576 ( -5.016 -7.073 -5.699) 10.376 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -10.039 6.323 -2.849) 12.202 1.384 ( 1.996 -16.902 -11.024) 20.278 1.437 ( -12.909 -8.214 10.172) 18.374 2.355 ( 7.181 4.408 -6.255) 10.494 2.490 ( 1.260 6.501 3.794) 7.631 2.700 ( 6.987 -4.452 4.700) 9.526 3.059 ( -0.939 2.653 2.844) 4.001 3.284 ( 1.233 -7.473 -1.918) 7.813 3.785 ( -10.359 5.713 -0.611) 11.846 4.329 ( -2.850 0.996 2.420) 3.869 4.599 ( 1.475 -2.487 -5.689) 6.381 5.244 ( 3.693 -2.984 0.130) 4.750 5.778 ( -6.295 -6.285 -0.040) 8.896 6.661 ( 7.394 -2.538 4.013) 8.787 6.801 ( -0.096 0.119 0.262) 0.303 7.341 ( -2.836 2.285 -1.957) 4.134 7.910 ( -3.856 2.147 4.817) 6.533 8.110 ( 8.219 7.073 -3.329) 11.343 11.976 ( -13.682 -3.935 7.442) 16.064 13.478 ( 18.718 9.573 -14.006) 25.262 14.007 ( 1.265 13.337 9.847) 16.626 14.189 ( 6.164 -1.924 6.307) 9.026 15.163 ( -9.058 -4.865 -0.239) 10.285 15.397 ( -2.633 -8.475 -4.643) 10.016 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -1.063 0.608 4.777) 4.932 1.175 ( -10.724 -9.832 8.995) 17.105 1.216 ( -1.279 -10.771 -6.995) 12.907 2.488 ( 7.700 3.771 -5.022) 9.936 2.577 ( -1.716 6.681 1.247) 7.009 2.767 ( 8.019 -7.037 0.368) 10.675 3.079 ( -4.621 1.233 -2.386) 5.345 3.234 ( -0.825 -1.026 6.853) 6.978 3.690 ( -4.521 3.268 -0.469) 5.598 4.289 ( -2.021 -3.571 1.707) 4.444 4.576 ( 0.475 0.412 -3.197) 3.258 5.271 ( 2.276 -1.984 -0.442) 3.052 5.639 ( -3.575 -5.096 1.541) 6.413 6.665 ( -1.043 -3.302 1.483) 3.767 6.941 ( 8.466 2.185 2.996) 9.242 7.294 ( -3.057 2.053 -3.231) 4.899 7.873 ( -3.924 1.085 1.456) 4.324 8.269 ( 5.005 5.596 -2.882) 8.042 11.797 ( -7.720 -4.272 7.447) 11.546 13.789 ( 16.637 10.917 -17.534) 26.522 14.183 ( 0.621 7.090 6.192) 9.434 14.268 ( -0.222 3.800 0.947) 3.922 14.953 ( -8.638 -9.130 7.673) 14.725 15.275 ( -0.652 -6.460 -2.545) 6.973 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 7.800 -5.463 11.093) 14.620 0.978 ( -8.076 -6.595 8.199) 13.264 1.125 ( 0.522 -0.509 -2.132) 2.253 2.561 ( -4.702 4.502 -3.529) 7.405 2.616 ( 6.052 2.224 -3.089) 7.149 2.808 ( -0.050 -8.078 -3.736) 8.900 2.982 ( 0.154 2.597 0.972) 2.777 3.254 ( -4.124 0.807 6.695) 7.904 3.699 ( 2.968 0.689 -1.111) 3.243 4.230 ( -1.133 -3.627 2.529) 4.565 4.589 ( 0.362 2.709 -0.397) 2.762 5.269 ( -0.616 -0.642 -1.056) 1.381 5.586 ( 1.716 -4.387 1.842) 5.058 6.635 ( -1.210 -0.969 1.929) 2.474 7.034 ( -2.813 0.792 0.761) 3.020 7.290 ( 5.189 -0.634 -1.739) 5.509 7.827 ( -2.798 1.705 -1.614) 3.653 8.346 ( 0.936 3.146 -2.664) 4.227 11.731 ( -0.126 -4.428 7.457) 8.674 13.980 ( 2.247 11.681 -21.407) 24.490 14.196 ( -0.894 1.702 -3.262) 3.787 14.300 ( -1.772 3.000 0.147) 3.488 14.844 ( 0.293 -10.874 15.157) 18.657 15.227 ( 0.195 -1.411 1.513) 2.078 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.367 -1.975 0.208) 2.019 1.130 ( 14.406 -8.747 12.960) 21.260 1.196 ( -0.602 11.086 6.999) 13.124 2.472 ( -7.890 5.133 -6.022) 11.174 2.617 ( -5.472 -8.037 -4.309) 10.635 2.706 ( 3.649 1.092 -1.264) 4.013 3.093 ( 2.618 4.677 1.364) 5.531 3.181 ( -4.327 -4.429 1.809) 6.451 3.766 ( 6.222 -1.795 0.162) 6.478 4.238 ( 1.234 1.159 2.592) 3.096 4.633 ( 1.101 2.423 2.834) 3.887 5.227 ( -3.184 0.651 -1.779) 3.705 5.630 ( 6.177 -2.964 1.942) 7.121 6.621 ( -2.567 1.252 1.971) 3.470 6.919 ( -7.419 -1.495 -1.886) 7.800 7.381 ( 5.949 -2.628 0.160) 6.506 7.803 ( 0.086 1.729 -3.805) 4.181 8.331 ( -3.274 0.645 -1.947) 3.864 11.795 ( 7.382 -4.499 7.322) 11.329 13.802 ( -16.104 9.023 -18.712) 26.285 14.217 ( 0.805 -3.112 -3.887) 5.044 14.234 ( -1.786 -4.082 -3.183) 5.476 14.933 ( 8.556 -3.858 10.793) 14.303 15.272 ( 1.141 3.764 5.100) 6.441 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 9.189 2.588 -6.652) 11.635 1.363 ( -0.469 13.757 11.030) 17.639 1.388 ( 14.388 -6.422 12.270) 19.970 2.325 ( -10.245 5.828 -7.958) 14.221 2.453 ( -2.853 -6.084 -3.973) 7.806 2.737 ( 0.486 -4.791 1.338) 4.998 3.028 ( -3.654 -2.769 -2.507) 5.225 3.191 ( -0.494 4.824 1.609) 5.109 3.890 ( 10.137 -1.960 0.242) 10.328 4.282 ( -0.114 1.491 1.153) 1.888 4.716 ( 3.011 2.239 6.208) 7.254 5.161 ( -4.200 1.776 -2.687) 5.293 5.755 ( 8.556 0.144 2.593) 8.942 6.548 ( -8.847 0.737 -1.566) 9.014 6.811 ( -1.470 -0.983 0.171) 1.777 7.421 ( 2.089 -2.465 -0.094) 3.233 7.815 ( 3.360 -0.972 -4.934) 6.048 8.232 ( -7.035 -1.210 -0.244) 7.143 11.969 ( 13.069 -4.530 6.757) 15.394 13.474 ( -18.900 7.174 -15.759) 25.632 14.047 ( -1.381 -12.682 -10.754) 16.685 14.179 ( -5.604 -3.495 5.968) 8.902 15.135 ( 9.516 2.281 4.096) 10.609 15.388 ( 2.810 6.190 5.826) 8.953 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 14.673 4.815 -9.602) 18.185 1.535 ( -4.886 16.542 11.297) 20.619 1.635 ( 15.461 -9.279 10.058) 20.647 2.164 ( -10.891 7.782 -8.285) 15.742 2.346 ( -0.053 -5.398 -4.860) 7.264 2.605 ( -6.979 -11.228 3.734) 13.738 3.024 ( 4.259 2.585 -3.029) 5.831 3.230 ( -1.004 4.935 1.047) 5.144 4.041 ( 8.396 -0.727 -0.267) 8.432 4.260 ( -2.564 -1.508 -0.368) 2.997 4.846 ( 4.805 1.591 7.741) 9.249 5.091 ( -4.710 3.066 -3.491) 6.616 5.952 ( 9.594 4.007 4.535) 11.344 6.347 ( -10.062 -1.762 -5.393) 11.552 6.838 ( 1.825 2.747 1.294) 3.543 7.423 ( 1.158 -2.129 0.600) 2.497 7.807 ( 2.693 -5.963 -6.946) 9.543 8.087 ( -8.817 -0.998 3.007) 9.369 12.211 ( 15.810 -4.234 5.503) 17.267 13.143 ( -16.981 5.634 -12.626) 21.897 13.830 ( -0.700 -13.654 -11.055) 17.582 14.049 ( -9.903 -5.344 9.508) 14.732 15.311 ( 5.277 4.150 1.338) 6.846 15.552 ( 5.242 6.912 3.608) 9.395 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 14.348 4.615 -9.737) 17.944 1.652 ( -4.635 12.179 8.140) 15.364 1.846 ( 13.453 -8.625 7.477) 17.643 2.011 ( -11.383 9.435 -7.081) 16.393 2.285 ( 1.430 -4.217 -4.103) 6.055 2.392 ( -7.989 -10.053 4.861) 13.730 3.130 ( 6.376 2.685 -3.262) 7.648 3.276 ( -0.001 4.443 2.176) 4.947 4.140 ( 4.268 0.412 -3.537) 5.558 4.177 ( -3.666 -3.498 1.660) 5.332 4.984 ( 5.041 0.211 6.470) 8.205 5.019 ( -5.289 4.064 -4.254) 7.911 6.081 ( -4.731 -5.315 1.096) 7.200 6.270 ( 7.946 10.301 -1.109) 13.056 6.914 ( 2.204 4.513 -0.623) 5.061 7.435 ( 1.813 -2.894 3.101) 4.613 7.677 ( -3.258 -10.311 -7.115) 12.944 7.983 ( -5.731 0.516 4.204) 7.126 12.465 ( 14.155 -2.696 3.617) 14.857 12.883 ( -10.920 3.966 -9.314) 14.891 13.646 ( 0.586 -11.175 -7.699) 13.583 13.866 ( -12.139 -6.016 11.205) 17.581 15.414 ( 2.217 3.666 0.060) 4.285 15.717 ( 4.702 6.035 0.362) 7.659 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 6.137 -16.016 -12.491) 21.217 1.731 ( -10.212 8.247 -7.326) 15.032 1.759 ( 0.122 4.558 -7.035) 8.383 2.098 ( -4.107 -1.756 2.735) 5.237 2.178 ( 11.771 -8.904 10.345) 18.023 2.450 ( -1.311 7.840 6.045) 9.986 3.229 ( -2.337 -1.369 -2.899) 3.968 3.339 ( -2.364 -3.629 1.807) 4.693 3.892 ( 3.989 0.093 -7.615) 8.597 4.342 ( 2.912 0.824 3.708) 4.786 4.884 ( -8.852 6.914 -6.934) 13.200 5.055 ( 3.414 -5.666 2.329) 7.013 5.867 ( 2.796 3.014 -5.377) 6.769 6.616 ( -6.369 -11.319 5.606) 14.146 6.957 ( -0.000 -0.546 -4.472) 4.505 7.384 ( 4.194 0.214 -0.297) 4.210 7.526 ( 4.240 6.200 2.762) 8.003 8.046 ( -2.820 2.213 7.118) 7.969 12.556 ( 10.453 -0.998 -15.372) 18.616 12.807 ( -5.078 -2.741 11.491) 12.858 13.654 ( 6.935 -5.364 8.886) 12.484 13.827 ( -1.162 12.162 10.991) 16.433 15.419 ( -2.204 -0.489 -3.939) 4.541 15.728 ( -3.149 -2.372 -7.222) 8.228 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 5.482 -14.880 -11.865) 19.805 1.439 ( -18.554 7.362 -9.975) 22.315 1.816 ( -4.814 -2.166 7.329) 9.032 2.091 ( 6.220 2.664 -7.317) 9.966 2.339 ( 9.080 -7.567 8.276) 14.429 2.561 ( 0.632 9.582 6.907) 11.829 3.125 ( -3.576 -4.366 -2.624) 6.223 3.270 ( -1.188 -4.737 -0.444) 4.904 3.931 ( 2.147 3.307 -4.555) 6.025 4.412 ( 2.229 0.502 2.788) 3.605 4.718 ( -11.815 3.984 -5.531) 13.640 5.098 ( 4.977 -3.667 1.169) 6.292 5.906 ( 0.918 1.704 -4.508) 4.906 6.478 ( -0.703 -8.072 5.542) 9.817 6.890 ( -2.768 -2.895 -2.149) 4.545 7.400 ( -0.700 0.610 0.286) 0.971 7.755 ( 10.903 7.568 -0.255) 13.275 8.049 ( -3.568 0.910 6.084) 7.112 12.506 ( -12.110 -2.164 2.308) 12.516 12.851 ( 13.564 0.797 -7.018) 15.293 13.835 ( 11.782 -4.445 10.115) 16.152 14.012 ( 0.339 12.830 10.131) 16.351 15.342 ( -2.808 -1.388 -3.913) 5.012 15.576 ( -5.891 -4.098 -6.998) 10.023 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.096 -7.618 -8.045) 11.133 1.165 ( -12.407 3.241 -8.705) 15.499 1.666 ( -12.449 -6.654 9.918) 17.252 2.223 ( 8.884 4.218 -7.385) 12.299 2.439 ( 6.173 -4.520 5.002) 9.141 2.715 ( -0.045 8.359 4.964) 9.722 3.053 ( 3.313 -3.825 0.101) 5.061 3.198 ( -1.421 -4.225 -2.035) 4.900 3.949 ( -3.129 4.046 -1.167) 5.246 4.451 ( -2.757 0.788 5.361) 6.079 4.526 ( -5.352 -0.867 -8.311) 9.923 5.152 ( 4.033 -2.263 0.558) 4.658 5.849 ( -5.675 -0.647 -0.773) 5.764 6.518 ( 7.737 -4.186 3.440) 9.445 6.813 ( -1.873 -1.280 -0.656) 2.362 7.394 ( -1.670 2.631 -1.111) 3.308 7.992 ( 8.372 2.296 -0.863) 8.724 8.016 ( -2.260 2.026 3.363) 4.530 12.243 ( -16.709 -4.007 6.844) 18.495 13.117 ( 20.319 4.908 -13.770) 25.031 14.044 ( 10.095 -4.027 9.530) 14.455 14.186 ( 0.926 9.228 6.831) 11.518 15.255 ( -4.150 -0.991 -2.111) 4.760 15.381 ( -7.505 -4.169 -4.635) 9.756 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -8.497 2.169 -2.943) 9.250 1.072 ( 2.060 0.296 -2.055) 2.924 1.413 ( -14.789 -9.092 10.102) 20.086 2.362 ( 7.571 3.496 -5.458) 9.966 2.543 ( 8.171 -3.748 2.252) 9.267 2.729 ( -4.855 4.616 -0.971) 6.769 3.094 ( 0.028 -7.046 -3.628) 7.925 3.209 ( 6.673 5.041 6.659) 10.690 3.866 ( -10.200 2.747 -0.243) 10.566 4.340 ( -6.349 -2.113 1.967) 6.975 4.514 ( 3.718 -0.849 -3.118) 4.926 5.192 ( 3.088 -1.911 -0.268) 3.641 5.732 ( -7.425 0.385 1.344) 7.555 6.612 ( 4.766 -5.039 2.302) 7.308 6.841 ( 5.473 2.354 0.592) 5.987 7.370 ( -3.845 3.553 -2.553) 5.825 7.935 ( -3.661 -3.239 1.540) 5.125 8.186 ( 7.940 3.685 -2.723) 9.167 11.981 ( -13.677 -4.614 7.242) 16.149 13.438 ( 21.080 6.991 -16.817) 27.857 14.191 ( 5.057 -2.648 5.653) 8.034 14.281 ( 1.790 0.194 0.861) 1.996 15.128 ( -10.884 0.095 2.932) 11.272 15.249 ( -2.225 -0.974 0.055) 2.430 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.256 -4.075 3.166) 5.167 1.118 ( -10.491 -8.024 9.671) 16.370 1.196 ( -1.318 10.096 6.548) 12.105 2.480 ( 6.740 1.216 -4.224) 8.047 2.610 ( 3.650 -5.790 -4.737) 8.324 2.720 ( -0.785 7.209 -1.279) 7.364 3.000 ( -1.169 -3.333 -1.363) 3.786 3.380 ( -0.140 1.477 9.737) 9.849 3.704 ( -6.500 0.552 -3.384) 7.349 4.264 ( -2.877 -0.835 3.573) 4.663 4.555 ( 3.630 -0.960 -0.939) 3.871 5.216 ( 2.453 -1.715 -1.507) 3.351 5.641 ( -5.823 2.497 2.137) 6.686 6.631 ( 1.494 -2.665 2.400) 3.885 6.997 ( 7.971 0.618 2.227) 8.299 7.293 ( -6.017 2.608 -4.673) 8.053 7.854 ( -2.109 -3.290 -1.163) 4.078 8.302 ( 4.748 1.614 -3.344) 6.027 11.796 ( -7.535 -4.865 7.276) 11.550 13.736 ( 17.889 6.824 -19.984) 27.676 14.179 ( -0.742 -5.953 -6.402) 8.773 14.295 ( 1.400 -3.069 0.185) 3.378 14.981 ( -10.277 -0.016 11.113) 15.137 15.260 ( -0.454 3.717 4.919) 6.183 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.869 -8.986 5.178) 10.761 0.912 ( 4.933 -10.015 9.298) 14.529 1.420 ( 0.020 19.874 11.980) 23.206 2.498 ( 1.456 -9.317 -6.254) 11.316 2.575 ( -0.874 2.823 -5.497) 6.241 2.724 ( -2.749 6.143 -6.567) 9.403 3.056 ( 6.908 2.004 3.386) 7.950 3.286 ( -11.198 -5.613 7.291) 14.493 3.674 ( 2.643 -1.489 -1.716) 3.486 4.272 ( -0.213 2.629 3.658) 4.510 4.610 ( 3.756 -0.647 1.687) 4.168 5.223 ( 1.320 -0.733 -2.791) 3.173 5.620 ( -2.142 4.153 2.984) 5.544 6.655 ( 1.041 -0.186 3.078) 3.255 7.034 ( -7.100 -1.624 0.261) 7.288 7.246 ( 5.207 -0.370 -3.714) 6.407 7.789 ( -0.774 -2.109 -3.637) 4.275 8.338 ( 0.903 -0.110 -2.961) 3.097 11.728 ( 0.119 -4.945 7.273) 8.796 13.812 ( 2.468 -6.570 -22.441) 23.513 14.117 ( 4.895 0.226 -8.941) 10.195 14.238 ( -4.589 0.779 -4.750) 6.650 14.945 ( -2.762 -0.870 16.911) 17.157 15.344 ( 0.305 5.665 6.711) 8.788 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 3.427 -3.978 -3.768) 6.463 1.072 ( 15.131 -12.350 12.640) 23.264 1.684 ( -2.541 21.231 13.145) 25.099 2.346 ( -0.558 -11.121 -8.944) 14.282 2.495 ( -7.649 5.590 -8.125) 12.481 2.740 ( 0.293 3.918 -1.626) 4.252 3.065 ( -8.829 -7.301 3.626) 12.017 3.227 ( 4.634 4.243 1.858) 6.552 3.713 ( 6.539 -3.848 0.889) 7.639 4.311 ( -0.201 0.734 1.475) 1.660 4.695 ( 4.144 0.481 4.321) 6.006 5.214 ( -0.952 2.161 -3.087) 3.886 5.694 ( 3.170 5.439 4.002) 7.460 6.680 ( -3.543 1.927 2.086) 4.541 6.843 ( -6.902 -3.528 -2.474) 8.137 7.325 ( 5.648 -2.707 -0.778) 6.311 7.740 ( 0.323 -1.813 -5.487) 5.787 8.299 ( -2.926 -1.242 -1.359) 3.457 11.788 ( 7.437 -4.962 7.026) 11.371 13.549 ( -3.829 -13.292 -20.664) 24.866 14.017 ( -10.334 2.755 -11.259) 15.529 14.218 ( 0.977 -0.166 -0.647) 1.183 15.072 ( 5.440 2.417 12.809) 14.124 15.450 ( 1.170 5.519 6.091) 8.302 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 12.422 1.516 -10.165) 16.122 1.306 ( 17.339 -12.163 12.000) 24.343 1.857 ( -6.492 13.490 8.298) 17.117 2.207 ( 2.220 -7.434 -7.971) 11.123 2.362 ( -9.069 7.881 -8.501) 14.718 2.703 ( -8.335 -4.052 7.247) 11.764 2.954 ( 2.046 -0.372 -3.019) 3.665 3.310 ( -0.604 5.219 0.657) 5.295 3.846 ( 11.432 -3.058 1.154) 11.890 4.280 ( -2.201 -3.327 -0.597) 4.033 4.791 ( 4.638 -2.172 4.182) 6.612 5.204 ( -3.413 6.321 -1.547) 7.348 5.882 ( 8.038 7.688 5.247) 12.298 6.490 ( -13.000 -2.323 -5.386) 14.262 6.839 ( 2.907 1.968 2.904) 4.556 7.361 ( 3.030 -3.862 -0.380) 4.923 7.690 ( 0.487 -3.415 -6.532) 7.387 8.210 ( -5.606 -1.472 1.432) 5.970 11.955 ( 12.897 -4.823 6.156) 15.083 13.218 ( -5.097 -13.634 -18.994) 23.930 13.790 ( -10.778 2.296 -9.650) 14.648 14.181 ( -4.978 -3.482 5.811) 8.407 15.277 ( 6.151 5.472 5.795) 10.067 15.567 ( 3.009 5.171 4.322) 7.381 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 16.340 3.970 -12.319) 20.845 1.548 ( 16.460 -10.972 10.638) 22.460 1.809 ( -3.890 -4.129 -4.835) 7.453 2.158 ( -2.667 0.988 -2.409) 3.727 2.291 ( -6.303 11.985 -3.500) 13.986 2.533 ( -10.545 -4.735 8.998) 14.649 3.032 ( 6.061 3.667 -4.004) 8.137 3.345 ( -1.133 4.381 1.807) 4.872 4.008 ( 8.931 -0.966 -1.345) 9.084 4.179 ( -2.460 -6.659 -1.151) 7.192 4.855 ( 5.592 -5.848 1.761) 8.281 5.200 ( -5.443 8.364 0.343) 9.985 6.143 ( 2.728 5.540 6.197) 8.749 6.237 ( -3.331 1.497 -7.024) 7.917 6.938 ( 2.078 5.473 2.003) 6.188 7.356 ( 2.785 -6.947 -0.086) 7.485 7.600 ( -1.996 -4.217 -6.029) 7.624 8.115 ( -5.998 -0.862 4.442) 7.513 12.188 ( 15.778 -4.170 4.127) 16.834 12.907 ( -3.615 -12.449 -15.563) 20.255 13.615 ( -7.195 3.237 -5.435) 9.580 14.060 ( -9.451 -5.374 9.826) 14.654 15.421 ( 2.294 4.668 1.450) 5.399 15.701 ( 4.230 5.329 1.083) 6.890 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 6.875 -16.167 -12.029) 21.292 1.539 ( 15.096 5.955 -11.347) 19.801 1.928 ( 11.195 -10.060 10.715) 18.476 2.085 ( -13.519 8.914 -6.521) 17.456 2.203 ( -7.651 -3.569 6.602) 10.717 2.596 ( -3.366 8.139 4.502) 9.892 3.228 ( -2.365 -5.165 -2.557) 6.230 3.342 ( -1.436 -1.643 -3.141) 3.824 3.778 ( 4.899 1.794 -4.514) 6.899 4.288 ( 5.560 -1.520 3.073) 6.532 4.857 ( 7.387 -1.716 -1.887) 7.814 5.144 ( -9.950 3.079 -0.858) 10.451 5.881 ( -2.579 7.068 -6.028) 9.640 6.614 ( -4.455 -14.296 5.646) 16.003 6.920 ( 1.753 2.447 -6.332) 7.011 7.313 ( 5.633 3.665 -0.399) 6.732 7.542 ( 0.283 0.109 4.168) 4.179 8.156 ( -2.703 1.573 6.674) 7.370 12.232 ( 12.755 -1.511 -15.639) 20.237 12.834 ( 8.919 -6.366 15.872) 19.287 13.643 ( -6.424 -4.114 7.185) 10.479 14.019 ( -0.663 10.722 8.898) 13.949 15.433 ( -2.748 0.152 -4.682) 5.431 15.714 ( -2.420 -1.029 -7.687) 8.124 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 6.646 -9.044 -6.666) 13.054 1.762 ( -9.492 5.320 -9.710) 14.584 1.776 ( 3.294 4.895 -6.053) 8.453 2.067 ( -5.964 -5.110 4.612) 9.108 2.171 ( 9.428 -3.452 8.745) 13.314 2.674 ( -0.126 7.717 4.640) 9.005 3.086 ( -1.747 -10.174 -3.762) 10.988 3.274 ( -3.523 -0.320 -2.693) 4.446 3.882 ( 4.812 4.480 -1.357) 6.713 4.361 ( 3.665 -1.410 0.117) 3.929 4.935 ( -3.592 6.073 -6.273) 9.441 5.002 ( -2.543 -3.905 5.110) 6.916 5.907 ( 0.395 7.828 -5.585) 9.624 6.438 ( -2.789 -12.712 4.927) 13.916 6.895 ( -1.969 -0.516 -3.596) 4.132 7.410 ( 1.649 2.153 -0.153) 2.716 7.641 ( 8.123 1.921 3.064) 8.892 8.149 ( -3.417 0.048 4.618) 5.745 12.389 ( 14.527 3.058 -14.342) 20.642 12.870 ( -7.664 -6.687 14.524) 17.732 13.655 ( 8.320 -5.164 8.420) 12.914 14.167 ( 0.469 8.872 6.297) 10.890 15.352 ( -2.912 -0.422 -5.108) 5.895 15.604 ( -4.558 -0.582 -5.979) 7.541 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 4.443 1.649 0.269) 4.747 1.443 ( -18.340 4.807 -9.546) 21.227 1.840 ( -8.564 -4.757 7.295) 12.214 2.047 ( 9.959 3.057 -7.802) 13.015 2.330 ( 6.715 -2.752 6.207) 9.550 2.805 ( 4.398 6.850 3.730) 8.955 2.941 ( -1.967 -9.208 -2.377) 9.711 3.205 ( -2.392 0.420 -2.174) 3.259 3.986 ( 2.058 3.979 1.174) 4.631 4.389 ( 2.976 -1.995 -3.818) 5.236 4.747 ( -14.767 1.721 0.506) 14.876 5.070 ( 4.912 -0.321 0.756) 4.980 5.937 ( -3.040 5.640 -2.318) 6.814 6.370 ( 4.608 -7.972 2.643) 9.580 6.831 ( -2.247 -0.676 -1.231) 2.650 7.435 ( -0.515 2.716 -0.472) 2.804 7.840 ( 10.743 0.907 1.732) 10.919 8.091 ( -4.205 -2.274 1.559) 5.028 12.482 ( -6.674 -0.032 -1.704) 6.888 12.806 ( 8.265 -0.519 -0.907) 8.330 13.855 ( 12.866 -5.323 9.594) 16.909 14.253 ( 0.585 1.644 0.306) 1.772 15.281 ( -2.501 0.685 -2.693) 3.739 15.486 ( -6.987 2.007 -2.743) 7.769 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.360 10.559 3.995) 11.371 1.147 ( -13.476 4.091 -5.257) 15.032 1.620 ( -13.554 -8.142 7.089) 17.328 2.218 ( 9.647 3.163 -5.288) 11.447 2.418 ( 4.254 -2.143 1.487) 4.990 2.825 ( -1.590 -5.397 -0.938) 5.704 2.960 ( 4.319 2.872 -0.758) 5.242 3.209 ( 2.558 3.294 2.336) 4.780 4.019 ( -4.108 2.556 1.686) 5.124 4.367 ( 1.143 -3.606 -7.863) 8.726 4.546 ( -10.205 0.075 6.368) 12.030 5.140 ( 2.780 0.605 0.179) 2.851 5.886 ( -7.280 4.253 0.461) 8.444 6.443 ( 9.023 -5.497 0.440) 10.575 6.818 ( 0.771 2.151 0.039) 2.285 7.444 ( -1.742 3.642 -1.143) 4.196 7.948 ( -1.865 -6.766 1.396) 7.156 8.057 ( 7.246 1.183 -2.265) 7.684 12.239 ( -16.597 -4.498 6.500) 18.383 13.061 ( 19.357 5.346 -12.040) 23.414 14.061 ( 10.424 -5.118 8.735) 14.531 14.209 ( 0.181 -7.506 -7.058) 10.305 15.252 ( -2.700 2.439 0.984) 3.769 15.388 ( -8.060 5.872 1.838) 10.141 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -8.570 -1.605 -5.007) 10.054 1.292 ( -10.407 -4.955 10.409) 15.531 1.397 ( -2.413 12.591 8.932) 15.625 2.350 ( 6.789 -0.322 -4.153) 7.965 2.455 ( 4.227 -2.584 -4.162) 6.470 2.795 ( 1.107 1.131 0.696) 1.729 2.966 ( -1.727 0.363 -3.965) 4.340 3.373 ( 7.165 2.961 6.019) 9.815 3.880 ( -13.108 -0.376 -1.406) 13.188 4.301 ( 0.062 -2.634 -2.000) 3.308 4.501 ( -0.474 -0.999 5.791) 5.895 5.179 ( 1.064 1.064 -0.332) 1.541 5.808 ( -7.625 5.749 0.861) 9.588 6.535 ( 7.155 -4.847 0.890) 8.688 6.902 ( 5.140 3.470 0.513) 6.222 7.412 ( -5.833 3.578 -2.591) 7.317 7.821 ( -1.884 -8.209 -1.950) 8.645 8.188 ( 7.365 -0.066 -2.054) 7.646 11.971 ( -13.616 -5.105 7.082) 16.174 13.357 ( 18.876 3.821 -16.243) 25.194 14.043 ( -0.120 -11.326 -11.000) 15.788 14.211 ( 6.523 -4.516 6.111) 10.014 15.210 ( -7.384 3.555 3.799) 9.033 15.381 ( -3.745 7.649 6.177) 10.521 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.347 -8.079 2.046) 8.342 1.002 ( -13.251 -12.667 8.598) 20.248 1.682 ( 2.314 20.978 12.028) 24.293 2.334 ( 2.003 -9.787 -7.835) 12.696 2.510 ( 4.781 2.473 -4.678) 7.132 2.841 ( -4.541 9.875 -6.507) 12.668 2.953 ( 6.414 -2.550 2.915) 7.493 3.480 ( -5.293 -3.156 10.565) 12.231 3.639 ( -6.384 -1.543 -5.222) 8.391 4.290 ( 1.522 -2.176 -0.278) 2.670 4.554 ( 3.027 0.124 5.491) 6.271 5.199 ( 0.216 2.022 -0.946) 2.242 5.764 ( -5.728 7.599 1.396) 9.618 6.608 ( 5.184 -2.797 1.908) 6.191 7.032 ( 5.553 0.672 2.049) 5.957 7.270 ( -9.723 1.088 -5.983) 11.468 7.731 ( 0.969 -5.806 -3.012) 6.612 8.270 ( 4.401 -0.989 -2.150) 4.997 11.783 ( -7.354 -5.187 7.183) 11.515 13.473 ( 8.824 -11.475 -20.922) 25.442 13.952 ( 7.214 -0.176 -10.310) 12.585 14.267 ( 0.652 -1.672 1.166) 2.140 15.151 ( -7.962 4.082 9.717) 13.209 15.449 ( -1.357 6.244 6.524) 9.131 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -5.899 -11.157 3.852) 13.195 0.800 ( 10.008 -13.292 10.342) 19.591 1.989 ( 0.964 20.734 11.351) 23.657 2.172 ( -0.678 -13.107 -11.172) 17.235 2.554 ( 0.087 2.392 -6.103) 6.555 2.800 ( -3.715 9.523 -7.000) 12.389 3.130 ( 10.488 1.649 2.713) 10.958 3.251 ( -15.867 -6.964 8.699) 19.389 3.613 ( 2.430 -3.225 0.046) 4.038 4.288 ( 1.877 -3.955 -1.387) 4.592 4.654 ( 3.944 0.761 3.706) 5.465 5.227 ( 0.449 4.293 -0.558) 4.353 5.787 ( -2.326 8.998 2.885) 9.732 6.686 ( 4.748 -0.954 2.917) 5.654 6.964 ( -12.033 -4.336 -2.421) 13.018 7.203 ( 4.863 0.598 -2.751) 5.620 7.685 ( 0.635 -3.151 -3.845) 5.011 8.292 ( 1.032 -1.471 -1.372) 2.261 11.715 ( 0.210 -5.139 7.224) 8.868 13.248 ( 1.771 -20.885 -20.793) 29.524 14.078 ( 6.337 6.302 -10.415) 13.724 14.213 ( -4.691 1.584 -4.193) 6.489 15.166 ( -2.692 3.813 14.403) 15.140 15.525 ( -0.206 4.502 5.497) 7.108 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 6.389 -4.866 -6.171) 10.128 0.969 ( 16.271 -14.288 14.130) 25.856 1.932 ( -2.514 -14.473 -13.070) 19.663 2.228 ( -2.147 15.700 7.470) 17.519 2.496 ( -4.028 5.407 -8.049) 10.500 2.836 ( -0.975 8.184 -1.433) 8.366 2.988 ( -11.540 -6.999 7.359) 15.373 3.318 ( 6.183 3.604 0.265) 7.162 3.654 ( 7.125 -4.571 3.585) 9.193 4.247 ( -0.007 -5.521 -2.955) 6.262 4.713 ( 2.889 -2.668 -0.380) 3.950 5.291 ( 0.078 6.712 0.858) 6.767 5.908 ( 3.000 10.391 4.860) 11.857 6.668 ( -14.378 -3.515 -4.724) 15.537 6.792 ( 6.028 -0.092 3.010) 6.738 7.264 ( 3.453 -2.300 -0.565) 4.187 7.637 ( -0.481 -1.909 -4.404) 4.824 8.265 ( -2.007 -1.554 0.415) 2.572 11.772 ( 7.210 -4.990 6.743) 11.061 12.937 ( 1.003 -21.692 -19.421) 29.132 13.998 ( -12.020 7.073 -10.575) 17.503 14.210 ( 1.488 0.162 -0.494) 1.576 15.300 ( 3.018 5.406 10.999) 12.622 15.599 ( 1.214 3.375 4.290) 5.592 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 15.683 1.621 -13.065) 20.476 1.212 ( 17.856 -13.188 14.054) 26.273 1.661 ( -1.223 -16.939 -15.308) 22.864 2.269 ( -5.544 6.021 -0.240) 8.188 2.493 ( -4.835 9.863 -0.375) 10.991 2.762 ( -11.563 0.446 10.260) 15.465 2.960 ( 4.306 5.473 -3.806) 7.936 3.401 ( 0.467 3.407 0.461) 3.470 3.813 ( 12.087 -3.554 4.398) 13.344 4.134 ( -2.985 -7.414 -5.578) 9.746 4.714 ( 3.880 -5.752 -2.317) 7.315 5.344 ( -2.421 6.307 0.938) 6.820 6.142 ( 8.072 10.560 5.402) 14.347 6.367 ( -13.820 -1.854 -5.561) 15.012 6.932 ( 6.519 2.594 3.316) 7.760 7.254 ( 0.052 -5.284 -1.097) 5.397 7.581 ( -1.440 -1.056 -3.586) 4.006 8.209 ( -3.720 -1.317 3.013) 4.966 11.930 ( 12.353 -4.432 4.628) 13.916 12.648 ( 1.913 -20.044 -15.873) 25.639 13.810 ( -11.228 8.053 -6.856) 15.425 14.185 ( -4.493 -3.160 5.638) 7.871 15.447 ( 1.907 5.115 3.583) 6.530 15.693 ( 3.223 4.052 2.357) 5.689 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 8.186 -10.726 -6.662) 15.048 1.236 ( 18.810 6.985 -14.992) 25.048 1.675 ( 15.107 -10.617 14.989) 23.783 2.288 ( -8.445 -1.852 2.328) 8.953 2.403 ( -10.193 6.592 0.558) 12.152 2.788 ( -8.234 6.737 2.465) 10.921 3.144 ( -2.420 -13.522 -8.088) 15.941 3.340 ( 1.050 4.824 -2.505) 5.536 3.719 ( 4.426 5.077 -3.527) 7.602 4.170 ( 7.306 -4.028 5.431) 9.955 4.701 ( 7.872 -1.745 0.733) 8.096 5.315 ( -6.974 3.035 -1.421) 7.738 6.005 ( -6.498 8.757 -5.883) 12.391 6.572 ( -3.441 -13.812 5.545) 15.276 6.870 ( 3.758 4.280 -5.377) 7.833 7.267 ( 2.510 1.725 -0.891) 3.173 7.563 ( -0.275 -0.920 3.674) 3.798 8.236 ( -1.702 0.264 3.849) 4.217 11.943 ( 10.479 0.100 -11.666) 15.681 12.615 ( 17.933 -7.736 15.619) 25.008 13.823 ( -12.287 -4.390 7.990) 15.300 14.155 ( 0.140 7.347 5.232) 9.021 15.458 ( -3.209 1.049 -5.620) 6.556 15.700 ( -1.603 0.431 -6.943) 7.139 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 7.380 3.080 3.606) 8.772 1.528 ( 16.952 7.423 -12.015) 22.064 1.863 ( 6.275 -8.153 8.258) 13.193 2.152 ( -5.656 2.734 -2.021) 6.599 2.232 ( -13.519 -0.303 4.927) 14.392 2.777 ( -3.083 3.786 0.542) 4.912 2.956 ( 0.709 -10.134 -4.621) 11.160 3.334 ( -3.613 2.119 -2.138) 4.703 3.856 ( 4.948 7.107 -0.166) 8.662 4.261 ( 5.562 -4.262 1.817) 7.239 4.835 ( 8.107 0.638 -0.257) 8.136 5.190 ( -10.215 1.949 -0.335) 10.404 5.987 ( -2.948 11.454 -6.352) 13.425 6.391 ( -3.933 -14.315 5.501) 15.832 6.906 ( -0.955 2.859 -4.412) 5.343 7.358 ( 6.221 1.270 -0.346) 6.358 7.583 ( 1.883 -1.541 5.086) 5.638 8.211 ( -2.553 -1.789 1.517) 3.467 12.108 ( 13.468 5.012 -10.150) 17.593 12.887 ( 9.584 -8.338 16.742) 21.016 13.635 ( -7.124 -5.020 6.806) 11.058 14.231 ( 0.687 1.789 0.414) 1.961 15.382 ( -3.399 2.156 -5.114) 6.508 15.643 ( -2.721 2.172 -4.253) 5.496 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 4.916 11.985 8.722) 15.617 1.719 ( -14.736 1.890 -8.478) 17.106 1.802 ( 13.816 6.257 -7.456) 16.900 2.032 ( -10.982 -4.915 5.811) 13.361 2.227 ( 7.401 -0.847 6.837) 10.111 2.702 ( 1.883 -10.051 -5.921) 11.817 2.957 ( 0.515 4.317 3.954) 5.876 3.263 ( -4.574 1.927 -2.650) 5.627 3.998 ( 3.232 5.381 3.129) 7.014 4.294 ( 3.087 -3.740 -2.296) 5.366 4.968 ( 3.623 4.480 -5.106) 7.698 5.010 ( -9.612 -2.106 4.655) 10.885 6.040 ( -1.428 12.058 -4.909) 13.097 6.254 ( -0.256 -11.651 4.629) 12.540 6.867 ( -2.836 1.317 -1.778) 3.598 7.443 ( 2.268 2.036 -1.841) 3.561 7.687 ( 8.465 -2.526 6.055) 10.710 8.128 ( -3.802 -4.327 -1.347) 5.915 12.352 ( 13.809 8.042 -9.588) 18.636 12.895 ( -8.893 -8.173 13.871) 18.393 13.653 ( 9.415 -5.096 7.914) 13.313 14.202 ( 0.409 -6.284 -6.324) 8.925 15.337 ( -2.898 3.838 -1.583) 5.063 15.600 ( -4.164 4.788 -1.783) 6.591 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 2.577 15.064 8.564) 17.519 1.410 ( -16.623 4.246 -8.171) 19.003 1.804 ( -12.539 -6.840 6.499) 15.693 2.044 ( 11.444 5.006 -6.368) 14.020 2.350 ( 3.703 -1.259 1.867) 4.334 2.635 ( 6.805 -12.209 -1.979) 14.116 3.043 ( -1.043 8.283 1.997) 8.584 3.219 ( -0.574 2.474 -0.892) 2.691 4.094 ( -0.011 3.168 4.346) 5.378 4.263 ( 0.970 -4.710 -5.408) 7.237 4.786 ( -13.216 0.064 3.207) 13.600 5.091 ( 4.867 2.149 -0.916) 5.399 6.066 ( -6.459 8.551 0.359) 10.722 6.238 ( 7.424 -6.267 -1.095) 9.777 6.846 ( -0.993 2.804 0.419) 3.004 7.475 ( 0.816 2.236 -1.779) 2.972 7.842 ( 8.062 -5.611 4.860) 10.959 7.995 ( -3.007 -4.498 -3.948) 6.697 12.479 ( -8.011 0.330 0.705) 8.049 12.805 ( 6.670 1.215 -0.712) 6.817 13.858 ( 13.115 -5.719 9.062) 16.936 14.055 ( -0.273 -12.202 -11.240) 16.593 15.333 ( -2.291 4.100 1.138) 4.833 15.577 ( -5.266 7.502 0.680) 9.191 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -15.543 1.636 -10.151) 18.636 1.490 ( -9.416 -2.256 11.216) 14.817 1.595 ( -1.915 10.038 6.943) 12.354 2.201 ( 6.525 -0.684 -4.897) 8.187 2.361 ( 3.027 -0.842 -5.002) 5.907 2.679 ( 8.020 -6.344 2.967) 10.647 3.061 ( -5.014 8.019 -4.071) 10.296 3.312 ( 6.151 2.817 3.522) 7.628 4.056 ( -8.342 -0.389 -2.121) 8.616 4.207 ( 1.975 -5.685 -1.209) 6.138 4.631 ( -8.307 0.115 7.672) 11.309 5.172 ( 2.483 2.988 -0.882) 3.984 6.020 ( -8.585 8.448 1.127) 12.097 6.328 ( 10.044 -4.721 -2.500) 11.377 6.896 ( 1.590 5.005 1.124) 5.370 7.496 ( -0.645 2.932 -1.619) 3.411 7.749 ( -3.797 -11.604 -3.745) 12.771 8.044 ( 7.883 -1.475 1.462) 8.152 12.226 ( -16.900 -4.829 6.593) 18.772 13.018 ( 14.615 3.044 -11.176) 18.649 13.852 ( 0.291 -12.410 -12.278) 17.460 14.059 ( 10.629 -5.607 8.231) 14.566 15.342 ( -2.730 4.030 2.239) 5.358 15.577 ( -5.303 8.556 2.947) 10.488 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -10.216 -2.944 -6.759) 12.598 1.194 ( -16.643 -11.976 10.200) 22.901 1.859 ( 5.052 14.502 7.823) 17.235 2.158 ( 1.404 -9.092 -7.847) 12.092 2.444 ( 5.179 5.383 -3.890) 8.422 2.801 ( 8.611 -1.745 3.690) 9.530 3.008 ( -6.653 8.636 -6.641) 12.765 3.461 ( 5.957 0.474 3.301) 6.827 3.826 ( -14.374 -3.043 -0.625) 14.706 4.180 ( 2.985 -7.269 -1.332) 7.970 4.598 ( -2.203 0.437 7.758) 8.077 5.229 ( 0.551 4.455 -0.105) 4.490 5.972 ( -8.032 10.014 0.772) 12.860 6.443 ( 9.856 -4.134 -1.607) 10.808 6.992 ( 2.924 4.313 1.261) 5.362 7.419 ( -9.936 -0.398 -4.333) 10.847 7.608 ( 3.300 -7.740 -2.989) 8.929 8.157 ( 6.330 -2.114 1.226) 6.785 11.954 ( -13.543 -5.130 6.826) 16.011 13.100 ( 7.516 -11.413 -17.265) 22.019 13.765 ( 6.948 -0.553 -9.540) 11.815 14.197 ( 6.318 -4.372 5.720) 9.579 15.345 ( -4.187 4.999 3.934) 7.616 15.595 ( -4.210 7.017 4.196) 9.196 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.653 -10.372 2.607) 10.714 0.858 ( -15.308 -13.624 10.926) 23.223 1.948 ( 1.320 -13.164 -11.637) 17.620 2.179 ( 4.793 12.372 5.403) 14.326 2.545 ( 1.541 6.189 -2.791) 6.962 2.923 ( -2.402 3.843 -3.838) 5.938 2.991 ( 6.352 6.530 -1.187) 9.187 3.532 ( -15.982 -4.329 2.633) 16.766 3.544 ( 1.690 -2.588 5.403) 6.225 4.156 ( 4.489 -7.926 -2.875) 9.552 4.629 ( 1.357 -0.528 2.965) 3.303 5.285 ( -0.233 6.103 1.236) 6.231 5.964 ( -5.503 10.882 1.612) 12.300 6.555 ( 8.517 -3.259 -0.798) 9.154 7.050 ( -1.919 -3.605 1.811) 4.467 7.208 ( -6.781 2.218 -5.545) 9.036 7.605 ( 2.766 -3.138 -2.169) 4.712 8.229 ( 3.858 -2.137 0.895) 4.500 11.768 ( -7.174 -5.072 7.105) 11.299 12.888 ( 1.713 -20.942 -18.865) 28.238 13.917 ( 11.123 6.687 -9.001) 15.794 14.248 ( 0.525 -1.491 0.895) 1.817 15.355 ( -4.452 5.560 7.473) 10.323 15.619 ( -2.654 4.392 4.410) 6.766 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -7.736 -12.628 6.065) 16.003 0.660 ( 12.464 -15.204 13.405) 23.795 1.706 ( -1.029 -18.025 -15.804) 23.994 2.425 ( 5.335 12.742 3.164) 14.172 2.543 ( -5.793 5.438 -6.050) 9.987 2.922 ( -0.849 8.714 -2.833) 9.203 3.188 ( 8.661 1.806 0.386) 8.856 3.238 ( -15.130 -4.531 9.711) 18.540 3.566 ( 1.994 -4.068 4.153) 6.146 4.135 ( 3.478 -6.918 -3.944) 8.690 4.641 ( 1.407 -2.324 -3.658) 4.557 5.356 ( 0.379 5.799 1.946) 6.128 6.027 ( -1.326 11.084 3.406) 11.671 6.651 ( 6.788 -3.583 -1.750) 7.872 6.851 ( -10.930 -3.996 -0.384) 11.644 7.219 ( 1.599 2.534 0.181) 3.002 7.598 ( 0.784 -1.725 -2.483) 3.123 8.258 ( 1.189 -1.696 1.077) 2.334 11.703 ( 0.129 -4.971 7.337) 8.864 12.586 ( 1.272 -21.903 -17.886) 28.306 14.092 ( 5.845 6.449 -8.353) 12.063 14.197 ( -4.298 1.753 -3.869) 6.043 15.407 ( -1.406 5.049 9.695) 11.021 15.647 ( -0.845 2.414 4.451) 5.134 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 8.876 -4.865 -7.595) 12.655 0.867 ( 17.558 -15.037 16.953) 28.667 1.393 ( -1.167 -20.659 -17.992) 27.420 2.425 ( -7.931 5.540 -5.672) 11.214 2.623 ( 1.819 9.759 1.177) 9.997 2.945 ( -5.840 -1.583 2.682) 6.618 3.049 ( -6.390 7.212 7.084) 11.960 3.373 ( 6.662 2.637 -0.925) 7.224 3.624 ( 7.664 -5.897 7.652) 12.332 4.066 ( -1.086 -5.966 -7.011) 9.270 4.594 ( 1.340 -4.434 -6.294) 7.815 5.416 ( -0.064 3.493 0.732) 3.570 6.171 ( 3.235 9.066 3.893) 10.383 6.547 ( -10.915 -0.985 -3.922) 11.640 6.820 ( 7.080 -1.387 2.381) 7.598 7.249 ( -0.960 0.384 1.957) 2.213 7.572 ( -0.482 -0.739 -2.322) 2.484 8.252 ( -1.116 -1.077 1.843) 2.409 11.755 ( 6.473 -4.611 5.947) 9.926 12.314 ( 2.811 -19.893 -14.587) 24.828 14.022 ( -9.856 6.554 -7.615) 14.074 14.213 ( 1.504 0.504 -0.183) 1.597 15.499 ( 0.492 4.144 4.808) 6.367 15.703 ( 1.643 2.630 4.412) 5.393 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.000 0.000 20.036) 20.036 0.747 ( -0.000 0.000 20.036) 20.036 1.003 ( -0.000 0.000 27.098) 27.098 2.590 ( 0.000 -0.000 -7.626) 7.626 2.590 ( 0.000 -0.000 -7.626) 7.626 2.994 ( -0.000 0.000 4.932) 4.932 2.994 ( -0.000 0.000 4.932) 4.932 3.474 ( 0.000 -0.000 -9.683) 9.683 3.697 ( -0.000 0.000 4.146) 4.146 3.697 ( -0.000 0.000 4.146) 4.146 5.239 ( 0.000 -0.000 -4.104) 4.104 5.600 ( -0.000 0.000 1.081) 1.081 6.439 ( -0.000 0.000 7.834) 7.834 6.677 ( 0.000 -0.000 -2.571) 2.571 6.677 ( 0.000 -0.000 -2.571) 2.571 7.335 ( 0.000 -0.000 -0.698) 0.698 7.335 ( 0.000 0.000 -0.698) 0.698 7.662 ( 0.000 -0.000 -2.522) 2.522 11.868 ( -0.000 0.000 12.518) 12.518 11.868 ( -0.000 0.000 12.518) 12.518 14.081 ( 0.000 -0.000 -7.467) 7.467 14.081 ( 0.000 -0.000 -7.467) 7.467 15.581 ( 0.000 -0.000 -0.780) 0.780 16.122 ( -0.000 0.000 0.986) 0.986 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -14.950 -5.308 21.405) 26.643 1.048 ( 12.314 -1.704 18.662) 22.423 1.318 ( 7.074 9.001 22.968) 25.663 2.377 ( -6.248 -4.425 -7.243) 10.540 2.749 ( 3.898 3.625 -12.113) 13.231 2.921 ( 0.881 0.652 6.284) 6.379 3.138 ( 3.831 2.550 4.885) 6.711 3.330 ( -6.359 -1.652 -6.895) 9.524 3.692 ( -4.216 2.948 3.526) 6.237 3.797 ( 8.337 -2.598 1.317) 8.831 5.069 ( -10.995 -7.526 0.972) 13.360 5.542 ( -3.544 -1.721 1.863) 4.358 6.441 ( -3.299 1.663 6.820) 7.756 6.620 ( -2.737 -4.642 -2.315) 5.865 6.750 ( 5.856 4.062 -1.234) 7.233 7.312 ( -4.229 4.862 -1.233) 6.560 7.466 ( 11.944 -1.269 -2.774) 12.328 7.687 ( 2.528 2.164 -4.940) 5.956 11.865 ( -0.056 0.285 11.099) 11.103 12.134 ( 9.512 4.516 15.845) 19.025 13.935 ( -4.647 -3.126 -10.224) 11.657 14.145 ( 4.430 2.460 -5.376) 7.388 15.557 ( -1.625 -0.905 -1.346) 2.296 16.027 ( -7.211 -3.337 2.503) 8.331 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 1.044 1.817 11.210) 11.404 1.351 ( 13.320 -2.559 16.416) 21.295 1.631 ( 4.404 8.702 18.930) 21.295 2.211 ( -3.814 -3.848 -6.706) 8.622 2.608 ( -9.548 -2.327 -6.327) 11.688 3.019 ( -2.665 1.744 -1.210) 3.408 3.186 ( 5.081 -4.290 -8.775) 11.010 3.280 ( -0.509 8.187 6.451) 10.436 3.689 ( -1.721 5.039 2.084) 5.718 3.920 ( 9.382 -4.029 1.248) 10.287 4.837 ( -8.197 -7.214 2.778) 11.267 5.472 ( -3.706 -1.903 -0.373) 4.183 6.440 ( -6.084 1.702 -2.658) 6.854 6.503 ( -2.469 -1.952 6.346) 7.084 6.903 ( 7.393 4.215 0.238) 8.513 7.268 ( -3.236 0.414 -0.461) 3.295 7.628 ( 9.286 -0.976 0.145) 9.338 7.695 ( 0.087 2.116 -7.272) 7.574 11.996 ( 5.632 3.408 10.320) 12.241 12.446 ( 10.402 4.138 15.750) 19.323 13.748 ( -5.540 -3.644 -11.390) 13.180 14.179 ( -0.035 -0.451 0.102) 0.463 15.499 ( -2.178 -1.077 -2.769) 3.684 15.903 ( -5.445 -1.499 0.626) 5.682 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 14.594 7.826 -2.267) 16.715 1.624 ( 10.838 -2.854 12.319) 16.654 1.853 ( 1.142 6.084 14.329) 15.609 2.089 ( -1.882 -3.352 -5.971) 7.102 2.365 ( -10.716 -1.541 -7.700) 13.285 2.871 ( -10.519 -4.107 3.254) 11.752 3.202 ( 3.752 0.814 -10.308) 10.999 3.378 ( -0.946 4.055 6.631) 7.830 3.759 ( 3.698 4.627 -3.305) 6.782 4.077 ( 10.344 -0.339 4.485) 11.280 4.685 ( -3.694 -5.433 -0.796) 6.618 5.372 ( -4.808 -2.280 -1.373) 5.496 6.246 ( -9.330 -4.048 -4.780) 11.238 6.572 ( 0.572 5.027 7.448) 9.004 7.052 ( 1.982 7.245 -1.976) 7.767 7.227 ( 3.533 -7.595 2.563) 8.760 7.644 ( -5.165 3.898 -3.690) 7.449 7.768 ( 8.046 -1.545 1.452) 8.321 12.234 ( 9.766 5.450 10.467) 15.318 12.712 ( 7.231 1.610 8.623) 11.368 13.570 ( -4.106 -1.946 -6.989) 8.336 14.132 ( -5.403 -3.509 6.087) 8.863 15.441 ( -1.169 -0.478 -4.207) 4.392 15.818 ( -3.067 -0.145 -3.117) 4.375 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 18.966 9.859 -8.157) 22.879 1.735 ( 0.263 -5.741 0.414) 5.762 1.876 ( -7.143 -0.725 -2.968) 7.769 2.074 ( 0.572 4.937 5.165) 7.168 2.211 ( 0.466 -2.660 0.671) 2.783 2.661 ( -12.010 -4.590 5.324) 13.916 3.199 ( 1.986 -0.034 -7.572) 7.828 3.417 ( -2.467 2.911 6.103) 7.198 3.833 ( 4.632 1.966 -7.688) 9.188 4.282 ( 6.852 0.769 6.951) 9.791 4.605 ( 2.315 -1.348 -6.147) 6.705 5.260 ( -5.162 -1.842 -0.696) 5.525 6.019 ( -8.705 -4.110 -5.251) 10.966 6.686 ( 1.476 5.952 6.258) 8.761 7.038 ( -4.269 1.103 -3.577) 5.678 7.292 ( 8.929 -8.572 1.022) 12.420 7.571 ( -7.345 6.330 1.045) 9.752 7.896 ( 6.165 -0.490 5.113) 8.024 12.541 ( 11.490 6.086 11.743) 17.520 12.745 ( -2.447 -4.123 -8.728) 9.958 13.559 ( 2.778 2.898 6.897) 7.980 14.008 ( -9.601 -5.426 10.162) 14.996 15.404 ( 0.163 0.076 -4.818) 4.821 15.754 ( -1.220 0.391 -6.662) 6.784 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 17.038 9.308 -9.523) 21.625 1.554 ( -9.302 -2.814 -10.087) 14.007 1.670 ( -6.353 -6.271 -10.121) 13.495 2.187 ( 0.095 7.698 7.516) 10.759 2.282 ( 4.800 -5.069 7.925) 10.561 2.457 ( -9.893 -3.643 6.514) 12.393 3.188 ( 2.110 -1.304 -5.043) 5.620 3.435 ( -2.517 2.690 5.014) 6.222 3.842 ( 0.430 0.365 -9.119) 9.136 4.337 ( -0.286 -3.102 2.861) 4.229 4.709 ( 10.006 3.938 -6.327) 12.476 5.159 ( -5.061 -0.896 0.924) 5.222 5.834 ( -4.750 -2.623 -5.553) 7.764 6.804 ( 0.732 7.373 4.422) 8.629 6.937 ( -3.139 -4.579 -2.156) 5.956 7.296 ( 2.120 -7.320 -4.311) 8.755 7.561 ( -3.789 5.180 7.077) 9.554 8.030 ( 5.075 0.825 7.075) 8.746 12.508 ( -8.439 -5.988 -16.888) 19.806 12.854 ( 9.430 3.601 14.411) 17.595 13.732 ( 4.862 1.733 11.515) 12.619 13.850 ( -9.833 -2.457 11.931) 15.654 15.388 ( 1.149 0.455 -5.200) 5.345 15.704 ( 0.236 0.599 -9.083) 9.106 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -16.751 2.991 -12.555) 21.146 1.368 ( -5.083 -15.421 -12.539) 20.515 1.830 ( 18.396 9.402 -9.703) 22.824 2.175 ( -11.947 -6.140 10.455) 17.022 2.325 ( -0.013 7.084 7.532) 10.340 2.477 ( 7.039 -0.515 6.297) 9.459 3.184 ( 3.243 -3.754 -3.601) 6.130 3.439 ( -4.007 4.214 2.041) 6.163 3.753 ( -3.434 -0.850 -8.081) 8.822 4.309 ( -1.221 -3.180 1.894) 3.897 4.810 ( 2.797 -1.292 -7.977) 8.552 5.127 ( 0.823 2.891 2.170) 3.707 5.767 ( 1.952 0.976 -5.113) 5.559 6.825 ( -1.075 -7.319 -2.788) 7.906 6.897 ( -3.906 10.395 4.572) 12.009 7.218 ( 0.561 -6.599 -2.872) 7.219 7.593 ( -1.751 1.602 6.537) 6.955 8.158 ( 3.682 1.200 6.686) 7.727 12.192 ( -9.308 -5.789 -17.023) 20.246 13.027 ( -3.101 -3.967 18.353) 19.031 13.736 ( 0.069 -3.053 9.840) 10.303 13.956 ( 2.740 6.822 10.815) 13.077 15.386 ( 1.846 0.920 -6.548) 6.865 15.666 ( 1.146 0.810 -9.679) 9.780 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -18.454 3.652 -11.996) 22.311 1.032 ( -5.455 -18.553 -14.347) 24.079 1.951 ( -14.059 -7.513 12.909) 20.512 2.156 ( 15.680 7.561 -6.911) 18.730 2.431 ( 0.591 4.629 7.328) 8.688 2.682 ( 9.480 5.450 5.646) 12.306 3.178 ( 4.740 -7.179 -2.699) 9.017 3.381 ( -9.520 8.273 -4.644) 13.440 3.653 ( -1.684 -2.311 -4.968) 5.732 4.241 ( -3.972 -5.086 3.604) 7.392 4.723 ( -3.193 -4.034 -3.652) 6.309 5.236 ( 6.048 3.855 -1.460) 7.319 5.850 ( 7.229 4.809 -4.242) 9.663 6.726 ( -0.375 -8.475 0.015) 8.484 6.913 ( -9.256 11.662 1.352) 14.950 7.184 ( 3.799 -5.334 -0.481) 6.566 7.607 ( -1.302 -0.412 4.648) 4.844 8.246 ( 1.751 0.251 3.985) 4.360 11.903 ( -7.620 -4.502 -13.407) 16.065 12.886 ( -15.760 -10.791 18.993) 26.937 13.882 ( 9.059 0.311 10.298) 13.719 14.108 ( 1.083 5.992 7.503) 9.662 15.389 ( 2.482 1.868 -9.096) 9.612 15.644 ( 1.455 1.209 -7.983) 8.204 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 10.078 -8.852 20.521) 24.516 0.948 ( -12.330 -6.775 22.074) 26.177 1.533 ( 1.781 16.334 20.293) 26.111 2.401 ( -1.322 -1.103 -10.228) 10.372 2.631 ( 2.328 5.863 -12.100) 13.645 2.968 ( -1.061 -4.387 9.482) 10.501 3.099 ( 0.504 -4.162 0.129) 4.195 3.329 ( 1.817 1.013 -2.847) 3.526 3.672 ( 2.609 -5.528 2.501) 6.604 3.838 ( -4.042 8.102 0.797) 9.089 5.082 ( -1.088 -10.231 -0.465) 10.300 5.548 ( 0.265 -4.202 0.562) 4.247 6.435 ( 3.790 -9.543 3.493) 10.846 6.640 ( -5.031 1.092 2.220) 5.606 6.712 ( 2.588 3.643 -1.723) 4.790 7.289 ( 4.457 -1.432 -0.415) 4.699 7.455 ( -5.821 7.239 -2.278) 9.564 7.711 ( 0.960 9.797 -5.001) 11.042 11.869 ( 0.094 -7.491 12.663) 14.714 12.296 ( -0.611 17.297 16.472) 23.893 13.948 ( -0.479 1.946 -11.446) 11.620 14.069 ( 0.147 4.154 -7.479) 8.556 15.542 ( 0.029 -3.293 -1.255) 3.524 16.018 ( 0.569 -10.969 3.145) 11.425 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -13.135 -3.824 20.076) 24.294 1.133 ( 15.615 -8.705 19.789) 26.669 1.822 ( 1.257 13.642 16.697) 21.598 2.231 ( -6.596 -2.283 -9.536) 11.817 2.659 ( -1.715 1.042 -9.707) 9.913 2.963 ( 4.656 -0.919 -5.166) 7.016 3.056 ( 0.031 -6.387 0.526) 6.409 3.391 ( 0.757 3.838 5.497) 6.747 3.715 ( 7.078 -4.750 3.348) 9.158 3.840 ( -4.460 7.849 -0.822) 9.065 4.896 ( -7.012 -10.437 0.933) 12.608 5.491 ( -1.968 -4.119 -0.444) 4.587 6.413 ( 2.993 -10.127 -1.144) 10.621 6.588 ( -3.820 -0.384 6.515) 7.562 6.825 ( 5.723 6.311 -1.364) 8.628 7.330 ( -2.559 0.005 -1.220) 2.835 7.454 ( 5.008 3.346 -2.532) 6.534 7.788 ( -1.769 10.997 -3.171) 11.581 11.925 ( 6.045 -6.544 12.475) 15.329 12.579 ( 0.937 18.452 15.935) 24.398 13.800 ( -8.463 2.673 -11.652) 14.647 14.136 ( 4.628 3.078 -5.017) 7.488 15.483 ( -0.896 -4.794 -1.989) 5.266 15.916 ( -1.723 -9.809 2.281) 10.217 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -0.539 1.864 10.832) 11.005 1.429 ( 14.755 -6.592 16.263) 22.927 1.989 ( -2.857 0.529 1.163) 3.130 2.090 ( -1.817 3.820 3.063) 5.223 2.489 ( -10.112 -0.334 -8.386) 13.141 2.925 ( -0.785 -10.008 -1.838) 10.205 3.065 ( 3.676 4.513 -7.806) 9.737 3.454 ( 0.752 -1.269 5.776) 5.962 3.803 ( -2.369 6.257 -0.916) 6.753 3.916 ( 10.159 2.744 3.753) 11.172 4.696 ( -5.538 -8.803 0.131) 10.401 5.402 ( -3.106 -3.887 -1.089) 5.094 6.298 ( -4.598 -6.399 -4.718) 9.184 6.601 ( 1.926 -3.295 8.539) 9.353 6.984 ( 7.749 2.366 -1.642) 8.267 7.237 ( -7.182 3.763 -2.720) 8.553 7.603 ( 9.210 1.268 0.160) 9.298 7.820 ( -4.962 9.359 0.177) 10.595 12.093 ( 11.844 -5.575 12.290) 17.956 12.830 ( -2.060 16.163 8.647) 18.446 13.635 ( -6.629 4.094 -6.267) 9.999 14.183 ( 0.080 0.195 0.818) 0.844 15.409 ( -0.387 -4.170 -3.463) 5.435 15.808 ( -1.554 -7.224 -1.306) 7.504 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 11.938 6.901 -1.297) 13.850 1.636 ( 5.294 -6.251 4.854) 9.522 1.859 ( 0.819 -8.476 -3.747) 9.303 2.190 ( -1.780 4.350 7.722) 9.040 2.275 ( -8.900 4.589 -5.701) 11.523 2.777 ( -5.687 -9.205 3.161) 11.272 3.110 ( 2.674 3.380 -8.808) 9.806 3.468 ( 1.302 -4.760 4.469) 6.658 3.812 ( -2.179 8.196 -5.000) 9.845 4.178 ( 11.518 3.218 6.060) 13.407 4.546 ( -2.201 -6.020 -2.726) 6.965 5.305 ( -3.524 -3.088 -0.846) 4.761 6.102 ( -8.469 -3.587 -5.877) 10.915 6.677 ( 5.209 -3.929 7.825) 10.188 7.023 ( 1.293 -9.830 -2.728) 10.283 7.207 ( -1.867 11.192 -3.606) 11.906 7.766 ( 1.801 7.909 0.713) 8.143 7.823 ( -0.511 1.512 6.387) 6.583 12.346 ( 15.246 -5.603 11.256) 19.762 12.856 ( -9.588 8.680 -6.504) 14.476 13.650 ( -0.234 9.968 7.715) 12.608 14.147 ( -5.298 -2.798 6.703) 8.990 15.355 ( 0.819 -2.410 -4.708) 5.352 15.708 ( -0.525 -5.254 -5.767) 7.819 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 17.617 8.426 -7.704) 20.993 1.495 ( -3.757 -11.914 -10.807) 16.519 1.778 ( -8.731 -0.427 -5.194) 10.168 2.175 ( 4.851 -3.629 3.774) 7.138 2.328 ( -1.481 9.262 7.732) 12.156 2.603 ( -7.810 -7.602 5.128) 12.045 3.112 ( 0.852 -0.025 -5.760) 5.822 3.476 ( 2.264 -4.626 4.283) 6.699 3.821 ( -1.842 7.384 -7.807) 10.903 4.329 ( 0.447 -2.884 4.215) 5.127 4.549 ( 8.740 2.761 -4.850) 10.370 5.218 ( -3.385 -2.120 0.055) 3.994 5.897 ( -8.169 -0.832 -6.213) 10.297 6.787 ( 6.575 -2.812 6.059) 9.372 6.893 ( -1.729 -10.766 -1.477) 11.003 7.258 ( -1.124 7.781 -5.258) 9.458 7.759 ( -7.851 5.807 5.247) 11.085 7.974 ( 7.388 0.914 6.701) 10.016 12.497 ( -1.970 -3.109 -9.122) 9.837 12.783 ( 5.165 0.824 8.032) 9.585 13.828 ( -0.387 8.913 11.956) 14.918 14.050 ( -7.698 -1.729 10.560) 13.182 15.330 ( 1.554 -1.073 -5.235) 5.565 15.624 ( 1.075 -3.191 -9.367) 9.954 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -4.694 -14.386 -12.196) 19.435 1.488 ( -2.928 5.837 -8.667) 10.852 1.558 ( 5.999 6.472 -12.424) 15.240 2.273 ( 3.956 -5.274 7.634) 10.087 2.387 ( -5.054 -1.525 6.242) 8.175 2.512 ( -0.285 5.657 8.035) 9.830 3.075 ( 0.961 -4.412 -4.183) 6.155 3.505 ( 1.934 -2.779 5.009) 6.046 3.782 ( -4.660 6.085 -9.218) 11.988 4.305 ( -0.686 -2.380 1.547) 2.920 4.686 ( 6.021 2.044 -7.419) 9.770 5.162 ( -1.581 -0.463 1.453) 2.197 5.770 ( -3.235 3.095 -5.012) 6.720 6.751 ( -1.707 -9.189 -2.144) 9.589 6.916 ( 7.802 -4.047 6.205) 10.759 7.252 ( -4.985 7.759 -4.423) 10.228 7.709 ( -5.957 0.792 6.649) 8.962 8.129 ( 5.287 0.656 5.744) 7.835 12.245 ( -11.917 0.195 -16.065) 20.004 13.018 ( 10.530 -5.879 17.052) 20.886 13.808 ( -8.107 -5.590 11.378) 15.048 14.109 ( -0.625 10.023 9.934) 14.126 15.319 ( 1.778 -0.014 -6.413) 6.655 15.577 ( 2.501 -0.499 -10.100) 10.417 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -6.826 -13.494 -10.559) 18.444 1.192 ( -18.658 5.688 -12.086) 22.946 1.872 ( 17.874 6.190 -8.887) 20.900 2.173 ( -9.995 -6.368 9.641) 15.278 2.426 ( 5.306 -1.736 4.764) 7.339 2.694 ( 4.499 10.435 9.046) 14.525 3.016 ( 2.293 -7.847 -3.836) 9.031 3.536 ( 0.176 -1.156 5.067) 5.200 3.681 ( -7.707 7.056 -10.381) 14.729 4.264 ( -2.477 -4.444 2.279) 5.575 4.685 ( -0.018 -0.836 -8.333) 8.375 5.188 ( 2.848 2.152 0.289) 3.581 5.801 ( 3.306 7.360 -2.891) 8.571 6.635 ( -0.149 -9.639 -0.473) 9.652 7.037 ( 7.333 -3.728 2.159) 8.505 7.200 ( -9.063 9.778 0.405) 13.339 7.656 ( -3.339 -2.811 5.142) 6.745 8.223 ( 2.895 -1.422 3.144) 4.504 11.967 ( -11.062 1.575 -12.915) 17.078 13.103 ( -6.068 -10.573 19.490) 22.989 13.763 ( 4.237 -5.626 10.067) 12.286 14.227 ( -0.859 5.975 5.272) 8.015 15.318 ( 2.052 2.698 -8.100) 8.781 15.578 ( 2.836 2.147 -7.727) 8.507 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 9.388 -5.963 20.348) 23.189 1.283 ( -15.586 -4.644 18.991) 25.003 1.776 ( 0.808 14.339 16.910) 22.186 2.272 ( 6.553 0.761 -9.243) 11.356 2.550 ( 2.271 -5.640 -14.054) 15.313 2.995 ( 0.023 -0.010 3.984) 3.984 3.087 ( -5.681 -8.370 -0.270) 10.119 3.313 ( 2.421 5.933 3.236) 7.179 3.608 ( -1.121 -6.493 1.015) 6.667 3.986 ( -2.735 9.472 -0.355) 9.865 4.943 ( 5.816 -7.756 0.945) 9.740 5.485 ( 1.984 -4.214 -0.362) 4.672 6.307 ( -1.136 -12.926 -0.071) 12.976 6.639 ( 6.951 3.384 2.279) 8.060 6.801 ( -7.572 0.746 1.002) 7.674 7.253 ( -0.389 -0.672 1.498) 1.687 7.607 ( -5.585 3.912 0.894) 6.878 7.745 ( 3.510 13.016 -8.414) 15.891 11.926 ( -6.073 -6.087 12.513) 15.182 12.604 ( -1.891 19.543 15.754) 25.173 13.808 ( 8.648 3.078 -12.393) 15.423 14.139 ( -5.058 3.547 -5.490) 8.264 15.480 ( 1.010 -5.249 -1.739) 5.621 15.893 ( 2.460 -11.113 3.125) 11.804 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 11.687 -6.534 20.770) 24.712 1.075 ( -14.624 -6.894 21.124) 26.601 2.025 ( 0.895 12.755 13.542) 18.625 2.206 ( -2.341 -7.049 -14.068) 15.908 2.547 ( 8.080 2.436 -12.192) 14.828 2.904 ( -5.015 -4.692 -6.180) 9.239 3.044 ( 0.171 -0.837 8.202) 8.246 3.400 ( 1.142 -2.247 4.176) 4.877 3.583 ( 5.104 -2.947 2.055) 6.242 4.013 ( -4.550 9.823 -0.813) 10.856 4.876 ( -2.662 -10.455 -0.284) 10.792 5.454 ( 0.196 -5.264 -0.409) 5.283 6.207 ( 4.652 -13.568 0.125) 14.344 6.697 ( -5.876 -0.876 3.144) 6.722 6.803 ( 5.017 6.418 0.355) 8.154 7.289 ( 4.169 0.447 1.830) 4.575 7.540 ( -7.191 5.115 -1.566) 8.962 7.885 ( 1.718 13.230 -5.412) 14.397 11.879 ( -0.202 -7.246 13.036) 14.916 12.884 ( -1.092 22.316 14.743) 26.768 13.879 ( -0.529 6.004 -12.897) 14.235 14.068 ( 0.116 4.809 -7.179) 8.642 15.415 ( 0.231 -8.171 -0.746) 8.209 15.822 ( 0.960 -12.979 3.612) 13.506 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -11.651 -3.745 17.699) 21.518 1.217 ( 14.752 -6.697 19.402) 25.276 1.947 ( -4.264 -11.043 -14.554) 18.760 2.231 ( 0.057 8.520 10.386) 13.434 2.572 ( -2.907 1.798 -8.520) 9.180 2.785 ( 0.912 -1.967 -8.072) 8.358 3.067 ( -0.973 0.574 2.954) 3.162 3.391 ( 3.292 -8.219 1.956) 9.067 3.730 ( 8.913 0.881 4.332) 9.950 4.030 ( -4.967 11.870 0.215) 12.869 4.692 ( -5.376 -10.712 -0.379) 11.991 5.390 ( -1.338 -5.058 -0.503) 5.256 6.173 ( 5.291 -12.016 -1.081) 13.174 6.622 ( -3.619 -2.513 4.552) 6.335 6.916 ( 2.631 3.745 -2.176) 5.068 7.408 ( -1.124 7.117 2.609) 7.663 7.476 ( 2.227 1.478 -1.852) 3.252 7.980 ( -2.053 11.500 -2.616) 11.971 11.943 ( 6.768 -7.121 13.151) 16.416 13.127 ( -5.008 20.673 6.564) 22.261 13.779 ( -7.259 7.621 -6.026) 12.128 14.145 ( 4.913 3.727 -4.721) 7.766 15.334 ( 0.484 -7.931 -1.012) 8.010 15.722 ( 0.112 -12.094 1.049) 12.140 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -1.177 1.063 8.588) 8.734 1.498 ( 10.604 -5.566 12.524) 17.329 1.688 ( 0.468 -13.887 -11.363) 17.949 2.297 ( -4.758 1.316 0.797) 5.001 2.464 ( -6.830 7.966 -1.111) 10.552 2.735 ( -0.472 -6.082 -1.629) 6.314 3.088 ( 1.127 4.174 -3.490) 5.557 3.370 ( 2.657 -8.922 0.828) 9.346 3.879 ( 3.915 2.753 -1.367) 4.978 4.129 ( 2.556 11.163 5.229) 12.589 4.512 ( -3.564 -9.110 -0.636) 9.803 5.311 ( -2.090 -4.252 -0.541) 4.769 6.109 ( -0.375 -7.343 -3.936) 8.340 6.594 ( 1.355 -5.612 6.704) 8.847 6.930 ( -0.003 -1.951 -3.422) 3.940 7.371 ( -6.519 9.453 -4.040) 12.173 7.663 ( 10.682 1.476 5.329) 12.028 8.009 ( -5.475 9.291 -0.062) 10.785 12.118 ( 12.390 -6.797 12.758) 19.039 13.112 ( -13.775 12.307 -9.949) 20.981 13.827 ( -0.721 13.237 8.983) 16.013 14.203 ( 0.345 0.651 0.950) 1.202 15.275 ( 1.567 -5.068 -2.565) 5.893 15.606 ( 0.120 -10.417 -3.110) 10.872 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 10.112 5.381 -2.084) 11.643 1.362 ( -3.320 -13.260 -12.846) 18.758 1.784 ( 7.531 -3.795 9.280) 12.539 2.151 ( -5.882 -0.853 -6.118) 8.530 2.504 ( -2.881 9.917 5.617) 11.756 2.630 ( -3.472 -7.951 1.834) 8.868 3.112 ( -1.623 3.038 -3.389) 4.832 3.338 ( 5.239 -9.097 -0.368) 10.505 3.918 ( -1.915 6.633 -3.844) 7.902 4.321 ( 2.278 2.326 5.488) 6.381 4.424 ( 4.326 -1.058 -2.041) 4.899 5.235 ( -2.069 -3.399 -0.339) 3.994 5.979 ( -5.582 -1.711 -5.741) 8.187 6.633 ( 6.125 -9.553 7.827) 13.786 6.852 ( -2.810 -3.187 -3.661) 5.609 7.352 ( -3.044 8.188 -4.588) 9.867 7.875 ( 8.194 -0.165 6.456) 10.433 7.983 ( -6.912 7.365 1.644) 10.233 12.349 ( 12.380 -5.389 8.485) 15.947 12.889 ( -12.865 6.192 -9.973) 17.416 14.017 ( -1.390 10.774 11.293) 15.670 14.187 ( -3.461 -0.476 6.391) 7.283 15.256 ( 2.190 -1.982 -3.709) 4.741 15.499 ( 1.587 -7.149 -7.219) 10.283 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -3.039 -10.051 -9.069) 13.875 1.247 ( 15.519 6.795 -9.100) 19.230 1.740 ( -11.994 3.188 -6.077) 13.818 2.149 ( 7.647 -4.782 5.182) 10.401 2.492 ( -6.012 -6.122 3.630) 9.316 2.614 ( 0.485 9.013 5.766) 10.711 3.039 ( -3.536 -3.813 -1.987) 5.567 3.377 ( 7.572 -6.083 -0.612) 9.732 3.910 ( -4.693 7.907 -3.335) 9.781 4.307 ( -1.044 -2.249 1.355) 2.826 4.573 ( 6.592 4.316 -3.455) 8.604 5.177 ( -1.121 -2.329 0.415) 2.617 5.853 ( -5.326 3.531 -5.209) 8.244 6.643 ( 2.209 -13.998 4.103) 14.754 6.804 ( 2.850 0.099 -0.346) 2.872 7.364 ( -1.753 7.138 -3.366) 8.084 7.879 ( -8.166 0.398 5.324) 9.756 8.064 ( 6.001 0.753 3.386) 6.932 12.378 ( -8.777 3.733 -11.119) 14.649 12.850 ( 9.073 -5.138 10.989) 15.148 13.997 ( -10.191 -4.010 11.274) 15.718 14.245 ( -0.115 5.947 5.819) 8.321 15.257 ( 1.714 0.300 -4.101) 4.455 15.455 ( 4.028 -1.326 -8.641) 9.625 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -6.554 -3.761 -2.963) 8.117 1.485 ( -16.643 6.211 -10.170) 20.469 1.566 ( 18.705 7.190 -9.983) 22.388 2.250 ( 2.713 -6.072 6.828) 9.531 2.371 ( -2.335 -4.293 5.025) 7.010 2.766 ( 3.288 7.705 4.816) 9.663 2.931 ( -1.721 -5.101 -1.010) 5.478 3.439 ( 6.336 -5.559 -0.694) 8.458 3.877 ( -7.382 9.357 -1.657) 12.033 4.272 ( -1.703 -3.031 0.965) 3.608 4.633 ( 0.795 2.890 -8.238) 8.766 5.169 ( 1.418 -0.271 0.906) 1.704 5.838 ( -0.129 8.471 -2.754) 8.909 6.536 ( -0.182 -11.928 1.301) 12.000 6.896 ( 6.748 -1.253 0.939) 6.928 7.389 ( -2.367 7.566 -0.521) 7.944 7.754 ( -8.576 -3.071 5.448) 10.614 8.156 ( 4.145 -3.106 1.582) 5.416 12.147 ( -13.647 7.040 -12.090) 19.544 13.058 ( 10.544 -9.942 16.127) 21.682 13.831 ( -9.883 -6.180 11.848) 16.621 14.279 ( -0.684 -1.517 -0.702) 1.806 15.282 ( 1.835 4.078 -4.063) 6.042 15.499 ( 4.701 3.821 -6.698) 9.031 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.469 2.589 10.046) 10.664 1.588 ( -12.636 -3.863 16.134) 20.854 1.956 ( 2.940 7.245 9.668) 12.434 2.124 ( 4.546 0.579 -7.758) 9.011 2.327 ( 4.544 -6.461 -10.887) 13.451 2.946 ( 5.871 -6.486 4.462) 9.821 3.098 ( -4.559 -2.659 -4.400) 6.871 3.387 ( 0.668 3.833 4.020) 5.595 3.634 ( -7.716 -1.697 -1.075) 7.973 4.115 ( -2.799 8.507 0.588) 8.975 4.778 ( 6.679 -4.398 -0.479) 8.011 5.395 ( 3.296 -4.141 -1.120) 5.409 6.199 ( -0.896 -12.293 -3.307) 12.761 6.583 ( 4.383 1.494 5.997) 7.577 6.914 ( -6.079 -2.147 -1.278) 6.573 7.301 ( -3.168 1.038 3.693) 4.975 7.669 ( 4.605 5.631 -1.726) 7.476 7.799 ( -2.170 9.462 -2.726) 10.083 12.102 ( -11.875 -4.711 12.405) 17.807 12.880 ( 1.961 18.499 8.491) 20.449 13.626 ( 7.410 3.337 -7.797) 11.262 14.194 ( -0.032 0.895 0.472) 1.013 15.402 ( 0.189 -4.837 -2.976) 5.682 15.773 ( 1.198 -8.769 -0.292) 8.856 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 7.280 -3.069 18.243) 19.880 1.394 ( -15.553 -7.025 18.591) 25.237 1.990 ( 3.675 -14.727 -15.520) 21.709 2.202 ( 0.050 11.037 8.763) 14.093 2.356 ( 8.640 3.602 -10.222) 13.860 2.933 ( -4.282 -0.513 -7.044) 8.259 3.050 ( 3.860 -4.948 9.839) 11.670 3.449 ( -9.413 -4.593 0.895) 10.512 3.501 ( 5.159 2.774 2.845) 6.512 4.153 ( -2.261 8.503 -0.964) 8.851 4.786 ( 1.696 -8.114 -1.648) 8.452 5.389 ( 1.526 -4.479 -0.323) 4.743 6.036 ( -0.201 -13.477 0.154) 13.480 6.762 ( 6.864 4.469 3.009) 8.726 6.793 ( -4.514 -1.847 1.192) 5.021 7.269 ( -0.946 0.035 0.283) 0.987 7.710 ( -6.136 5.104 2.423) 8.341 7.920 ( 4.913 13.132 -6.333) 15.385 11.953 ( -7.299 -6.765 13.031) 16.397 13.170 ( 2.728 21.487 6.560) 22.631 13.773 ( 8.465 7.416 -7.656) 13.611 14.152 ( -5.699 4.363 -5.385) 8.973 15.324 ( -0.153 -8.893 0.156) 8.895 15.694 ( 1.184 -12.419 1.835) 12.609 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 11.358 -5.231 19.580) 23.233 1.172 ( -14.340 -7.568 18.251) 24.413 1.741 ( -0.261 -17.823 -18.429) 25.639 2.355 ( 0.287 7.191 7.165) 10.156 2.491 ( 7.500 4.923 -9.371) 12.973 2.818 ( -5.522 3.652 -5.887) 8.859 3.137 ( 0.998 -0.440 8.713) 8.781 3.253 ( -2.656 -10.894 -0.837) 11.245 3.643 ( 6.042 1.979 3.156) 7.098 4.200 ( -2.094 9.518 -0.022) 9.746 4.664 ( -3.750 -9.786 -1.734) 10.622 5.356 ( -0.388 -4.283 0.235) 4.307 5.954 ( 4.788 -12.668 0.935) 13.575 6.694 ( -4.389 -2.202 2.116) 5.347 6.921 ( 1.988 4.777 0.575) 5.206 7.317 ( 7.133 -0.078 0.824) 7.181 7.644 ( -8.333 6.634 -0.579) 10.667 8.073 ( 1.980 11.446 -4.039) 12.299 11.897 ( -0.340 -7.201 13.385) 15.203 13.420 ( -1.421 20.687 -1.909) 20.823 13.915 ( 0.067 9.677 -2.307) 9.948 14.083 ( -0.022 5.349 -6.979) 8.793 15.239 ( 0.397 -9.974 2.688) 10.337 15.594 ( 0.810 -13.689 1.532) 13.798 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -10.222 -4.846 14.022) 18.017 1.321 ( 14.030 -6.035 17.833) 23.479 1.452 ( -0.637 -16.693 -16.631) 23.572 2.384 ( -4.504 1.423 -2.019) 5.137 2.574 ( 1.722 5.286 -3.198) 6.414 2.753 ( -5.157 4.056 -1.912) 6.834 3.096 ( -1.598 -2.646 1.538) 3.453 3.236 ( 4.247 -5.512 1.094) 7.044 3.776 ( 7.040 0.347 0.772) 7.091 4.276 ( -0.877 9.788 2.783) 10.214 4.488 ( -4.692 -8.168 -0.633) 9.441 5.298 ( -1.674 -3.953 0.071) 4.293 5.940 ( 6.234 -10.978 -0.028) 12.625 6.620 ( -3.753 -1.995 3.156) 5.294 6.933 ( -2.442 1.169 -1.834) 3.271 7.465 ( 5.474 -1.096 -0.213) 5.587 7.598 ( -1.695 8.665 0.081) 8.829 8.155 ( -1.865 9.053 -2.419) 9.554 11.963 ( 6.865 -7.229 13.529) 16.805 13.410 ( -13.517 14.729 -15.574) 25.342 14.019 ( -0.181 12.561 8.430) 15.129 14.165 ( 4.763 4.064 -4.294) 7.592 15.184 ( 1.521 -7.528 2.468) 8.067 15.475 ( 0.327 -13.003 -0.294) 13.011 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.932 -0.502 5.313) 5.417 1.204 ( -1.452 -10.998 -11.589) 16.043 1.612 ( 14.460 -5.836 14.915) 21.578 2.241 ( -8.762 0.690 -7.698) 11.683 2.606 ( -1.789 -0.230 -0.280) 1.825 2.694 ( -4.146 4.786 1.957) 6.628 3.119 ( 4.474 -0.061 -1.446) 4.702 3.202 ( -2.258 -5.978 -0.027) 6.390 3.894 ( 6.210 1.302 -1.862) 6.613 4.349 ( 0.071 -6.331 0.972) 6.405 4.410 ( -0.818 10.432 4.040) 11.217 5.228 ( -1.917 -3.698 -0.357) 4.181 5.932 ( 3.519 -6.882 -1.954) 7.972 6.567 ( -1.924 -3.551 4.143) 5.786 6.867 ( -3.446 -1.190 -2.093) 4.203 7.445 ( -3.347 3.475 -3.769) 6.122 7.763 ( 8.857 2.398 3.163) 9.706 8.158 ( -5.235 6.100 -1.065) 8.109 12.138 ( 12.074 -6.909 12.797) 18.902 13.160 ( -17.488 10.849 -16.380) 26.302 14.191 ( -0.704 8.391 7.665) 11.387 14.226 ( 1.742 1.498 0.057) 2.298 15.177 ( 2.840 -3.211 0.420) 4.307 15.364 ( 0.916 -9.026 -2.096) 9.312 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 5.372 1.286 -2.420) 6.031 1.077 ( 1.632 0.992 -5.271) 5.606 1.843 ( 6.328 -2.615 9.677) 11.855 2.055 ( -5.263 -0.675 -7.040) 8.815 2.518 ( -3.559 -5.004 0.542) 6.164 2.747 ( -1.015 9.431 2.555) 9.824 3.060 ( -5.109 -8.837 -0.131) 10.208 3.193 ( 6.051 -1.436 -2.308) 6.633 3.984 ( 2.473 3.978 -1.447) 4.903 4.302 ( -0.337 -2.849 0.854) 2.993 4.549 ( 2.224 8.495 2.000) 9.006 5.165 ( -0.970 -3.385 -0.356) 3.539 5.905 ( -0.241 -0.183 -3.262) 3.276 6.522 ( -0.187 -8.237 3.692) 9.029 6.798 ( -1.690 -0.152 -0.966) 1.953 7.419 ( -1.225 3.660 -3.001) 4.889 7.926 ( 6.743 -0.992 3.372) 7.604 8.089 ( -7.005 2.484 -0.405) 7.443 12.352 ( 10.317 -4.090 7.592) 13.447 12.892 ( -12.784 6.310 -9.375) 17.063 14.169 ( -6.586 -2.719 7.398) 10.271 14.286 ( 0.483 -0.610 -0.432) 0.890 15.215 ( 2.855 0.934 -0.942) 3.148 15.335 ( 3.571 -0.682 -2.781) 4.577 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -4.754 7.463 4.930) 10.129 1.275 ( 15.934 6.711 -9.533) 19.743 1.752 ( -13.698 5.961 -6.898) 16.455 2.106 ( 9.692 -6.733 6.424) 13.437 2.417 ( -3.669 -4.151 1.666) 5.785 2.818 ( -3.793 0.818 0.177) 3.885 2.923 ( 1.083 -1.697 2.356) 3.099 3.262 ( 6.535 -3.269 -2.713) 7.794 4.037 ( -1.556 6.025 0.453) 6.239 4.275 ( -1.291 -2.438 1.236) 3.023 4.641 ( -0.649 7.546 -3.893) 8.516 5.137 ( 1.352 -2.437 0.518) 2.834 5.911 ( -0.117 6.993 -2.388) 7.390 6.431 ( -0.673 -11.534 1.961) 11.718 6.815 ( 2.998 1.022 0.185) 3.173 7.439 ( 0.923 3.078 -0.776) 3.305 7.931 ( -9.664 -0.347 3.955) 10.447 8.042 ( 4.851 -4.667 -1.031) 6.811 12.379 ( -9.406 7.819 -7.881) 14.550 12.856 ( 8.757 -6.535 9.041) 14.182 14.033 ( -10.945 -5.561 11.186) 16.608 14.212 ( -0.286 -8.924 -6.549) 11.073 15.275 ( 2.282 3.614 -1.242) 4.451 15.429 ( 5.296 6.499 -2.850) 8.855 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -12.324 8.229 -1.710) 14.917 1.786 ( 4.677 -9.595 -5.855) 12.174 1.816 ( -4.556 -6.820 6.763) 10.630 2.068 ( 4.168 4.137 -5.724) 8.200 2.285 ( -1.091 6.477 5.061) 8.292 2.767 ( 8.921 -9.091 6.115) 14.129 3.125 ( -3.621 -0.410 -5.598) 6.679 3.394 ( 0.247 -2.720 2.944) 4.016 3.762 ( -5.414 4.606 -4.718) 8.532 4.281 ( -6.470 6.521 4.156) 10.082 4.626 ( 5.278 -2.239 -4.725) 7.430 5.288 ( 3.893 -3.968 -0.520) 5.583 6.048 ( 4.313 -7.211 -4.677) 9.616 6.600 ( -2.232 -2.805 6.478) 7.403 6.948 ( -3.181 -3.733 -2.695) 5.596 7.403 ( -5.319 -1.587 4.128) 6.918 7.601 ( 9.843 10.945 -3.117) 15.046 7.925 ( -3.511 4.729 4.027) 7.135 12.367 ( -15.311 -4.356 11.742) 19.781 12.910 ( 11.132 10.605 -8.803) 17.717 13.620 ( -0.165 8.824 7.822) 11.793 14.156 ( 6.067 -2.722 6.910) 9.589 15.353 ( -1.217 -2.480 -4.348) 5.152 15.677 ( -0.448 -6.465 -5.048) 8.214 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -1.798 2.247 8.623) 9.091 1.653 ( 4.893 -18.120 -16.265) 24.836 1.668 ( -12.861 -7.271 15.576) 21.468 2.196 ( 8.379 6.737 -9.215) 14.160 2.365 ( -1.479 8.084 6.808) 10.672 2.851 ( 6.416 -6.718 0.852) 9.329 3.045 ( -2.236 -0.376 1.502) 2.720 3.397 ( 2.515 -4.738 -1.560) 5.586 3.672 ( -9.103 5.306 1.718) 10.676 4.266 ( -3.745 6.204 0.790) 7.289 4.650 ( 4.306 -5.532 -4.110) 8.126 5.308 ( 3.167 -3.645 -0.306) 4.838 5.948 ( -2.622 -10.464 -0.061) 10.788 6.688 ( 7.733 1.962 4.713) 9.266 6.840 ( -3.896 -3.463 -0.634) 5.251 7.313 ( -4.162 -0.593 -0.805) 4.280 7.845 ( 2.688 8.922 2.988) 9.785 7.930 ( -0.082 7.289 -2.676) 7.765 12.141 ( -13.063 -6.397 12.597) 19.242 13.173 ( 13.836 12.325 -13.219) 22.762 13.796 ( 1.339 13.417 9.560) 16.529 14.223 ( -0.362 1.251 0.666) 1.463 15.266 ( -2.071 -5.695 -1.173) 6.173 15.567 ( 0.205 -10.737 -2.132) 10.948 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 6.445 -3.439 15.308) 16.962 1.427 ( -0.497 -16.154 -13.095) 20.801 1.448 ( -11.802 -11.074 11.980) 20.136 2.352 ( 8.704 6.192 -8.319) 13.539 2.460 ( -1.011 6.582 4.208) 7.878 2.862 ( 2.512 -0.922 -4.018) 4.828 3.056 ( 0.772 -2.440 2.630) 3.670 3.330 ( -4.325 -4.887 3.055) 7.206 3.629 ( -1.998 3.467 2.535) 4.737 4.291 ( -0.720 5.405 0.712) 5.499 4.602 ( -0.079 -6.375 -3.740) 7.392 5.315 ( 1.520 -2.957 -0.299) 3.338 5.813 ( -1.052 -10.713 2.577) 11.069 6.742 ( -3.159 -3.331 1.555) 4.847 6.901 ( 8.257 4.017 3.591) 9.859 7.250 ( -1.037 0.217 -3.268) 3.435 7.831 ( -7.174 3.964 1.413) 8.317 8.091 ( 5.358 10.364 -4.293) 12.432 11.974 ( -7.529 -7.205 13.146) 16.775 13.436 ( 12.393 13.562 -17.784) 25.569 14.014 ( 1.416 13.522 9.401) 16.530 14.176 ( -6.150 4.606 -5.476) 9.435 15.175 ( -1.282 -8.321 4.241) 9.427 15.455 ( 0.759 -12.660 0.148) 12.683 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 10.623 -7.109 13.856) 18.851 1.203 ( -8.654 -8.599 7.246) 14.189 1.221 ( -2.888 -12.367 -2.649) 12.973 2.458 ( -2.875 3.587 -4.720) 6.588 2.514 ( 6.068 4.819 -4.150) 8.790 2.894 ( -4.042 6.367 -0.530) 7.560 2.988 ( 3.457 -11.236 -3.475) 12.259 3.273 ( -5.025 1.451 9.737) 11.053 3.681 ( 4.564 0.418 -0.526) 4.613 4.332 ( 0.177 -0.968 3.217) 3.364 4.514 ( -2.589 0.540 -2.591) 3.702 5.293 ( -0.918 -2.413 -0.485) 2.626 5.748 ( 3.554 -10.123 2.562) 11.030 6.678 ( -2.848 -1.944 2.623) 4.332 7.004 ( -3.092 2.816 0.856) 4.269 7.298 ( 9.467 -1.174 -1.545) 9.664 7.750 ( -6.702 4.942 -1.857) 8.532 8.217 ( 1.897 7.867 -4.093) 9.069 11.914 ( -0.200 -7.583 13.511) 15.494 13.583 ( 0.210 14.520 -21.627) 26.050 14.099 ( -1.476 5.022 -6.647) 8.461 14.196 ( 0.629 9.425 6.175) 11.285 15.120 ( 0.212 -8.325 7.769) 11.389 15.352 ( 0.403 -11.135 1.975) 11.316 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -8.281 -6.927 9.773) 14.563 1.098 ( 0.204 -1.003 -4.227) 4.349 1.389 ( 14.180 -8.009 15.768) 22.668 2.354 ( -7.747 2.725 -7.086) 10.847 2.621 ( 2.272 3.762 -3.838) 5.835 2.759 ( -3.964 -5.271 -2.699) 7.126 3.037 ( 3.442 0.977 1.079) 3.737 3.249 ( -4.507 -0.811 4.929) 6.728 3.775 ( 6.691 0.185 -0.838) 6.746 4.301 ( -0.209 -5.683 3.114) 6.483 4.540 ( -0.384 8.342 1.505) 8.485 5.234 ( -2.608 -2.317 -0.990) 3.626 5.757 ( 6.278 -8.244 1.644) 10.491 6.630 ( -3.796 -0.607 3.023) 4.891 6.925 ( -5.764 -0.117 -1.465) 5.949 7.429 ( 5.779 -2.188 -0.306) 6.187 7.716 ( -0.011 4.929 -3.005) 5.773 8.258 ( -1.779 5.017 -3.654) 6.457 11.980 ( 7.046 -7.744 13.574) 17.143 13.451 ( -14.506 13.202 -20.481) 28.358 14.164 ( 5.907 3.962 -5.830) 9.196 14.272 ( -0.211 1.149 -0.085) 1.171 15.113 ( 1.753 -6.204 7.924) 10.215 15.293 ( 0.104 -4.564 4.088) 6.128 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.630 -2.204 1.838) 2.938 1.139 ( -1.537 10.237 4.551) 11.308 1.645 ( 14.947 -8.473 13.306) 21.731 2.183 ( -10.275 3.635 -8.420) 13.772 2.540 ( -4.733 -4.507 -2.391) 6.959 2.768 ( 5.589 1.046 -3.119) 6.485 3.056 ( -3.911 -1.277 0.452) 4.138 3.176 ( -2.911 -1.368 2.348) 3.982 3.900 ( 7.866 0.685 -0.901) 7.947 4.289 ( 0.368 -1.693 3.400) 3.816 4.642 ( 0.611 8.404 3.268) 9.038 5.156 ( -2.565 -2.560 -1.651) 3.982 5.812 ( 6.401 -4.156 0.915) 7.687 6.553 ( -6.266 -1.596 1.204) 6.578 6.831 ( -3.140 -0.953 -0.244) 3.291 7.442 ( -0.423 0.114 -1.880) 1.930 7.800 ( 6.893 0.017 -1.576) 7.071 8.214 ( -5.263 2.182 -2.513) 6.227 12.150 ( 12.067 -7.564 12.724) 19.098 13.177 ( -17.645 11.346 -16.990) 26.996 14.209 ( -0.297 -8.081 -6.980) 10.683 14.234 ( 1.206 0.097 -0.365) 1.264 15.157 ( 3.624 -1.543 4.623) 6.073 15.324 ( 0.868 3.136 5.149) 6.091 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 10.528 3.048 -5.793) 12.397 1.269 ( -3.808 15.906 9.034) 18.685 1.873 ( 12.890 -8.162 10.549) 18.549 1.990 ( -11.356 5.060 -8.461) 15.039 2.420 ( -1.947 -4.720 -3.163) 6.006 2.831 ( 0.771 -9.113 0.364) 9.153 2.932 ( -3.190 4.353 -0.925) 5.476 3.178 ( 0.950 0.945 0.512) 1.435 4.024 ( 6.040 1.460 -2.143) 6.573 4.296 ( -1.226 -1.272 4.406) 4.747 4.748 ( -1.162 10.039 1.556) 10.225 5.091 ( -0.137 -3.331 -1.416) 3.622 5.909 ( 5.682 2.517 0.945) 6.286 6.402 ( -6.523 -6.010 -1.026) 8.929 6.809 ( -0.185 1.144 1.012) 1.538 7.437 ( 0.721 0.840 -0.750) 1.337 7.883 ( 6.283 -4.971 -2.456) 8.380 8.102 ( -8.072 0.450 0.113) 8.086 12.364 ( 11.648 -5.276 9.204) 15.755 12.911 ( -13.668 7.780 -10.883) 19.126 14.044 ( 0.280 -13.587 -10.534) 17.195 14.193 ( -5.972 -3.700 6.753) 9.745 15.247 ( 3.824 2.707 0.797) 4.753 15.433 ( 2.720 7.291 3.132) 8.389 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -17.054 9.643 -8.156) 21.222 1.460 ( 5.991 -16.014 -12.998) 21.478 1.816 ( 9.037 3.941 -4.440) 10.812 2.077 ( -5.971 -3.419 4.386) 8.159 2.424 ( -0.895 8.736 6.996) 11.228 2.561 ( 9.448 -9.265 7.506) 15.213 3.145 ( -2.855 0.100 -4.628) 5.439 3.378 ( -1.548 -5.691 1.390) 6.059 3.821 ( 0.047 4.664 -5.922) 7.538 4.409 ( 2.602 0.665 1.896) 3.287 4.594 ( -7.973 4.971 -4.983) 10.635 5.184 ( 3.748 -4.101 0.801) 5.613 5.880 ( 6.177 -1.852 -4.933) 8.119 6.657 ( -5.462 -6.578 4.134) 9.497 6.929 ( -0.663 -3.031 -2.880) 4.234 7.440 ( 0.592 -3.252 -0.395) 3.329 7.568 ( 5.467 10.587 3.352) 12.377 8.054 ( -3.420 2.923 6.771) 8.129 12.530 ( 3.296 -2.105 -9.862) 10.609 12.818 ( -5.351 2.193 7.634) 9.577 13.814 ( -1.950 11.175 12.142) 16.617 14.026 ( 10.411 -5.534 10.845) 16.020 15.336 ( -1.553 -0.715 -5.099) 5.378 15.605 ( -2.106 -3.794 -9.117) 10.097 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -10.443 5.757 -1.969) 12.087 1.308 ( 4.581 -16.356 -14.143) 22.103 1.866 ( -8.282 -6.191 12.043) 15.873 2.063 ( 8.029 5.867 -9.869) 14.010 2.494 ( -1.160 4.364 4.797) 6.588 2.688 ( 6.730 -4.196 5.284) 9.529 3.077 ( -1.200 -0.062 -0.905) 1.505 3.305 ( 0.153 -6.414 -2.612) 6.927 3.837 ( -2.924 6.219 -1.004) 6.945 4.431 ( -6.354 4.133 3.434) 8.321 4.503 ( 1.978 -2.262 -7.048) 7.662 5.213 ( 3.703 -3.561 0.311) 5.147 5.897 ( 0.301 -4.238 -1.041) 4.374 6.609 ( 3.696 -2.955 3.471) 5.869 6.854 ( -2.501 -3.265 -1.467) 4.367 7.372 ( -3.697 -1.089 0.173) 3.857 7.826 ( 8.996 10.807 -1.001) 14.097 8.041 ( -4.804 1.318 4.892) 6.982 12.387 ( -13.183 -5.278 8.267) 16.432 12.920 ( 13.193 5.772 -12.556) 19.105 13.997 ( -0.039 13.433 11.323) 17.568 14.186 ( 6.425 -2.849 7.106) 9.994 15.263 ( -2.668 -1.653 -3.281) 4.541 15.464 ( -2.091 -7.406 -6.354) 9.979 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.952 -0.423 6.537) 6.620 1.148 ( 2.720 -11.649 -11.637) 16.689 1.670 ( -12.820 -9.788 12.429) 20.363 2.223 ( 8.527 6.488 -7.698) 13.194 2.559 ( 0.267 4.731 3.218) 5.728 2.721 ( 2.935 -5.168 -2.075) 6.295 3.110 ( -1.822 3.373 1.369) 4.071 3.254 ( 5.658 -6.174 0.071) 8.374 3.800 ( -8.483 4.279 2.077) 9.725 4.371 ( -4.240 2.008 2.027) 5.111 4.501 ( 3.301 -2.348 -5.232) 6.617 5.240 ( 3.169 -3.029 -0.437) 4.405 5.805 ( -4.723 -6.063 2.984) 8.245 6.726 ( 5.758 -4.058 3.233) 7.751 6.801 ( 3.119 1.204 -0.675) 3.411 7.302 ( -4.585 1.715 -1.869) 5.240 7.976 ( -5.987 0.332 2.473) 6.486 8.049 ( 7.401 8.385 -3.576) 11.742 12.157 ( -12.949 -7.049 12.127) 19.090 13.165 ( 17.250 9.075 -18.703) 27.013 14.175 ( 0.438 9.157 7.156) 11.630 14.254 ( -0.487 1.797 0.458) 1.918 15.179 ( -3.579 -3.096 1.602) 4.996 15.338 ( -0.277 -8.639 -1.079) 8.711 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 5.695 -4.786 11.403) 13.615 1.072 ( 2.205 -1.701 -2.971) 4.073 1.415 ( -13.492 -11.406 12.665) 21.738 2.379 ( 8.044 5.251 -6.337) 11.508 2.569 ( -4.912 4.556 -3.064) 7.367 2.751 ( 8.679 -7.143 -1.960) 11.410 3.026 ( -5.634 -0.042 -2.190) 6.045 3.389 ( 4.242 2.169 9.064) 10.240 3.680 ( -7.116 0.582 -0.553) 7.161 4.339 ( -1.721 -3.508 3.364) 5.156 4.517 ( 2.051 2.935 -3.150) 4.769 5.252 ( 2.003 -2.660 -1.466) 3.638 5.693 ( -3.569 -5.646 4.280) 7.933 6.706 ( -1.158 -3.046 3.014) 4.439 6.992 ( 11.061 1.316 2.212) 11.357 7.219 ( -4.908 1.937 -4.520) 6.947 7.877 ( -6.075 0.197 -1.034) 6.166 8.200 ( 4.856 6.183 -4.896) 9.262 11.984 ( -7.394 -7.834 13.048) 16.921 13.424 ( 15.000 11.152 -21.556) 28.531 14.183 ( -5.239 2.230 -5.615) 7.997 14.280 ( -0.782 3.799 -0.533) 3.915 15.117 ( -2.174 -5.241 8.600) 10.303 15.285 ( 0.430 -4.644 4.704) 6.625 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -3.423 -4.413 9.472) 10.996 1.152 ( -0.990 5.784 7.039) 9.164 1.189 ( 4.761 -10.223 14.382) 18.276 2.462 ( -4.669 4.263 -6.824) 9.303 2.537 ( 5.760 3.108 -5.624) 8.629 2.709 ( -1.575 -9.582 -6.641) 11.765 3.024 ( 2.888 3.672 3.402) 5.779 3.402 ( -9.428 -1.263 8.742) 12.919 3.669 ( 5.572 0.550 -1.763) 5.870 4.293 ( -1.375 -3.017 3.869) 5.095 4.588 ( 2.555 4.442 0.602) 5.159 5.233 ( -0.213 -1.949 -2.661) 3.305 5.643 ( 0.702 -4.356 4.266) 6.137 6.689 ( -1.216 -0.984 4.029) 4.322 7.045 ( -8.354 0.654 -0.233) 8.383 7.245 ( 11.268 -1.526 -2.552) 11.654 7.775 ( -4.456 1.153 -4.125) 6.180 8.274 ( 1.683 3.957 -5.341) 6.857 11.922 ( 0.048 -8.236 13.430) 15.754 13.569 ( 2.255 11.688 -23.306) 26.170 14.097 ( -0.232 2.668 -7.536) 7.998 14.231 ( -1.510 -4.894 -7.214) 8.848 15.109 ( -0.543 -4.931 12.512) 13.459 15.314 ( 0.174 0.931 8.503) 8.556 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -6.170 -9.168 6.543) 12.843 1.356 ( -0.888 18.386 10.679) 21.281 1.382 ( 14.118 -10.174 13.677) 22.134 2.339 ( -8.745 4.956 -8.210) 12.979 2.512 ( -2.570 -10.801 -7.371) 13.327 2.651 ( 5.415 3.440 -4.556) 7.868 3.124 ( -0.123 3.289 2.363) 4.052 3.256 ( -7.352 -4.415 5.351) 10.108 3.765 ( 6.660 -1.260 0.098) 6.779 4.301 ( 0.369 0.638 4.004) 4.071 4.691 ( 3.285 4.016 3.738) 6.395 5.175 ( -2.630 -0.746 -3.730) 4.625 5.685 ( 4.962 -2.017 4.047) 6.713 6.670 ( -5.183 0.774 3.055) 6.066 6.886 ( -6.327 -2.074 -1.691) 6.870 7.375 ( 6.558 -2.788 -0.490) 7.143 7.717 ( 0.320 0.767 -5.593) 5.654 8.272 ( -1.727 2.057 -4.533) 5.269 11.983 ( 7.159 -8.476 13.347) 17.356 13.436 ( -11.882 9.018 -21.042) 25.793 14.058 ( -1.410 -11.260 -11.016) 15.816 14.163 ( 5.880 3.377 -6.398) 9.323 15.151 ( 0.921 -1.855 11.725) 11.907 15.396 ( 0.175 4.090 8.574) 9.501 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 3.493 -3.743 -1.451) 5.322 1.570 ( -0.961 14.379 11.440) 18.400 1.609 ( 12.049 -5.363 11.587) 17.556 2.180 ( -10.007 5.603 -7.717) 13.823 2.336 ( -0.407 -9.580 -8.461) 12.788 2.739 ( 4.054 1.066 -1.995) 4.642 3.025 ( -7.907 -4.835 2.313) 9.553 3.225 ( -1.391 3.601 2.408) 4.550 3.883 ( 8.645 -1.194 -0.774) 8.761 4.327 ( -0.562 -0.917 3.131) 3.310 4.825 ( 4.182 4.167 6.034) 8.442 5.093 ( -4.081 1.189 -4.757) 6.379 5.818 ( 7.811 1.946 4.332) 9.141 6.509 ( -11.606 -2.364 -2.978) 12.213 6.835 ( -0.190 0.316 2.593) 2.619 7.414 ( 2.039 -1.504 -0.487) 2.580 7.720 ( 4.235 -3.577 -5.272) 7.650 8.210 ( -4.565 1.035 -2.234) 5.187 12.144 ( 12.076 -8.518 12.280) 19.214 13.163 ( -14.250 6.259 -17.639) 23.524 13.842 ( -1.410 -12.735 -11.569) 17.263 14.232 ( 1.578 0.176 -0.543) 1.678 15.239 ( 2.282 2.331 6.874) 7.609 15.495 ( 0.897 5.352 6.056) 8.132 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 6.215 -15.239 -11.195) 19.904 1.551 ( -19.081 9.901 -10.903) 24.104 1.607 ( 14.581 5.543 -10.858) 19.006 2.195 ( -7.946 -4.611 7.310) 11.740 2.358 ( 10.496 -7.986 9.549) 16.283 2.556 ( -0.770 7.481 5.760) 9.473 3.174 ( -2.948 0.129 -3.109) 4.286 3.336 ( -1.224 -7.881 -2.611) 8.392 3.790 ( 4.267 3.403 -3.361) 6.410 4.359 ( 1.988 0.627 -1.716) 2.700 4.771 ( -5.580 6.596 -5.361) 10.167 5.106 ( 0.999 -3.847 3.562) 5.338 5.770 ( 3.229 2.893 -5.244) 6.804 6.693 ( -6.115 -9.874 1.769) 11.748 6.884 ( 1.315 -1.563 -2.416) 3.163 7.373 ( 5.841 3.323 -0.436) 6.734 7.611 ( 0.953 1.869 5.924) 6.284 8.172 ( -3.030 1.421 6.528) 7.336 12.257 ( 12.657 0.267 -16.726) 20.976 13.078 ( -10.373 -3.595 18.148) 21.210 13.848 ( 9.042 -7.446 11.926) 16.717 14.016 ( -0.744 10.388 9.688) 14.224 15.321 ( -1.426 -0.206 -7.202) 7.345 15.569 ( -3.001 -0.673 -10.039) 10.499 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 4.484 -9.879 -8.134) 13.560 1.265 ( -16.479 7.062 -8.891) 20.012 1.848 ( 12.918 6.367 -7.504) 16.240 2.043 ( -8.455 -6.018 5.448) 11.721 2.466 ( 5.055 -6.678 5.734) 10.150 2.681 ( 2.444 7.637 6.190) 10.129 3.080 ( -2.654 -4.024 -2.144) 5.276 3.234 ( -0.830 -5.635 -3.342) 6.604 3.889 ( 2.594 5.934 -0.334) 6.485 4.376 ( 2.469 -0.273 -5.261) 5.818 4.674 ( -10.382 5.039 -0.721) 11.563 5.123 ( 3.255 -3.592 1.767) 5.159 5.842 ( 3.526 2.542 -2.601) 5.065 6.549 ( -0.933 -8.021 2.058) 8.333 6.848 ( -1.249 -2.153 -2.019) 3.205 7.412 ( -1.244 -0.287 1.213) 1.761 7.769 ( 7.840 6.746 1.622) 10.469 8.148 ( -4.123 -1.036 4.711) 6.346 12.395 ( 10.131 3.258 -13.098) 16.876 12.903 ( -12.005 -5.172 11.995) 17.742 14.038 ( 11.274 -6.072 11.320) 17.092 14.167 ( 0.467 8.856 6.742) 11.140 15.256 ( -0.889 -0.680 -5.596) 5.707 15.441 ( -4.787 -0.696 -7.558) 8.973 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.556 0.237 -2.335) 3.470 1.052 ( -9.421 2.466 -3.008) 10.192 1.840 ( -11.016 -8.953 8.673) 16.636 2.078 ( 11.098 6.585 -8.282) 15.333 2.504 ( 4.113 -4.553 2.212) 6.522 2.767 ( -4.889 5.197 0.651) 7.165 3.065 ( 8.042 -6.795 0.458) 10.538 3.165 ( -1.109 0.767 -0.445) 1.420 3.955 ( -2.878 4.978 1.441) 5.928 4.371 ( 2.194 -2.099 -6.488) 7.163 4.544 ( -8.680 3.228 2.642) 9.631 5.159 ( 3.268 -2.232 0.321) 3.970 5.858 ( -3.063 -0.481 1.691) 3.531 6.555 ( 7.937 -4.973 0.315) 9.371 6.798 ( -1.201 -0.762 -0.781) 1.622 7.386 ( -3.192 1.823 0.567) 3.719 7.970 ( 8.043 5.881 -1.596) 10.091 8.067 ( -5.089 -3.595 2.020) 6.550 12.377 ( -10.279 -4.012 5.813) 12.472 12.882 ( 10.649 4.074 -9.308) 14.718 14.200 ( 5.798 -3.404 6.188) 9.137 14.255 ( 1.541 1.065 0.900) 2.078 15.219 ( -1.238 0.738 -1.404) 2.012 15.324 ( -4.645 0.230 -1.454) 4.873 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -0.104 -4.517 4.105) 6.104 1.107 ( 1.605 12.299 5.630) 13.621 1.593 ( -12.841 -11.136 9.552) 19.497 2.256 ( 8.427 5.159 -6.171) 11.649 2.545 ( 5.807 -6.479 -1.852) 8.896 2.694 ( -6.246 5.362 -3.082) 8.790 3.038 ( -0.004 -5.982 -1.948) 6.291 3.323 ( 9.404 4.836 5.252) 11.807 3.871 ( -11.156 1.126 1.056) 11.263 4.337 ( 0.260 -2.808 -1.739) 3.313 4.515 ( -0.811 3.076 2.593) 4.104 5.185 ( 2.079 -1.742 -0.450) 2.749 5.775 ( -6.404 -1.217 3.443) 7.372 6.652 ( 6.529 -6.036 1.840) 9.080 6.831 ( 6.209 3.229 -1.834) 7.235 7.337 ( -5.910 3.017 -0.497) 6.654 7.939 ( -4.812 -4.994 -1.377) 7.071 8.128 ( 6.331 4.436 -3.633) 8.542 12.158 ( -12.778 -7.604 11.947) 19.074 13.119 ( 17.125 8.574 -17.527) 25.961 14.174 ( -0.990 -6.694 -7.294) 9.949 14.295 ( 1.145 -0.971 0.244) 1.521 15.189 ( -3.742 0.790 3.554) 5.221 15.311 ( -0.688 2.735 6.624) 7.199 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 7.031 -9.900 10.317) 15.934 1.315 ( -12.860 -12.831 11.292) 21.390 1.344 ( 1.302 19.556 9.986) 21.997 2.391 ( 6.920 2.463 -5.658) 9.271 2.505 ( 0.985 -6.788 -6.649) 9.553 2.646 ( -3.899 4.896 -6.458) 8.993 3.012 ( 2.687 -1.619 2.455) 3.983 3.540 ( 7.209 2.245 5.070) 9.095 3.656 ( -13.084 -2.086 0.793) 13.273 4.314 ( -0.379 -1.190 1.122) 1.679 4.577 ( 2.450 1.998 3.960) 5.067 5.188 ( 0.855 -1.437 -1.500) 2.247 5.693 ( -4.790 0.641 3.577) 6.012 6.688 ( 2.508 -3.481 3.751) 5.699 7.010 ( 11.743 1.403 -2.085) 12.009 7.221 ( -10.041 1.499 -1.851) 10.320 7.807 ( -3.318 -4.061 -4.081) 6.645 8.226 ( 3.974 3.151 -4.964) 7.097 11.980 ( -7.203 -8.448 12.984) 17.083 13.362 ( 14.247 7.187 -20.781) 26.201 14.015 ( 0.059 -9.728 -11.034) 14.710 14.248 ( -5.102 1.789 -5.402) 7.643 15.177 ( -2.364 -0.203 9.623) 9.911 15.393 ( 0.023 3.953 9.583) 10.366 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -9.936 -12.916 10.021) 19.130 1.130 ( 10.866 -12.751 13.527) 21.533 1.636 ( 0.448 22.003 11.720) 24.933 2.355 ( 0.243 -11.557 -9.336) 14.859 2.460 ( -3.377 3.462 -7.197) 8.672 2.598 ( 0.720 5.879 -7.091) 9.239 3.119 ( 5.970 1.772 3.569) 7.178 3.415 ( -12.796 -4.938 5.425) 14.749 3.661 ( 4.560 -1.551 1.349) 5.002 4.319 ( 0.626 -0.068 1.035) 1.212 4.677 ( 3.831 1.248 6.004) 7.231 5.172 ( -0.378 0.256 -2.800) 2.837 5.684 ( -0.870 3.086 4.130) 5.228 6.730 ( 1.821 -0.943 5.211) 5.600 7.008 ( -12.316 -1.836 -4.295) 13.172 7.194 ( 10.329 -1.205 -0.864) 10.435 7.705 ( -2.015 -1.737 -5.656) 6.251 8.265 ( 1.233 2.076 -5.092) 5.635 11.915 ( 0.176 -8.746 13.350) 15.960 13.400 ( 2.700 -4.463 -22.612) 23.206 13.930 ( 3.623 -1.820 -11.246) 11.955 14.125 ( -5.131 3.547 -7.902) 10.067 15.218 ( -0.802 0.216 12.551) 12.579 15.488 ( -0.077 3.619 9.362) 10.038 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -4.823 -11.020 5.484) 13.221 1.314 ( 14.618 -12.403 13.483) 23.437 1.896 ( -3.108 19.347 10.244) 22.111 2.164 ( 0.331 -12.661 -10.938) 16.735 2.341 ( -8.010 5.284 -8.516) 12.830 2.679 ( 4.503 5.517 -4.522) 8.436 3.159 ( -10.333 -4.346 5.375) 12.432 3.272 ( 1.420 1.197 3.548) 4.005 3.731 ( 6.548 -2.517 1.297) 7.134 4.321 ( 0.424 -2.859 -0.573) 2.946 4.785 ( 4.491 -1.914 5.298) 7.204 5.161 ( -1.833 5.474 -2.428) 6.262 5.779 ( 3.956 5.498 5.303) 8.602 6.694 ( -13.854 -1.305 -2.157) 14.081 6.830 ( 2.389 -1.891 2.493) 3.937 7.312 ( 6.404 -2.936 -0.449) 7.060 7.636 ( -0.497 -1.133 -5.869) 5.998 8.252 ( -1.330 1.439 -3.972) 4.429 11.970 ( 6.829 -8.943 12.920) 17.133 13.170 ( -2.611 -11.821 -20.747) 24.021 13.811 ( -8.868 2.592 -11.031) 14.389 14.154 ( 6.296 3.362 -5.913) 9.269 15.297 ( 0.158 2.234 10.769) 11.000 15.571 ( 0.032 3.171 7.566) 8.204 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.000 0.000 18.734) 18.734 1.095 ( -0.000 0.000 18.734) 18.734 1.475 ( -0.000 0.000 25.417) 25.417 2.425 ( 0.000 -0.000 -10.463) 10.463 2.425 ( 0.000 -0.000 -10.463) 10.463 3.122 ( -0.000 0.000 8.886) 8.886 3.122 ( -0.000 0.000 8.886) 8.886 3.270 ( 0.000 -0.000 -12.967) 12.967 3.749 ( -0.000 0.000 1.304) 1.304 3.749 ( -0.000 0.000 1.304) 1.304 5.181 ( 0.000 -0.000 -2.385) 2.385 5.593 ( 0.000 -0.000 -1.525) 1.525 6.599 ( -0.000 0.000 9.592) 9.592 6.627 ( 0.000 -0.000 -2.853) 2.853 6.627 ( 0.000 -0.000 -2.853) 2.853 7.322 ( 0.000 -0.000 -0.754) 0.754 7.322 ( 0.000 -0.000 -0.754) 0.754 7.606 ( 0.000 -0.000 -3.588) 3.588 12.126 ( -0.000 0.000 15.816) 15.816 12.126 ( -0.000 0.000 15.816) 15.816 13.919 ( 0.000 -0.000 -10.386) 10.386 13.919 ( 0.000 -0.000 -10.386) 10.386 15.567 ( 0.000 -0.000 -0.813) 0.813 16.141 ( -0.000 0.000 1.025) 1.025 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -14.717 -5.637 21.536) 26.686 1.366 ( 10.112 -0.454 16.728) 19.552 1.717 ( 4.835 5.618 21.373) 22.622 2.230 ( -4.933 -3.923 -9.254) 11.197 2.509 ( 3.883 5.051 -14.122) 15.493 3.011 ( -4.673 -4.272 -1.054) 6.419 3.201 ( 0.801 -6.248 -0.383) 6.311 3.281 ( 0.704 9.161 8.035) 12.206 3.722 ( -4.157 3.483 -0.514) 5.448 3.810 ( 7.185 -3.082 -0.249) 7.822 5.067 ( -7.695 -5.560 -0.591) 9.512 5.543 ( -3.107 -1.611 -1.239) 3.712 6.522 ( -7.028 0.740 0.038) 7.067 6.605 ( -0.472 -0.635 1.670) 1.848 6.747 ( 6.926 1.381 1.910) 7.316 7.298 ( -2.784 3.030 -0.242) 4.122 7.416 ( 10.087 -2.411 -2.654) 10.705 7.622 ( 1.479 3.667 -2.929) 4.920 12.107 ( -1.708 -0.768 15.468) 15.581 12.422 ( 9.326 4.639 15.508) 18.681 13.736 ( -5.320 -3.212 -11.505) 13.076 14.013 ( 7.850 4.614 -9.076) 12.856 15.533 ( -2.384 -1.378 -1.200) 3.004 16.065 ( -6.512 -3.378 1.742) 7.540 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -9.849 -4.144 19.932) 22.615 1.623 ( 10.478 -2.141 13.766) 17.432 1.950 ( 2.233 5.273 16.115) 17.102 2.077 ( -2.715 -3.042 -7.837) 8.835 2.413 ( -8.345 1.959 -14.024) 16.436 2.955 ( 4.250 0.005 -9.812) 10.692 3.119 ( -4.354 -7.150 4.384) 9.450 3.429 ( 0.128 6.951 9.250) 11.572 3.684 ( -2.932 4.037 -2.798) 5.720 3.932 ( 10.590 -1.769 0.133) 10.737 4.861 ( -8.291 -7.149 0.339) 10.952 5.455 ( -4.185 -2.146 -1.361) 4.896 6.368 ( -8.572 -2.335 -4.312) 9.875 6.631 ( -1.258 3.359 6.456) 7.385 6.898 ( 6.831 3.831 -0.637) 7.858 7.274 ( 0.721 -4.298 1.033) 4.479 7.531 ( 5.546 1.362 -5.385) 7.849 7.698 ( 3.791 4.468 1.874) 6.152 12.233 ( 4.340 2.571 15.733) 16.522 12.676 ( 6.629 2.158 8.266) 10.813 13.569 ( -3.525 -1.691 -7.028) 8.043 14.133 ( 6.053 3.357 -5.206) 8.661 15.453 ( -3.486 -1.982 -2.223) 4.585 15.914 ( -7.564 -3.500 0.558) 8.353 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 1.518 0.675 9.960) 10.098 1.782 ( 3.610 -6.090 2.927) 7.661 1.941 ( -4.138 -2.578 -5.832) 7.601 2.104 ( -3.062 7.771 6.957) 10.870 2.224 ( -1.734 -1.018 -3.310) 3.873 2.951 ( -8.285 -1.611 3.086) 8.987 3.014 ( 5.843 -3.733 -7.933) 10.536 3.506 ( -3.150 4.902 6.428) 8.676 3.675 ( 1.546 1.357 -5.804) 6.158 4.144 ( 12.262 2.820 2.898) 12.911 4.662 ( -6.988 -6.467 -1.431) 9.629 5.351 ( -4.517 -2.145 -0.817) 5.067 6.150 ( -9.559 -4.216 -5.563) 11.836 6.694 ( -0.309 4.511 5.414) 7.054 7.004 ( -0.294 6.921 -2.851) 7.491 7.269 ( 8.193 -13.595 1.541) 15.947 7.574 ( -2.561 8.907 -1.692) 9.421 7.847 ( 7.182 1.348 5.036) 8.875 12.481 ( 8.962 4.880 16.745) 19.610 12.716 ( -2.011 -3.157 -8.315) 9.119 13.562 ( 2.937 2.764 6.244) 7.433 14.201 ( 0.896 0.152 1.050) 1.388 15.367 ( -2.316 -1.320 -3.732) 4.587 15.757 ( -6.283 -2.657 -3.517) 7.675 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 12.059 6.055 -1.953) 13.635 1.646 ( -6.840 -7.836 -9.353) 13.988 1.724 ( -10.360 -1.568 -11.938) 15.884 2.201 ( 0.692 7.389 7.471) 10.531 2.296 ( 6.626 -3.264 7.410) 10.463 2.769 ( -10.977 -4.998 6.494) 13.698 3.060 ( 5.242 0.371 -7.427) 9.098 3.517 ( -4.598 5.318 3.782) 7.983 3.686 ( 4.335 -1.283 -7.659) 8.894 4.388 ( 7.451 1.577 4.737) 8.969 4.499 ( -1.667 -2.147 -5.478) 6.116 5.257 ( -4.249 -1.677 0.423) 4.588 5.915 ( -8.387 -4.632 -5.954) 11.281 6.759 ( -0.001 4.451 0.947) 4.550 7.003 ( -4.039 4.672 -0.035) 6.176 7.275 ( 7.660 -14.134 -1.634) 16.159 7.624 ( -3.346 9.785 4.202) 11.163 8.011 ( 6.778 0.544 6.906) 9.692 12.500 ( -7.637 -5.582 -16.677) 19.173 12.814 ( 11.519 5.516 18.354) 22.360 13.742 ( 5.727 4.588 11.719) 13.827 14.171 ( -5.498 -3.280 7.396) 9.782 15.312 ( -0.238 -0.288 -5.155) 5.169 15.614 ( -3.777 -1.425 -8.762) 9.647 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 16.000 9.028 -8.657) 20.309 1.354 ( -13.096 -0.776 -11.709) 17.585 1.451 ( -6.008 -10.281 -13.893) 18.298 2.328 ( 0.194 8.000 7.935) 11.270 2.421 ( 6.256 -4.945 7.254) 10.781 2.582 ( -9.899 -3.775 7.271) 12.849 3.098 ( 3.946 -0.962 -4.748) 6.248 3.498 ( -6.459 6.659 0.269) 9.281 3.690 ( 3.326 -3.432 -6.086) 7.738 4.347 ( -2.306 -1.864 -1.623) 3.380 4.621 ( 8.132 1.647 -3.313) 8.934 5.186 ( -3.267 -0.739 2.235) 4.026 5.732 ( -4.156 -2.619 -5.511) 7.383 6.772 ( -0.634 1.645 -4.887) 5.196 6.997 ( -4.365 5.919 5.123) 8.963 7.235 ( 4.087 -11.263 -1.865) 12.126 7.682 ( -2.531 5.194 6.140) 8.431 8.160 ( 4.997 0.564 7.081) 8.685 12.198 ( -8.826 -5.613 -16.961) 19.927 13.171 ( 10.499 3.700 20.499) 23.327 13.933 ( 3.441 1.162 10.509) 11.119 14.062 ( -8.432 -1.924 11.165) 14.123 15.278 ( 0.120 -0.038 -7.236) 7.237 15.511 ( 0.022 0.418 -11.922) 11.929 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 6.341 -7.432 19.392) 21.714 1.328 ( -8.378 -4.643 20.122) 22.286 1.882 ( 1.420 10.237 18.464) 21.160 2.207 ( -1.603 -2.837 -11.428) 11.883 2.403 ( 3.411 4.611 -13.197) 14.390 2.989 ( -1.812 -8.145 -11.036) 13.836 3.152 ( -1.591 -3.848 10.778) 11.554 3.380 ( 3.291 6.640 7.391) 10.466 3.680 ( 2.969 -5.028 -1.689) 6.079 3.834 ( -3.874 6.887 -1.618) 8.066 5.067 ( -0.913 -8.404 -0.804) 8.492 5.534 ( 0.123 -3.371 -1.608) 3.737 6.457 ( 2.762 -11.113 -0.312) 11.455 6.671 ( 2.279 6.042 -1.859) 6.720 6.732 ( -3.601 0.410 6.200) 7.182 7.291 ( 3.307 -0.135 0.579) 3.360 7.417 ( -6.368 6.676 -1.976) 9.435 7.630 ( 2.471 7.945 -4.173) 9.308 12.131 ( 0.071 -9.257 16.039) 18.519 12.583 ( -0.497 16.967 14.612) 22.397 13.734 ( -0.125 0.754 -11.728) 11.753 13.909 ( 0.164 6.058 -10.225) 11.886 15.522 ( -0.007 -3.724 -0.938) 3.841 16.064 ( 0.249 -8.707 2.001) 8.938 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -14.036 -5.736 21.143) 26.018 1.467 ( 11.712 -6.917 17.344) 22.041 2.005 ( -3.188 -3.341 -9.046) 10.156 2.136 ( 0.297 7.585 11.576) 13.843 2.440 ( 0.277 4.846 -13.666) 14.502 2.806 ( 0.137 -5.980 -11.075) 12.587 3.148 ( -2.422 -4.686 7.808) 9.423 3.508 ( 1.938 -0.108 6.051) 6.355 3.746 ( 9.613 -0.684 0.817) 9.672 3.806 ( -6.172 8.745 -3.068) 11.134 4.903 ( -6.123 -10.219 0.250) 11.916 5.471 ( -2.105 -3.743 -1.399) 4.516 6.374 ( -0.860 -9.307 -2.567) 9.693 6.719 ( -1.118 -2.410 7.063) 7.546 6.788 ( 5.752 6.720 -2.505) 9.193 7.306 ( -6.184 2.015 -1.247) 6.623 7.436 ( 7.162 3.420 0.510) 7.954 7.739 ( 1.098 10.492 -2.618) 10.869 12.187 ( 5.675 -8.221 16.254) 19.078 12.806 ( -2.202 15.819 7.355) 17.584 13.622 ( -5.505 4.164 -6.322) 9.360 14.007 ( 8.380 5.792 -9.092) 13.654 15.454 ( -1.881 -5.085 -1.187) 5.550 15.951 ( -3.658 -9.681 1.567) 10.467 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -9.858 -4.692 17.962) 21.020 1.670 ( 5.914 -5.869 6.997) 10.880 1.847 ( 2.555 -8.160 -6.907) 10.992 2.275 ( -3.153 2.485 2.622) 4.795 2.301 ( -7.912 7.000 -3.927) 11.270 2.796 ( 8.201 -2.029 -9.517) 12.726 3.070 ( -5.762 -3.722 5.102) 8.549 3.529 ( 2.343 -6.177 1.682) 6.817 3.755 ( -5.901 8.305 -3.812) 10.878 3.988 ( 11.621 5.801 4.180) 13.645 4.699 ( -6.444 -9.455 0.452) 11.451 5.383 ( -3.062 -3.492 -0.864) 4.724 6.210 ( -6.538 -6.278 -5.038) 10.370 6.736 ( 1.239 -2.486 5.991) 6.604 6.937 ( 8.557 0.347 -3.236) 9.155 7.201 ( -7.260 2.806 -0.977) 7.844 7.628 ( 7.867 5.822 2.702) 10.153 7.830 ( 0.133 7.790 0.307) 7.797 12.350 ( 10.923 -7.756 15.341) 20.367 12.838 ( -8.802 10.112 -6.884) 15.071 13.643 ( 0.017 9.846 7.016) 12.091 14.144 ( 6.420 3.974 -5.146) 9.137 15.359 ( -2.180 -4.628 -1.965) 5.480 15.785 ( -5.141 -8.887 -1.316) 10.351 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.447 -0.138 7.950) 7.964 1.527 ( -2.997 -11.661 -13.176) 17.849 1.866 ( -5.324 -0.929 -1.534) 5.618 2.141 ( 3.001 -1.166 -2.069) 3.828 2.380 ( -2.103 6.735 8.604) 11.127 2.819 ( 1.433 -9.452 0.149) 9.561 3.002 ( -1.959 4.941 -1.668) 5.570 3.507 ( 3.670 -8.043 -0.930) 8.889 3.724 ( -5.576 9.880 -4.143) 12.078 4.266 ( 11.384 5.002 3.512) 12.921 4.516 ( -5.592 -6.917 -0.304) 8.900 5.297 ( -3.018 -2.980 -0.006) 4.241 5.990 ( -9.009 -3.699 -6.331) 11.615 6.775 ( 1.433 -0.400 2.244) 2.693 6.995 ( 6.267 -12.895 -0.507) 14.346 7.149 ( -3.959 9.398 -1.634) 10.328 7.799 ( -1.036 10.779 2.389) 11.089 7.929 ( 6.389 0.439 5.269) 8.293 12.470 ( -0.755 -4.424 -5.198) 6.867 12.784 ( 3.446 2.766 7.669) 8.851 13.840 ( 1.916 12.334 11.726) 17.126 14.221 ( 1.178 0.620 0.932) 1.626 15.280 ( -0.852 -2.644 -3.408) 4.397 15.599 ( -4.616 -7.069 -6.169) 10.456 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 11.326 5.149 -3.291) 12.870 1.267 ( -3.548 -12.777 -13.937) 19.237 1.627 ( -15.900 3.425 -10.683) 19.460 2.268 ( 9.054 -3.991 5.931) 11.536 2.470 ( -0.817 7.380 7.369) 10.461 2.693 ( -4.905 -9.349 4.535) 11.490 3.031 ( 0.322 2.723 -2.836) 3.945 3.507 ( 6.603 -7.352 -2.312) 10.149 3.700 ( -6.393 10.324 -4.250) 12.865 4.378 ( -4.093 -3.395 0.377) 5.331 4.488 ( 8.366 2.790 -1.088) 8.886 5.228 ( -2.316 -2.417 1.033) 3.503 5.786 ( -7.513 -0.416 -5.907) 9.566 6.769 ( -1.864 -0.135 -3.829) 4.261 6.974 ( 7.172 -14.122 5.171) 16.662 7.184 ( -2.321 9.013 -1.866) 9.492 7.837 ( -5.084 6.364 3.336) 8.802 8.096 ( 7.549 -0.442 6.551) 10.005 12.247 ( -11.134 0.505 -15.617) 19.186 13.052 ( 15.115 -4.569 19.122) 24.800 14.034 ( -0.736 8.317 10.446) 13.373 14.211 ( -3.758 -0.575 6.914) 7.890 15.234 ( -0.103 -0.819 -5.428) 5.491 15.440 ( -1.382 -3.138 -10.719) 11.254 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 11.041 -7.712 21.680) 25.523 1.610 ( -12.054 -2.539 17.343) 21.273 2.054 ( 0.838 8.274 12.083) 14.668 2.088 ( 3.765 -2.785 -9.946) 10.993 2.282 ( 2.697 -3.274 -14.820) 15.415 2.892 ( -1.593 -0.940 -10.590) 10.751 3.213 ( 0.525 -5.209 9.719) 11.039 3.427 ( 0.992 4.311 8.122) 9.249 3.588 ( -1.032 -6.254 -3.018) 7.020 3.963 ( -3.253 9.440 -2.424) 10.274 4.941 ( 5.102 -7.939 -0.747) 9.466 5.468 ( 2.217 -3.822 -1.253) 4.593 6.302 ( 1.063 -13.052 -0.251) 13.098 6.678 ( 3.257 4.861 1.898) 6.151 6.828 ( -4.342 -0.270 1.794) 4.706 7.283 ( -1.870 -0.657 1.559) 2.522 7.597 ( -2.994 12.036 -4.178) 13.087 7.638 ( 0.046 5.866 -1.234) 5.994 12.188 ( -5.716 -7.834 16.140) 18.829 12.828 ( 1.344 16.931 7.208) 18.451 13.616 ( 5.973 3.742 -6.911) 9.872 14.006 ( -8.587 5.867 -9.120) 13.832 15.454 ( 1.887 -5.118 -1.095) 5.564 15.941 ( 4.053 -10.385 2.103) 11.344 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 8.938 -6.116 19.585) 22.380 1.446 ( -12.216 -7.954 19.903) 24.670 1.914 ( -2.416 -10.298 -17.362) 20.330 2.257 ( 2.926 7.599 9.938) 12.848 2.331 ( 7.440 5.002 -10.250) 13.618 2.749 ( -5.034 -1.699 -10.042) 11.361 3.222 ( -2.659 -2.325 10.643) 11.214 3.444 ( 0.118 -8.607 -0.650) 8.632 3.624 ( 7.409 2.166 3.138) 8.333 3.981 ( -4.129 11.111 -2.645) 12.145 4.866 ( -1.866 -10.981 -0.595) 11.154 5.440 ( 0.042 -4.336 -0.929) 4.435 6.216 ( 3.624 -13.119 0.905) 13.640 6.742 ( -2.630 -0.105 1.363) 2.964 6.818 ( 1.100 4.913 1.694) 5.313 7.317 ( 6.022 0.657 0.910) 6.126 7.511 ( -9.733 6.151 -1.531) 11.615 7.801 ( 3.358 13.113 -3.918) 14.091 12.148 ( -0.104 -8.954 16.457) 18.735 13.038 ( -1.033 17.224 -0.390) 17.259 13.719 ( 0.344 8.569 -2.022) 8.811 13.913 ( 0.105 6.745 -9.980) 12.046 15.406 ( -0.022 -6.843 -0.214) 6.847 15.877 ( 0.434 -12.902 2.485) 13.146 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -13.886 -7.373 18.970) 24.639 1.542 ( 10.715 -6.151 16.047) 20.252 1.651 ( -0.836 -13.507 -17.209) 21.893 2.342 ( -3.223 1.947 -6.246) 7.293 2.435 ( 1.598 6.642 0.531) 6.852 2.655 ( 0.915 3.056 -4.678) 5.662 3.166 ( -6.382 -3.088 6.618) 9.698 3.394 ( 4.575 -9.083 -1.401) 10.266 3.769 ( 5.717 0.653 -0.507) 5.776 4.042 ( -1.452 13.875 1.595) 14.042 4.694 ( -4.583 -11.369 0.684) 12.277 5.379 ( -1.591 -4.265 -0.574) 4.588 6.151 ( 1.630 -10.657 -1.189) 10.847 6.702 ( -0.528 -4.021 3.813) 5.567 6.877 ( 0.291 3.759 -1.844) 4.197 7.395 ( -9.656 6.856 -2.033) 12.016 7.503 ( 11.806 1.984 2.807) 12.297 7.931 ( 0.050 11.744 -2.892) 12.095 12.214 ( 6.359 -8.798 16.477) 19.732 13.055 ( -9.481 12.465 -12.676) 20.148 13.814 ( -0.974 13.010 7.884) 15.243 14.021 ( 8.329 6.536 -8.434) 13.536 15.327 ( -1.224 -6.547 0.184) 6.663 15.741 ( -2.557 -13.106 1.011) 13.391 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -9.373 -5.851 14.385) 18.139 1.366 ( -2.377 -13.197 -15.988) 20.867 1.797 ( 11.345 -4.669 12.821) 17.746 2.175 ( -8.968 1.260 -11.152) 14.366 2.513 ( -0.392 6.217 1.997) 6.541 2.707 ( 1.919 -1.167 0.436) 2.288 3.087 ( -3.070 0.659 2.107) 3.781 3.361 ( 2.301 -8.937 -1.314) 9.322 3.825 ( 0.884 4.275 -4.304) 6.131 4.216 ( 4.522 10.534 4.028) 12.151 4.524 ( -4.060 -9.417 1.887) 10.427 5.304 ( -2.095 -4.011 -0.220) 4.530 6.035 ( -3.936 -5.704 -4.088) 8.046 6.703 ( 3.711 -6.593 4.926) 9.029 6.872 ( -1.074 -0.982 -3.024) 3.356 7.310 ( -6.495 7.221 -2.279) 9.976 7.752 ( 11.950 1.953 4.457) 12.903 7.997 ( -2.815 9.197 -1.501) 9.735 12.361 ( 8.177 -7.126 11.993) 16.170 12.887 ( -10.069 7.456 -11.385) 16.929 14.014 ( 1.475 13.547 9.723) 16.740 14.162 ( 6.257 4.207 -5.150) 9.131 15.251 ( -1.150 -4.338 -0.282) 4.496 15.558 ( -4.154 -11.338 -1.993) 12.238 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.460 -0.970 4.944) 5.059 1.127 ( -2.445 -9.502 -12.206) 15.661 1.846 ( -11.327 2.660 -5.104) 12.705 2.103 ( 8.834 -3.805 3.726) 10.315 2.583 ( 0.713 5.847 1.627) 6.111 2.663 ( -2.731 -6.364 2.798) 7.470 3.095 ( -2.279 4.030 1.210) 4.786 3.300 ( 4.541 -9.699 -3.455) 11.253 3.851 ( -1.962 7.915 -3.459) 8.858 4.398 ( 0.262 0.240 -0.913) 0.980 4.412 ( 2.225 0.526 4.576) 5.115 5.233 ( -1.618 -3.666 0.204) 4.012 5.879 ( -6.745 -0.378 -5.117) 8.475 6.746 ( 6.681 -10.977 3.877) 13.423 6.793 ( -3.471 -0.713 -2.473) 4.321 7.295 ( -2.404 7.026 -1.428) 7.562 7.975 ( 10.001 -0.484 4.696) 11.059 7.999 ( -5.115 5.968 -0.036) 7.860 12.367 ( -7.748 2.802 -8.569) 11.887 12.875 ( 8.774 -4.422 10.832) 14.624 14.187 ( -1.070 6.882 6.690) 9.657 14.249 ( 2.971 2.513 0.288) 3.902 15.207 ( -0.413 -0.995 -1.768) 2.071 15.380 ( -3.104 -6.240 -5.354) 8.789 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 7.404 -4.302 18.400) 20.295 1.854 ( -5.499 -2.773 9.413) 11.249 1.881 ( 2.757 -10.742 -11.056) 15.660 2.043 ( 4.613 0.194 -6.692) 8.130 2.257 ( -1.472 6.698 5.973) 9.094 2.881 ( -2.678 0.972 -9.418) 9.840 3.134 ( 6.307 -5.106 6.596) 10.457 3.451 ( 1.274 -2.531 0.072) 2.835 3.625 ( -5.418 1.058 2.310) 5.984 4.114 ( -5.846 8.983 -0.884) 10.754 4.753 ( 7.525 -6.531 -1.971) 10.157 5.378 ( 3.256 -3.625 -0.668) 4.918 6.153 ( 2.916 -10.188 -1.754) 10.742 6.679 ( 2.073 1.004 4.503) 5.058 6.889 ( -3.863 -1.866 -1.503) 4.546 7.354 ( -6.623 -2.491 1.843) 7.312 7.595 ( 8.254 13.121 -4.056) 16.023 7.821 ( -7.706 5.856 2.921) 10.110 12.358 ( -11.169 -6.883 15.107) 20.008 12.872 ( 9.321 11.165 -8.447) 16.819 13.623 ( 0.056 8.959 7.352) 11.589 14.150 ( -6.660 4.489 -5.262) 9.602 15.360 ( 2.184 -4.652 -1.751) 5.429 15.767 ( 5.078 -9.856 -0.450) 11.096 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 10.017 -6.483 19.764) 23.087 1.657 ( -1.631 -15.183 -14.061) 20.758 1.728 ( -10.265 -9.509 12.005) 18.437 2.162 ( 9.007 6.818 -9.977) 15.072 2.368 ( 0.746 6.704 7.612) 10.171 2.784 ( -3.917 2.732 -8.861) 10.066 3.191 ( 4.721 -7.308 4.202) 9.662 3.443 ( -2.876 -5.151 0.510) 5.921 3.588 ( -0.573 3.141 5.632) 6.474 4.123 ( -2.644 10.140 -2.540) 10.782 4.749 ( 2.645 -9.557 -2.166) 10.150 5.381 ( 1.713 -3.828 -0.522) 4.226 6.061 ( 0.681 -12.518 2.556) 12.795 6.800 ( -2.769 -0.372 1.169) 3.029 6.828 ( 5.136 3.978 2.675) 7.025 7.253 ( -0.954 -2.070 -2.012) 3.040 7.738 ( -9.612 6.399 -0.265) 11.550 7.831 ( 5.643 13.019 -2.815) 14.466 12.219 ( -6.712 -8.541 16.000) 19.339 13.080 ( 8.637 12.408 -14.294) 20.806 13.801 ( 1.703 13.218 8.513) 15.814 14.023 ( -8.800 6.665 -8.489) 13.926 15.329 ( 1.171 -6.563 0.306) 6.674 15.728 ( 3.183 -13.469 1.892) 13.968 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 7.911 -10.987 1.064) 13.580 1.399 ( 0.660 -9.927 1.196) 10.020 1.511 ( -11.485 -11.587 13.778) 21.354 2.314 ( 5.912 6.771 -9.105) 12.794 2.439 ( -0.409 1.677 -0.198) 1.738 2.742 ( -2.964 8.108 -0.707) 8.662 3.188 ( 4.025 -11.350 -4.408) 12.824 3.326 ( -7.271 -0.859 10.065) 12.447 3.676 ( 5.101 0.200 0.139) 5.106 4.195 ( -0.590 12.024 -0.470) 12.048 4.641 ( -1.934 -10.830 -0.660) 11.021 5.353 ( -0.301 -3.810 -0.445) 3.848 5.988 ( 3.051 -12.280 2.910) 12.984 6.733 ( -3.268 -2.009 2.020) 4.335 6.935 ( -1.922 4.786 1.022) 5.257 7.312 ( 10.970 -0.891 -1.155) 11.066 7.623 ( -10.081 6.603 -1.794) 12.184 8.002 ( 2.736 11.392 -3.908) 12.350 12.172 ( -0.049 -9.066 16.808) 19.097 13.186 ( -0.423 13.023 -19.443) 23.405 13.929 ( -0.672 7.046 -9.952) 12.212 14.019 ( 0.729 13.023 9.279) 16.007 15.279 ( -0.044 -6.412 1.830) 6.668 15.635 ( 0.293 -14.437 2.943) 14.736 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.941 -9.663 -12.705) 15.990 1.273 ( -12.024 -10.700 13.917) 21.278 1.620 ( 12.603 -6.120 15.034) 20.550 2.269 ( -7.316 1.783 -9.427) 12.065 2.502 ( 4.843 4.926 -5.165) 8.625 2.774 ( -3.923 3.749 3.754) 6.598 3.094 ( 1.003 -6.645 -2.453) 7.154 3.300 ( -2.547 -1.744 5.952) 6.705 3.759 ( 5.455 0.593 -2.333) 5.962 4.320 ( 0.643 11.880 1.846) 12.040 4.497 ( -2.788 -9.574 1.656) 10.108 5.294 ( -1.701 -3.940 -0.458) 4.316 5.947 ( 3.021 -9.871 0.967) 10.368 6.676 ( -2.695 -2.229 2.466) 4.279 6.906 ( -3.703 1.293 -1.019) 4.053 7.448 ( -1.571 0.712 -0.872) 1.932 7.596 ( 7.015 5.105 -0.730) 8.707 8.097 ( -0.275 8.860 -3.987) 9.720 12.239 ( 6.230 -8.944 16.579) 19.841 13.082 ( -10.943 11.800 -19.166) 25.026 14.011 ( 7.995 6.771 -9.220) 13.956 14.188 ( 0.533 8.791 5.581) 10.426 15.232 ( -0.729 -4.293 2.631) 5.088 15.501 ( -2.516 -12.275 3.252) 12.945 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -1.413 -0.549 -3.912) 4.196 1.080 ( -7.561 -7.393 9.027) 13.903 1.861 ( 12.204 -5.431 12.572) 18.343 2.073 ( -10.191 2.281 -10.624) 14.898 2.569 ( 0.958 1.345 -3.434) 3.810 2.725 ( -2.262 -0.376 0.685) 2.393 3.090 ( 3.240 -1.450 -1.872) 4.013 3.238 ( -5.248 -3.611 3.845) 7.440 3.853 ( 5.117 3.236 -2.219) 6.448 4.397 ( -1.034 -6.415 4.411) 7.854 4.457 ( 0.398 10.582 0.782) 10.619 5.221 ( -1.716 -4.201 -0.448) 4.559 5.900 ( -0.036 -4.550 -1.235) 4.715 6.626 ( -0.779 -4.922 1.656) 5.251 6.841 ( -3.643 -0.251 -0.427) 3.676 7.390 ( -3.859 3.703 -2.083) 5.740 7.804 ( 11.577 -0.357 1.583) 11.690 8.118 ( -3.099 5.757 -3.379) 7.360 12.373 ( 6.268 -5.644 10.944) 13.817 12.892 ( -9.170 6.949 -10.739) 15.739 14.164 ( 7.862 4.500 -6.777) 11.313 14.259 ( 0.216 0.962 -0.399) 1.064 15.209 ( -0.687 -1.028 2.660) 2.934 15.372 ( -3.804 -5.801 3.151) 7.619 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -0.724 1.172 8.391) 8.503 1.552 ( 4.859 -17.229 -15.248) 23.515 1.845 ( 9.829 6.758 -9.115) 15.012 2.087 ( -7.883 -5.815 9.577) 13.699 2.396 ( -1.736 7.810 6.422) 10.259 2.832 ( 2.802 -6.328 -0.500) 6.939 3.055 ( 1.998 1.551 -0.322) 2.550 3.399 ( -1.503 -5.562 -3.409) 6.694 3.720 ( -0.649 5.221 0.692) 5.307 4.329 ( -9.557 7.295 1.098) 12.073 4.547 ( 7.561 -5.269 -3.829) 9.979 5.286 ( 3.281 -3.497 0.289) 4.804 5.980 ( 6.881 -5.070 -2.827) 9.003 6.683 ( -1.075 -3.002 2.235) 3.894 6.908 ( -2.576 -3.127 -1.423) 4.294 7.442 ( -5.519 -5.302 0.340) 7.661 7.576 ( 6.932 14.086 0.689) 15.714 8.014 ( -6.134 4.504 5.168) 9.199 12.493 ( 0.871 -3.458 -6.226) 7.175 12.801 ( -3.288 3.390 6.779) 8.262 13.814 ( -2.023 11.417 11.971) 16.666 14.232 ( -0.730 1.041 1.063) 1.657 15.283 ( 0.783 -2.425 -3.321) 4.186 15.582 ( 4.249 -7.912 -5.308) 10.433 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 6.729 -4.544 15.019) 17.074 1.350 ( 2.901 -16.852 -16.618) 23.844 1.927 ( -10.131 -8.574 11.041) 17.265 2.027 ( 8.964 7.993 -7.721) 14.278 2.473 ( -1.317 6.056 5.036) 7.986 2.782 ( 0.179 -1.540 -6.119) 6.312 3.099 ( 1.192 -2.664 2.037) 3.559 3.357 ( 4.435 -4.308 -1.637) 6.396 3.738 ( -5.233 3.826 4.931) 8.145 4.264 ( -5.691 7.949 -1.276) 9.859 4.576 ( 5.503 -7.295 -3.787) 9.891 5.303 ( 2.797 -3.589 -0.174) 4.553 5.972 ( 0.117 -8.516 2.607) 8.907 6.746 ( 8.196 1.506 0.887) 8.381 6.834 ( -2.439 -2.685 0.562) 3.670 7.296 ( -6.574 -2.056 -0.558) 6.910 7.823 ( 6.747 12.385 -3.461) 14.522 7.954 ( -8.176 3.524 3.053) 9.412 12.373 ( -8.974 -6.927 10.910) 15.733 12.900 ( 10.239 7.038 -13.224) 18.145 13.994 ( -0.410 13.616 10.367) 17.118 14.178 ( -6.950 4.682 -5.354) 9.944 15.254 ( 1.037 -4.254 -0.380) 4.395 15.542 ( 4.407 -11.667 -0.335) 12.476 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 2.086 -10.654 -12.080) 16.241 1.258 ( 8.671 -8.216 14.264) 18.605 1.713 ( -12.228 -10.907 13.176) 21.026 2.209 ( 8.517 7.769 -7.166) 13.574 2.487 ( -3.762 2.287 -2.252) 4.945 2.806 ( 5.104 2.997 -0.785) 5.971 3.037 ( -2.791 -5.546 -3.396) 7.077 3.430 ( 4.127 -1.419 6.558) 7.877 3.672 ( -6.592 0.758 2.225) 6.998 4.298 ( -0.137 9.505 -0.315) 9.511 4.540 ( 1.597 -8.190 -2.812) 8.806 5.304 ( 1.511 -3.454 -0.711) 3.836 5.885 ( -1.266 -10.240 5.200) 11.555 6.772 ( -2.233 -2.025 1.536) 3.383 6.964 ( 10.352 3.560 3.124) 11.384 7.178 ( -3.337 -0.848 -4.063) 5.326 7.834 ( -9.531 3.784 -1.106) 10.314 8.014 ( 4.824 9.466 -4.371) 11.489 12.238 ( -6.328 -8.866 15.628) 19.049 13.078 ( 10.951 10.800 -20.250) 25.429 14.035 ( -8.897 7.435 -9.465) 14.968 14.172 ( 0.266 8.924 6.182) 10.860 15.232 ( 0.696 -4.332 2.349) 4.977 15.498 ( 2.678 -12.201 4.561) 13.298 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 1.018 0.105 -6.522) 6.602 1.432 ( 6.591 -9.743 14.124) 18.381 1.477 ( -8.323 -10.523 15.025) 20.144 2.336 ( -1.402 4.961 -7.532) 9.128 2.427 ( 2.870 3.282 -6.404) 7.747 2.878 ( -4.573 -8.520 -4.571) 10.695 2.954 ( 5.898 3.707 3.162) 7.651 3.453 ( -8.325 0.932 9.444) 12.624 3.652 ( 5.625 -0.202 -2.301) 6.081 4.402 ( 0.874 2.684 4.259) 5.109 4.464 ( -0.266 -0.668 -2.884) 2.972 5.274 ( -0.487 -3.427 -1.289) 3.694 5.816 ( 1.502 -9.823 4.860) 11.062 6.731 ( -2.662 -0.946 2.959) 4.091 7.013 ( -7.382 2.212 -0.178) 7.708 7.268 ( 14.672 -1.720 -1.125) 14.815 7.699 ( -8.394 4.079 -3.773) 10.066 8.128 ( 2.493 7.339 -5.851) 9.711 12.192 ( 0.239 -9.674 16.944) 19.513 13.182 ( 0.869 13.121 -22.125) 25.738 13.944 ( -1.113 6.700 -10.286) 12.326 14.250 ( 0.273 1.572 -0.816) 1.792 15.225 ( 0.075 -2.630 4.631) 5.326 15.454 ( -0.210 -8.842 8.438) 12.224 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.058 11.652 3.083) 12.053 1.224 ( -11.108 -11.504 12.796) 20.481 1.648 ( 12.705 -8.231 12.642) 19.723 2.209 ( -8.661 3.411 -8.563) 12.648 2.535 ( 4.885 4.776 -5.519) 8.783 2.685 ( -2.508 -10.172 -5.769) 11.960 3.072 ( 1.183 3.106 3.133) 4.567 3.348 ( -7.588 -1.783 4.686) 9.094 3.764 ( 6.488 1.388 0.472) 6.651 4.371 ( -0.061 -5.491 4.321) 6.987 4.558 ( 1.202 10.359 0.537) 10.443 5.207 ( -1.978 -3.808 -1.660) 4.601 5.803 ( 3.694 -7.130 3.503) 8.761 6.679 ( -5.515 -0.012 1.561) 5.731 6.905 ( -4.891 -0.607 -0.354) 4.941 7.426 ( 3.592 -2.328 0.341) 4.294 7.647 ( 3.760 3.077 -4.502) 6.624 8.171 ( -0.285 4.964 -5.912) 7.725 12.257 ( 6.446 -9.715 16.724) 20.387 13.089 ( -10.552 12.420 -19.073) 25.087 14.018 ( 8.281 6.138 -10.118) 14.444 14.197 ( 0.096 -7.283 -7.607) 10.532 15.237 ( -0.543 -0.862 5.932) 6.019 15.428 ( -2.572 -2.437 9.911) 10.525 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.000 0.000 17.163) 17.163 1.417 ( -0.000 0.000 17.163) 17.163 1.910 ( -0.000 0.000 22.938) 22.938 2.221 ( 0.000 -0.000 -12.216) 12.216 2.221 ( 0.000 -0.000 -12.216) 12.216 3.014 ( 0.000 -0.000 -15.358) 15.358 3.299 ( -0.000 0.000 10.440) 10.440 3.299 ( -0.000 0.000 10.440) 10.440 3.736 ( 0.000 -0.000 -2.771) 2.771 3.736 ( 0.000 -0.000 -2.771) 2.771 5.152 ( 0.000 -0.000 -0.973) 0.973 5.557 ( 0.000 -0.000 -2.174) 2.174 6.581 ( 0.000 -0.000 -2.179) 2.179 6.581 ( 0.000 -0.000 -2.179) 2.179 6.765 ( -0.000 0.000 8.400) 8.400 7.309 ( 0.000 -0.000 -0.596) 0.596 7.309 ( 0.000 -0.000 -0.596) 0.596 7.537 ( 0.000 -0.000 -3.891) 3.891 12.413 ( -0.000 0.000 15.489) 15.489 12.413 ( -0.000 0.000 15.489) 15.489 13.720 ( 0.000 -0.000 -11.388) 11.388 13.720 ( 0.000 -0.000 -11.388) 11.388 15.554 ( 0.000 -0.000 -0.600) 0.600 16.157 ( -0.000 0.000 0.753) 0.753 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -12.157 -4.498 20.239) 24.035 1.647 ( 8.043 -0.438 14.571) 16.649 2.039 ( -1.901 -5.464 -8.178) 10.018 2.085 ( 0.671 4.698 15.465) 16.177 2.249 ( 1.062 4.875 -14.577) 15.408 2.845 ( -3.542 -3.939 -13.463) 14.468 3.307 ( -0.914 -5.274 9.036) 10.502 3.456 ( 1.886 7.464 10.046) 12.657 3.671 ( -3.946 2.305 -4.971) 6.752 3.779 ( 6.828 -1.930 -3.365) 7.853 5.058 ( -6.905 -4.707 -0.318) 8.363 5.514 ( -2.609 -1.429 -1.654) 3.403 6.489 ( -6.967 -2.722 -2.240) 7.808 6.622 ( 3.134 4.404 -0.016) 5.406 6.821 ( 2.126 -1.178 4.821) 5.399 7.302 ( -0.601 0.677 0.525) 1.046 7.376 ( 6.450 -0.453 -1.578) 6.656 7.574 ( 3.964 4.644 -2.451) 6.579 12.401 ( -1.569 -0.642 16.754) 16.839 12.648 ( 5.457 2.452 8.010) 9.998 13.557 ( -3.105 -1.647 -6.857) 7.706 13.828 ( 9.688 5.649 -11.193) 15.844 15.515 ( -2.934 -1.709 -0.752) 3.477 16.089 ( -6.033 -3.336 0.975) 6.963 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -12.660 -6.037 21.488) 25.661 1.801 ( 2.732 -5.547 -0.437) 6.199 1.933 ( 2.278 -2.419 -0.766) 3.410 2.132 ( -7.899 4.449 -14.294) 16.927 2.243 ( 0.714 4.527 12.905) 13.695 2.752 ( 4.907 -0.989 -11.614) 12.647 3.239 ( -5.390 -7.657 7.628) 12.077 3.558 ( -5.596 8.034 -0.989) 9.841 3.619 ( 1.309 -0.940 0.942) 1.867 3.925 ( 11.937 2.221 -0.629) 12.158 4.861 ( -9.052 -6.420 -0.162) 11.099 5.433 ( -3.780 -2.027 -0.854) 4.374 6.296 ( -9.307 -4.530 -3.595) 10.958 6.716 ( 0.224 4.845 3.005) 5.705 6.884 ( 3.881 1.949 -0.965) 4.449 7.296 ( 4.039 -8.511 1.275) 9.507 7.476 ( 1.730 7.911 -0.813) 8.138 7.724 ( 8.261 4.612 1.133) 9.529 12.544 ( 4.350 3.162 18.417) 19.186 12.680 ( -1.986 -2.787 -8.019) 8.719 13.556 ( 3.261 2.425 5.767) 7.055 13.999 ( 10.428 5.948 -9.479) 15.296 15.422 ( -4.474 -2.624 -1.248) 5.334 15.920 ( -9.185 -4.968 -0.048) 10.443 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -8.600 -5.386 17.094) 19.878 1.665 ( -0.785 -10.523 -12.999) 16.742 1.784 ( -15.219 3.686 -13.273) 20.527 2.167 ( 7.781 1.130 6.440) 10.163 2.345 ( 0.005 2.386 8.911) 9.225 2.820 ( 7.236 3.660 -8.180) 11.518 3.085 ( -7.870 -8.581 6.572) 13.370 3.499 ( -4.738 7.250 -8.124) 11.875 3.644 ( 1.850 -3.853 3.104) 5.283 4.181 ( 12.360 5.255 1.290) 13.493 4.642 ( -9.275 -5.717 -0.702) 10.918 5.346 ( -3.812 -1.912 0.151) 4.267 6.057 ( -9.518 -6.192 -4.651) 12.270 6.750 ( -1.664 2.795 0.749) 3.338 6.960 ( 0.794 6.327 -1.897) 6.653 7.288 ( 6.953 -13.966 1.134) 15.642 7.585 ( -0.750 12.023 2.084) 12.226 7.930 ( 9.450 2.635 4.223) 10.681 12.477 ( -7.204 -4.726 -16.435) 18.557 12.819 ( 9.332 4.995 20.392) 22.975 13.735 ( 6.173 4.373 11.246) 13.554 14.160 ( 7.614 4.031 -5.484) 10.212 15.313 ( -3.914 -2.324 -2.248) 5.076 15.694 ( -9.970 -5.396 -3.510) 11.867 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 4.322 -5.927 17.444) 18.924 1.666 ( -6.296 -1.370 17.656) 18.795 1.957 ( -2.403 -5.771 -13.965) 15.301 2.163 ( 3.898 4.253 -13.188) 14.394 2.219 ( 2.023 4.749 15.889) 16.706 2.755 ( -1.688 -5.415 -14.131) 15.227 3.348 ( -2.999 -3.690 10.661) 11.674 3.533 ( 3.607 4.389 8.614) 10.318 3.612 ( 3.506 -3.834 -5.590) 7.632 3.774 ( -3.911 6.828 -5.173) 9.417 5.058 ( -0.483 -8.105 -0.300) 8.125 5.505 ( 0.041 -2.806 -1.329) 3.105 6.449 ( 1.293 -9.766 -0.142) 9.853 6.639 ( 0.885 6.627 -1.447) 6.841 6.836 ( -1.383 -1.495 4.500) 4.939 7.305 ( 2.801 0.868 0.748) 3.026 7.385 ( -5.407 5.931 -1.545) 8.173 7.565 ( 2.275 7.690 -2.760) 8.481 12.422 ( 0.118 -8.731 15.720) 17.982 12.764 ( -0.442 11.506 3.432) 12.015 13.578 ( 0.195 3.669 -3.596) 5.141 13.713 ( -0.007 6.842 -11.085) 13.027 15.509 ( -0.012 -3.858 -0.428) 3.882 16.091 ( 0.084 -7.395 0.966) 7.459 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -12.124 -6.181 19.534) 23.807 1.725 ( -0.875 -5.529 -0.880) 5.667 1.787 ( 6.704 -8.078 -0.290) 10.501 2.184 ( -1.553 6.337 -14.424) 15.831 2.373 ( 0.498 4.358 10.352) 11.243 2.607 ( 0.981 -2.345 -8.932) 9.287 3.298 ( -5.157 -5.607 8.149) 11.155 3.542 ( 3.222 -6.805 -2.848) 8.050 3.721 ( -3.078 4.343 -5.801) 7.873 3.799 ( 6.745 10.578 4.951) 13.487 4.910 ( -5.574 -9.801 0.629) 11.293 5.451 ( -1.949 -3.339 -0.710) 3.931 6.332 ( -4.234 -8.779 -2.017) 9.953 6.744 ( 5.336 5.774 -2.244) 8.176 6.820 ( -0.727 -2.596 3.754) 4.622 7.293 ( -6.253 1.959 -0.072) 6.553 7.464 ( 8.914 4.263 2.306) 10.147 7.691 ( 2.930 10.169 -2.672) 10.915 12.479 ( 4.981 -8.117 14.561) 17.399 12.792 ( -5.917 8.122 -7.391) 12.474 13.629 ( -0.226 9.551 6.300) 11.444 13.825 ( 9.737 7.324 -10.393) 16.014 15.440 ( -2.519 -4.926 -0.357) 5.545 15.970 ( -4.870 -9.419 0.472) 10.614 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -12.629 -8.520 18.193) 23.729 1.508 ( -3.038 -10.769 -15.285) 18.943 1.936 ( 0.585 -1.978 4.523) 4.972 2.052 ( -1.140 2.483 -9.308) 9.701 2.441 ( -0.041 2.848 2.776) 3.977 2.679 ( 6.912 3.513 -0.599) 7.777 3.171 ( -6.682 -6.646 5.003) 10.669 3.500 ( 1.063 -5.574 -4.192) 7.055 3.681 ( -3.328 6.172 -4.528) 8.347 4.063 ( 9.665 7.860 3.984) 13.080 4.716 ( -6.992 -8.677 1.451) 11.238 5.375 ( -2.633 -3.293 -0.023) 4.216 6.124 ( -8.626 -6.550 -4.343) 11.669 6.802 ( -1.737 0.499 1.374) 2.270 6.880 ( 8.773 -1.406 -3.035) 9.389 7.211 ( -4.880 0.355 2.001) 5.286 7.690 ( 6.239 8.798 3.827) 11.445 7.825 ( 5.714 5.751 -0.749) 8.141 12.476 ( -5.404 -2.500 -8.739) 10.574 12.803 ( 6.121 0.710 11.594) 13.130 13.816 ( 2.776 11.799 10.038) 15.738 14.009 ( 10.104 6.702 -8.899) 15.040 15.336 ( -3.616 -4.459 -0.701) 5.784 15.759 ( -8.189 -9.900 -1.568) 12.943 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 9.339 -7.643 19.636) 23.048 1.821 ( -0.458 -9.243 -17.061) 19.409 1.898 ( -5.975 1.562 13.336) 14.696 2.023 ( 4.006 -0.768 -11.106) 11.831 2.310 ( 1.626 3.631 12.183) 12.817 2.682 ( -2.303 1.143 -11.994) 12.266 3.363 ( 2.984 -7.281 4.677) 9.154 3.499 ( 4.916 -0.416 -2.089) 5.358 3.596 ( -5.051 -0.287 7.399) 8.963 3.896 ( -4.475 10.186 -4.963) 12.183 4.925 ( 5.295 -8.860 -0.935) 10.364 5.450 ( 2.021 -3.343 -0.596) 3.952 6.306 ( 3.362 -10.839 0.821) 11.378 6.709 ( -0.432 6.235 1.720) 6.482 6.850 ( -0.502 -1.607 0.148) 1.690 7.297 ( -3.396 -2.692 -0.073) 4.334 7.516 ( 1.695 12.022 -3.709) 12.695 7.651 ( -6.399 6.804 1.645) 9.484 12.476 ( -4.907 -7.889 14.389) 17.127 12.805 ( 5.552 8.449 -8.333) 13.102 13.622 ( 0.368 9.226 6.665) 11.387 13.826 ( -9.772 7.410 -10.190) 15.944 15.441 ( 2.500 -4.890 -0.400) 5.507 15.967 ( 4.992 -9.630 0.820) 10.878 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.228 -13.620 -18.405) 22.897 1.595 ( 5.198 -5.222 15.362) 17.037 1.802 ( -10.453 -7.756 16.645) 21.130 2.117 ( 7.167 6.900 -10.701) 14.611 2.416 ( -0.506 1.063 -0.126) 1.184 2.604 ( -1.193 4.472 -0.585) 4.666 3.360 ( 5.429 -8.387 -3.641) 10.633 3.426 ( -8.707 -3.766 7.484) 12.083 3.668 ( 4.866 0.873 0.160) 4.946 3.933 ( -1.428 13.369 -1.991) 13.591 4.860 ( -0.457 -11.244 -0.100) 11.253 5.428 ( -0.040 -3.944 -0.294) 3.955 6.243 ( 1.491 -11.871 2.234) 12.172 6.746 ( -2.209 3.222 -0.653) 3.961 6.857 ( -0.444 2.028 2.112) 2.961 7.316 ( 8.764 -0.189 -0.802) 8.803 7.486 ( -9.677 6.331 -1.295) 11.636 7.748 ( 2.467 12.067 -1.946) 12.470 12.447 ( 0.131 -8.357 16.096) 18.137 12.865 ( -0.315 8.596 -16.076) 18.233 13.721 ( -0.061 7.389 -10.960) 13.218 13.815 ( 0.164 13.362 9.953) 16.662 15.408 ( -0.012 -5.959 0.410) 5.973 15.909 ( 0.054 -11.941 1.148) 11.996 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.465 -12.858 -18.821) 22.841 1.576 ( -12.807 -9.753 17.501) 23.779 1.812 ( 10.003 -5.411 12.699) 17.047 2.137 ( -6.219 5.249 -12.773) 15.145 2.393 ( 3.894 2.472 -7.030) 8.408 2.707 ( 0.675 5.826 8.747) 10.531 3.230 ( -4.794 -8.111 -1.979) 9.627 3.393 ( 1.284 -4.565 3.359) 5.812 3.712 ( 1.420 2.452 -5.250) 5.966 4.083 ( 2.931 12.430 2.391) 12.992 4.717 ( -3.368 -10.980 1.798) 11.625 5.373 ( -1.490 -4.153 -0.067) 4.413 6.138 ( -2.851 -9.267 -0.083) 9.696 6.733 ( 1.495 -2.303 -0.912) 2.894 6.865 ( -2.230 2.477 0.730) 3.412 7.371 ( -8.955 5.197 -0.671) 10.375 7.545 ( 14.870 1.456 2.060) 15.082 7.877 ( 0.830 11.209 -3.162) 11.676 12.482 ( 0.466 -5.567 9.060) 10.644 12.804 ( -2.148 5.562 -9.962) 11.610 13.805 ( 8.497 7.727 -10.595) 15.626 14.017 ( 1.031 12.538 8.697) 15.294 15.337 ( -2.025 -5.339 0.862) 5.775 15.757 ( -4.606 -12.145 0.736) 13.010 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.000 0.000 14.659) 14.659 1.706 ( -0.000 0.000 14.659) 14.659 1.992 ( 0.000 -0.000 -12.996) 12.996 1.992 ( 0.000 -0.000 -12.996) 12.996 2.281 ( -0.000 0.000 16.916) 16.916 2.735 ( 0.000 -0.000 -14.357) 14.357 3.478 ( -0.000 0.000 8.790) 8.790 3.478 ( -0.000 0.000 8.790) 8.790 3.653 ( 0.000 -0.000 -5.960) 5.960 3.653 ( 0.000 -0.000 -5.960) 5.960 5.142 ( 0.000 -0.000 -0.193) 0.193 5.526 ( 0.000 -0.000 -0.996) 0.996 6.553 ( 0.000 -0.000 -0.806) 0.806 6.553 ( 0.000 -0.000 -0.806) 0.806 6.879 ( -0.000 0.000 3.643) 3.643 7.302 ( 0.000 -0.000 -0.230) 0.230 7.302 ( 0.000 -0.000 -0.230) 0.230 7.480 ( 0.000 -0.000 -1.993) 1.993 12.638 ( -0.000 0.000 7.875) 7.875 12.638 ( -0.000 0.000 7.875) 7.875 13.546 ( 0.000 -0.000 -6.356) 6.356 13.546 ( 0.000 -0.000 -6.356) 6.356 15.546 ( 0.000 -0.000 -0.220) 0.220 16.166 ( -0.000 0.000 0.275) 0.275 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -8.940 -2.345 17.794) 20.051 1.775 ( -1.637 -5.011 -11.045) 12.238 1.934 ( 6.229 -1.862 9.915) 11.857 1.967 ( -2.061 5.288 -15.696) 16.690 2.375 ( 0.331 1.393 8.793) 8.909 2.612 ( -2.303 -2.341 -7.813) 8.476 3.465 ( -1.993 -6.480 6.582) 9.449 3.533 ( -5.327 5.012 -5.464) 9.130 3.635 ( 2.222 0.339 4.274) 4.829 3.697 ( 8.151 2.936 -3.750) 9.440 5.055 ( -6.989 -4.136 -0.017) 8.121 5.495 ( -2.329 -1.332 -0.286) 2.699 6.458 ( -7.331 -4.304 -1.149) 8.579 6.623 ( 5.365 3.815 0.397) 6.595 6.874 ( -1.202 -0.932 0.516) 1.606 7.311 ( 1.610 -1.838 0.203) 2.452 7.365 ( 3.558 4.505 0.409) 5.755 7.544 ( 6.499 3.760 -0.488) 7.525 12.650 ( -3.546 -1.230 -7.711) 8.576 12.673 ( 2.270 0.405 11.947) 12.167 13.547 ( 3.327 2.041 5.841) 7.025 13.638 ( 8.759 4.997 -8.847) 13.414 15.507 ( -3.246 -1.877 -0.169) 3.754 16.099 ( -5.942 -3.413 0.049) 6.852 =================== 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 3/31944 10.0 83.273 83.273 145.322 0.000 -0.000 0.000 3/31944 20.0 46.618 46.618 73.140 0.000 -0.000 0.000 3/31944 30.0 27.995 27.995 42.360 0.000 -0.000 0.000 3/31944 40.0 19.115 19.115 28.346 0.000 -0.000 0.000 3/31944 50.0 14.207 14.207 20.798 0.000 -0.000 0.000 3/31944 60.0 11.168 11.168 16.202 0.000 -0.000 0.000 3/31944 70.0 9.137 9.137 13.166 0.000 -0.000 0.000 3/31944 80.0 7.704 7.704 11.044 0.000 -0.000 0.000 3/31944 90.0 6.651 6.651 9.493 0.000 -0.000 0.000 3/31944 100.0 5.851 5.851 8.321 0.000 -0.000 0.000 3/31944 110.0 5.224 5.224 7.408 0.000 -0.000 0.000 3/31944 120.0 4.721 4.721 6.679 0.000 -0.000 0.000 3/31944 130.0 4.310 4.310 6.084 0.000 -0.000 0.000 3/31944 140.0 3.968 3.968 5.591 0.000 -0.000 0.000 3/31944 150.0 3.678 3.678 5.175 0.000 -0.000 0.000 3/31944 160.0 3.430 3.430 4.820 0.000 -0.000 0.000 3/31944 170.0 3.214 3.214 4.512 0.000 -0.000 0.000 3/31944 180.0 3.026 3.026 4.243 0.000 -0.000 0.000 3/31944 190.0 2.859 2.859 4.005 0.000 -0.000 0.000 3/31944 200.0 2.710 2.710 3.794 0.000 -0.000 0.000 3/31944 210.0 2.577 2.577 3.605 0.000 -0.000 0.000 3/31944 220.0 2.457 2.457 3.435 0.000 -0.000 0.000 3/31944 230.0 2.347 2.347 3.280 0.000 -0.000 0.000 3/31944 240.0 2.248 2.248 3.139 0.000 -0.000 0.000 3/31944 250.0 2.156 2.156 3.010 0.000 -0.000 0.000 3/31944 260.0 2.072 2.072 2.892 0.000 -0.000 0.000 3/31944 270.0 1.995 1.995 2.783 0.000 -0.000 0.000 3/31944 280.0 1.923 1.923 2.682 0.000 -0.000 0.000 3/31944 290.0 1.856 1.856 2.588 0.000 -0.000 0.000 3/31944 300.0 1.794 1.794 2.500 0.000 -0.000 0.000 3/31944 310.0 1.736 1.736 2.419 0.000 -0.000 0.000 3/31944 320.0 1.682 1.682 2.342 0.000 -0.000 0.000 3/31944 330.0 1.631 1.631 2.271 0.000 -0.000 0.000 3/31944 340.0 1.582 1.582 2.203 0.000 -0.000 0.000 3/31944 350.0 1.537 1.537 2.140 0.000 -0.000 0.000 3/31944 360.0 1.495 1.495 2.080 0.000 -0.000 0.000 3/31944 370.0 1.454 1.454 2.024 0.000 -0.000 0.000 3/31944 380.0 1.416 1.416 1.970 0.000 -0.000 0.000 3/31944 390.0 1.380 1.380 1.919 0.000 -0.000 0.000 3/31944 400.0 1.345 1.345 1.871 0.000 -0.000 0.000 3/31944 410.0 1.312 1.312 1.825 0.000 -0.000 0.000 3/31944 420.0 1.281 1.281 1.782 0.000 -0.000 0.000 3/31944 430.0 1.251 1.251 1.740 0.000 -0.000 0.000 3/31944 440.0 1.223 1.223 1.701 0.000 -0.000 0.000 3/31944 450.0 1.196 1.196 1.663 0.000 -0.000 0.000 3/31944 460.0 1.170 1.170 1.627 0.000 -0.000 0.000 3/31944 470.0 1.145 1.145 1.592 0.000 -0.000 0.000 3/31944 480.0 1.121 1.121 1.559 0.000 -0.000 0.000 3/31944 490.0 1.099 1.099 1.527 0.000 -0.000 0.000 3/31944 500.0 1.077 1.077 1.496 0.000 -0.000 0.000 3/31944 510.0 1.056 1.056 1.467 0.000 -0.000 0.000 3/31944 520.0 1.035 1.035 1.439 0.000 -0.000 0.000 3/31944 530.0 1.016 1.016 1.412 0.000 -0.000 0.000 3/31944 540.0 0.997 0.997 1.385 0.000 -0.000 0.000 3/31944 550.0 0.979 0.979 1.360 0.000 -0.000 0.000 3/31944 560.0 0.962 0.962 1.336 0.000 -0.000 0.000 3/31944 570.0 0.945 0.945 1.312 0.000 -0.000 0.000 3/31944 580.0 0.928 0.928 1.290 0.000 -0.000 0.000 3/31944 590.0 0.913 0.913 1.268 0.000 -0.000 0.000 3/31944 600.0 0.898 0.898 1.247 0.000 -0.000 0.000 3/31944 610.0 0.883 0.883 1.226 0.000 -0.000 0.000 3/31944 620.0 0.869 0.869 1.207 0.000 -0.000 0.000 3/31944 630.0 0.855 0.855 1.187 0.000 -0.000 0.000 3/31944 640.0 0.842 0.842 1.169 0.000 -0.000 0.000 3/31944 650.0 0.829 0.829 1.151 0.000 -0.000 0.000 3/31944 660.0 0.816 0.816 1.133 0.000 -0.000 0.000 3/31944 670.0 0.804 0.804 1.117 0.000 -0.000 0.000 3/31944 680.0 0.792 0.792 1.100 0.000 -0.000 0.000 3/31944 690.0 0.781 0.781 1.084 0.000 -0.000 0.000 3/31944 700.0 0.770 0.770 1.069 0.000 -0.000 0.000 3/31944 710.0 0.759 0.759 1.054 0.000 -0.000 0.000 3/31944 720.0 0.748 0.748 1.039 0.000 -0.000 0.000 3/31944 730.0 0.738 0.738 1.025 0.000 -0.000 0.000 3/31944 740.0 0.728 0.728 1.011 0.000 -0.000 0.000 3/31944 750.0 0.718 0.718 0.997 0.000 -0.000 0.000 3/31944 760.0 0.709 0.709 0.984 0.000 -0.000 0.000 3/31944 770.0 0.700 0.700 0.972 0.000 -0.000 0.000 3/31944 780.0 0.691 0.691 0.959 0.000 -0.000 0.000 3/31944 790.0 0.682 0.682 0.947 0.000 -0.000 0.000 3/31944 800.0 0.674 0.674 0.935 0.000 -0.000 0.000 3/31944 810.0 0.665 0.665 0.924 0.000 -0.000 0.000 3/31944 820.0 0.657 0.657 0.912 0.000 -0.000 0.000 3/31944 830.0 0.649 0.649 0.901 0.000 -0.000 0.000 3/31944 840.0 0.642 0.642 0.891 0.000 -0.000 0.000 3/31944 850.0 0.634 0.634 0.880 0.000 -0.000 0.000 3/31944 860.0 0.627 0.627 0.870 0.000 -0.000 0.000 3/31944 870.0 0.619 0.619 0.860 0.000 -0.000 0.000 3/31944 880.0 0.612 0.612 0.850 0.000 -0.000 0.000 3/31944 890.0 0.606 0.606 0.841 0.000 -0.000 0.000 3/31944 900.0 0.599 0.599 0.831 0.000 -0.000 0.000 3/31944 910.0 0.592 0.592 0.822 0.000 -0.000 0.000 3/31944 920.0 0.586 0.586 0.813 0.000 -0.000 0.000 3/31944 930.0 0.580 0.580 0.804 0.000 -0.000 0.000 3/31944 940.0 0.573 0.573 0.796 0.000 -0.000 0.000 3/31944 950.0 0.567 0.567 0.788 0.000 -0.000 0.000 3/31944 960.0 0.561 0.561 0.779 0.000 -0.000 0.000 3/31944 970.0 0.556 0.556 0.771 0.000 -0.000 0.000 3/31944 980.0 0.550 0.550 0.763 0.000 -0.000 0.000 3/31944 990.0 0.545 0.545 0.756 0.000 -0.000 0.000 3/31944 1000.0 0.539 0.539 0.748 0.000 -0.000 0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:31:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|