----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:21:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.317252298304464 0.000000000000000 0.000000000000000 b -3.158626149152232 5.470900972447295 0.000000000000000 c 0.000000000000000 0.000000000000000 4.977589050000000 Atomic positions (fractional): *1 F 0.84794733087385 0.15205266912615 0.22165569588757 18.998 2 F 0.30410533825230 0.15205266912615 0.22165569588757 18.998 3 F 0.84794733087385 0.69589466174770 0.22165569588757 18.998 4 F 0.15205266912615 0.84794733087385 0.77834430411242 18.998 5 F 0.69589466174770 0.84794733087385 0.77834430411242 18.998 6 F 0.15205266912615 0.30410533825230 0.77834430411242 18.998 *7 Cs 0.33333333333333 0.66666666666667 0.30478332329597 132.905 8 Cs 0.66666666666667 0.33333333333333 0.69521667670403 132.905 *9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.317252298304464 0.000000000000000 0.000000000000000 b -3.158626149152232 5.470900972447295 0.000000000000000 c 0.000000000000000 0.000000000000000 4.977589050000000 Atomic positions (fractional): *1 F 0.84794733087385 0.15205266912615 0.22165569588757 18.998 > 1 2 F 0.30410533825230 0.15205266912615 0.22165569588757 18.998 > 2 3 F 0.84794733087385 0.69589466174770 0.22165569588757 18.998 > 3 4 F 0.15205266912615 0.84794733087385 0.77834430411242 18.998 > 4 5 F 0.69589466174770 0.84794733087385 0.77834430411242 18.998 > 5 6 F 0.15205266912615 0.30410533825230 0.77834430411242 18.998 > 6 *7 Cs 0.33333333333333 0.66666666666667 0.30478332329597 132.905 > 7 8 Cs 0.66666666666667 0.33333333333333 0.69521667670403 132.905 > 8 *9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.634504596608927 0.000000000000000 0.000000000000000 b -6.317252298304464 10.941801944894589 0.000000000000000 c 0.000000000000000 0.000000000000000 14.932767150000000 Atomic positions (fractional): *1 F 0.42397366543693 0.07602633456307 0.07388523196252 18.998 > 1 2 F 0.92397366543693 0.07602633456307 0.07388523196252 18.998 > 1 3 F 0.42397366543693 0.57602633456307 0.07388523196252 18.998 > 1 4 F 0.92397366543693 0.57602633456307 0.07388523196252 18.998 > 1 5 F 0.42397366543693 0.07602633456307 0.40721856529586 18.998 > 1 6 F 0.92397366543693 0.07602633456307 0.40721856529586 18.998 > 1 7 F 0.42397366543693 0.57602633456307 0.40721856529586 18.998 > 1 8 F 0.92397366543693 0.57602633456307 0.40721856529586 18.998 > 1 9 F 0.42397366543693 0.07602633456307 0.74055189862919 18.998 > 1 10 F 0.92397366543693 0.07602633456307 0.74055189862919 18.998 > 1 11 F 0.42397366543693 0.57602633456307 0.74055189862919 18.998 > 1 12 F 0.92397366543693 0.57602633456307 0.74055189862919 18.998 > 1 13 F 0.15205266912615 0.07602633456307 0.07388523196252 18.998 > 2 14 F 0.65205266912615 0.07602633456307 0.07388523196252 18.998 > 2 15 F 0.15205266912615 0.57602633456307 0.07388523196252 18.998 > 2 16 F 0.65205266912615 0.57602633456307 0.07388523196252 18.998 > 2 17 F 0.15205266912615 0.07602633456307 0.40721856529586 18.998 > 2 18 F 0.65205266912615 0.07602633456307 0.40721856529586 18.998 > 2 19 F 0.15205266912615 0.57602633456307 0.40721856529586 18.998 > 2 20 F 0.65205266912615 0.57602633456307 0.40721856529586 18.998 > 2 21 F 0.15205266912615 0.07602633456307 0.74055189862919 18.998 > 2 22 F 0.65205266912615 0.07602633456307 0.74055189862919 18.998 > 2 23 F 0.15205266912615 0.57602633456307 0.74055189862919 18.998 > 2 24 F 0.65205266912615 0.57602633456307 0.74055189862919 18.998 > 2 25 F 0.42397366543693 0.34794733087385 0.07388523196252 18.998 > 3 26 F 0.92397366543693 0.34794733087385 0.07388523196252 18.998 > 3 27 F 0.42397366543693 0.84794733087385 0.07388523196252 18.998 > 3 28 F 0.92397366543693 0.84794733087385 0.07388523196252 18.998 > 3 29 F 0.42397366543693 0.34794733087385 0.40721856529586 18.998 > 3 30 F 0.92397366543693 0.34794733087385 0.40721856529586 18.998 > 3 31 F 0.42397366543693 0.84794733087385 0.40721856529586 18.998 > 3 32 F 0.92397366543693 0.84794733087385 0.40721856529586 18.998 > 3 33 F 0.42397366543693 0.34794733087385 0.74055189862919 18.998 > 3 34 F 0.92397366543693 0.34794733087385 0.74055189862919 18.998 > 3 35 F 0.42397366543693 0.84794733087385 0.74055189862919 18.998 > 3 36 F 0.92397366543693 0.84794733087385 0.74055189862919 18.998 > 3 37 F 0.07602633456307 0.42397366543693 0.25944810137081 18.998 > 4 38 F 0.57602633456307 0.42397366543693 0.25944810137081 18.998 > 4 39 F 0.07602633456307 0.92397366543693 0.25944810137081 18.998 > 4 40 F 0.57602633456307 0.92397366543693 0.25944810137081 18.998 > 4 41 F 0.07602633456307 0.42397366543693 0.59278143470414 18.998 > 4 42 F 0.57602633456307 0.42397366543693 0.59278143470414 18.998 > 4 43 F 0.07602633456307 0.92397366543693 0.59278143470414 18.998 > 4 44 F 0.57602633456307 0.92397366543693 0.59278143470414 18.998 > 4 45 F 0.07602633456307 0.42397366543693 0.92611476803747 18.998 > 4 46 F 0.57602633456307 0.42397366543693 0.92611476803747 18.998 > 4 47 F 0.07602633456307 0.92397366543693 0.92611476803747 18.998 > 4 48 F 0.57602633456307 0.92397366543693 0.92611476803747 18.998 > 4 49 F 0.34794733087385 0.42397366543693 0.25944810137081 18.998 > 5 50 F 0.84794733087385 0.42397366543693 0.25944810137081 18.998 > 5 51 F 0.34794733087385 0.92397366543693 0.25944810137081 18.998 > 5 52 F 0.84794733087385 0.92397366543693 0.25944810137081 18.998 > 5 53 F 0.34794733087385 0.42397366543693 0.59278143470414 18.998 > 5 54 F 0.84794733087385 0.42397366543693 0.59278143470414 18.998 > 5 55 F 0.34794733087385 0.92397366543693 0.59278143470414 18.998 > 5 56 F 0.84794733087385 0.92397366543693 0.59278143470414 18.998 > 5 57 F 0.34794733087385 0.42397366543693 0.92611476803747 18.998 > 5 58 F 0.84794733087385 0.42397366543693 0.92611476803747 18.998 > 5 59 F 0.34794733087385 0.92397366543693 0.92611476803747 18.998 > 5 60 F 0.84794733087385 0.92397366543693 0.92611476803747 18.998 > 5 61 F 0.07602633456307 0.15205266912615 0.25944810137081 18.998 > 6 62 F 0.57602633456307 0.15205266912615 0.25944810137081 18.998 > 6 63 F 0.07602633456307 0.65205266912615 0.25944810137081 18.998 > 6 64 F 0.57602633456307 0.65205266912615 0.25944810137081 18.998 > 6 65 F 0.07602633456307 0.15205266912615 0.59278143470414 18.998 > 6 66 F 0.57602633456307 0.15205266912615 0.59278143470414 18.998 > 6 67 F 0.07602633456307 0.65205266912615 0.59278143470414 18.998 > 6 68 F 0.57602633456307 0.65205266912615 0.59278143470414 18.998 > 6 69 F 0.07602633456307 0.15205266912615 0.92611476803747 18.998 > 6 70 F 0.57602633456307 0.15205266912615 0.92611476803747 18.998 > 6 71 F 0.07602633456307 0.65205266912615 0.92611476803747 18.998 > 6 72 F 0.57602633456307 0.65205266912615 0.92611476803747 18.998 > 6 *73 Cs 0.16666666666667 0.33333333333333 0.10159444109866 132.905 > 7 74 Cs 0.66666666666667 0.33333333333333 0.10159444109866 132.905 > 7 75 Cs 0.16666666666667 0.83333333333333 0.10159444109866 132.905 > 7 76 Cs 0.66666666666667 0.83333333333333 0.10159444109866 132.905 > 7 77 Cs 0.16666666666667 0.33333333333333 0.43492777443199 132.905 > 7 78 Cs 0.66666666666667 0.33333333333333 0.43492777443199 132.905 > 7 79 Cs 0.16666666666667 0.83333333333333 0.43492777443199 132.905 > 7 80 Cs 0.66666666666667 0.83333333333333 0.43492777443199 132.905 > 7 81 Cs 0.16666666666667 0.33333333333333 0.76826110776532 132.905 > 7 82 Cs 0.66666666666667 0.33333333333333 0.76826110776532 132.905 > 7 83 Cs 0.16666666666667 0.83333333333333 0.76826110776532 132.905 > 7 84 Cs 0.66666666666667 0.83333333333333 0.76826110776532 132.905 > 7 85 Cs 0.33333333333333 0.16666666666667 0.23173889223468 132.905 > 8 86 Cs 0.83333333333333 0.16666666666667 0.23173889223468 132.905 > 8 87 Cs 0.33333333333333 0.66666666666667 0.23173889223468 132.905 > 8 88 Cs 0.83333333333333 0.66666666666667 0.23173889223468 132.905 > 8 89 Cs 0.33333333333333 0.16666666666667 0.56507222556801 132.905 > 8 90 Cs 0.83333333333333 0.16666666666667 0.56507222556801 132.905 > 8 91 Cs 0.33333333333333 0.66666666666667 0.56507222556801 132.905 > 8 92 Cs 0.83333333333333 0.66666666666667 0.56507222556801 132.905 > 8 93 Cs 0.33333333333333 0.16666666666667 0.89840555890134 132.905 > 8 94 Cs 0.83333333333333 0.16666666666667 0.89840555890134 132.905 > 8 95 Cs 0.33333333333333 0.66666666666667 0.89840555890134 132.905 > 8 96 Cs 0.83333333333333 0.66666666666667 0.89840555890134 132.905 > 8 *97 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 9 98 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 9 99 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 9 100 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 9 101 Hf 0.00000000000000 0.00000000000000 0.33333333333333 178.490 > 9 102 Hf 0.50000000000000 0.00000000000000 0.33333333333333 178.490 > 9 103 Hf 0.00000000000000 0.50000000000000 0.33333333333333 178.490 > 9 104 Hf 0.50000000000000 0.50000000000000 0.33333333333333 178.490 > 9 105 Hf 0.00000000000000 0.00000000000000 0.66666666666667 178.490 > 9 106 Hf 0.50000000000000 0.00000000000000 0.66666666666667 178.490 > 9 107 Hf 0.00000000000000 0.50000000000000 0.66666666666667 178.490 > 9 108 Hf 0.50000000000000 0.50000000000000 0.66666666666667 178.490 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3708067 0.0000000 0.0000000 0.0000000 2.3708067 0.0000000 0.0000000 0.0000000 2.2917701 -------------------------- Born effective charges -------------------------- 1 F -1.3614471 0.2629758 0.4469685 0.2629758 -1.0577887 -0.2580574 0.4440828 -0.2563913 -1.1320554 2 F -1.3614471 -0.2629758 -0.4469685 -0.2629758 -1.0577887 -0.2580574 -0.4440828 -0.2563913 -1.1320554 3 F -0.9059595 -0.0000000 0.0000000 0.0000000 -1.5132762 0.5161148 0.0000000 0.5127826 -1.1320554 4 F -1.3614471 0.2629758 0.4469685 0.2629758 -1.0577887 -0.2580574 0.4440828 -0.2563913 -1.1320554 5 F -1.3614471 -0.2629758 -0.4469685 -0.2629758 -1.0577887 -0.2580574 -0.4440828 -0.2563913 -1.1320554 6 F -0.9059595 -0.0000000 0.0000000 0.0000000 -1.5132762 0.5161148 0.0000000 0.5127826 -1.1320554 7 Cs 1.4013547 0.0000000 -0.0000000 0.0000000 1.4013547 0.0000000 0.0000000 0.0000000 1.3599958 8 Cs 1.4013547 0.0000000 -0.0000000 0.0000000 1.4013547 0.0000000 0.0000000 0.0000000 1.3599958 9 Hf 4.4549978 0.0000000 -0.0000000 0.0000000 4.4549978 0.0000000 0.0000000 0.0000000 4.0723410 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 268 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 160 - Time: 0.318 Solver_block: 160 / 160 - Time: 0.222 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.553 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 268 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), 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 00:21:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:21:56]------------------------- 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 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.317252298304464 0.000000000000000 0.000000000000000 b -3.158626149152232 5.470900972447295 0.000000000000000 c 0.000000000000000 0.000000000000000 4.977589050000000 Atomic positions (fractional): 1 F 0.84794733087385 0.15205266912615 0.22165569588757 18.998 2 F 0.30410533825230 0.15205266912615 0.22165569588757 18.998 3 F 0.84794733087385 0.69589466174770 0.22165569588757 18.998 4 F 0.15205266912615 0.84794733087385 0.77834430411242 18.998 5 F 0.69589466174770 0.84794733087385 0.77834430411242 18.998 6 F 0.15205266912615 0.30410533825230 0.77834430411242 18.998 7 Cs 0.33333333333333 0.66666666666667 0.30478332329597 132.905 8 Cs 0.66666666666667 0.33333333333333 0.69521667670403 132.905 9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.634504596608927 0.000000000000000 0.000000000000000 b -6.317252298304464 10.941801944894589 0.000000000000000 c 0.000000000000000 0.000000000000000 14.932767150000000 Atomic positions (fractional): 1 F 0.42397366543693 0.07602633456307 0.07388523196252 18.998 > 1 2 F 0.92397366543693 0.07602633456307 0.07388523196252 18.998 > 1 3 F 0.42397366543693 0.57602633456307 0.07388523196252 18.998 > 1 4 F 0.92397366543693 0.57602633456307 0.07388523196252 18.998 > 1 5 F 0.42397366543693 0.07602633456307 0.40721856529586 18.998 > 1 6 F 0.92397366543693 0.07602633456307 0.40721856529586 18.998 > 1 7 F 0.42397366543693 0.57602633456307 0.40721856529586 18.998 > 1 8 F 0.92397366543693 0.57602633456307 0.40721856529586 18.998 > 1 9 F 0.42397366543693 0.07602633456307 0.74055189862919 18.998 > 1 10 F 0.92397366543693 0.07602633456307 0.74055189862919 18.998 > 1 11 F 0.42397366543693 0.57602633456307 0.74055189862919 18.998 > 1 12 F 0.92397366543693 0.57602633456307 0.74055189862919 18.998 > 1 13 F 0.15205266912615 0.07602633456307 0.07388523196252 18.998 > 13 14 F 0.65205266912615 0.07602633456307 0.07388523196252 18.998 > 13 15 F 0.15205266912615 0.57602633456307 0.07388523196252 18.998 > 13 16 F 0.65205266912615 0.57602633456307 0.07388523196252 18.998 > 13 17 F 0.15205266912615 0.07602633456307 0.40721856529586 18.998 > 13 18 F 0.65205266912615 0.07602633456307 0.40721856529586 18.998 > 13 19 F 0.15205266912615 0.57602633456307 0.40721856529586 18.998 > 13 20 F 0.65205266912615 0.57602633456307 0.40721856529586 18.998 > 13 21 F 0.15205266912615 0.07602633456307 0.74055189862919 18.998 > 13 22 F 0.65205266912615 0.07602633456307 0.74055189862919 18.998 > 13 23 F 0.15205266912615 0.57602633456307 0.74055189862919 18.998 > 13 24 F 0.65205266912615 0.57602633456307 0.74055189862919 18.998 > 13 25 F 0.42397366543693 0.34794733087385 0.07388523196252 18.998 > 25 26 F 0.92397366543693 0.34794733087385 0.07388523196252 18.998 > 25 27 F 0.42397366543693 0.84794733087385 0.07388523196252 18.998 > 25 28 F 0.92397366543693 0.84794733087385 0.07388523196252 18.998 > 25 29 F 0.42397366543693 0.34794733087385 0.40721856529586 18.998 > 25 30 F 0.92397366543693 0.34794733087385 0.40721856529586 18.998 > 25 31 F 0.42397366543693 0.84794733087385 0.40721856529586 18.998 > 25 32 F 0.92397366543693 0.84794733087385 0.40721856529586 18.998 > 25 33 F 0.42397366543693 0.34794733087385 0.74055189862919 18.998 > 25 34 F 0.92397366543693 0.34794733087385 0.74055189862919 18.998 > 25 35 F 0.42397366543693 0.84794733087385 0.74055189862919 18.998 > 25 36 F 0.92397366543693 0.84794733087385 0.74055189862919 18.998 > 25 37 F 0.07602633456307 0.42397366543693 0.25944810137081 18.998 > 37 38 F 0.57602633456307 0.42397366543693 0.25944810137081 18.998 > 37 39 F 0.07602633456307 0.92397366543693 0.25944810137081 18.998 > 37 40 F 0.57602633456307 0.92397366543693 0.25944810137081 18.998 > 37 41 F 0.07602633456307 0.42397366543693 0.59278143470414 18.998 > 37 42 F 0.57602633456307 0.42397366543693 0.59278143470414 18.998 > 37 43 F 0.07602633456307 0.92397366543693 0.59278143470414 18.998 > 37 44 F 0.57602633456307 0.92397366543693 0.59278143470414 18.998 > 37 45 F 0.07602633456307 0.42397366543693 0.92611476803747 18.998 > 37 46 F 0.57602633456307 0.42397366543693 0.92611476803747 18.998 > 37 47 F 0.07602633456307 0.92397366543693 0.92611476803747 18.998 > 37 48 F 0.57602633456307 0.92397366543693 0.92611476803747 18.998 > 37 49 F 0.34794733087385 0.42397366543693 0.25944810137081 18.998 > 49 50 F 0.84794733087385 0.42397366543693 0.25944810137081 18.998 > 49 51 F 0.34794733087385 0.92397366543693 0.25944810137081 18.998 > 49 52 F 0.84794733087385 0.92397366543693 0.25944810137081 18.998 > 49 53 F 0.34794733087385 0.42397366543693 0.59278143470414 18.998 > 49 54 F 0.84794733087385 0.42397366543693 0.59278143470414 18.998 > 49 55 F 0.34794733087385 0.92397366543693 0.59278143470414 18.998 > 49 56 F 0.84794733087385 0.92397366543693 0.59278143470414 18.998 > 49 57 F 0.34794733087385 0.42397366543693 0.92611476803747 18.998 > 49 58 F 0.84794733087385 0.42397366543693 0.92611476803747 18.998 > 49 59 F 0.34794733087385 0.92397366543693 0.92611476803747 18.998 > 49 60 F 0.84794733087385 0.92397366543693 0.92611476803747 18.998 > 49 61 F 0.07602633456307 0.15205266912615 0.25944810137081 18.998 > 61 62 F 0.57602633456307 0.15205266912615 0.25944810137081 18.998 > 61 63 F 0.07602633456307 0.65205266912615 0.25944810137081 18.998 > 61 64 F 0.57602633456307 0.65205266912615 0.25944810137081 18.998 > 61 65 F 0.07602633456307 0.15205266912615 0.59278143470414 18.998 > 61 66 F 0.57602633456307 0.15205266912615 0.59278143470414 18.998 > 61 67 F 0.07602633456307 0.65205266912615 0.59278143470414 18.998 > 61 68 F 0.57602633456307 0.65205266912615 0.59278143470414 18.998 > 61 69 F 0.07602633456307 0.15205266912615 0.92611476803747 18.998 > 61 70 F 0.57602633456307 0.15205266912615 0.92611476803747 18.998 > 61 71 F 0.07602633456307 0.65205266912615 0.92611476803747 18.998 > 61 72 F 0.57602633456307 0.65205266912615 0.92611476803747 18.998 > 61 73 Cs 0.16666666666667 0.33333333333333 0.10159444109866 132.905 > 73 74 Cs 0.66666666666667 0.33333333333333 0.10159444109866 132.905 > 73 75 Cs 0.16666666666667 0.83333333333333 0.10159444109866 132.905 > 73 76 Cs 0.66666666666667 0.83333333333333 0.10159444109866 132.905 > 73 77 Cs 0.16666666666667 0.33333333333333 0.43492777443199 132.905 > 73 78 Cs 0.66666666666667 0.33333333333333 0.43492777443199 132.905 > 73 79 Cs 0.16666666666667 0.83333333333333 0.43492777443199 132.905 > 73 80 Cs 0.66666666666667 0.83333333333333 0.43492777443199 132.905 > 73 81 Cs 0.16666666666667 0.33333333333333 0.76826110776532 132.905 > 73 82 Cs 0.66666666666667 0.33333333333333 0.76826110776532 132.905 > 73 83 Cs 0.16666666666667 0.83333333333333 0.76826110776532 132.905 > 73 84 Cs 0.66666666666667 0.83333333333333 0.76826110776532 132.905 > 73 85 Cs 0.33333333333333 0.16666666666667 0.23173889223468 132.905 > 85 86 Cs 0.83333333333333 0.16666666666667 0.23173889223468 132.905 > 85 87 Cs 0.33333333333333 0.66666666666667 0.23173889223468 132.905 > 85 88 Cs 0.83333333333333 0.66666666666667 0.23173889223468 132.905 > 85 89 Cs 0.33333333333333 0.16666666666667 0.56507222556801 132.905 > 85 90 Cs 0.83333333333333 0.16666666666667 0.56507222556801 132.905 > 85 91 Cs 0.33333333333333 0.66666666666667 0.56507222556801 132.905 > 85 92 Cs 0.83333333333333 0.66666666666667 0.56507222556801 132.905 > 85 93 Cs 0.33333333333333 0.16666666666667 0.89840555890134 132.905 > 85 94 Cs 0.83333333333333 0.16666666666667 0.89840555890134 132.905 > 85 95 Cs 0.33333333333333 0.66666666666667 0.89840555890134 132.905 > 85 96 Cs 0.83333333333333 0.66666666666667 0.89840555890134 132.905 > 85 97 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 97 98 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 97 99 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 97 100 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 97 101 Hf 0.00000000000000 0.00000000000000 0.33333333333333 178.490 > 97 102 Hf 0.50000000000000 0.00000000000000 0.33333333333333 178.490 > 97 103 Hf 0.00000000000000 0.50000000000000 0.33333333333333 178.490 > 97 104 Hf 0.50000000000000 0.50000000000000 0.33333333333333 178.490 > 97 105 Hf 0.00000000000000 0.00000000000000 0.66666666666667 178.490 > 97 106 Hf 0.50000000000000 0.00000000000000 0.66666666666667 178.490 > 97 107 Hf 0.00000000000000 0.50000000000000 0.66666666666667 178.490 > 97 108 Hf 0.50000000000000 0.50000000000000 0.66666666666667 178.490 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3708067 0.0000000 0.0000000 0.0000000 2.3708067 0.0000000 0.0000000 0.0000000 2.2917701 -------------------------- Born effective charges -------------------------- 1 F -1.3614471 0.2629758 0.4469685 0.2629758 -1.0577887 -0.2580574 0.4440828 -0.2563913 -1.1320554 2 F -1.3614471 -0.2629758 -0.4469685 -0.2629758 -1.0577887 -0.2580574 -0.4440828 -0.2563913 -1.1320554 3 F -0.9059595 -0.0000000 0.0000000 0.0000000 -1.5132762 0.5161148 0.0000000 0.5127826 -1.1320554 4 F -1.3614471 0.2629758 0.4469685 0.2629758 -1.0577887 -0.2580574 0.4440828 -0.2563913 -1.1320554 5 F -1.3614471 -0.2629758 -0.4469685 -0.2629758 -1.0577887 -0.2580574 -0.4440828 -0.2563913 -1.1320554 6 F -0.9059595 -0.0000000 0.0000000 0.0000000 -1.5132762 0.5161148 0.0000000 0.5127826 -1.1320554 7 Cs 1.4013547 0.0000000 -0.0000000 0.0000000 1.4013547 0.0000000 0.0000000 0.0000000 1.3599958 8 Cs 1.4013547 0.0000000 -0.0000000 0.0000000 1.4013547 0.0000000 0.0000000 0.0000000 1.3599958 9 Hf 4.4549978 0.0000000 -0.0000000 0.0000000 4.4549978 0.0000000 0.0000000 0.0000000 4.0723410 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, 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: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 00:22:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:22:03]------------------------- 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 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.317252298304464 0.000000000000000 0.000000000000000 b -3.158626149152232 5.470900972447295 0.000000000000000 c 0.000000000000000 0.000000000000000 4.977589050000000 Atomic positions (fractional): 1 F 0.84794733087385 0.15205266912615 0.22165569588757 18.998 2 F 0.30410533825230 0.15205266912615 0.22165569588757 18.998 3 F 0.84794733087385 0.69589466174770 0.22165569588757 18.998 4 F 0.15205266912615 0.84794733087385 0.77834430411242 18.998 5 F 0.69589466174770 0.84794733087385 0.77834430411242 18.998 6 F 0.15205266912615 0.30410533825230 0.77834430411242 18.998 7 Cs 0.33333333333333 0.66666666666667 0.30478332329597 132.905 8 Cs 0.66666666666667 0.33333333333333 0.69521667670403 132.905 9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.634504596608927 0.000000000000000 0.000000000000000 b -6.317252298304464 10.941801944894589 0.000000000000000 c 0.000000000000000 0.000000000000000 14.932767150000000 Atomic positions (fractional): 1 F 0.42397366543693 0.07602633456307 0.07388523196252 18.998 > 1 2 F 0.92397366543693 0.07602633456307 0.07388523196252 18.998 > 1 3 F 0.42397366543693 0.57602633456307 0.07388523196252 18.998 > 1 4 F 0.92397366543693 0.57602633456307 0.07388523196252 18.998 > 1 5 F 0.42397366543693 0.07602633456307 0.40721856529586 18.998 > 1 6 F 0.92397366543693 0.07602633456307 0.40721856529586 18.998 > 1 7 F 0.42397366543693 0.57602633456307 0.40721856529586 18.998 > 1 8 F 0.92397366543693 0.57602633456307 0.40721856529586 18.998 > 1 9 F 0.42397366543693 0.07602633456307 0.74055189862919 18.998 > 1 10 F 0.92397366543693 0.07602633456307 0.74055189862919 18.998 > 1 11 F 0.42397366543693 0.57602633456307 0.74055189862919 18.998 > 1 12 F 0.92397366543693 0.57602633456307 0.74055189862919 18.998 > 1 13 F 0.15205266912615 0.07602633456307 0.07388523196252 18.998 > 13 14 F 0.65205266912615 0.07602633456307 0.07388523196252 18.998 > 13 15 F 0.15205266912615 0.57602633456307 0.07388523196252 18.998 > 13 16 F 0.65205266912615 0.57602633456307 0.07388523196252 18.998 > 13 17 F 0.15205266912615 0.07602633456307 0.40721856529586 18.998 > 13 18 F 0.65205266912615 0.07602633456307 0.40721856529586 18.998 > 13 19 F 0.15205266912615 0.57602633456307 0.40721856529586 18.998 > 13 20 F 0.65205266912615 0.57602633456307 0.40721856529586 18.998 > 13 21 F 0.15205266912615 0.07602633456307 0.74055189862919 18.998 > 13 22 F 0.65205266912615 0.07602633456307 0.74055189862919 18.998 > 13 23 F 0.15205266912615 0.57602633456307 0.74055189862919 18.998 > 13 24 F 0.65205266912615 0.57602633456307 0.74055189862919 18.998 > 13 25 F 0.42397366543693 0.34794733087385 0.07388523196252 18.998 > 25 26 F 0.92397366543693 0.34794733087385 0.07388523196252 18.998 > 25 27 F 0.42397366543693 0.84794733087385 0.07388523196252 18.998 > 25 28 F 0.92397366543693 0.84794733087385 0.07388523196252 18.998 > 25 29 F 0.42397366543693 0.34794733087385 0.40721856529586 18.998 > 25 30 F 0.92397366543693 0.34794733087385 0.40721856529586 18.998 > 25 31 F 0.42397366543693 0.84794733087385 0.40721856529586 18.998 > 25 32 F 0.92397366543693 0.84794733087385 0.40721856529586 18.998 > 25 33 F 0.42397366543693 0.34794733087385 0.74055189862919 18.998 > 25 34 F 0.92397366543693 0.34794733087385 0.74055189862919 18.998 > 25 35 F 0.42397366543693 0.84794733087385 0.74055189862919 18.998 > 25 36 F 0.92397366543693 0.84794733087385 0.74055189862919 18.998 > 25 37 F 0.07602633456307 0.42397366543693 0.25944810137081 18.998 > 37 38 F 0.57602633456307 0.42397366543693 0.25944810137081 18.998 > 37 39 F 0.07602633456307 0.92397366543693 0.25944810137081 18.998 > 37 40 F 0.57602633456307 0.92397366543693 0.25944810137081 18.998 > 37 41 F 0.07602633456307 0.42397366543693 0.59278143470414 18.998 > 37 42 F 0.57602633456307 0.42397366543693 0.59278143470414 18.998 > 37 43 F 0.07602633456307 0.92397366543693 0.59278143470414 18.998 > 37 44 F 0.57602633456307 0.92397366543693 0.59278143470414 18.998 > 37 45 F 0.07602633456307 0.42397366543693 0.92611476803747 18.998 > 37 46 F 0.57602633456307 0.42397366543693 0.92611476803747 18.998 > 37 47 F 0.07602633456307 0.92397366543693 0.92611476803747 18.998 > 37 48 F 0.57602633456307 0.92397366543693 0.92611476803747 18.998 > 37 49 F 0.34794733087385 0.42397366543693 0.25944810137081 18.998 > 49 50 F 0.84794733087385 0.42397366543693 0.25944810137081 18.998 > 49 51 F 0.34794733087385 0.92397366543693 0.25944810137081 18.998 > 49 52 F 0.84794733087385 0.92397366543693 0.25944810137081 18.998 > 49 53 F 0.34794733087385 0.42397366543693 0.59278143470414 18.998 > 49 54 F 0.84794733087385 0.42397366543693 0.59278143470414 18.998 > 49 55 F 0.34794733087385 0.92397366543693 0.59278143470414 18.998 > 49 56 F 0.84794733087385 0.92397366543693 0.59278143470414 18.998 > 49 57 F 0.34794733087385 0.42397366543693 0.92611476803747 18.998 > 49 58 F 0.84794733087385 0.42397366543693 0.92611476803747 18.998 > 49 59 F 0.34794733087385 0.92397366543693 0.92611476803747 18.998 > 49 60 F 0.84794733087385 0.92397366543693 0.92611476803747 18.998 > 49 61 F 0.07602633456307 0.15205266912615 0.25944810137081 18.998 > 61 62 F 0.57602633456307 0.15205266912615 0.25944810137081 18.998 > 61 63 F 0.07602633456307 0.65205266912615 0.25944810137081 18.998 > 61 64 F 0.57602633456307 0.65205266912615 0.25944810137081 18.998 > 61 65 F 0.07602633456307 0.15205266912615 0.59278143470414 18.998 > 61 66 F 0.57602633456307 0.15205266912615 0.59278143470414 18.998 > 61 67 F 0.07602633456307 0.65205266912615 0.59278143470414 18.998 > 61 68 F 0.57602633456307 0.65205266912615 0.59278143470414 18.998 > 61 69 F 0.07602633456307 0.15205266912615 0.92611476803747 18.998 > 61 70 F 0.57602633456307 0.15205266912615 0.92611476803747 18.998 > 61 71 F 0.07602633456307 0.65205266912615 0.92611476803747 18.998 > 61 72 F 0.57602633456307 0.65205266912615 0.92611476803747 18.998 > 61 73 Cs 0.16666666666667 0.33333333333333 0.10159444109866 132.905 > 73 74 Cs 0.66666666666667 0.33333333333333 0.10159444109866 132.905 > 73 75 Cs 0.16666666666667 0.83333333333333 0.10159444109866 132.905 > 73 76 Cs 0.66666666666667 0.83333333333333 0.10159444109866 132.905 > 73 77 Cs 0.16666666666667 0.33333333333333 0.43492777443199 132.905 > 73 78 Cs 0.66666666666667 0.33333333333333 0.43492777443199 132.905 > 73 79 Cs 0.16666666666667 0.83333333333333 0.43492777443199 132.905 > 73 80 Cs 0.66666666666667 0.83333333333333 0.43492777443199 132.905 > 73 81 Cs 0.16666666666667 0.33333333333333 0.76826110776532 132.905 > 73 82 Cs 0.66666666666667 0.33333333333333 0.76826110776532 132.905 > 73 83 Cs 0.16666666666667 0.83333333333333 0.76826110776532 132.905 > 73 84 Cs 0.66666666666667 0.83333333333333 0.76826110776532 132.905 > 73 85 Cs 0.33333333333333 0.16666666666667 0.23173889223468 132.905 > 85 86 Cs 0.83333333333333 0.16666666666667 0.23173889223468 132.905 > 85 87 Cs 0.33333333333333 0.66666666666667 0.23173889223468 132.905 > 85 88 Cs 0.83333333333333 0.66666666666667 0.23173889223468 132.905 > 85 89 Cs 0.33333333333333 0.16666666666667 0.56507222556801 132.905 > 85 90 Cs 0.83333333333333 0.16666666666667 0.56507222556801 132.905 > 85 91 Cs 0.33333333333333 0.66666666666667 0.56507222556801 132.905 > 85 92 Cs 0.83333333333333 0.66666666666667 0.56507222556801 132.905 > 85 93 Cs 0.33333333333333 0.16666666666667 0.89840555890134 132.905 > 85 94 Cs 0.83333333333333 0.16666666666667 0.89840555890134 132.905 > 85 95 Cs 0.33333333333333 0.66666666666667 0.89840555890134 132.905 > 85 96 Cs 0.83333333333333 0.66666666666667 0.89840555890134 132.905 > 85 97 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 97 98 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 97 99 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 97 100 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 97 101 Hf 0.00000000000000 0.00000000000000 0.33333333333333 178.490 > 97 102 Hf 0.50000000000000 0.00000000000000 0.33333333333333 178.490 > 97 103 Hf 0.00000000000000 0.50000000000000 0.33333333333333 178.490 > 97 104 Hf 0.50000000000000 0.50000000000000 0.33333333333333 178.490 > 97 105 Hf 0.00000000000000 0.00000000000000 0.66666666666667 178.490 > 97 106 Hf 0.50000000000000 0.00000000000000 0.66666666666667 178.490 > 97 107 Hf 0.00000000000000 0.50000000000000 0.66666666666667 178.490 > 97 108 Hf 0.50000000000000 0.50000000000000 0.66666666666667 178.490 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3708067 0.0000000 0.0000000 0.0000000 2.3708067 0.0000000 0.0000000 0.0000000 2.2917701 -------------------------- Born effective charges -------------------------- 1 F -1.3614471 0.2629758 0.4469685 0.2629758 -1.0577887 -0.2580574 0.4440828 -0.2563913 -1.1320554 2 F -1.3614471 -0.2629758 -0.4469685 -0.2629758 -1.0577887 -0.2580574 -0.4440828 -0.2563913 -1.1320554 3 F -0.9059595 -0.0000000 0.0000000 0.0000000 -1.5132762 0.5161148 0.0000000 0.5127826 -1.1320554 4 F -1.3614471 0.2629758 0.4469685 0.2629758 -1.0577887 -0.2580574 0.4440828 -0.2563913 -1.1320554 5 F -1.3614471 -0.2629758 -0.4469685 -0.2629758 -1.0577887 -0.2580574 -0.4440828 -0.2563913 -1.1320554 6 F -0.9059595 -0.0000000 0.0000000 0.0000000 -1.5132762 0.5161148 0.0000000 0.5127826 -1.1320554 7 Cs 1.4013547 0.0000000 -0.0000000 0.0000000 1.4013547 0.0000000 0.0000000 0.0000000 1.3599958 8 Cs 1.4013547 0.0000000 -0.0000000 0.0000000 1.4013547 0.0000000 0.0000000 0.0000000 1.3599958 9 Hf 4.4549978 0.0000000 -0.0000000 0.0000000 4.4549978 0.0000000 0.0000000 0.0000000 4.0723410 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) 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 ... [ 9 9 10 ] 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: 0.75, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 14.025 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 17.413 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 12.128 7.002 1.653) 14.101 0.303 ( 12.742 7.356 1.875) 14.832 0.596 ( 24.930 14.393 -1.623) 28.832 1.571 ( -0.891 -0.514 0.076) 1.032 1.768 ( -3.118 -1.800 -1.394) 3.860 1.874 ( -3.275 -1.891 -1.112) 3.941 1.911 ( -0.376 -0.217 1.684) 1.739 1.951 ( 2.460 1.420 -0.195) 2.847 2.156 ( -0.061 -0.035 -0.504) 0.509 2.207 ( 2.607 1.505 0.217) 3.018 2.269 ( 3.079 1.778 1.303) 3.787 3.010 ( -2.870 -1.657 -1.130) 3.501 3.995 ( -0.784 -0.453 -0.398) 0.989 4.037 ( 1.473 0.850 0.643) 1.818 4.514 ( 2.846 1.643 -0.017) 3.287 4.836 ( -1.356 -0.783 0.082) 1.568 5.876 ( 0.873 0.504 -0.299) 1.052 6.886 ( -1.492 -0.861 7.005) 7.214 6.906 ( -1.295 -0.748 0.307) 1.527 7.036 ( 4.266 2.463 -6.490) 8.147 7.248 ( -0.470 -0.272 0.027) 0.544 13.950 ( -5.450 -3.147 -0.249) 6.298 14.171 ( -0.503 -0.290 -1.131) 1.271 14.376 ( 0.407 0.235 1.102) 1.198 14.434 ( 4.632 2.674 0.909) 5.425 15.969 ( -1.329 -0.767 -0.716) 1.693 17.412 ( -0.077 -0.045 0.004) 0.089 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 11.781 6.802 2.001) 13.750 0.593 ( 11.959 6.905 1.603) 13.902 1.158 ( 22.698 13.105 -1.212) 26.238 1.537 ( -2.077 -1.199 0.474) 2.445 1.668 ( -5.110 -2.950 -1.772) 6.160 1.765 ( -5.760 -3.326 -1.952) 6.932 1.883 ( -1.926 -1.112 2.041) 3.018 2.018 ( 2.791 1.611 -0.610) 3.280 2.190 ( 2.904 1.676 0.536) 3.395 2.301 ( 5.030 2.904 -0.246) 5.813 2.335 ( 2.401 1.386 0.925) 2.922 2.908 ( -5.817 -3.358 -1.467) 6.875 3.969 ( -1.378 -0.795 -0.566) 1.688 4.083 ( 2.288 1.321 1.014) 2.831 4.604 ( 4.469 2.580 -0.078) 5.161 4.794 ( -2.116 -1.222 0.073) 2.444 5.905 ( 1.617 0.934 -0.461) 1.923 6.863 ( -0.560 -0.323 5.714) 5.750 6.863 ( -2.272 -1.312 0.492) 2.669 7.145 ( 4.692 2.709 -5.195) 7.506 7.234 ( -0.673 -0.388 0.317) 0.839 13.806 ( -6.316 -3.647 -0.328) 7.301 14.162 ( -0.144 -0.083 -1.640) 1.648 14.382 ( -0.021 -0.012 1.595) 1.595 14.558 ( 5.532 3.194 1.707) 6.612 15.923 ( -2.486 -1.435 -1.477) 3.228 17.410 ( -0.137 -0.079 0.025) 0.160 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 10.627 6.135 2.279) 12.481 0.858 ( 10.451 6.034 1.112) 12.119 1.470 ( -3.180 -1.836 1.715) 4.053 1.536 ( -5.153 -2.975 -0.625) 5.983 1.613 ( -6.954 -4.015 -2.326) 8.360 1.653 ( 17.595 10.159 -1.432) 20.368 1.838 ( -0.902 -0.521 -0.002) 1.042 2.071 ( 1.764 1.018 -0.685) 2.149 2.275 ( 3.822 2.207 1.132) 4.557 2.378 ( 1.202 0.694 0.209) 1.403 2.421 ( 4.709 2.719 -0.385) 5.451 2.737 ( -8.698 -5.022 -0.869) 10.081 3.935 ( -1.379 -0.796 -0.468) 1.660 4.135 ( 2.011 1.161 0.946) 2.508 4.707 ( 4.008 2.314 -0.109) 4.629 4.745 ( -1.905 -1.100 -0.008) 2.200 5.947 ( 1.811 1.045 -0.415) 2.132 6.806 ( -2.393 -1.382 0.464) 2.802 6.856 ( -0.077 -0.044 3.593) 3.594 7.211 ( -0.333 -0.192 -1.541) 1.589 7.253 ( 3.384 1.954 -1.314) 4.123 13.671 ( -4.829 -2.788 -0.284) 5.583 14.167 ( 0.502 0.290 -1.561) 1.666 14.374 ( -0.665 -0.384 1.521) 1.704 14.682 ( 4.788 2.764 1.989) 5.875 15.858 ( -2.815 -1.625 -1.804) 3.718 17.407 ( -0.139 -0.080 0.041) 0.166 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 6.306 3.641 1.604) 7.456 1.067 ( 6.409 3.700 0.363) 7.410 1.380 ( -4.057 -2.342 1.170) 4.828 1.434 ( -2.255 -1.302 -0.684) 2.692 1.460 ( -5.055 -2.919 -1.626) 6.059 1.783 ( -0.524 -0.303 0.309) 0.679 2.064 ( 12.627 7.290 -1.148) 14.625 2.100 ( 0.622 0.359 -0.284) 0.772 2.349 ( 2.119 1.223 1.024) 2.652 2.390 ( -0.118 -0.068 -0.500) 0.518 2.491 ( -2.330 -1.345 -0.686) 2.777 2.525 ( -5.044 -2.912 0.501) 5.846 3.911 ( -0.591 -0.341 -0.180) 0.706 4.170 ( 0.784 0.453 0.396) 0.988 4.712 ( -0.763 -0.441 -0.028) 0.882 4.776 ( 1.598 0.923 -0.052) 1.847 5.981 ( 0.859 0.496 -0.170) 1.006 6.763 ( -1.090 -0.629 0.195) 1.273 6.856 ( 0.023 0.013 1.216) 1.216 7.201 ( -0.270 -0.156 -0.260) 0.406 7.313 ( 1.405 0.811 -0.664) 1.753 13.591 ( -1.805 -1.042 -0.113) 2.087 14.180 ( 0.430 0.248 -0.726) 0.880 14.357 ( -0.499 -0.288 0.710) 0.915 14.766 ( 2.031 1.173 0.965) 2.536 15.806 ( -1.349 -0.779 -0.895) 1.796 17.404 ( -0.059 -0.034 0.022) 0.072 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 6.535 11.319 0.000) 13.070 0.548 ( 7.703 13.341 0.000) 15.405 1.007 ( 13.330 23.088 0.000) 26.660 1.548 ( -1.047 -1.813 0.000) 2.093 1.690 ( -3.128 -5.418 0.000) 6.256 1.831 ( -2.071 -3.587 0.000) 4.142 1.872 ( -1.120 -1.940 0.000) 2.240 2.015 ( 2.418 4.188 0.000) 4.836 2.169 ( 0.057 0.099 0.000) 0.115 2.259 ( 3.021 5.232 0.000) 6.041 2.320 ( 1.367 2.367 0.000) 2.733 2.945 ( -2.762 -4.784 0.000) 5.525 3.982 ( -0.501 -0.867 0.000) 1.001 4.065 ( 1.049 1.817 0.000) 2.099 4.578 ( 2.541 4.402 0.000) 5.083 4.807 ( -1.162 -2.012 0.000) 2.323 5.899 ( 1.047 1.813 0.000) 2.094 6.778 ( -2.684 -4.648 0.000) 5.367 7.019 ( 2.385 4.130 0.000) 4.769 7.057 ( 1.137 1.969 0.000) 2.273 7.238 ( -0.400 -0.693 0.000) 0.800 13.845 ( -3.696 -6.402 0.000) 7.392 14.160 ( -0.334 -0.579 0.000) 0.669 14.377 ( 0.039 0.067 0.000) 0.078 14.537 ( 3.720 6.444 0.000) 7.440 15.932 ( -1.601 -2.773 0.000) 3.202 17.411 ( -0.073 -0.126 0.000) 0.145 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 9.082 8.403 0.844) 12.402 0.816 ( 7.508 12.582 1.220) 14.702 1.471 ( 14.775 16.221 -0.050) 21.941 1.496 ( -1.676 -2.581 0.221) 3.086 1.564 ( -4.016 -6.345 -0.805) 7.552 1.726 ( -6.005 -1.501 -2.169) 6.558 1.834 ( -0.632 -2.980 1.246) 3.291 2.090 ( 0.143 5.056 -0.601) 5.093 2.208 ( 4.503 0.221 0.739) 4.569 2.354 ( 1.651 0.643 0.249) 1.789 2.379 ( 3.512 3.995 -0.162) 5.322 2.816 ( -5.838 -5.696 -0.617) 8.180 3.961 ( -1.323 0.100 -0.354) 1.374 4.107 ( 1.952 0.922 0.619) 2.246 4.679 ( 3.281 4.530 -0.063) 5.594 4.761 ( -1.597 -1.930 0.016) 2.506 5.946 ( 1.272 3.055 -0.274) 3.321 6.697 ( 0.356 -7.547 0.969) 7.617 7.016 ( -5.648 7.205 3.369) 9.756 7.166 ( 6.419 -0.075 -4.123) 7.629 7.223 ( -0.307 -0.650 0.529) 0.892 13.713 ( -4.226 -5.089 -0.170) 6.617 14.156 ( 0.451 -0.217 -0.824) 0.964 14.373 ( -0.221 -0.800 0.785) 1.142 14.677 ( 3.487 8.060 1.142) 8.856 15.860 ( -2.053 -4.865 -1.014) 5.377 17.408 ( -0.112 -0.135 0.021) 0.177 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 8.814 6.151 0.660) 10.769 1.053 ( 5.047 10.905 1.940) 12.172 1.414 ( -3.216 -3.995 0.712) 5.178 1.440 ( -2.473 -4.586 -0.887) 5.285 1.558 ( -7.955 -1.791 -1.308) 8.258 1.794 ( -0.928 -1.287 0.550) 1.680 1.904 ( 14.431 10.595 -1.512) 17.966 2.129 ( -0.969 4.424 -0.581) 4.566 2.295 ( 4.023 -0.194 1.270) 4.224 2.376 ( 1.277 -0.586 -0.272) 1.431 2.463 ( 2.639 0.890 -0.314) 2.803 2.629 ( -8.462 -5.347 -0.170) 10.011 3.941 ( -1.734 1.472 -0.301) 2.294 4.145 ( 1.852 -0.327 0.566) 1.964 4.719 ( -1.045 -1.330 -0.034) 1.692 4.769 ( 1.894 3.457 -0.060) 3.942 5.998 ( 0.243 4.000 -0.264) 4.016 6.637 ( 2.664 -9.288 0.692) 9.687 6.992 ( -5.114 7.027 1.734) 8.862 7.204 ( -0.300 -0.361 -0.777) 0.908 7.266 ( 4.078 -0.551 -0.969) 4.228 13.609 ( -2.514 -3.145 -0.146) 4.029 14.170 ( 0.858 0.387 -0.827) 1.253 14.354 ( -0.370 -1.574 0.791) 1.800 14.807 ( 0.664 9.342 1.327) 9.459 15.774 ( -0.378 -6.780 -1.220) 6.899 17.405 ( -0.081 -0.098 0.026) 0.130 ======================= Grid point 13 (9/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.054 0.094 -0.000) 0.109 1.136 ( -2.425 4.200 -0.000) 4.850 1.382 ( -1.890 3.273 -0.000) 3.779 1.391 ( 1.024 -1.773 0.000) 2.048 1.425 ( 0.623 -1.080 0.000) 1.247 1.777 ( 0.383 -0.664 -0.000) 0.767 2.144 ( -2.132 3.693 0.000) 4.265 2.152 ( -0.212 0.368 0.000) 0.424 2.309 ( 2.007 -3.477 -0.000) 4.015 2.390 ( -0.069 0.119 -0.000) 0.137 2.467 ( -0.277 0.481 0.000) 0.555 2.506 ( 0.437 -0.757 -0.000) 0.874 3.933 ( -1.386 2.400 -0.000) 2.771 4.160 ( 0.793 -1.374 0.000) 1.587 4.703 ( 0.268 -0.464 0.000) 0.536 4.804 ( -0.973 1.685 -0.000) 1.945 6.023 ( -2.044 3.540 0.000) 4.088 6.611 ( 5.216 -9.034 -0.000) 10.431 6.983 ( -4.185 7.248 -0.000) 8.370 7.199 ( 0.037 -0.064 -0.000) 0.074 7.300 ( 1.161 -2.011 0.000) 2.322 13.569 ( 0.595 -1.030 -0.000) 1.190 14.183 ( -0.143 0.247 0.000) 0.285 14.340 ( 0.812 -1.407 0.000) 1.624 14.866 ( -4.659 8.069 -0.000) 9.317 15.732 ( 3.609 -6.251 0.000) 7.218 17.403 ( 0.018 -0.032 0.000) 0.037 ======================= Grid point 21 (10/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 5.339 9.247 0.000) 10.677 1.070 ( 6.812 11.799 0.000) 13.624 1.423 ( -2.340 -4.054 0.000) 4.681 1.435 ( -3.503 -6.067 0.000) 7.005 1.662 ( -2.553 -4.421 0.000) 5.105 1.741 ( 1.212 2.100 0.000) 2.424 1.847 ( 6.488 11.237 0.000) 12.976 2.198 ( 2.282 3.952 0.000) 4.563 2.224 ( 1.503 2.604 0.000) 3.006 2.353 ( -0.240 -0.416 0.000) 0.481 2.444 ( 1.063 1.842 0.000) 2.127 2.679 ( -4.392 -7.606 0.000) 8.783 3.973 ( 0.553 0.958 0.000) 1.106 4.119 ( 0.176 0.304 0.000) 0.351 4.722 ( -1.018 -1.764 0.000) 2.037 4.771 ( 2.403 4.161 0.000) 4.805 6.024 ( 2.568 4.449 0.000) 5.137 6.555 ( -3.694 -6.399 0.000) 7.389 7.117 ( 0.734 1.271 0.000) 1.468 7.179 ( 1.600 2.772 0.000) 3.200 7.210 ( -0.324 -0.561 0.000) 0.648 13.615 ( -2.429 -4.207 0.000) 4.858 14.164 ( 0.619 1.072 0.000) 1.238 14.347 ( -1.004 -1.740 0.000) 2.009 14.864 ( 5.681 9.840 0.000) 11.362 15.731 ( -4.311 -7.468 0.000) 8.623 17.405 ( -0.075 -0.130 0.000) 0.151 ======================= Grid point 22 (11/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 5.300 5.694 -0.030) 7.779 1.231 ( -2.378 3.704 1.296) 4.589 1.357 ( 0.086 -4.182 0.009) 4.183 1.363 ( 2.693 1.803 -0.769) 3.331 1.538 ( -8.244 0.646 -0.298) 8.274 1.732 ( 1.907 -4.394 -0.001) 4.790 2.108 ( 7.409 8.552 -0.424) 11.323 2.235 ( -1.500 5.009 -0.992) 5.322 2.274 ( -0.735 -0.848 1.708) 2.044 2.368 ( 3.138 -0.150 -0.391) 3.166 2.446 ( -0.275 -2.648 -0.205) 2.670 2.527 ( -4.242 -4.559 0.125) 6.229 3.992 ( -1.140 3.313 -0.102) 3.505 4.121 ( 1.124 -2.063 0.146) 2.354 4.695 ( -0.295 -0.919 -0.009) 0.965 4.833 ( 0.457 2.538 -0.012) 2.579 6.108 ( -0.468 6.748 -0.089) 6.764 6.448 ( 1.328 -9.246 0.155) 9.342 7.113 ( -3.240 4.812 0.642) 5.837 7.199 ( -0.192 -0.150 -0.456) 0.517 7.239 ( 3.080 -1.908 -0.182) 3.627 13.554 ( -0.682 -2.055 -0.023) 2.165 14.194 ( 0.443 1.977 -0.182) 2.034 14.309 ( -0.227 -2.788 0.174) 2.803 15.042 ( -0.530 13.258 0.392) 13.275 15.587 ( 0.484 -11.459 -0.373) 11.475 17.403 ( -0.024 -0.067 0.005) 0.071 ======================= Grid point 31 (12/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.000 -0.000 0.000) 0.000 1.271 ( -1.729 -2.994 0.000) 3.458 1.271 ( 1.729 2.994 0.000) 3.458 1.408 ( -0.000 -0.000 0.000) 0.000 1.619 ( -3.129 -5.419 0.000) 6.257 1.619 ( 3.129 5.419 0.000) 6.257 2.226 ( -1.446 -2.505 0.000) 2.892 2.226 ( 1.446 2.505 0.000) 2.892 2.360 ( -2.200 -3.810 0.000) 4.400 2.360 ( 2.200 3.810 0.000) 4.400 2.370 ( 0.000 0.000 0.000) 0.000 2.469 ( -0.000 -0.000 0.000) 0.000 4.063 ( -1.699 -2.942 0.000) 3.398 4.063 ( 1.699 2.942 0.000) 3.398 4.685 ( -0.000 -0.000 0.000) 0.000 4.861 ( -0.000 -0.000 0.000) 0.000 6.266 ( -4.279 -7.412 0.000) 8.558 6.266 ( 4.279 7.412 0.000) 8.558 7.190 ( -1.440 -2.495 0.000) 2.881 7.190 ( 1.440 2.495 0.000) 2.881 7.198 ( -0.000 -0.000 0.000) 0.000 13.532 ( -0.000 -0.000 0.000) 0.000 14.247 ( -1.539 -2.666 0.000) 3.078 14.247 ( 1.539 2.666 0.000) 3.078 15.324 ( -6.952 -12.042 0.000) 13.904 15.324 ( 6.952 12.042 0.000) 13.904 17.402 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 91 (13/100) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 0.000 0.000 14.798) 14.798 0.298 ( 0.000 -0.000 14.798) 14.798 0.487 ( 0.000 0.000 23.775) 23.775 1.591 ( 0.000 0.000 1.011) 1.011 1.893 ( 0.000 0.000 -1.762) 1.762 1.893 ( -0.000 -0.000 -1.762) 1.762 1.957 ( 0.000 0.000 3.544) 3.544 2.145 ( 0.000 -0.000 -2.668) 2.668 2.145 ( 0.000 0.000 -2.668) 2.668 2.214 ( 0.000 0.000 -0.123) 0.123 2.214 ( 0.000 0.000 -0.123) 0.123 2.467 ( 0.000 0.000 -1.266) 1.266 3.945 ( 0.000 -0.000 -5.814) 5.814 3.945 ( 0.000 0.000 -5.814) 5.814 4.466 ( 0.000 0.000 -1.312) 1.312 5.874 ( 0.000 0.000 0.805) 0.805 5.874 ( -0.000 -0.000 0.805) 0.805 6.128 ( 0.000 0.000 2.080) 2.080 6.941 ( 0.000 0.000 1.875) 1.875 6.941 ( 0.000 -0.000 1.875) 1.875 7.231 ( 0.000 -0.000 -2.295) 2.295 14.152 ( 0.000 -0.000 -2.374) 2.374 14.152 ( 0.000 0.000 -2.374) 2.374 14.390 ( -0.000 -0.000 1.708) 1.708 14.390 ( 0.000 0.000 1.708) 1.708 15.719 ( 0.000 0.000 -3.674) 3.674 17.417 ( 0.000 0.000 0.343) 0.343 ======================= Grid point 92 (14/100) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 9.674 5.585 6.527) 12.938 0.436 ( 8.978 5.183 11.403) 15.411 0.772 ( 17.676 10.205 15.119) 25.400 1.557 ( -1.858 -1.073 0.346) 2.173 1.838 ( -3.762 -2.172 -2.501) 5.012 1.874 ( -5.167 -2.983 2.758) 6.573 1.977 ( 1.525 0.880 2.639) 3.173 1.981 ( -3.107 -1.794 6.345) 7.289 2.131 ( 1.114 0.643 -1.520) 1.992 2.193 ( 2.566 1.482 -1.223) 3.206 2.282 ( 2.978 1.719 -0.033) 3.438 2.724 ( 6.072 3.506 -16.016) 17.483 3.928 ( -1.086 -0.627 -6.208) 6.333 3.975 ( 1.986 1.146 -5.923) 6.351 4.500 ( 2.796 1.614 -1.344) 3.497 5.240 ( -17.269 -9.970 23.543) 30.853 5.878 ( 0.673 0.389 0.574) 0.966 6.709 ( 15.096 8.716 -16.303) 23.867 6.932 ( -1.074 -0.620 2.119) 2.455 6.977 ( 2.003 1.157 2.338) 3.289 7.226 ( -0.264 -0.152 -2.141) 2.162 14.093 ( -7.911 -4.567 8.727) 12.633 14.130 ( -0.897 -0.518 -2.655) 2.850 14.384 ( 5.301 3.060 -4.445) 7.564 14.410 ( 0.780 0.450 1.963) 2.160 15.795 ( 1.871 1.080 -10.516) 10.736 17.415 ( -0.153 -0.088 0.250) 0.306 ======================= Grid point 93 (15/100) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 11.989 6.922 2.479) 14.063 0.673 ( 10.703 6.180 8.171) 14.816 1.216 ( 19.248 11.113 6.405) 23.130 1.518 ( -1.575 -0.909 -0.469) 1.878 1.722 ( -5.917 -3.416 -2.208) 7.180 1.722 ( -6.490 -3.747 3.750) 8.379 1.951 ( -2.039 -1.177 4.743) 5.295 2.017 ( 1.671 0.965 0.270) 1.948 2.198 ( 4.154 2.398 0.690) 4.846 2.275 ( 4.524 2.612 -1.931) 5.569 2.343 ( 2.138 1.234 -0.114) 2.471 2.746 ( -2.615 -1.510 -12.155) 12.524 3.897 ( -1.489 -0.860 -6.512) 6.735 4.029 ( 2.487 1.436 -5.983) 6.637 4.588 ( 4.374 2.525 -1.462) 5.258 5.000 ( -6.026 -3.479 16.950) 18.323 5.905 ( 1.555 0.898 0.436) 1.848 6.893 ( -2.169 -1.252 2.306) 3.404 6.900 ( 2.778 1.604 -4.250) 5.325 7.039 ( 3.975 2.295 -2.110) 5.052 7.227 ( 0.478 0.276 -0.868) 1.028 13.897 ( -7.846 -4.530 8.125) 12.169 14.115 ( -0.250 -0.144 -2.728) 2.743 14.421 ( 0.080 0.046 2.019) 2.022 14.542 ( 7.005 4.044 -3.241) 8.714 15.782 ( -2.205 -1.273 -10.823) 11.119 17.411 ( -0.207 -0.119 0.044) 0.243 ======================= Grid point 94 (16/100) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 10.680 6.166 2.816) 12.650 0.919 ( 9.845 5.684 6.255) 12.975 1.467 ( -1.896 -1.095 -0.835) 2.343 1.552 ( -4.722 -2.726 1.314) 5.608 1.572 ( -6.577 -3.797 -1.836) 7.813 1.677 ( 15.363 8.870 2.806) 17.960 1.881 ( -3.284 -1.896 4.251) 5.697 2.053 ( 1.406 0.812 -1.125) 1.976 2.301 ( 4.072 2.351 1.506) 4.937 2.380 ( 1.017 0.587 0.119) 1.181 2.389 ( 4.626 2.671 -2.474) 5.887 2.638 ( -6.290 -3.632 -7.832) 10.681 3.863 ( -1.301 -0.751 -6.642) 6.809 4.082 ( 1.839 1.062 -6.085) 6.445 4.690 ( 3.958 2.285 -1.609) 4.845 4.899 ( -3.058 -1.766 13.855) 14.298 5.947 ( 1.906 1.100 0.432) 2.243 6.836 ( -2.465 -1.423 2.372) 3.705 6.910 ( -0.847 -0.489 1.463) 1.760 7.125 ( 2.353 1.359 -5.677) 6.294 7.261 ( 2.539 1.466 1.142) 3.147 13.740 ( -5.356 -3.092 6.612) 9.053 14.120 ( 0.629 0.363 -2.770) 2.864 14.413 ( -0.778 -0.449 2.067) 2.253 14.688 ( 5.040 2.910 -1.559) 6.025 15.720 ( -2.571 -1.485 -11.027) 11.420 17.406 ( -0.207 -0.119 -0.142) 0.278 ======================= Grid point 95 (17/100) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 3.551 2.050 3.502) 5.392 1.117 ( 6.976 4.027 4.143) 9.058 1.393 ( -6.687 -3.861 0.019) 7.721 1.425 ( -1.181 -0.682 -0.263) 1.389 1.448 ( -2.356 -1.360 0.496) 2.765 1.824 ( -1.297 -0.749 3.536) 3.840 2.040 ( 13.025 7.520 -1.363) 15.102 2.080 ( 0.807 0.466 -1.575) 1.830 2.357 ( 0.210 0.121 -0.653) 0.697 2.403 ( 1.201 0.693 2.292) 2.679 2.448 ( -4.704 -2.716 -3.407) 6.412 2.485 ( -1.190 -0.687 -3.355) 3.626 3.842 ( -0.347 -0.200 -6.554) 6.566 4.109 ( 0.312 0.180 -6.357) 6.367 4.758 ( 1.644 0.949 -1.673) 2.530 4.851 ( -0.987 -0.570 12.941) 12.991 5.985 ( 1.093 0.631 0.567) 1.384 6.789 ( -1.348 -0.778 2.261) 2.745 6.879 ( -1.703 -0.984 0.966) 2.191 7.154 ( 0.648 0.374 -4.310) 4.375 7.323 ( 2.114 1.221 1.540) 2.887 13.654 ( -1.798 -1.038 6.080) 6.425 14.141 ( 1.048 0.605 -2.715) 2.972 14.389 ( -1.092 -0.630 2.034) 2.393 14.760 ( 0.767 0.443 -1.676) 1.896 15.685 ( -0.081 -0.047 -10.517) 10.518 17.402 ( -0.109 -0.063 -0.261) 0.290 ======================= Grid point 96 (18/100) ======================= q-point: (-0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -7.262 -4.193 0.561) 8.404 1.095 ( -8.568 -4.947 2.331) 10.164 1.359 ( 3.284 1.896 -0.411) 3.814 1.449 ( 3.791 2.189 0.668) 4.428 1.513 ( 6.206 3.583 3.594) 8.017 1.813 ( -0.024 -0.014 3.201) 3.201 2.089 ( -0.106 -0.061 -1.399) 1.404 2.091 ( -10.131 -5.849 1.591) 11.806 2.329 ( -2.311 -1.334 -1.097) 2.885 2.413 ( -0.661 -0.382 1.982) 2.124 2.447 ( 7.923 4.575 -6.409) 11.170 2.482 ( -0.845 -0.488 -1.650) 1.917 3.849 ( 0.924 0.533 -6.225) 6.316 4.096 ( -1.299 -0.750 -6.700) 6.866 4.760 ( -1.501 -0.867 -1.605) 2.363 4.852 ( 1.079 0.623 13.051) 13.110 5.991 ( -0.589 -0.340 0.823) 1.067 6.781 ( 0.776 0.448 1.973) 2.167 6.833 ( -2.222 -1.283 -1.138) 2.807 7.168 ( 0.593 0.342 -3.414) 3.482 7.345 ( -0.343 -0.198 2.242) 2.277 13.659 ( 2.147 1.239 6.266) 6.739 14.162 ( 0.609 0.351 -2.251) 2.358 14.369 ( -0.515 -0.298 1.597) 1.705 14.725 ( -3.414 -1.971 -3.029) 4.972 15.716 ( 2.484 1.434 -9.318) 9.749 17.401 ( 0.068 0.039 -0.261) 0.273 ======================= Grid point 97 (19/100) ======================= q-point: (-0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -9.674 -5.585 1.687) 11.297 0.852 ( -11.313 -6.531 0.374) 13.068 1.431 ( 2.616 1.510 -0.973) 3.173 1.576 ( 5.109 2.950 2.633) 6.460 1.669 ( 6.501 3.754 3.215) 8.166 1.718 ( -12.013 -6.935 4.454) 14.568 1.875 ( -1.860 -1.074 3.409) 4.030 2.075 ( -1.025 -0.592 -0.605) 1.329 2.255 ( -3.779 -2.182 -0.750) 4.427 2.376 ( -2.307 -1.332 0.286) 2.680 2.402 ( -4.559 -2.632 -2.158) 5.689 2.661 ( 7.798 4.502 -7.602) 11.784 3.881 ( 1.641 0.948 -5.802) 6.103 4.053 ( -2.255 -1.302 -6.924) 7.397 4.693 ( -3.942 -2.276 -1.470) 4.784 4.901 ( 3.044 1.758 14.164) 14.594 5.963 ( -1.664 -0.960 1.062) 2.195 6.777 ( -2.431 -1.404 -4.048) 4.926 6.819 ( 2.225 1.285 1.682) 3.071 7.183 ( 0.722 0.417 -3.038) 3.151 7.307 ( -2.771 -1.600 2.809) 4.258 13.751 ( 5.529 3.192 7.065) 9.522 14.169 ( 0.023 0.014 -1.482) 1.482 14.366 ( 0.151 0.087 0.847) 0.865 14.619 ( -5.289 -3.053 -4.038) 7.321 15.782 ( 2.674 1.544 -8.940) 9.458 17.405 ( 0.216 0.125 -0.130) 0.281 ======================= Grid point 98 (20/100) ======================= q-point: (-0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -11.456 -6.614 1.444) 13.306 0.596 ( -9.818 -5.669 4.542) 12.213 1.266 ( -18.833 -10.874 8.866) 23.485 1.512 ( 1.659 0.958 -0.627) 2.015 1.766 ( 7.416 4.282 3.895) 9.408 1.804 ( 4.841 2.795 1.952) 5.921 1.875 ( 0.510 0.294 2.491) 2.560 2.040 ( -2.058 -1.188 1.208) 2.666 2.170 ( -2.825 -1.631 -1.144) 3.457 2.282 ( -5.183 -2.992 -1.893) 6.277 2.311 ( -3.109 -1.795 -1.241) 3.799 2.791 ( 2.808 1.621 -10.816) 11.291 3.919 ( 1.435 0.829 -5.525) 5.768 3.998 ( -2.207 -1.274 -6.873) 7.330 4.590 ( -4.468 -2.579 -1.365) 5.336 5.002 ( 6.055 3.496 17.419) 18.770 5.922 ( -1.653 -0.954 1.139) 2.223 6.720 ( -2.543 -1.468 -7.694) 8.235 6.875 ( 2.308 1.333 1.570) 3.094 7.192 ( -1.486 -0.858 -1.291) 2.148 7.224 ( -2.898 -1.673 0.637) 3.406 13.908 ( 7.696 4.443 8.477) 12.282 14.168 ( -0.054 -0.031 -1.248) 1.250 14.371 ( 0.214 0.124 0.617) 0.665 14.488 ( -5.694 -3.287 -4.675) 8.067 15.828 ( 0.983 0.567 -9.727) 9.793 17.410 ( 0.236 0.136 0.071) 0.282 ======================= Grid point 99 (21/100) ======================= q-point: (-0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -7.172 -4.141 8.720) 12.026 0.385 ( -7.523 -4.344 9.665) 12.995 0.805 ( -19.300 -11.143 15.361) 27.067 1.556 ( 1.983 1.145 0.194) 2.298 1.871 ( 0.710 0.410 -2.294) 2.436 1.885 ( 1.913 1.105 -0.002) 2.209 1.966 ( 8.659 4.999 10.528) 14.519 1.984 ( -2.217 -1.280 2.999) 3.943 2.145 ( 0.583 0.337 -1.488) 1.634 2.181 ( -2.967 -1.713 -2.289) 4.121 2.235 ( -3.093 -1.785 -1.817) 4.007 2.754 ( -7.492 -4.325 -15.188) 17.478 3.943 ( 0.586 0.338 -5.532) 5.573 3.957 ( -1.230 -0.710 -6.490) 6.643 4.501 ( -2.861 -1.652 -1.324) 3.558 5.243 ( 17.256 9.963 23.875) 31.098 5.890 ( -1.066 -0.615 1.031) 1.605 6.621 ( -8.611 -4.972 -14.332) 17.444 6.920 ( 1.488 0.859 1.659) 2.389 7.053 ( -7.877 -4.548 0.288) 9.100 7.223 ( 0.565 0.326 -2.319) 2.409 14.092 ( 6.770 3.909 7.534) 10.856 14.165 ( -0.280 -0.162 -1.740) 1.770 14.371 ( -3.032 -1.751 -3.242) 4.772 14.376 ( 0.357 0.206 1.098) 1.173 15.810 ( -3.088 -1.783 -10.584) 11.168 17.415 ( 0.156 0.090 0.261) 0.317 ======================= Grid point 101 (22/100) ======================= q-point: ( 0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 7.632 9.399 4.234) 12.826 0.587 ( 9.511 10.163 5.563) 14.990 1.116 ( 9.151 20.336 9.723) 24.327 1.524 ( -0.900 -1.988 -0.620) 2.269 1.757 ( -5.938 -6.682 2.123) 9.188 1.828 ( -4.804 -0.171 0.298) 4.817 1.915 ( 1.842 -4.518 4.518) 6.650 2.040 ( 1.567 4.356 2.161) 5.108 2.148 ( 0.868 -0.525 -1.744) 2.018 2.247 ( 3.138 5.370 -0.985) 6.297 2.310 ( 2.701 1.735 -0.942) 3.345 2.783 ( -2.108 0.149 -12.670) 12.845 3.919 ( -1.352 -0.412 -6.101) 6.263 3.997 ( 2.182 1.208 -6.258) 6.737 4.563 ( 2.393 4.325 -1.426) 5.144 5.044 ( -4.464 -7.542 18.669) 20.624 5.908 ( 0.437 2.173 0.784) 2.351 6.734 ( 4.237 -2.744 -5.176) 7.230 6.945 ( 4.657 0.590 -2.469) 5.304 7.098 ( -4.119 7.470 1.797) 8.718 7.219 ( 0.228 -0.438 -1.775) 1.843 13.953 ( -5.091 -7.968 8.772) 12.898 14.138 ( -1.983 0.630 -1.999) 2.885 14.390 ( 1.610 -1.042 0.877) 2.109 14.490 ( 5.852 6.154 -4.022) 9.396 15.809 ( -2.140 -0.491 -10.314) 10.545 17.412 ( -0.117 -0.219 0.109) 0.271 ======================= Grid point 102 (23/100) ======================= q-point: ( 0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 9.459 6.957 3.764) 12.331 0.869 ( 9.301 11.332 4.104) 15.224 1.465 ( 3.483 3.553 -0.603) 5.012 1.503 ( 4.604 5.153 2.189) 7.249 1.605 ( -1.592 -2.738 2.403) 3.975 1.714 ( -7.809 -0.017 0.622) 7.833 1.886 ( -0.355 -4.138 4.072) 5.817 2.085 ( -1.465 4.793 -0.253) 5.018 2.213 ( 6.334 -0.012 0.170) 6.336 2.354 ( 1.722 0.935 -1.136) 2.265 2.361 ( 3.113 3.915 -0.256) 5.009 2.703 ( -4.720 -3.284 -9.251) 10.893 3.891 ( -1.696 0.351 -6.466) 6.694 4.048 ( 2.477 0.448 -6.169) 6.663 4.660 ( 3.200 4.255 -1.625) 5.567 4.928 ( -2.958 -3.307 14.619) 15.277 5.949 ( 0.966 3.369 0.606) 3.557 6.719 ( 1.919 -8.169 1.006) 8.451 7.048 ( 0.470 4.133 -3.020) 5.140 7.092 ( -0.824 3.881 -0.477) 3.996 7.229 ( 1.467 -0.002 0.390) 1.518 13.790 ( -5.069 -5.643 7.139) 10.417 14.124 ( -0.429 0.885 -2.161) 2.374 14.396 ( 0.695 -1.942 1.234) 2.403 14.662 ( 5.304 7.320 -2.663) 9.423 15.738 ( -3.136 -3.456 -10.165) 11.185 17.407 ( -0.153 -0.236 -0.096) 0.297 ======================= Grid point 103 (24/100) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 8.853 4.926 3.319) 10.661 1.122 ( 5.604 10.950 4.482) 13.092 1.414 ( -3.675 -6.112 -0.444) 7.145 1.429 ( -1.724 -3.086 -0.211) 3.541 1.559 ( -8.965 -0.716 0.848) 9.033 1.825 ( 0.923 -2.841 2.034) 3.614 1.897 ( 11.079 10.651 1.162) 15.412 2.109 ( -1.050 4.334 -1.416) 4.679 2.317 ( 3.879 -0.371 0.681) 3.956 2.378 ( 2.011 -0.448 0.401) 2.099 2.439 ( 1.757 1.262 -1.468) 2.615 2.560 ( -6.788 -3.937 -5.784) 9.749 3.871 ( -1.685 1.602 -6.597) 6.994 4.086 ( 1.766 -0.714 -6.284) 6.566 4.745 ( 1.991 2.807 -1.514) 3.760 4.865 ( -1.528 -1.264 12.815) 12.968 6.002 ( 0.247 4.266 0.624) 4.318 6.664 ( 2.647 -9.825 1.846) 10.342 7.029 ( -5.845 6.262 1.716) 8.736 7.141 ( 1.518 0.506 -4.918) 5.172 7.276 ( 3.439 -0.015 1.629) 3.805 13.673 ( -2.755 -3.284 6.202) 7.539 14.138 ( 0.489 1.426 -2.185) 2.655 14.377 ( 0.056 -2.658 1.317) 2.967 14.802 ( 0.953 8.161 -1.931) 8.441 15.653 ( -0.523 -5.413 -10.173) 11.535 17.402 ( -0.107 -0.199 -0.265) 0.348 ======================= Grid point 104 (25/100) ======================= q-point: ( 0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.534 3.523 1.502) 3.866 1.156 ( -5.088 -2.622 3.065) 6.493 1.373 ( -3.253 2.843 -0.695) 4.376 1.398 ( 0.869 -1.750 0.252) 1.971 1.458 ( 4.212 2.270 3.346) 5.838 1.804 ( 0.581 -1.510 2.573) 3.039 2.123 ( -0.614 3.483 -2.148) 4.138 2.147 ( 1.433 2.035 -0.320) 2.510 2.302 ( -0.522 -4.008 -0.717) 4.105 2.408 ( -0.471 0.228 0.624) 0.815 2.434 ( 0.272 1.732 -2.035) 2.686 2.470 ( 0.451 -1.998 -2.584) 3.297 3.867 ( -1.086 2.528 -6.440) 7.004 4.093 ( 0.367 -1.677 -6.564) 6.785 4.777 ( -0.321 0.698 -0.554) 0.947 4.848 ( -0.121 0.322 11.522) 11.527 6.031 ( -1.860 3.818 0.820) 4.326 6.627 ( 4.613 -9.476 1.434) 10.637 6.991 ( -5.669 6.487 0.672) 8.641 7.161 ( 0.591 0.370 -3.604) 3.671 7.321 ( 1.930 -1.427 1.961) 3.100 13.633 ( 0.771 -1.021 6.032) 6.166 14.161 ( 0.233 1.258 -1.981) 2.358 14.353 ( 0.499 -2.465 1.133) 2.758 14.838 ( -5.727 6.786 -2.708) 9.283 15.634 ( 4.516 -4.919 -9.299) 11.449 17.400 ( 0.033 -0.100 -0.334) 0.350 ======================= Grid point 106 (26/100) ======================= q-point: (-0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -10.276 -3.755 1.405) 11.030 1.047 ( -12.183 1.008 0.887) 12.256 1.396 ( 2.946 1.415 -0.565) 3.316 1.460 ( 7.015 -0.472 1.028) 7.106 1.618 ( 5.765 5.646 4.382) 9.182 1.808 ( 0.604 -0.732 1.963) 2.180 1.950 ( -13.179 -6.993 2.922) 15.203 2.126 ( -2.716 3.525 -1.157) 4.598 2.273 ( -1.639 -3.527 -0.825) 3.976 2.389 ( -1.257 -2.016 1.012) 2.582 2.446 ( -1.962 -1.360 -1.883) 3.040 2.562 ( 7.997 4.326 -6.101) 10.949 3.882 ( -0.081 2.262 -6.084) 6.491 4.068 ( -1.021 -1.732 -6.814) 7.105 4.747 ( -3.327 -0.369 -1.428) 3.639 4.867 ( 1.902 0.656 12.966) 13.121 6.012 ( -3.464 1.875 1.041) 4.074 6.636 ( 5.678 -6.878 0.465) 8.931 6.964 ( -5.138 7.012 -1.085) 8.760 7.175 ( 0.613 0.420 -2.971) 3.063 7.309 ( -0.514 -3.242 2.757) 4.286 13.678 ( 4.509 0.625 6.441) 7.888 14.164 ( -0.320 -0.302 -1.406) 1.474 14.352 ( 1.158 -0.794 0.548) 1.507 14.755 ( -9.069 3.995 -3.662) 10.565 15.696 ( 6.262 -2.921 -8.615) 11.044 17.402 ( 0.203 0.009 -0.264) 0.333 ======================= Grid point 107 (27/100) ======================= q-point: (-0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -11.351 -2.049 2.766) 11.861 0.817 ( -14.600 1.581 1.460) 14.758 1.453 ( -0.643 0.572 -0.612) 1.056 1.538 ( -11.092 -4.595 4.325) 12.761 1.617 ( 5.527 -1.177 2.908) 6.355 1.802 ( 3.398 5.591 4.552) 7.970 1.828 ( 2.122 -3.505 1.061) 4.233 2.107 ( -3.680 3.513 0.410) 5.105 2.183 ( -2.665 -4.517 -1.121) 5.363 2.347 ( -1.775 -0.755 -0.642) 2.033 2.364 ( -5.655 -0.947 -0.997) 5.820 2.721 ( 6.221 0.999 -8.855) 10.868 3.905 ( 0.771 0.714 -5.871) 5.965 4.029 ( -1.926 -0.463 -6.751) 7.035 4.662 ( -5.277 -0.822 -1.552) 5.561 4.929 ( 4.347 0.815 14.822) 15.468 5.959 ( -3.243 0.064 1.030) 3.403 6.678 ( 4.208 -2.287 -1.205) 4.938 6.952 ( -4.181 6.631 -2.530) 8.237 7.187 ( 0.281 -0.847 -2.271) 2.440 7.243 ( -2.220 -3.958 2.761) 5.312 13.796 ( 7.574 1.036 7.398) 10.638 14.151 ( 0.075 -1.547 -1.318) 2.034 14.370 ( 0.732 0.702 0.403) 1.091 14.623 ( -9.172 2.333 -3.902) 10.237 15.771 ( 4.612 -1.878 -9.127) 10.397 17.407 ( 0.288 0.054 -0.086) 0.305 ======================= Grid point 112 (28/100) ======================= q-point: ( 0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 5.875 8.458 2.512) 10.600 1.097 ( 9.366 10.577 2.323) 14.318 1.415 ( -1.384 -3.406 -0.473) 3.707 1.441 ( -4.919 -5.924 0.428) 7.712 1.695 ( -4.118 -3.046 3.046) 5.959 1.753 ( 0.076 1.108 1.202) 1.637 1.876 ( 5.423 10.071 2.679) 11.748 2.186 ( -1.425 4.175 -2.078) 4.876 2.225 ( 5.796 1.607 1.060) 6.107 2.354 ( -0.401 0.110 -0.127) 0.435 2.433 ( 1.000 1.945 -0.566) 2.259 2.605 ( -3.742 -6.158 -6.572) 9.752 3.908 ( 0.036 1.138 -6.329) 6.431 4.051 ( 0.800 -0.093 -6.553) 6.603 4.743 ( 1.914 3.470 -1.396) 4.201 4.874 ( -1.119 -1.839 12.740) 12.921 6.034 ( 2.262 4.734 0.953) 5.332 6.568 ( -2.687 -6.674 1.108) 7.280 7.084 ( 5.456 0.951 -2.969) 6.283 7.168 ( -2.536 1.777 -1.320) 3.366 7.239 ( -0.586 1.489 2.784) 3.211 13.683 ( -2.827 -4.538 6.390) 8.332 14.151 ( 0.020 1.733 -1.250) 2.137 14.352 ( -0.422 -2.354 0.301) 2.411 14.828 ( 6.970 8.763 -3.461) 11.720 15.638 ( -5.298 -6.141 -8.708) 11.900 17.402 ( -0.113 -0.237 -0.284) 0.387 ======================= Grid point 113 (29/100) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 5.611 5.555 2.469) 8.272 1.267 ( -5.183 -0.709 1.498) 5.442 1.354 ( 2.739 -2.608 0.322) 3.795 1.381 ( 3.610 4.785 2.199) 6.385 1.548 ( -9.340 0.307 1.107) 9.410 1.745 ( 2.236 -5.007 1.302) 5.636 2.097 ( 5.984 8.400 -0.693) 10.337 2.210 ( -1.186 4.597 -1.528) 4.987 2.295 ( -0.987 -0.947 0.379) 1.419 2.372 ( 4.305 -0.135 0.188) 4.311 2.429 ( -1.218 -1.838 -0.815) 2.351 2.480 ( -3.464 -4.007 -3.685) 6.453 3.924 ( -1.135 3.390 -6.557) 7.468 4.055 ( 1.111 -2.317 -6.536) 7.023 4.783 ( 0.304 0.647 2.290) 2.399 4.859 ( -0.202 0.652 8.254) 8.282 6.118 ( -0.492 7.020 0.992) 7.107 6.466 ( 1.351 -9.571 1.487) 9.779 7.135 ( -4.098 3.935 0.558) 5.708 7.151 ( 1.377 0.769 -3.271) 3.632 7.260 ( 2.466 -1.593 2.067) 3.591 13.616 ( -0.742 -2.146 5.929) 6.349 14.180 ( 0.212 2.694 -1.145) 2.935 14.314 ( 0.002 -3.447 0.253) 3.456 15.007 ( -0.282 11.707 -3.746) 12.295 15.496 ( 0.282 -9.897 -8.170) 12.837 17.399 ( -0.028 -0.149 -0.422) 0.449 ======================= Grid point 114 (30/100) ======================= q-point: (-0.56 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -8.255 -1.929 1.854) 8.678 1.232 ( -1.930 5.052 1.450) 5.599 1.356 ( 3.332 -2.341 -0.020) 4.072 1.389 ( -4.476 -0.787 1.192) 4.698 1.571 ( 5.625 6.565 3.293) 9.251 1.743 ( 3.023 -4.587 0.937) 5.573 2.115 ( -9.713 -2.408 0.299) 10.012 2.220 ( -1.869 3.743 -2.514) 4.881 2.261 ( -0.868 0.592 0.505) 1.165 2.386 ( -1.449 -3.481 0.707) 3.836 2.432 ( 2.237 -0.391 -1.301) 2.617 2.475 ( 5.363 1.564 -3.755) 6.731 3.927 ( -2.050 2.580 -6.408) 7.206 4.050 ( 1.002 -1.947 -6.690) 7.039 4.784 ( -0.662 0.032 2.315) 2.408 4.859 ( -0.423 0.477 8.270) 8.294 6.121 ( -5.574 3.825 1.142) 6.856 6.460 ( 7.026 -5.666 1.209) 9.106 7.105 ( -3.901 4.299 -1.064) 5.902 7.172 ( 0.277 0.716 -2.054) 2.193 7.269 ( 1.066 -3.238 2.482) 4.217 13.616 ( 2.338 -0.491 5.968) 6.428 14.186 ( -1.888 0.837 -0.926) 2.264 14.308 ( 2.458 -1.412 0.035) 2.835 14.993 ( -11.146 6.730 -4.276) 13.705 15.510 ( 9.496 -5.779 -7.667) 13.503 17.398 ( 0.129 -0.041 -0.423) 0.444 ======================= Grid point 122 (31/100) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -0.000 -0.000 2.442) 2.442 1.274 ( -1.522 -3.043 0.348) 3.420 1.274 ( 1.522 3.043 0.348) 3.420 1.458 ( 0.000 -0.000 4.822) 4.822 1.621 ( -2.875 -5.751 0.152) 6.431 1.621 ( 2.875 5.751 0.152) 6.431 2.217 ( -1.236 -2.473 -0.893) 2.905 2.217 ( 1.236 2.473 -0.893) 2.905 2.345 ( -1.710 -3.420 -1.258) 4.025 2.345 ( 1.710 3.420 -1.258) 4.025 2.401 ( -0.000 0.000 1.455) 1.455 2.419 ( 0.000 0.000 -2.868) 2.868 3.995 ( -1.501 -3.001 -6.597) 7.402 3.995 ( 1.501 3.001 -6.597) 7.402 4.786 ( -0.000 -0.000 5.462) 5.462 4.870 ( -0.000 -0.000 4.786) 4.786 6.279 ( -3.871 -7.743 1.271) 8.750 6.279 ( 3.871 7.743 1.271) 8.750 7.154 ( 0.000 -0.000 -4.266) 4.266 7.211 ( -1.407 -2.815 1.984) 3.720 7.211 ( 1.407 2.815 1.984) 3.720 13.593 ( -0.000 -0.000 5.817) 5.817 14.243 ( -1.508 -3.016 -0.422) 3.399 14.243 ( 1.508 3.016 -0.422) 3.399 15.261 ( -5.750 -11.501 -5.954) 14.170 15.261 ( 5.750 11.501 -5.954) 14.170 17.397 ( -0.000 -0.000 -0.495) 0.495 ======================= Grid point 182 (32/100) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 -0.000 14.607) 14.607 0.594 ( 0.000 0.000 14.607) 14.607 0.946 ( 0.000 0.000 21.677) 21.677 1.620 ( 0.000 0.000 1.727) 1.727 1.844 ( 0.000 0.000 -3.085) 3.085 1.844 ( 0.000 -0.000 -3.085) 3.085 2.053 ( 0.000 -0.000 5.692) 5.692 2.089 ( 0.000 0.000 -2.482) 2.482 2.089 ( 0.000 -0.000 -2.482) 2.482 2.202 ( 0.000 0.000 -1.002) 1.002 2.202 ( -0.000 -0.000 -1.002) 1.002 2.426 ( 0.000 0.000 -2.921) 2.921 3.779 ( 0.000 0.000 -10.479) 10.479 3.779 ( -0.000 0.000 -10.479) 10.479 4.429 ( 0.000 0.000 -2.245) 2.245 5.895 ( 0.000 -0.000 1.182) 1.182 5.895 ( 0.000 0.000 1.182) 1.182 6.193 ( 0.000 0.000 4.318) 4.318 6.992 ( 0.000 -0.000 2.939) 2.939 6.992 ( 0.000 0.000 2.939) 2.939 7.161 ( 0.000 0.000 -4.669) 4.669 14.096 ( 0.000 -0.000 -2.922) 2.922 14.096 ( 0.000 0.000 -2.922) 2.922 14.428 ( 0.000 -0.000 1.848) 1.848 14.428 ( 0.000 0.000 1.848) 1.848 15.621 ( 0.000 -0.000 -5.757) 5.757 17.425 ( 0.000 0.000 0.392) 0.392 ======================= Grid point 183 (33/100) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 2.079 1.200 12.451) 12.681 0.694 ( 6.384 3.686 13.703) 15.560 1.105 ( 10.847 6.263 16.985) 21.104 1.582 ( -2.332 -1.346 1.902) 3.296 1.774 ( -3.877 -2.238 -3.843) 5.900 1.881 ( -0.466 -0.269 -0.915) 1.062 2.029 ( -1.093 -0.631 1.342) 1.842 2.062 ( -4.292 -2.478 1.046) 5.065 2.127 ( 3.658 2.112 2.167) 4.747 2.178 ( 3.718 2.146 -0.287) 4.303 2.270 ( 2.986 1.724 -0.959) 3.579 2.478 ( 1.881 1.086 -9.151) 9.405 3.755 ( -1.372 -0.792 -10.711) 10.828 3.809 ( 1.845 1.065 -10.391) 10.607 4.463 ( 2.717 1.569 -2.302) 3.891 5.606 ( -13.674 -7.895 13.874) 21.019 5.896 ( 0.563 0.325 1.119) 1.294 6.482 ( 14.108 8.145 -6.761) 17.637 6.985 ( -0.936 -0.541 3.013) 3.201 7.023 ( 1.655 0.955 1.915) 2.705 7.166 ( 0.876 0.506 -3.557) 3.699 14.074 ( -0.846 -0.488 -2.729) 2.898 14.186 ( 3.728 2.153 -0.606) 4.348 14.333 ( -3.999 -2.309 1.087) 4.743 14.447 ( 0.711 0.411 1.639) 1.833 15.611 ( -1.297 -0.749 -8.165) 8.301 17.421 ( -0.328 -0.190 0.296) 0.481 ======================= Grid point 184 (34/100) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 9.500 5.485 5.985) 12.496 0.874 ( 8.554 4.939 11.360) 15.054 1.380 ( 11.101 6.409 8.710) 15.498 1.542 ( -0.240 -0.138 3.063) 3.075 1.664 ( -5.310 -3.066 -3.349) 6.986 1.773 ( -6.759 -3.902 1.176) 7.892 2.019 ( 0.200 0.116 0.075) 0.243 2.044 ( -0.278 -0.161 3.453) 3.468 2.231 ( 4.666 2.694 2.154) 5.802 2.246 ( 2.810 1.622 -0.428) 3.272 2.336 ( 2.723 1.572 -0.023) 3.144 2.498 ( 0.003 0.002 -11.682) 11.682 3.717 ( -1.724 -0.995 -10.995) 11.174 3.859 ( 2.278 1.315 -10.602) 10.923 4.547 ( 4.219 2.436 -2.465) 5.460 5.362 ( -7.461 -4.307 17.760) 19.739 5.921 ( 1.508 0.871 1.079) 2.049 6.753 ( 9.021 5.209 -7.817) 13.024 6.949 ( -2.065 -1.192 3.103) 3.913 7.029 ( -0.997 -0.576 -1.388) 1.804 7.217 ( 3.188 1.841 0.486) 3.713 14.061 ( -0.243 -0.140 -2.591) 2.606 14.076 ( -8.095 -4.673 8.794) 12.834 14.441 ( 8.284 4.783 -6.328) 11.469 14.457 ( 0.067 0.038 1.486) 1.488 15.552 ( -3.511 -2.027 -11.112) 11.829 17.411 ( -0.462 -0.267 0.003) 0.533 ======================= Grid point 185 (35/100) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 10.945 6.319 3.228) 13.044 1.072 ( 7.659 4.422 8.621) 12.350 1.462 ( -1.452 -0.838 0.481) 1.744 1.537 ( -5.046 -2.914 -1.657) 6.058 1.581 ( -6.462 -3.731 1.112) 7.544 1.735 ( 10.442 6.029 3.306) 12.502 1.986 ( -3.518 -2.031 5.308) 6.684 2.031 ( 0.710 0.410 -0.727) 1.096 2.313 ( 1.856 1.071 -1.103) 2.410 2.338 ( 4.461 2.575 -2.270) 5.629 2.409 ( 3.546 2.047 3.524) 5.403 2.473 ( -2.417 -1.395 -7.625) 8.119 3.679 ( -1.429 -0.825 -11.290) 11.410 3.907 ( 1.610 0.929 -10.923) 11.080 4.645 ( 3.812 2.201 -2.682) 5.154 5.235 ( -3.702 -2.138 18.345) 18.836 5.963 ( 1.924 1.111 1.056) 2.460 6.894 ( -2.430 -1.403 3.196) 4.253 6.902 ( 3.089 1.784 -2.762) 4.512 7.003 ( -0.343 -0.198 -5.932) 5.945 7.298 ( 3.515 2.029 2.630) 4.836 13.907 ( -5.862 -3.384 9.229) 11.445 14.064 ( 0.538 0.311 -2.645) 2.717 14.450 ( -0.678 -0.391 1.538) 1.726 14.617 ( 6.063 3.500 -5.340) 8.805 15.464 ( -3.410 -1.969 -13.221) 13.795 17.401 ( -0.406 -0.234 -0.330) 0.573 ======================= Grid point 186 (36/100) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.941 -0.543 3.414) 3.583 1.203 ( 9.048 5.224 3.706) 11.086 1.385 ( -9.242 -5.336 -0.688) 10.693 1.423 ( -1.288 -0.743 0.044) 1.487 1.484 ( 2.118 1.223 3.307) 4.113 1.906 ( -0.416 -0.240 3.995) 4.024 2.014 ( 9.414 5.435 -0.735) 10.895 2.047 ( 0.539 0.311 -1.275) 1.419 2.325 ( -0.586 -0.338 -2.526) 2.615 2.376 ( -5.535 -3.195 -3.016) 7.067 2.424 ( 2.310 1.334 -2.337) 3.546 2.478 ( 1.752 1.011 4.912) 5.312 3.658 ( -0.239 -0.138 -11.435) 11.438 3.928 ( 0.141 0.082 -11.124) 11.125 4.712 ( 1.605 0.927 -2.840) 3.391 5.180 ( -1.013 -0.585 18.618) 18.655 6.002 ( 1.195 0.690 1.058) 1.738 6.846 ( -1.438 -0.830 3.246) 3.646 6.889 ( -2.800 -1.617 -0.246) 3.243 7.035 ( 1.952 1.127 -7.321) 7.660 7.370 ( 2.341 1.352 3.032) 4.062 13.814 ( -1.893 -1.093 9.171) 9.428 14.083 ( 0.993 0.573 -2.863) 3.084 14.429 ( -1.018 -0.588 1.767) 2.122 14.698 ( 0.483 0.279 -4.409) 4.444 15.421 ( 0.150 0.087 -14.552) 14.553 17.394 ( -0.171 -0.099 -0.519) 0.555 ======================= Grid point 187 (37/100) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -6.784 -3.917 1.948) 8.073 1.129 ( -10.662 -6.156 0.987) 12.351 1.375 ( 2.751 1.589 1.613) 3.563 1.459 ( 5.941 3.430 0.416) 6.872 1.602 ( 6.274 3.622 5.264) 8.955 1.899 ( -0.100 -0.058 4.898) 4.900 2.054 ( 0.010 0.006 -1.566) 1.566 2.125 ( -5.606 -3.237 1.487) 6.642 2.293 ( -2.052 -1.185 -2.707) 3.598 2.300 ( 3.924 2.266 -6.869) 8.229 2.445 ( -0.306 -0.177 -1.685) 1.722 2.479 ( -1.677 -0.968 4.559) 4.953 3.670 ( 1.286 0.742 -11.196) 11.294 3.913 ( -1.351 -0.780 -11.101) 11.210 4.714 ( -1.412 -0.815 -2.841) 3.276 5.186 ( 1.435 0.829 18.872) 18.945 6.012 ( -0.418 -0.241 1.129) 1.228 6.804 ( -4.224 -2.439 -2.013) 5.276 6.835 ( 0.572 0.330 3.176) 3.244 7.073 ( 1.350 0.779 -5.697) 5.907 7.398 ( -0.163 -0.094 2.914) 2.920 13.821 ( 2.441 1.409 9.217) 9.639 14.106 ( 0.827 0.478 -3.044) 3.191 14.407 ( -0.718 -0.414 1.961) 2.129 14.648 ( -4.137 -2.388 -4.467) 6.540 15.465 ( 3.053 1.762 -14.571) 14.991 17.394 ( 0.167 0.097 -0.485) 0.522 ======================= Grid point 188 (38/100) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -9.932 -5.734 3.183) 11.902 0.890 ( -7.360 -4.249 4.324) 9.535 1.430 ( 2.608 1.505 0.297) 3.026 1.619 ( 6.494 3.749 1.294) 7.609 1.742 ( 5.334 3.080 4.045) 7.369 1.830 ( -9.704 -5.603 6.600) 13.005 1.955 ( -2.513 -1.451 4.024) 4.961 2.049 ( -0.335 -0.193 -1.500) 1.549 2.232 ( -3.078 -1.777 -2.189) 4.174 2.343 ( -2.894 -1.671 -3.652) 4.950 2.408 ( -4.066 -2.348 3.241) 5.706 2.488 ( 4.491 2.593 -8.126) 9.640 3.711 ( 2.003 1.157 -10.730) 10.977 3.870 ( -2.183 -1.261 -10.932) 11.219 4.651 ( -3.794 -2.191 -2.688) 5.140 5.248 ( 3.906 2.255 18.991) 19.519 5.987 ( -1.547 -0.893 1.235) 2.171 6.697 ( -4.830 -2.789 -4.040) 6.887 6.868 ( 2.061 1.190 3.025) 3.849 7.101 ( 1.143 0.660 -4.967) 5.139 7.359 ( -3.163 -1.826 2.401) 4.371 13.923 ( 6.008 3.469 9.220) 11.538 14.119 ( 0.316 0.183 -3.021) 3.043 14.397 ( -0.133 -0.077 1.948) 1.954 14.528 ( -5.784 -3.339 -4.798) 8.224 15.540 ( 2.984 1.723 -13.839) 14.262 17.401 ( 0.427 0.246 -0.260) 0.557 ======================= Grid point 189 (39/100) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -6.498 -3.752 8.836) 11.592 0.727 ( -6.264 -3.616 8.056) 10.827 1.461 ( -7.388 -4.265 7.473) 11.341 1.530 ( -4.778 -2.759 4.265) 6.974 1.774 ( 4.016 2.319 -1.407) 4.846 1.842 ( 2.928 1.690 1.739) 3.802 1.970 ( 3.161 1.825 4.544) 5.829 2.047 ( 0.367 0.212 -0.427) 0.601 2.155 ( -3.220 -1.859 -1.028) 3.858 2.241 ( -4.995 -2.884 -1.730) 6.022 2.303 ( -4.556 -2.631 1.279) 5.414 2.562 ( 1.050 0.606 -10.769) 10.837 3.755 ( 1.587 0.916 -10.411) 10.571 3.818 ( -2.032 -1.173 -10.768) 11.020 4.551 ( -4.346 -2.509 -2.474) 5.595 5.376 ( 7.373 4.257 18.364) 20.241 5.947 ( -1.658 -0.958 1.281) 2.304 6.580 ( -5.283 -3.050 -5.960) 8.529 6.922 ( 2.276 1.314 2.917) 3.926 7.126 ( 0.839 0.485 -4.618) 4.719 7.250 ( -5.984 -3.455 1.567) 7.085 14.083 ( 6.837 3.947 7.739) 11.055 14.121 ( -0.116 -0.067 -2.960) 2.963 14.391 ( -5.317 -3.070 -4.439) 7.576 14.399 ( 0.276 0.159 1.893) 1.920 15.596 ( 1.707 0.986 -12.052) 12.213 17.412 ( 0.465 0.269 0.046) 0.539 ======================= Grid point 190 (40/100) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.734 -0.424 14.801) 14.825 0.612 ( -3.201 -1.848 12.227) 12.774 1.137 ( -13.524 -7.808 16.812) 22.946 1.574 ( 2.990 1.726 1.376) 3.717 1.814 ( 0.475 0.275 -3.287) 3.333 1.872 ( -0.190 -0.110 -1.224) 1.243 2.059 ( -0.192 -0.111 3.740) 3.746 2.106 ( -0.178 -0.103 -2.064) 2.075 2.107 ( 7.152 4.129 3.519) 8.977 2.131 ( -3.884 -2.242 -1.947) 4.889 2.207 ( -3.153 -1.820 -0.397) 3.662 2.521 ( -4.494 -2.594 -8.760) 10.182 3.780 ( 0.500 0.289 -10.351) 10.367 3.782 ( -0.920 -0.531 -10.650) 10.703 4.463 ( -2.801 -1.617 -2.305) 3.971 5.613 ( 13.045 7.532 13.852) 20.464 5.913 ( -1.171 -0.676 1.251) 1.842 6.422 ( -9.198 -5.311 -5.682) 12.046 6.968 ( 1.568 0.905 2.896) 3.416 7.077 ( -6.087 -3.514 1.479) 7.182 7.157 ( 0.082 0.048 -4.004) 4.005 14.114 ( -0.548 -0.317 -2.986) 3.053 14.143 ( -2.792 -1.612 -1.625) 3.611 14.366 ( 3.991 2.304 2.409) 5.200 14.410 ( 0.615 0.355 1.921) 2.048 15.619 ( 0.325 0.188 -8.524) 8.533 17.421 ( 0.308 0.178 0.302) 0.466 ======================= Grid point 192 (41/100) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 4.475 6.551 8.550) 11.664 0.764 ( 8.794 4.394 10.987) 14.743 1.346 ( 4.649 14.879 12.058) 19.707 1.534 ( -0.574 -2.510 1.320) 2.894 1.742 ( -5.758 -2.538 -2.234) 6.677 1.842 ( -3.696 -1.851 0.559) 4.171 2.003 ( -0.395 -3.266 2.655) 4.227 2.078 ( -0.924 4.349 0.862) 4.529 2.126 ( 4.074 -3.191 0.319) 5.185 2.238 ( 3.839 4.741 0.176) 6.102 2.292 ( 3.698 2.750 -0.064) 4.609 2.534 ( -2.223 1.785 -11.157) 11.515 3.746 ( -1.923 -0.230 -10.740) 10.913 3.826 ( 2.334 0.782 -10.530) 10.813 4.523 ( 2.272 4.170 -2.430) 5.335 5.419 ( -5.603 -8.559 17.493) 20.265 5.928 ( 0.113 2.389 1.186) 2.670 6.603 ( 8.805 3.222 -6.381) 11.342 6.948 ( 0.106 -1.816 1.632) 2.444 7.109 ( -2.567 3.656 -1.691) 4.777 7.191 ( 1.650 3.334 0.152) 3.723 14.082 ( -2.082 0.180 -1.694) 2.690 14.136 ( -3.992 -5.996 6.764) 9.881 14.358 ( 3.693 3.260 -4.544) 6.701 14.446 ( 3.049 1.197 0.680) 3.345 15.588 ( -2.575 -1.657 -10.776) 11.202 17.414 ( -0.282 -0.445 0.109) 0.538 ======================= Grid point 193 (42/100) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 8.803 7.084 4.691) 12.235 0.989 ( 9.706 6.867 7.819) 14.230 1.467 ( -0.564 -1.477 0.710) 1.733 1.546 ( -2.882 -1.916 0.668) 3.525 1.666 ( 3.914 7.442 5.167) 9.869 1.726 ( -7.754 -0.090 0.185) 7.757 1.978 ( 0.372 -4.017 4.158) 5.794 2.076 ( -2.557 2.838 -0.242) 3.828 2.216 ( 6.882 -0.007 -0.272) 6.887 2.324 ( 1.646 1.869 -1.156) 2.745 2.384 ( 3.115 3.968 2.600) 5.675 2.499 ( -2.105 -0.845 -10.063) 10.316 3.711 ( -2.063 0.394 -11.083) 11.280 3.874 ( 2.401 0.174 -10.775) 11.041 4.616 ( 3.094 4.043 -2.654) 5.742 5.272 ( -3.887 -4.188 18.268) 19.140 5.968 ( 0.777 3.623 1.165) 3.884 6.722 ( 5.352 -5.869 -1.226) 8.037 6.960 ( 1.901 1.575 -4.166) 4.843 7.088 ( -4.161 4.290 -0.897) 6.043 7.257 ( 2.624 2.179 2.443) 4.195 13.962 ( -5.525 -6.025 9.096) 12.230 14.078 ( -0.890 1.529 -2.219) 2.838 14.410 ( 1.874 -2.712 -0.222) 3.304 14.582 ( 5.725 7.325 -4.596) 10.371 15.501 ( -4.057 -3.258 -12.315) 13.369 17.404 ( -0.347 -0.456 -0.215) 0.612 ======================= Grid point 194 (43/100) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 8.958 4.475 4.333) 10.910 1.214 ( 4.787 8.778 4.354) 10.905 1.406 ( -2.301 -5.951 -0.053) 6.381 1.433 ( -2.044 -2.552 0.632) 3.330 1.573 ( -9.066 0.165 0.254) 9.071 1.863 ( 5.006 1.937 2.114) 5.769 1.953 ( 2.536 2.648 3.808) 5.286 2.079 ( -1.197 3.929 -1.216) 4.283 2.313 ( 2.287 -0.224 -1.102) 2.549 2.365 ( 3.641 -0.139 -1.455) 3.924 2.425 ( -3.026 -2.662 -4.816) 6.280 2.471 ( 0.998 2.385 2.684) 3.727 3.687 ( -1.791 1.634 -11.344) 11.600 3.907 ( 1.616 -0.901 -11.050) 11.204 4.699 ( 2.006 2.863 -2.852) 4.512 5.192 ( -1.731 -1.962 18.394) 18.580 6.021 ( 0.159 4.564 1.180) 4.717 6.703 ( 3.139 -9.971 1.863) 10.618 7.011 ( 0.710 0.661 -7.760) 7.821 7.060 ( -4.421 6.795 1.181) 8.192 7.326 ( 3.374 0.522 3.134) 4.634 13.834 ( -3.036 -3.534 9.190) 10.304 14.090 ( -0.044 2.189 -2.414) 3.259 14.399 ( 0.908 -3.797 0.601) 3.950 14.732 ( 1.724 7.307 -4.785) 8.903 15.405 ( -1.508 -4.193 -13.407) 14.128 17.394 ( -0.201 -0.371 -0.492) 0.649 ======================= Grid point 195 (44/100) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -6.379 -0.177 1.227) 6.499 1.236 ( -1.119 -1.767 3.956) 4.475 1.358 ( -3.114 3.109 -0.547) 4.434 1.399 ( 0.853 -1.587 -0.075) 1.803 1.547 ( 5.950 4.688 5.020) 9.087 1.871 ( 1.459 -3.220 3.712) 5.126 2.076 ( 0.277 2.873 -1.956) 3.487 2.131 ( 2.771 4.449 -1.300) 5.400 2.284 ( -3.354 -3.809 -0.626) 5.114 2.335 ( -1.818 0.200 -4.348) 4.717 2.423 ( 1.912 -1.374 -1.947) 3.056 2.493 ( -0.213 0.311 4.888) 4.902 3.685 ( -0.870 2.635 -11.332) 11.667 3.910 ( 0.282 -1.784 -11.156) 11.301 4.734 ( -0.536 1.125 -2.923) 3.178 5.169 ( 0.525 -0.516 18.553) 18.568 6.053 ( -1.864 4.187 1.248) 4.749 6.661 ( 4.016 -9.873 1.780) 10.806 6.983 ( -4.636 3.198 -3.393) 6.575 7.081 ( -0.633 3.913 -2.462) 4.666 7.373 ( 2.044 -1.094 3.122) 3.888 13.792 ( 0.912 -1.076 9.149) 9.257 14.113 ( -0.158 2.186 -2.595) 3.397 14.375 ( 1.097 -3.823 0.823) 4.062 14.762 ( -5.679 5.438 -4.569) 9.094 15.391 ( 4.200 -3.197 -13.860) 14.831 17.390 ( 0.106 -0.194 -0.580) 0.621 ======================= Grid point 197 (45/100) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -9.011 -2.358 3.180) 9.842 1.073 ( -12.465 1.408 1.653) 12.653 1.397 ( 2.328 0.761 0.345) 2.473 1.482 ( 8.227 -0.745 1.221) 8.350 1.717 ( 5.241 6.433 4.963) 9.669 1.866 ( 1.349 -3.468 3.496) 5.105 2.013 ( -9.199 -5.811 3.009) 11.289 2.093 ( -2.816 2.958 -1.358) 4.304 2.252 ( -1.119 -1.823 -1.626) 2.687 2.358 ( 0.371 0.368 -5.384) 5.410 2.421 ( 1.851 -0.458 -2.348) 3.025 2.474 ( -1.914 0.350 1.904) 2.722 3.706 ( 0.321 2.296 -11.024) 11.265 3.884 ( -0.974 -1.717 -11.053) 11.228 4.702 ( -3.351 -0.374 -2.855) 4.418 5.199 ( 2.899 0.373 18.717) 18.944 6.036 ( -3.498 2.117 1.339) 4.302 6.647 ( 3.559 -6.569 0.337) 7.479 6.938 ( -4.277 4.015 -2.193) 6.262 7.106 ( -0.173 2.531 -3.140) 4.037 7.367 ( -0.594 -2.808 2.945) 4.112 13.843 ( 5.009 0.672 9.242) 10.534 14.122 ( -0.521 0.701 -2.548) 2.694 14.366 ( 1.489 -2.319 0.580) 2.816 14.670 ( -8.952 3.388 -4.505) 10.579 15.462 ( 5.844 -1.827 -13.607) 14.921 17.394 ( 0.428 -0.009 -0.450) 0.621 ======================= Grid point 198 (46/100) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -10.107 -0.885 5.245) 11.422 0.888 ( -10.955 3.500 5.653) 12.815 1.455 ( 2.767 0.934 0.352) 2.942 1.610 ( 5.067 -3.130 1.503) 6.143 1.709 ( -9.570 -4.296 7.128) 12.682 1.834 ( 0.944 -0.374 0.889) 1.349 1.916 ( 3.905 0.860 4.513) 6.030 2.087 ( -1.572 3.556 -1.603) 4.206 2.178 ( -3.708 -3.351 -0.137) 5.000 2.315 ( -3.230 -0.214 -1.849) 3.728 2.380 ( -5.375 -0.433 2.519) 5.952 2.518 ( 3.581 0.068 -10.138) 10.752 3.734 ( 1.078 0.317 -10.745) 10.803 3.849 ( -1.738 -0.138 -10.820) 10.960 4.619 ( -5.038 -0.896 -2.658) 5.767 5.279 ( 5.763 0.635 18.636) 19.517 5.984 ( -3.305 -0.082 1.310) 3.556 6.639 ( -0.860 -0.171 -2.721) 2.859 6.924 ( -1.098 2.664 -0.555) 2.934 7.125 ( 0.037 1.157 -3.465) 3.653 7.295 ( -3.525 -3.963 2.489) 5.859 13.971 ( 8.034 1.021 9.017) 12.119 14.112 ( -0.180 -1.239 -2.290) 2.610 14.376 ( 0.725 -0.199 -0.372) 0.839 14.539 ( -8.933 2.564 -3.840) 10.055 15.539 ( 4.544 -1.470 -12.804) 13.665 17.404 ( 0.584 0.061 -0.179) 0.614 ======================= Grid point 203 (47/100) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 6.096 7.130 4.361) 10.345 1.151 ( 10.892 8.727 3.109) 14.298 1.406 ( -1.960 -3.412 -0.604) 3.981 1.454 ( -4.841 -5.167 1.032) 7.155 1.743 ( -8.819 1.069 0.749) 8.915 1.812 ( 1.610 -2.330 4.999) 5.746 1.942 ( 3.545 7.108 3.657) 8.744 2.137 ( 0.442 2.795 -2.187) 3.576 2.242 ( 4.089 1.929 0.119) 4.523 2.338 ( -0.279 0.186 -1.163) 1.210 2.433 ( -0.654 -1.968 -3.971) 4.480 2.479 ( 0.468 1.089 -0.415) 1.256 3.729 ( -0.371 1.126 -11.134) 11.197 3.870 ( 0.894 -0.387 -10.998) 11.041 4.698 ( 1.991 3.654 -2.892) 5.068 5.200 ( -1.861 -2.786 18.372) 18.675 6.059 ( 2.132 5.039 1.403) 5.649 6.592 ( -1.392 -6.239 1.118) 6.490 6.991 ( 2.603 1.425 -6.392) 7.047 7.150 ( 1.052 1.785 -0.084) 2.074 7.304 ( -1.030 2.133 3.440) 4.177 13.847 ( -3.181 -4.949 9.221) 10.938 14.118 ( -0.020 2.277 -1.904) 2.968 14.352 ( -0.268 -2.836 -0.424) 2.880 14.737 ( 6.889 7.766 -5.223) 11.621 15.415 ( -5.181 -5.121 -12.491) 14.460 17.394 ( -0.261 -0.456 -0.469) 0.704 ======================= Grid point 204 (48/100) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 6.170 4.664 3.740) 8.591 1.281 ( -6.338 -2.439 0.178) 6.793 1.369 ( 0.651 -3.527 1.167) 3.772 1.433 ( 7.443 8.544 2.132) 11.530 1.576 ( -10.003 0.338 1.360) 10.101 1.786 ( 2.128 -6.645 2.715) 7.488 2.088 ( 2.788 7.108 0.064) 7.635 2.178 ( -0.192 5.052 -1.415) 5.250 2.295 ( -1.309 -1.772 -0.169) 2.210 2.342 ( 2.703 -1.748 -2.982) 4.388 2.372 ( -1.248 -2.248 -3.518) 4.357 2.498 ( 0.025 0.324 4.589) 4.601 3.740 ( -1.175 3.394 -11.299) 11.856 3.872 ( 1.065 -2.457 -11.167) 11.484 4.751 ( 0.543 1.964 -2.987) 3.616 5.160 ( -0.439 -1.150 18.189) 18.230 6.144 ( -0.564 7.388 1.492) 7.558 6.502 ( 1.459 -9.774 1.888) 10.061 7.023 ( 0.181 0.513 -7.947) 7.965 7.177 ( -2.309 4.866 2.153) 5.801 7.316 ( 2.048 -1.482 3.353) 4.199 13.773 ( -0.819 -2.330 9.094) 9.423 14.150 ( -0.206 3.550 -1.792) 3.982 14.314 ( 0.479 -4.325 -0.394) 4.370 14.903 ( 0.338 9.332 -6.267) 11.246 15.287 ( -0.370 -7.511 -11.832) 14.019 17.387 ( -0.051 -0.294 -0.661) 0.725 ======================= Grid point 205 (49/100) ======================= q-point: (-0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -7.830 -0.791 2.460) 8.245 1.279 ( -1.475 4.591 2.884) 5.619 1.355 ( 2.644 -2.582 -0.087) 3.697 1.402 ( -5.727 1.106 0.220) 5.837 1.662 ( 7.557 5.758 4.933) 10.705 1.765 ( 3.296 -7.168 1.155) 7.973 2.118 ( -5.900 -0.508 -0.063) 5.922 2.182 ( -3.567 1.460 -0.623) 3.905 2.257 ( -0.365 2.230 -1.181) 2.550 2.338 ( 1.346 -1.313 -4.149) 4.555 2.382 ( 1.890 -1.349 -2.386) 3.329 2.497 ( -0.298 0.173 4.615) 4.628 3.746 ( -1.826 2.537 -11.232) 11.659 3.866 ( 1.012 -1.940 -11.181) 11.393 4.751 ( -1.903 0.472 -2.988) 3.574 5.161 ( 1.352 -0.272 18.236) 18.288 6.150 ( -5.685 4.003 1.573) 7.129 6.491 ( 6.650 -5.612 1.681) 8.863 7.016 ( -1.541 0.756 -7.339) 7.537 7.172 ( -3.113 4.067 1.665) 5.385 7.329 ( 1.444 -2.866 3.307) 4.608 13.774 ( 2.601 -0.553 9.107) 9.487 14.158 ( -2.236 1.583 -1.787) 3.270 14.306 ( 2.755 -2.200 -0.432) 3.552 14.884 ( -9.767 5.278 -6.235) 12.733 15.305 ( 8.107 -4.283 -11.847) 14.981 17.387 ( 0.277 -0.100 -0.653) 0.716 ======================= Grid point 213 (50/100) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.000 -0.000 2.474) 2.474 1.289 ( -1.450 -2.899 1.184) 3.451 1.289 ( 1.450 2.899 1.184) 3.451 1.579 ( 0.000 -0.000 6.252) 6.252 1.620 ( -3.029 -6.058 -0.378) 6.784 1.620 ( 3.029 6.058 -0.378) 6.784 2.200 ( -1.339 -2.679 -0.439) 3.027 2.200 ( 1.339 2.679 -0.439) 3.027 2.308 ( 0.000 0.000 -5.041) 5.041 2.318 ( -1.208 -2.416 -1.267) 2.984 2.318 ( 1.208 2.416 -1.267) 2.984 2.498 ( -0.000 -0.000 5.534) 5.534 3.812 ( -1.488 -2.976 -11.252) 11.734 3.812 ( 1.488 2.976 -11.252) 11.734 4.772 ( -0.000 -0.000 -2.997) 2.997 5.147 ( -0.000 -0.000 18.009) 18.009 6.311 ( -3.945 -7.891 1.757) 8.995 6.311 ( 3.945 7.891 1.757) 8.995 7.029 ( 0.000 -0.000 -8.062) 8.062 7.263 ( -1.665 -3.330 3.025) 4.797 7.263 ( 1.665 3.330 3.025) 4.797 13.748 ( -0.000 -0.000 9.030) 9.030 14.228 ( -1.791 -3.583 -1.118) 4.159 14.228 ( 1.791 3.583 -1.118) 4.159 15.104 ( -4.581 -9.161 -9.071) 13.682 15.104 ( 4.581 9.161 -9.071) 13.682 17.384 ( -0.000 -0.000 -0.739) 0.739 ======================= Grid point 273 (51/100) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 0.000 13.968) 13.968 0.882 ( 0.000 -0.000 13.968) 13.968 1.348 ( 0.000 0.000 17.880) 17.880 1.660 ( 0.000 0.000 2.507) 2.507 1.768 ( 0.000 -0.000 -4.554) 4.554 1.768 ( 0.000 0.000 -4.554) 4.554 2.061 ( 0.000 -0.000 -0.030) 0.030 2.061 ( 0.000 0.000 -0.030) 0.030 2.171 ( 0.000 0.000 5.691) 5.691 2.179 ( 0.000 0.000 -1.222) 1.222 2.179 ( 0.000 -0.000 -1.222) 1.222 2.346 ( 0.000 0.000 -5.172) 5.172 3.542 ( 0.000 0.000 -12.513) 12.513 3.542 ( -0.000 0.000 -12.513) 12.513 4.381 ( 0.000 0.000 -2.423) 2.423 5.918 ( -0.000 -0.000 1.040) 1.040 5.918 ( 0.000 0.000 1.040) 1.040 6.301 ( 0.000 0.000 6.454) 6.454 7.045 ( 0.000 0.000 -6.808) 6.808 7.052 ( 0.000 -0.000 2.832) 2.832 7.052 ( 0.000 0.000 2.832) 2.832 14.041 ( 0.000 0.000 -2.430) 2.430 14.041 ( 0.000 -0.000 -2.430) 2.430 14.460 ( 0.000 0.000 1.361) 1.361 14.460 ( 0.000 0.000 1.361) 1.361 15.503 ( 0.000 0.000 -5.557) 5.557 17.431 ( 0.000 0.000 0.227) 0.227 ======================= Grid point 274 (52/100) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -0.920 -0.531 13.556) 13.598 0.972 ( 5.133 2.963 13.684) 14.912 1.424 ( 5.248 3.030 13.976) 15.234 1.632 ( -1.333 -0.769 3.339) 3.677 1.686 ( -3.842 -2.218 -4.904) 6.613 1.846 ( 1.798 1.038 -2.722) 3.424 2.044 ( -0.761 -0.439 1.241) 1.521 2.063 ( -3.043 -1.757 -0.046) 3.514 2.162 ( 4.935 2.849 -1.357) 5.858 2.186 ( 2.009 1.160 1.399) 2.709 2.265 ( 4.168 2.407 1.706) 5.107 2.333 ( -2.019 -1.165 -5.777) 6.230 3.516 ( -1.493 -0.862 -12.467) 12.586 3.573 ( 1.873 1.081 -12.457) 12.644 4.413 ( 2.607 1.505 -2.496) 3.911 5.831 ( -6.075 -3.508 8.771) 11.231 5.920 ( 0.586 0.338 1.150) 1.334 6.411 ( 7.976 4.605 -0.721) 9.238 7.006 ( -1.755 -1.013 -4.655) 5.077 7.045 ( -0.934 -0.539 2.734) 2.939 7.129 ( 4.740 2.736 0.931) 5.551 14.025 ( -0.614 -0.355 -2.075) 2.193 14.126 ( 6.173 3.564 -3.624) 7.996 14.388 ( -5.238 -3.024 2.961) 6.734 14.474 ( 0.469 0.271 1.007) 1.144 15.462 ( -3.411 -1.969 -6.491) 7.593 17.426 ( -0.487 -0.281 0.148) 0.581 ======================= Grid point 275 (53/100) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 4.762 2.750 9.714) 11.163 1.112 ( 6.409 3.700 11.779) 13.910 1.510 ( 0.514 0.297 4.079) 4.122 1.591 ( -4.070 -2.350 -3.756) 6.016 1.660 ( 4.346 2.509 7.791) 9.267 1.774 ( -6.317 -3.647 -0.905) 7.350 2.034 ( -0.067 -0.039 1.743) 1.745 2.083 ( 3.060 1.767 0.983) 3.668 2.237 ( 1.886 1.089 -1.717) 2.773 2.251 ( -1.763 -1.018 -1.416) 2.480 2.300 ( 3.835 2.214 -5.969) 7.432 2.377 ( 5.311 3.066 3.792) 7.210 3.474 ( -1.958 -1.131 -12.561) 12.763 3.622 ( 2.117 1.222 -12.405) 12.643 4.494 ( 4.034 2.329 -2.677) 5.372 5.695 ( -4.976 -2.873 15.280) 16.325 5.945 ( 1.509 0.871 1.219) 2.127 6.612 ( 8.363 4.829 -6.317) 11.540 6.962 ( -1.938 -1.119 -4.698) 5.203 7.009 ( -2.017 -1.165 2.701) 3.567 7.249 ( 5.115 2.953 2.260) 6.324 14.015 ( -0.176 -0.101 -1.856) 1.867 14.231 ( -6.188 -3.572 6.424) 9.608 14.310 ( 7.499 4.329 -6.260) 10.685 14.480 ( -0.010 -0.006 0.780) 0.780 15.354 ( -5.477 -3.162 -8.361) 10.484 17.411 ( -0.742 -0.429 -0.080) 0.861 ======================= Grid point 276 (54/100) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 8.755 5.055 4.741) 11.166 1.240 ( 3.146 1.817 6.820) 7.728 1.483 ( -2.097 -1.210 1.493) 2.845 1.519 ( -0.846 -0.489 0.838) 1.287 1.574 ( -8.509 -4.913 -2.099) 10.048 1.822 ( 6.563 3.789 5.172) 9.175 2.039 ( 0.328 0.189 1.662) 1.705 2.070 ( -2.898 -1.673 2.847) 4.393 2.265 ( 0.402 0.232 -3.367) 3.399 2.289 ( 4.332 2.501 -3.244) 5.962 2.372 ( 1.572 0.908 -1.386) 2.284 2.502 ( 4.921 2.841 4.941) 7.530 3.429 ( -1.758 -1.015 -12.940) 13.098 3.665 ( 1.439 0.831 -12.473) 12.584 4.588 ( 3.621 2.090 -2.906) 5.091 5.604 ( -2.807 -1.620 17.936) 18.227 5.986 ( 1.887 1.089 1.201) 2.488 6.778 ( 5.301 3.061 -9.084) 10.954 6.917 ( -1.784 -1.030 -2.798) 3.474 6.956 ( -2.338 -1.350 2.771) 3.869 7.359 ( 4.151 2.397 3.157) 5.740 14.018 ( 0.387 0.223 -1.904) 1.956 14.084 ( -5.413 -3.125 7.799) 9.995 14.473 ( -0.528 -0.305 0.817) 1.019 14.489 ( 6.703 3.870 -6.766) 10.280 15.224 ( -5.153 -2.975 -10.215) 11.822 17.394 ( -0.647 -0.374 -0.362) 0.830 ======================= Grid point 277 (55/100) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -3.956 -2.284 1.217) 4.727 1.257 ( 9.438 5.449 1.961) 11.073 1.362 ( -9.247 -5.339 -1.722) 10.815 1.428 ( -2.236 -1.291 0.614) 2.654 1.586 ( 5.463 3.154 6.749) 9.238 1.958 ( 3.967 2.290 1.378) 4.783 2.036 ( 1.086 0.627 2.603) 2.889 2.045 ( 0.174 0.101 1.345) 1.360 2.257 ( -1.064 -0.614 -4.232) 4.407 2.335 ( -2.149 -1.240 -1.343) 2.821 2.404 ( 2.117 1.222 0.482) 2.491 2.587 ( 1.929 1.113 5.500) 5.934 3.402 ( -0.333 -0.192 -13.410) 13.415 3.684 ( 0.140 0.081 -12.474) 12.475 4.650 ( 1.506 0.870 -3.093) 3.549 5.564 ( -0.624 -0.360 18.947) 18.961 6.025 ( 1.152 0.665 1.098) 1.725 6.817 ( -2.283 -1.318 -9.005) 9.383 6.910 ( -1.363 -0.787 2.924) 3.320 6.917 ( 2.073 1.197 -2.167) 3.229 7.436 ( 2.238 1.292 3.297) 4.189 13.996 ( -1.832 -1.058 8.299) 8.565 14.031 ( 0.716 0.414 -2.201) 2.352 14.458 ( -0.739 -0.427 1.104) 1.395 14.590 ( 1.325 0.765 -5.916) 6.110 15.144 ( -1.035 -0.598 -12.195) 12.254 17.383 ( -0.245 -0.142 -0.540) 0.610 ======================= Grid point 278 (56/100) ======================= q-point: (-0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -5.100 -2.944 2.458) 6.381 1.152 ( -8.271 -4.776 1.676) 9.697 1.396 ( 0.015 0.009 0.080) 0.081 1.467 ( 7.889 4.555 0.291) 9.114 1.721 ( 5.485 3.167 6.500) 9.075 1.991 ( 0.203 0.117 3.702) 3.709 2.044 ( -0.282 -0.163 0.848) 0.908 2.115 ( 2.808 1.621 -2.452) 4.065 2.218 ( -2.098 -1.211 -4.622) 5.219 2.234 ( -4.910 -2.835 0.613) 5.703 2.427 ( -0.438 -0.253 0.143) 0.526 2.582 ( -2.252 -1.300 5.295) 5.899 3.418 ( 1.638 0.946 -13.322) 13.456 3.672 ( -1.191 -0.688 -12.305) 12.382 4.652 ( -1.355 -0.782 -3.138) 3.506 5.574 ( 1.446 0.835 19.165) 19.238 6.034 ( -0.413 -0.239 0.985) 1.095 6.729 ( -4.735 -2.733 -6.232) 8.290 6.900 ( 0.556 0.321 3.058) 3.124 6.963 ( 1.603 0.925 -4.447) 4.816 7.456 ( -0.627 -0.362 2.804) 2.896 14.002 ( 2.259 1.304 8.134) 8.542 14.048 ( 0.627 0.362 -2.575) 2.675 14.442 ( -0.515 -0.297 1.469) 1.585 14.552 ( -3.964 -2.289 -4.848) 6.668 15.177 ( 3.283 1.896 -13.133) 13.670 17.383 ( 0.282 0.163 -0.527) 0.619 ======================= Grid point 279 (57/100) ======================= q-point: (-0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -5.151 -2.974 7.532) 9.597 0.992 ( -4.430 -2.558 5.628) 7.606 1.426 ( 2.451 1.415 -0.954) 2.987 1.626 ( 5.515 3.184 -0.561) 6.393 1.829 ( 3.445 1.989 4.494) 6.002 1.967 ( -5.648 -3.261 6.404) 9.140 2.021 ( -4.083 -2.357 2.440) 5.309 2.035 ( -0.321 -0.185 0.251) 0.448 2.164 ( -2.429 -1.402 -4.175) 5.029 2.244 ( 2.108 1.217 -5.723) 6.219 2.392 ( -1.846 -1.066 -1.218) 2.455 2.493 ( -4.979 -2.875 4.633) 7.384 3.468 ( 2.365 1.365 -12.863) 13.150 3.632 ( -2.034 -1.174 -12.105) 12.330 4.592 ( -3.610 -2.084 -3.000) 5.136 5.628 ( 3.155 1.822 18.460) 18.816 6.009 ( -1.525 -0.881 0.924) 1.989 6.606 ( -5.519 -3.186 -5.400) 8.353 6.932 ( 1.992 1.150 3.091) 3.853 6.994 ( 1.102 0.636 -5.362) 5.511 7.404 ( -3.812 -2.201 2.054) 4.857 14.059 ( 0.277 0.160 -2.816) 2.834 14.092 ( 4.987 2.879 7.019) 9.079 14.434 ( -5.576 -3.219 -4.245) 7.712 14.435 ( -0.089 -0.052 1.708) 1.711 15.271 ( 4.423 2.553 -12.036) 13.075 17.395 ( 0.663 0.383 -0.343) 0.839 ======================= Grid point 280 (58/100) ======================= q-point: (-0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -2.936 -1.695 9.271) 9.871 0.916 ( -1.378 -0.796 13.555) 13.648 1.500 ( 3.549 2.049 -0.568) 4.137 1.679 ( -5.619 -3.244 3.158) 7.215 1.768 ( -3.685 -2.127 4.627) 6.286 1.869 ( -0.140 -0.081 0.674) 0.693 2.026 ( 2.500 1.443 1.172) 3.115 2.045 ( 1.487 0.858 0.552) 1.803 2.110 ( -1.988 -1.148 -2.643) 3.501 2.221 ( -3.645 -2.105 -0.582) 4.249 2.366 ( -5.541 -3.199 4.147) 7.625 2.382 ( 0.486 0.281 -6.781) 6.804 3.518 ( 1.722 0.994 -12.614) 12.769 3.583 ( -2.029 -1.172 -12.093) 12.318 4.497 ( -4.134 -2.387 -2.744) 5.506 5.719 ( 4.479 2.586 15.599) 16.434 5.970 ( -1.652 -0.954 0.911) 2.114 6.480 ( -5.007 -2.891 -4.149) 7.116 6.984 ( 2.214 1.278 3.042) 3.974 7.016 ( 0.782 0.452 -6.084) 6.150 7.283 ( -6.220 -3.591 1.655) 7.371 14.061 ( -0.090 -0.052 -2.860) 2.862 14.179 ( -0.327 -0.189 1.015) 1.083 14.340 ( 0.096 0.055 0.172) 0.205 14.437 ( 0.258 0.149 1.761) 1.786 15.375 ( 4.332 2.501 -9.445) 10.688 17.411 ( 0.717 0.414 -0.079) 0.832 ======================= Grid point 281 (59/100) ======================= q-point: (-0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.582 -0.336 12.377) 12.395 0.908 ( 0.000 0.000 15.532) 15.532 1.453 ( -8.359 -4.826 13.883) 16.908 1.599 ( 3.996 2.307 0.535) 4.645 1.748 ( -0.715 -0.413 -2.517) 2.649 1.835 ( -2.388 -1.379 -2.826) 3.948 2.073 ( -0.865 -0.500 -0.785) 1.271 2.099 ( -0.603 -0.348 -0.409) 0.808 2.102 ( 2.808 1.621 0.669) 3.311 2.145 ( 1.290 0.745 0.199) 1.503 2.246 ( -4.402 -2.542 3.917) 6.417 2.373 ( -1.422 -0.821 -6.432) 6.638 3.544 ( 0.490 0.283 -12.558) 12.570 3.546 ( -0.987 -0.570 -12.320) 12.372 4.413 ( -2.669 -1.541 -2.510) 3.975 5.834 ( 5.085 2.936 8.524) 10.351 5.936 ( -1.165 -0.673 0.949) 1.647 6.372 ( -4.312 -2.490 0.286) 4.987 7.029 ( 1.525 0.880 2.947) 3.433 7.029 ( 0.387 0.223 -6.160) 6.176 7.137 ( -5.534 -3.195 1.805) 6.640 14.055 ( -0.440 -0.254 -2.728) 2.775 14.091 ( -4.314 -2.491 -2.741) 5.686 14.419 ( 3.767 2.175 2.268) 4.905 14.446 ( 0.513 0.296 1.645) 1.749 15.465 ( 3.036 1.753 -6.688) 7.551 17.426 ( 0.460 0.266 0.145) 0.551 ======================= Grid point 283 (60/100) ======================= q-point: ( 0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.640 2.853 11.421) 11.789 1.006 ( 7.629 1.012 12.755) 14.897 1.527 ( -0.852 -0.939 2.605) 2.897 1.588 ( 0.210 4.788 4.323) 6.454 1.715 ( -2.871 3.006 2.085) 4.650 1.839 ( -3.509 -1.128 -1.212) 3.880 2.027 ( -0.083 -1.297 0.795) 1.524 2.083 ( -0.249 3.472 0.249) 3.490 2.137 ( 4.115 -4.619 -0.296) 6.194 2.228 ( 4.913 3.263 -1.063) 5.993 2.336 ( 2.410 5.104 2.425) 6.143 2.351 ( -2.368 1.097 -5.485) 6.074 3.507 ( -2.167 -0.273 -12.507) 12.696 3.591 ( 2.277 0.775 -12.304) 12.537 4.471 ( 2.179 3.949 -2.653) 5.233 5.736 ( -3.759 -4.864 14.060) 15.345 5.952 ( 0.173 2.408 1.083) 2.645 6.498 ( 7.481 3.683 -4.078) 9.282 6.961 ( -2.647 -2.983 -2.171) 4.540 7.059 ( 0.689 1.136 -0.965) 1.642 7.221 ( 1.930 5.916 2.042) 6.549 14.036 ( -1.477 1.006 -2.162) 2.805 14.207 ( 5.346 2.732 -2.061) 6.347 14.312 ( -4.685 -3.168 2.375) 6.134 14.468 ( 1.656 -0.182 1.038) 1.963 15.395 ( -3.231 -4.364 -8.211) 9.844 17.415 ( -0.437 -0.689 -0.008) 0.816 ======================= Grid point 284 (61/100) ======================= q-point: ( 0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 6.020 5.620 6.837) 10.704 1.167 ( 8.074 2.376 9.324) 12.561 1.478 ( -0.771 -4.479 -0.233) 4.550 1.542 ( -5.030 -1.436 0.095) 5.232 1.711 ( -8.438 -0.546 -1.875) 8.661 1.801 ( 2.996 8.478 7.311) 11.589 2.039 ( 1.200 -0.770 2.450) 2.834 2.088 ( -1.885 -1.171 1.126) 2.489 2.198 ( 5.639 0.819 -1.498) 5.892 2.302 ( -1.859 1.629 -4.040) 4.736 2.330 ( 3.552 0.333 -3.172) 4.774 2.462 ( 4.062 4.979 4.455) 7.819 3.466 ( -2.372 0.279 -12.713) 12.936 3.635 ( 2.173 0.115 -12.352) 12.542 4.558 ( 2.970 3.771 -2.878) 5.597 5.632 ( -3.093 -3.059 17.309) 17.848 5.993 ( 0.762 3.707 1.197) 3.969 6.657 ( 7.737 -0.520 -5.291) 9.387 6.882 ( -2.123 -3.880 -3.803) 5.833 7.076 ( -2.040 4.742 0.149) 5.164 7.314 ( 3.207 3.200 2.879) 5.368 14.030 ( -0.650 1.351 -1.753) 2.306 14.139 ( -5.168 -5.010 7.355) 10.292 14.364 ( 4.972 -0.305 -4.393) 6.641 14.516 ( 2.308 4.630 -1.496) 5.386 15.274 ( -4.861 -4.543 -9.709) 11.770 17.399 ( -0.569 -0.692 -0.265) 0.935 ======================= Grid point 285 (62/100) ======================= q-point: ( 0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 8.101 5.303 3.851) 10.420 1.277 ( -1.121 1.969 1.198) 2.564 1.430 ( -0.035 -3.756 1.968) 4.240 1.456 ( -1.753 -1.699 2.317) 3.366 1.565 ( -5.710 0.708 -0.662) 5.791 1.919 ( 2.283 2.901 3.303) 4.954 2.025 ( 0.511 -0.746 2.967) 3.101 2.076 ( -0.873 3.416 1.235) 3.736 2.269 ( 0.118 0.360 -3.399) 3.420 2.324 ( 2.666 0.589 -2.938) 4.011 2.363 ( 1.499 -1.631 0.460) 2.263 2.565 ( 2.619 2.859 5.185) 6.474 3.435 ( -2.086 1.655 -13.082) 13.350 3.664 ( 1.477 -0.941 -12.455) 12.577 4.637 ( 1.944 2.618 -3.107) 4.503 5.570 ( -1.299 -1.658 18.666) 18.784 6.045 ( 0.068 4.711 1.194) 4.861 6.729 ( 4.891 -8.676 0.146) 9.961 6.828 ( -0.542 -0.328 -9.837) 9.857 7.084 ( -4.063 7.386 1.174) 8.511 7.393 ( 3.359 0.769 3.361) 4.814 14.013 ( -2.396 -2.959 7.178) 8.125 14.048 ( -0.957 1.979 -0.916) 2.381 14.394 ( 2.456 -4.727 -1.263) 5.474 14.628 ( 1.666 7.176 -4.871) 8.831 15.153 ( -3.053 -4.011 -10.924) 12.031 17.384 ( -0.330 -0.530 -0.498) 0.799 ======================= Grid point 286 (63/100) ======================= q-point: ( 0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -5.595 -0.405 1.455) 5.795 1.288 ( -7.381 -0.865 0.707) 7.465 1.363 ( 4.811 3.814 1.012) 6.222 1.399 ( -1.262 -1.646 0.418) 2.116 1.646 ( 7.620 3.290 4.899) 9.638 1.935 ( 2.314 -4.628 2.276) 5.653 2.062 ( -0.192 2.403 0.589) 2.482 2.112 ( 0.576 5.081 0.019) 5.114 2.254 ( -2.019 -0.045 -3.629) 4.153 2.288 ( -3.492 -2.518 0.725) 4.366 2.399 ( 2.290 -1.615 -0.192) 2.809 2.602 ( -0.372 0.335 5.528) 5.550 3.431 ( -0.869 2.880 -13.262) 13.599 3.667 ( 0.366 -1.763 -12.407) 12.537 4.670 ( -0.471 0.971 -3.229) 3.404 5.554 ( 0.763 -0.595 19.122) 19.147 6.078 ( -1.977 4.427 1.141) 4.980 6.687 ( 2.339 -9.455 0.283) 9.744 6.837 ( 1.036 -0.468 -9.277) 9.347 7.084 ( -4.615 7.568 1.306) 8.959 7.438 ( 1.709 -1.123 3.150) 3.755 13.974 ( 0.871 -1.046 8.377) 8.487 14.062 ( -0.604 2.466 -2.321) 3.440 14.380 ( 2.064 -5.226 -0.446) 5.636 14.667 ( -4.799 5.034 -4.517) 8.293 15.119 ( 2.938 -1.918 -12.229) 12.723 17.378 ( 0.163 -0.250 -0.582) 0.654 ======================= Grid point 288 (64/100) ======================= q-point: (-0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -6.697 -0.828 5.018) 8.410 1.117 ( -9.370 2.882 2.854) 10.210 1.395 ( 1.829 -0.199 -0.739) 1.983 1.509 ( 7.635 -0.224 1.314) 7.750 1.804 ( 4.676 4.259 3.569) 7.263 1.927 ( 3.100 -5.575 2.018) 6.691 2.053 ( -2.745 -0.240 1.064) 2.954 2.104 ( -6.290 -1.192 2.383) 6.831 2.208 ( -0.075 0.150 -2.455) 2.461 2.246 ( -1.653 3.271 -4.218) 5.588 2.389 ( -0.335 -3.087 -0.206) 3.112 2.560 ( -3.956 -0.672 4.961) 6.381 3.459 ( 0.626 2.446 -13.034) 13.276 3.644 ( -0.771 -1.670 -12.215) 12.353 4.640 ( -3.137 -0.428 -3.164) 4.476 5.582 ( 2.746 -0.009 18.907) 19.105 6.062 ( -3.630 2.360 1.111) 4.470 6.632 ( -0.499 -4.907 -2.586) 5.569 6.856 ( 2.553 -1.516 -5.312) 6.085 7.079 ( -3.776 6.104 0.295) 7.184 7.424 ( -1.231 -2.672 2.602) 3.927 14.021 ( 4.345 0.492 7.559) 8.733 14.071 ( -0.545 1.551 -2.071) 2.644 14.365 ( 1.671 -4.293 -0.836) 4.682 14.588 ( -7.756 3.167 -3.295) 9.002 15.193 ( 5.718 -0.254 -12.211) 13.486 17.385 ( 0.654 0.008 -0.483) 0.813 ======================= Grid point 289 (65/100) ======================= q-point: (-0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -6.476 -0.846 7.677) 10.079 1.037 ( -5.938 5.556 9.010) 12.137 1.452 ( 3.710 1.146 -1.009) 4.012 1.618 ( 6.059 -2.963 -0.132) 6.746 1.841 ( 0.259 -4.569 0.665) 4.625 1.872 ( -8.851 -4.509 7.082) 12.200 1.982 ( 2.925 2.011 2.466) 4.322 2.070 ( -0.658 3.103 -0.126) 3.175 2.163 ( -3.897 -0.593 -1.125) 4.100 2.271 ( -1.481 2.251 -3.915) 4.752 2.354 ( 0.543 -2.338 -3.825) 4.516 2.458 ( -6.468 -0.667 4.272) 7.780 3.492 ( 1.378 0.206 -12.729) 12.805 3.612 ( -1.596 -0.132 -12.120) 12.225 4.561 ( -4.745 -0.870 -2.929) 5.643 5.646 ( 4.493 -0.054 17.556) 18.122 6.009 ( -3.432 0.007 1.078) 3.598 6.568 ( -4.342 0.889 -4.505) 6.320 6.900 ( 4.180 -1.685 -2.543) 5.175 7.074 ( -2.549 3.679 -0.965) 4.578 7.343 ( -4.344 -3.312 2.154) 5.872 14.055 ( -0.232 -0.820 -2.030) 2.202 14.142 ( 5.981 1.738 6.293) 8.854 14.338 ( -1.536 -2.316 -3.024) 4.107 14.494 ( -5.089 2.282 -0.646) 5.615 15.296 ( 5.946 -0.038 -10.644) 12.192 17.399 ( 0.895 0.093 -0.257) 0.936 ======================= Grid point 294 (66/100) ======================= q-point: ( 0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 5.493 6.348 5.080) 9.812 1.228 ( 9.698 4.088 4.536) 11.461 1.389 ( -2.056 -3.463 -0.867) 4.120 1.484 ( -4.201 -3.894 1.844) 6.018 1.734 ( -9.293 2.011 -1.565) 9.636 1.912 ( -0.719 -4.589 4.049) 6.162 2.016 ( 2.251 6.016 3.680) 7.403 2.114 ( 1.226 2.750 0.141) 3.014 2.230 ( 3.464 1.055 -1.134) 3.795 2.308 ( 1.598 -0.984 -4.743) 5.101 2.332 ( -1.082 0.589 0.136) 1.240 2.555 ( 2.272 3.704 4.846) 6.509 3.481 ( -0.549 1.031 -12.883) 12.936 3.630 ( 0.713 -0.515 -12.291) 12.323 4.635 ( 1.873 3.404 -3.177) 5.018 5.577 ( -1.795 -2.318 18.619) 18.849 6.087 ( 2.150 5.207 1.236) 5.768 6.601 ( 0.740 -4.356 -0.780) 4.487 6.837 ( -1.082 -0.741 -8.374) 8.476 7.162 ( 2.832 3.412 1.004) 4.547 7.371 ( -0.313 2.177 3.042) 3.754 14.022 ( -2.535 -3.820 6.864) 8.254 14.083 ( -0.218 1.446 -0.626) 1.590 14.327 ( -0.102 -2.434 -2.171) 3.263 14.638 ( 5.253 6.546 -4.118) 9.349 15.174 ( -4.491 -5.237 -10.753) 12.776 17.384 ( -0.410 -0.674 -0.473) 0.920 ======================= Grid point 295 (67/100) ======================= q-point: ( 0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 5.811 3.502 4.008) 7.880 1.281 ( -4.529 -0.613 -0.076) 4.571 1.399 ( -1.785 -3.000 1.522) 3.808 1.467 ( 5.526 5.618 1.853) 8.095 1.586 ( -6.275 1.583 -0.484) 6.489 1.840 ( 0.944 -8.093 2.063) 8.405 2.105 ( 0.258 5.734 1.590) 5.956 2.168 ( 0.240 4.864 0.677) 4.917 2.274 ( 0.189 -0.150 -2.781) 2.791 2.300 ( -1.162 -2.871 0.573) 3.150 2.332 ( 2.374 -1.138 -0.873) 2.773 2.605 ( 0.654 1.125 5.535) 5.686 3.491 ( -1.268 3.555 -12.906) 13.446 3.628 ( 1.009 -2.548 -12.454) 12.752 4.684 ( 0.537 1.797 -3.367) 3.854 5.540 ( -0.326 -1.112 19.096) 19.131 6.173 ( -0.625 7.618 1.282) 7.751 6.535 ( 1.680 -9.722 1.351) 9.958 6.832 ( 0.082 0.265 -10.967) 10.970 7.221 ( -1.966 5.926 2.042) 6.569 7.385 ( 1.839 -1.640 3.287) 4.108 13.955 ( -0.778 -2.264 8.466) 8.798 14.111 ( -0.604 3.877 -1.962) 4.386 14.294 ( 1.096 -4.942 -1.615) 5.313 14.775 ( 0.831 7.283 -5.909) 9.415 15.057 ( -1.211 -5.599 -10.292) 11.779 17.374 ( -0.087 -0.411 -0.617) 0.746 ======================= Grid point 296 (68/100) ======================= q-point: (-0.56 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -5.612 1.052 3.443) 6.668 1.323 ( -3.005 2.125 0.413) 3.704 1.367 ( -2.045 -0.048 2.010) 2.868 1.409 ( -0.078 1.073 0.791) 1.335 1.725 ( 7.897 2.924 0.728) 8.452 1.795 ( 3.980 -7.413 1.767) 8.598 2.121 ( -3.511 2.337 0.645) 4.266 2.197 ( -4.703 -0.634 1.695) 5.039 2.221 ( -0.418 2.128 -1.457) 2.613 2.287 ( 0.308 0.955 -1.055) 1.456 2.348 ( 1.292 -2.929 -0.871) 3.318 2.605 ( -1.392 0.054 5.510) 5.683 3.497 ( -1.847 2.650 -12.917) 13.315 3.622 ( 1.181 -1.967 -12.392) 12.603 4.685 ( -1.770 0.402 -3.378) 3.835 5.542 ( 1.368 -0.411 19.125) 19.179 6.179 ( -5.806 4.163 1.300) 7.261 6.520 ( 5.966 -5.483 1.068) 8.173 6.834 ( -0.037 -0.067 -10.544) 10.544 7.214 ( -4.666 4.759 2.138) 7.000 7.395 ( 1.354 -2.702 3.054) 4.297 13.957 ( 2.515 -0.552 8.456) 8.839 14.118 ( -2.462 2.206 -2.120) 3.927 14.287 ( 3.032 -3.107 -1.491) 4.590 14.761 ( -7.731 3.621 -5.480) 10.145 15.070 ( 6.445 -2.438 -10.685) 12.715 17.374 ( 0.410 -0.137 -0.613) 0.751 ======================= Grid point 304 (69/100) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 -0.000 1.866) 1.866 1.326 ( -1.429 -2.859 2.511) 4.064 1.326 ( 1.429 2.858 2.511) 4.064 1.605 ( -3.009 -6.018 -1.101) 6.818 1.605 ( 3.009 6.018 -1.101) 6.818 1.676 ( -0.000 0.000 2.994) 2.994 2.209 ( -1.633 -3.266 1.391) 3.908 2.209 ( 1.633 3.266 1.391) 3.908 2.237 ( 0.000 -0.000 -1.695) 1.695 2.297 ( -0.961 -1.922 -0.740) 2.272 2.297 ( 0.961 1.922 -0.740) 2.272 2.616 ( -0.000 -0.000 5.781) 5.781 3.565 ( -1.557 -3.114 -12.622) 13.093 3.565 ( 1.557 3.114 -12.622) 13.093 4.704 ( -0.000 -0.000 -3.481) 3.481 5.528 ( -0.000 -0.000 19.220) 19.220 6.344 ( -3.993 -7.986 1.394) 9.037 6.344 ( 3.993 7.986 1.394) 9.037 6.835 ( -0.000 -0.000 -11.159) 11.159 7.325 ( -1.933 -3.865 2.884) 5.195 7.325 ( 1.933 3.865 2.884) 5.195 13.931 ( -0.000 -0.000 8.598) 8.598 14.197 ( -2.005 -4.010 -1.892) 4.867 14.197 ( 2.005 4.010 -1.892) 4.867 14.925 ( -3.301 -6.601 -8.167) 11.008 14.925 ( 3.300 6.601 -8.167) 11.008 17.369 ( -0.000 -0.000 -0.666) 0.666 ======================= Grid point 364 (70/100) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 0.000 11.536) 11.536 1.144 ( 0.000 -0.000 11.536) 11.536 1.609 ( 0.000 0.000 5.798) 5.798 1.658 ( -0.000 -0.000 -6.177) 6.177 1.658 ( 0.000 0.000 -6.177) 6.177 1.767 ( 0.000 0.000 10.126) 10.126 2.088 ( 0.000 -0.000 2.313) 2.313 2.088 ( 0.000 -0.000 2.313) 2.313 2.157 ( 0.000 -0.000 -0.835) 0.835 2.157 ( -0.000 -0.000 -0.835) 0.835 2.216 ( 0.000 0.000 -7.809) 7.809 2.267 ( 0.000 0.000 3.545) 3.545 3.309 ( -0.000 0.000 -9.626) 9.626 3.309 ( 0.000 0.000 -9.626) 9.626 4.339 ( 0.000 0.000 -1.604) 1.604 5.934 ( 0.000 -0.000 0.577) 0.577 5.934 ( 0.000 0.000 0.577) 0.577 6.444 ( 0.000 0.000 7.279) 7.279 6.897 ( 0.000 0.000 -7.501) 7.501 7.098 ( 0.000 -0.000 1.701) 1.701 7.098 ( 0.000 0.000 1.701) 1.701 14.002 ( 0.000 -0.000 -1.358) 1.358 14.002 ( 0.000 0.000 -1.358) 1.358 14.481 ( 0.000 0.000 0.700) 0.700 14.481 ( 0.000 -0.000 0.700) 0.700 15.411 ( -0.000 -0.000 -3.347) 3.347 17.434 ( 0.000 0.000 0.071) 0.071 ======================= Grid point 365 (71/100) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.432 -0.827 12.451) 12.560 1.222 ( 3.791 2.188 10.039) 10.952 1.585 ( -2.691 -1.554 -4.254) 5.268 1.605 ( -0.697 -0.402 3.752) 3.837 1.705 ( 1.325 0.765 -2.713) 3.115 1.811 ( 2.407 1.390 5.522) 6.182 2.062 ( -3.189 -1.841 -0.780) 3.763 2.088 ( -0.131 -0.076 2.661) 2.666 2.149 ( 3.311 1.912 0.599) 3.870 2.171 ( 0.556 0.321 -1.700) 1.817 2.230 ( 0.264 0.152 -4.436) 4.447 2.327 ( 4.316 2.492 2.890) 5.761 3.287 ( -1.326 -0.766 -9.204) 9.330 3.339 ( 1.968 1.136 -9.794) 10.054 4.369 ( 2.503 1.445 -1.657) 3.331 5.940 ( 0.717 0.414 0.801) 1.152 5.959 ( 1.317 0.760 4.021) 4.299 6.441 ( 0.514 0.296 3.130) 3.186 6.883 ( -0.901 -0.520 -6.347) 6.432 7.089 ( -1.047 -0.604 1.491) 1.920 7.162 ( 4.879 2.817 1.579) 5.851 13.994 ( -0.329 -0.190 -0.969) 1.041 14.064 ( 4.715 2.722 -2.334) 5.924 14.435 ( -3.491 -2.015 1.692) 4.371 14.488 ( 0.188 0.109 0.333) 0.397 15.358 ( -4.337 -2.504 -3.669) 6.208 17.427 ( -0.590 -0.341 0.029) 0.682 ======================= Grid point 366 (72/100) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.998 0.576 10.931) 10.992 1.299 ( 1.955 1.129 4.247) 4.810 1.549 ( 0.266 0.154 1.859) 1.885 1.574 ( -1.822 -1.052 2.665) 3.395 1.674 ( -5.623 -3.247 -6.523) 9.204 1.849 ( 2.570 1.484 7.283) 7.864 2.087 ( 0.153 0.088 3.004) 3.009 2.089 ( 5.074 2.930 -0.873) 5.924 2.158 ( -2.213 -1.278 -2.873) 3.845 2.186 ( 0.474 0.274 -2.998) 3.047 2.294 ( 4.602 2.657 1.042) 5.415 2.448 ( 5.779 3.337 2.610) 7.166 3.247 ( -2.049 -1.183 -8.949) 9.256 3.391 ( 2.212 1.277 -9.646) 9.978 4.447 ( 3.872 2.235 -1.780) 4.812 5.967 ( 1.552 0.896 0.935) 2.021 5.970 ( -0.529 -0.305 11.814) 11.830 6.487 ( 3.230 1.865 -6.417) 7.422 6.868 ( -0.224 -0.129 -3.912) 3.920 7.051 ( -2.033 -1.174 1.374) 2.720 7.292 ( 5.738 3.313 1.823) 6.872 13.989 ( -0.090 -0.052 -0.741) 0.748 14.203 ( 6.346 3.664 -4.065) 8.380 14.332 ( -4.655 -2.688 3.549) 6.441 14.489 ( -0.103 -0.060 0.109) 0.162 15.224 ( -6.663 -3.847 -4.455) 8.891 17.409 ( -0.921 -0.532 -0.080) 1.067 ======================= Grid point 367 (73/100) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 4.651 2.685 6.388) 8.346 1.290 ( -2.268 -1.309 -1.590) 3.064 1.495 ( -7.960 -4.596 -5.055) 10.490 1.521 ( -3.142 -1.814 1.565) 3.951 1.616 ( 4.869 2.811 8.264) 9.995 1.925 ( 3.198 1.847 4.578) 5.882 2.094 ( 0.326 0.188 3.292) 3.313 2.100 ( -1.728 -0.998 0.406) 2.037 2.185 ( -0.626 -0.362 -4.418) 4.477 2.232 ( 5.600 3.233 -2.037) 6.780 2.388 ( 2.989 1.726 1.787) 3.887 2.584 ( 5.461 3.153 2.787) 6.894 3.194 ( -2.303 -1.330 -9.245) 9.620 3.436 ( 1.503 0.868 -9.450) 9.608 4.537 ( 3.451 1.992 -1.933) 4.429 5.946 ( -1.221 -0.705 15.932) 15.995 6.008 ( 1.812 1.046 0.912) 2.282 6.562 ( 2.491 1.438 -12.159) 12.495 6.875 ( 0.754 0.435 -1.377) 1.629 6.999 ( -2.229 -1.287 1.416) 2.937 7.415 ( 4.494 2.595 2.230) 5.648 13.990 ( 0.221 0.127 -0.791) 0.831 14.201 ( -4.251 -2.455 3.368) 5.954 14.376 ( 6.047 3.491 -3.734) 7.918 14.483 ( -0.377 -0.218 0.145) 0.459 15.066 ( -6.323 -3.650 -5.295) 9.019 17.387 ( -0.815 -0.471 -0.219) 0.966 ======================= Grid point 368 (74/100) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -3.128 -1.806 -0.669) 3.673 1.283 ( 3.472 2.005 -0.153) 4.012 1.327 ( -3.213 -1.855 -0.699) 3.775 1.445 ( -3.159 -1.824 0.950) 3.770 1.743 ( 5.498 3.174 8.419) 10.544 1.987 ( 2.131 1.230 1.522) 2.893 2.083 ( 0.069 0.040 1.692) 1.694 2.096 ( -0.328 -0.189 3.032) 3.056 2.158 ( -1.515 -0.874 -5.333) 5.612 2.315 ( 0.860 0.497 -0.694) 1.212 2.436 ( 1.355 0.782 2.198) 2.699 2.682 ( 2.277 1.315 3.508) 4.384 3.153 ( -0.836 -0.483 -10.235) 10.281 3.457 ( 0.298 0.172 -9.209) 9.215 4.596 ( 1.401 0.809 -2.069) 2.627 5.927 ( -0.171 -0.099 16.948) 16.949 6.043 ( 0.996 0.575 0.735) 1.365 6.588 ( -0.357 -0.206 -12.804) 12.810 6.895 ( 0.764 0.441 -0.609) 1.072 6.957 ( -1.175 -0.678 1.622) 2.115 7.493 ( 2.003 1.157 2.204) 3.195 13.998 ( 0.381 0.220 -1.103) 1.188 14.127 ( -1.674 -0.967 4.385) 4.793 14.473 ( -0.421 -0.243 0.432) 0.650 14.483 ( 2.325 1.342 -4.171) 4.960 14.955 ( -2.471 -1.426 -6.325) 6.939 17.374 ( -0.312 -0.180 -0.321) 0.483 ======================= Grid point 369 (75/100) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -2.479 -1.431 2.344) 3.700 1.198 ( -3.111 -1.796 2.629) 4.452 1.378 ( -1.091 -0.630 -1.609) 2.044 1.469 ( 6.358 3.671 -0.086) 7.342 1.857 ( 3.853 2.225 6.568) 7.933 2.026 ( 0.981 0.567 -0.182) 1.148 2.066 ( -2.117 -1.222 -1.320) 2.778 2.093 ( 0.803 0.463 0.517) 1.061 2.130 ( -0.725 -0.419 -1.704) 1.898 2.268 ( -4.473 -2.582 1.958) 5.523 2.448 ( -0.613 -0.354 1.568) 1.721 2.674 ( -2.770 -1.599 3.509) 4.747 3.168 ( 1.974 1.140 -10.541) 10.785 3.449 ( -0.967 -0.558 -8.892) 8.962 4.597 ( -1.328 -0.767 -2.120) 2.616 5.941 ( 1.337 0.772 17.136) 17.205 6.049 ( -0.554 -0.320 0.495) 0.809 6.548 ( -2.950 -1.703 -11.259) 11.763 6.906 ( 0.112 0.065 -1.534) 1.540 6.951 ( 0.700 0.404 1.887) 2.053 7.503 ( -1.220 -0.704 1.691) 2.201 14.006 ( 0.307 0.177 -1.521) 1.562 14.128 ( 1.694 0.978 4.171) 4.607 14.465 ( -0.209 -0.121 0.820) 0.855 14.468 ( -3.169 -1.830 -3.093) 4.791 14.968 ( 3.293 1.901 -7.199) 8.142 17.374 ( 0.344 0.199 -0.335) 0.520 ======================= Grid point 370 (76/100) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -1.390 -0.803 5.842) 6.059 1.169 ( 0.525 0.303 9.591) 9.611 1.382 ( 1.619 0.935 -3.643) 4.095 1.601 ( 4.373 2.525 -1.773) 5.352 1.898 ( -0.962 -0.555 0.345) 1.163 2.027 ( -0.667 -0.385 -0.299) 0.827 2.032 ( 0.100 0.058 -0.456) 0.470 2.090 ( -4.641 -2.679 3.406) 6.350 2.116 ( -0.559 -0.323 0.924) 1.127 2.161 ( -0.706 -0.408 -1.368) 1.593 2.402 ( -3.240 -1.871 1.271) 3.952 2.573 ( -5.391 -3.113 2.913) 6.873 3.227 ( 2.658 1.535 -10.162) 10.616 3.414 ( -1.928 -1.113 -8.636) 8.918 4.539 ( -3.447 -1.990 -2.036) 4.471 5.981 ( 1.715 0.990 16.573) 16.691 6.022 ( -1.595 -0.921 0.318) 1.869 6.463 ( -3.775 -2.179 -9.103) 10.093 6.903 ( -0.230 -0.133 -3.287) 3.298 6.985 ( 2.025 1.169 2.051) 3.110 7.437 ( -4.318 -2.493 1.097) 5.105 14.011 ( 0.125 0.072 -1.830) 1.836 14.189 ( 2.544 1.469 2.630) 3.943 14.371 ( -3.971 -2.293 -1.836) 4.940 14.464 ( 0.061 0.035 1.111) 1.113 15.082 ( 5.929 3.423 -6.465) 9.417 17.388 ( 0.821 0.474 -0.252) 0.981 ======================= Grid point 371 (77/100) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.241 -0.139 8.961) 8.965 1.201 ( 1.502 0.867 14.148) 14.254 1.448 ( 3.851 2.223 -4.765) 6.518 1.659 ( 0.291 0.168 -1.969) 1.997 1.833 ( -3.729 -2.153 -5.099) 6.674 1.923 ( -6.791 -3.921 7.345) 10.744 2.027 ( 0.983 0.568 -0.966) 1.491 2.062 ( 1.862 1.075 1.602) 2.681 2.103 ( -0.575 -0.332 1.864) 1.979 2.188 ( 0.615 0.355 -2.741) 2.832 2.311 ( -3.832 -2.212 -0.530) 4.456 2.441 ( -5.575 -3.219 2.800) 7.020 3.280 ( 1.790 1.033 -10.036) 10.247 3.364 ( -2.205 -1.273 -8.669) 9.035 4.449 ( -3.920 -2.263 -1.849) 4.890 5.982 ( -1.638 -0.946 0.272) 1.911 5.998 ( -0.669 -0.386 11.854) 11.879 6.402 ( -0.809 -0.467 -3.774) 3.888 6.897 ( -0.276 -0.159 -5.184) 5.194 7.036 ( 2.149 1.241 2.052) 3.220 7.311 ( -6.145 -3.548 0.919) 7.155 14.012 ( -0.046 -0.027 -1.901) 1.902 14.159 ( -4.778 -2.759 -1.432) 5.700 14.369 ( 3.421 1.975 1.408) 4.193 14.467 ( 0.228 0.131 1.186) 1.215 15.229 ( 6.304 3.639 -4.924) 8.788 17.409 ( 0.899 0.519 -0.108) 1.044 ======================= Grid point 372 (78/100) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.098 0.634 11.005) 11.078 1.204 ( -1.665 -0.961 13.094) 13.235 1.553 ( 4.880 2.818 -4.596) 7.272 1.627 ( -1.786 -1.031 2.528) 3.263 1.743 ( -3.788 -2.187 -6.404) 7.755 1.807 ( -3.169 -1.829 8.878) 9.603 2.087 ( 3.323 1.918 -2.195) 4.420 2.090 ( -0.198 -0.114 2.187) 2.199 2.112 ( 2.096 1.210 0.683) 2.515 2.149 ( -2.845 -1.643 0.994) 3.432 2.254 ( -1.600 -0.924 -5.224) 5.541 2.324 ( -4.119 -2.378 3.075) 5.663 3.308 ( 0.573 0.331 -9.931) 9.953 3.320 ( -1.364 -0.787 -9.094) 9.230 4.370 ( -2.531 -1.462 -1.671) 3.367 5.950 ( -1.064 -0.614 0.370) 1.283 5.958 ( -2.006 -1.158 3.922) 4.555 6.421 ( 1.655 0.956 4.046) 4.474 6.893 ( 0.012 0.007 -6.708) 6.708 7.079 ( 1.394 0.805 1.915) 2.502 7.170 ( -5.226 -3.017 1.246) 6.162 14.009 ( -0.215 -0.124 -1.721) 1.739 14.047 ( -3.887 -2.244 -1.443) 4.715 14.451 ( 2.761 1.594 0.900) 3.313 14.474 ( 0.310 0.179 1.031) 1.092 15.359 ( 4.261 2.460 -3.727) 6.173 17.427 ( 0.574 0.331 0.023) 0.663 ======================= Grid point 374 (79/100) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -0.288 0.004 10.988) 10.991 1.255 ( 3.832 0.349 10.682) 11.354 1.499 ( 0.413 -5.259 -3.226) 6.183 1.621 ( -2.776 1.331 0.790) 3.178 1.761 ( -3.689 2.207 -5.896) 7.297 1.860 ( 0.475 4.870 7.775) 9.186 2.039 ( 1.473 -0.030 -0.371) 1.519 2.099 ( 0.786 0.730 1.566) 1.898 2.128 ( 1.679 -2.068 0.168) 2.669 2.190 ( 0.741 0.425 -2.729) 2.860 2.272 ( 0.656 3.346 -0.909) 3.529 2.411 ( 3.464 5.485 2.744) 7.044 3.277 ( -1.881 -0.536 -9.339) 9.541 3.363 ( 2.052 1.251 -9.374) 9.677 4.424 ( 2.109 3.735 -1.772) 4.641 5.968 ( 0.406 1.662 1.515) 2.285 5.980 ( -0.283 1.454 8.799) 8.922 6.433 ( 3.117 -0.451 -2.566) 4.063 6.871 ( -1.763 -1.019 -4.885) 5.293 7.075 ( 0.535 -0.292 1.276) 1.414 7.257 ( 2.538 5.852 1.381) 6.526 14.002 ( -0.727 0.682 -1.213) 1.570 14.144 ( 4.503 4.798 -2.705) 7.114 14.372 ( -3.772 -4.115 2.355) 6.059 14.484 ( 0.835 -0.133 0.495) 0.979 15.267 ( -3.671 -6.073 -4.368) 8.333 17.414 ( -0.524 -0.862 -0.056) 1.011 ======================= Grid point 375 (80/100) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 2.717 2.337 8.022) 8.786 1.306 ( 0.485 -0.218 1.913) 1.985 1.482 ( 3.902 -4.893 2.583) 6.770 1.568 ( -3.099 -0.542 2.378) 3.944 1.645 ( -8.245 0.001 -4.516) 9.401 1.936 ( 0.807 6.310 5.662) 8.517 2.091 ( 0.644 -2.843 1.396) 3.232 2.102 ( 0.042 0.072 1.011) 1.014 2.164 ( 4.434 3.238 -1.418) 5.671 2.197 ( 0.283 1.033 -3.709) 3.860 2.342 ( 3.143 1.609 1.423) 3.807 2.539 ( 4.421 5.248 2.728) 7.385 3.235 ( -2.485 -0.001 -9.169) 9.500 3.408 ( 2.019 0.363 -9.363) 9.585 4.508 ( 2.871 3.528 -1.919) 4.936 5.958 ( -1.241 -0.927 14.787) 14.868 6.014 ( 0.760 3.654 1.079) 3.885 6.508 ( 4.573 0.445 -9.505) 10.557 6.817 ( -0.907 -4.740 -2.277) 5.336 7.088 ( -1.496 4.272 0.644) 4.572 7.364 ( 3.890 3.368 1.929) 5.496 14.002 ( -0.412 1.287 -0.918) 1.634 14.248 ( -3.854 -2.164 1.451) 4.652 14.279 ( 4.994 -0.219 -1.295) 5.164 14.504 ( 0.630 2.177 -0.216) 2.276 15.123 ( -5.299 -5.702 -5.127) 9.321 17.394 ( -0.704 -0.857 -0.177) 1.123 ======================= Grid point 376 (81/100) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 5.222 3.886 3.044) 7.186 1.272 ( -2.784 -0.045 -0.753) 2.884 1.424 ( -6.479 -1.817 -2.614) 7.219 1.504 ( -5.705 -0.082 0.888) 5.775 1.618 ( 7.632 -2.051 6.695) 10.357 1.979 ( 0.035 -0.409 2.135) 2.174 2.062 ( 0.395 0.137 0.829) 0.929 2.127 ( -0.675 3.086 3.313) 4.577 2.197 ( -0.897 1.572 -3.135) 3.620 2.284 ( 3.885 1.824 -1.437) 4.526 2.394 ( 2.457 -1.236 1.966) 3.380 2.654 ( 3.164 3.215 3.227) 5.546 3.195 ( -2.655 1.594 -9.607) 10.094 3.437 ( 1.465 -0.812 -9.267) 9.417 4.583 ( 1.880 2.384 -2.073) 3.676 5.928 ( -0.731 -0.957 16.819) 16.862 6.066 ( 0.015 4.644 0.777) 4.708 6.577 ( 2.292 0.318 -12.687) 12.896 6.753 ( 1.935 -8.873 -0.008) 9.082 7.105 ( -3.666 7.656 0.723) 8.519 7.451 ( 3.449 0.757 2.242) 4.182 14.012 ( -0.424 2.015 -0.997) 2.288 14.148 ( -2.883 -2.668 4.309) 5.831 14.351 ( 4.271 -4.146 -2.344) 6.397 14.559 ( 0.465 6.004 -1.968) 6.336 14.984 ( -4.062 -4.265 -5.689) 8.189 17.376 ( -0.424 -0.635 -0.294) 0.818 ======================= Grid point 377 (82/100) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -2.836 1.833 1.441) 3.672 1.276 ( -7.009 0.387 -1.314) 7.142 1.376 ( 3.065 2.443 0.337) 3.933 1.422 ( -0.809 0.142 1.268) 1.511 1.748 ( 8.302 -1.508 5.047) 9.832 1.958 ( 2.090 -6.192 -0.113) 6.536 2.076 ( -1.124 2.313 0.313) 2.591 2.140 ( -1.791 3.933 2.287) 4.890 2.195 ( -2.009 3.076 -1.797) 4.090 2.305 ( -1.939 -1.431 0.728) 2.518 2.416 ( 2.269 -2.565 1.493) 3.736 2.698 ( -0.472 0.321 3.684) 3.728 3.185 ( -1.218 3.327 -10.211) 10.808 3.442 ( 0.541 -1.656 -9.041) 9.207 4.613 ( -0.425 0.812 -2.169) 2.355 5.921 ( 0.762 -0.470 17.048) 17.071 6.097 ( -2.062 4.488 0.734) 4.993 6.575 ( -1.973 -1.302 -11.711) 11.948 6.732 ( 6.233 -8.715 -0.518) 10.727 7.109 ( -5.051 8.222 1.015) 9.703 7.492 ( 1.295 -1.342 1.986) 2.725 14.024 ( -0.850 2.268 -1.385) 2.790 14.107 ( 0.554 -0.915 4.529) 4.654 14.359 ( 2.957 -5.982 -1.285) 6.796 14.597 ( -3.663 5.093 -2.237) 6.660 14.927 ( 1.554 -1.365 -6.569) 6.887 17.369 ( 0.178 -0.278 -0.348) 0.480 ======================= Grid point 379 (83/100) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -5.425 0.557 3.019) 6.233 1.212 ( -1.983 4.681 6.343) 8.129 1.365 ( 0.325 -0.579 -2.236) 2.333 1.526 ( 5.598 1.396 0.253) 5.775 1.842 ( 3.702 -4.534 -0.787) 5.906 1.952 ( 4.529 -3.154 1.256) 5.661 2.068 ( -1.906 1.618 0.295) 2.517 2.143 ( -2.615 2.564 0.853) 3.761 2.177 ( -2.886 1.396 -0.156) 3.210 2.216 ( -5.123 -0.623 1.244) 5.309 2.405 ( -0.221 -3.305 1.333) 3.571 2.647 ( -4.626 -0.871 3.265) 5.729 3.215 ( 0.759 2.835 -10.132) 10.548 3.424 ( -0.579 -1.638 -8.774) 8.945 4.584 ( -2.955 -0.463 -2.136) 3.676 5.943 ( 2.039 -0.380 16.481) 16.611 6.081 ( -3.668 2.634 1.122) 4.653 6.508 ( -3.151 -1.740 -9.732) 10.376 6.777 ( 6.480 -5.553 -2.091) 8.786 7.096 ( -4.940 6.835 1.020) 8.495 7.466 ( -1.846 -2.691 1.469) 3.578 14.025 ( -1.038 1.283 -1.629) 2.319 14.147 ( 3.526 1.049 3.957) 5.403 14.339 ( 1.197 -5.503 -1.333) 5.787 14.546 ( -5.551 2.899 -1.039) 6.348 14.999 ( 5.871 1.002 -6.697) 8.962 17.376 ( 0.786 0.038 -0.312) 0.846 ======================= Grid point 380 (84/100) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -2.243 0.008 7.587) 7.912 1.238 ( -1.284 5.299 10.253) 11.613 1.404 ( 3.305 1.627 -3.654) 5.189 1.612 ( 3.800 -1.270 -0.491) 4.036 1.802 ( 1.132 -7.600 -4.387) 8.848 2.005 ( -6.346 -3.844 4.813) 8.844 2.033 ( 2.009 2.668 2.639) 4.256 2.070 ( -1.890 1.902 0.183) 2.687 2.151 ( -3.142 0.733 0.323) 3.243 2.178 ( -0.189 1.944 -3.359) 3.885 2.347 ( -2.729 -2.453 1.121) 3.837 2.534 ( -6.785 -0.728 2.799) 7.376 3.256 ( 1.546 0.574 -9.806) 9.944 3.393 ( -1.634 -0.462 -8.794) 8.957 4.509 ( -4.488 -0.810 -1.972) 4.969 5.972 ( 1.531 -0.801 13.290) 13.402 6.031 ( -3.346 0.111 2.568) 4.220 6.447 ( -3.095 1.249 -7.840) 8.521 6.834 ( 4.645 -2.922 -3.090) 6.298 7.080 ( -3.023 3.958 0.902) 5.061 7.378 ( -4.814 -2.735 1.202) 5.666 14.016 ( -0.666 -0.077 -1.572) 1.709 14.216 ( -0.441 1.714 0.401) 1.815 14.302 ( 2.155 -3.151 0.374) 3.836 14.494 ( -2.456 1.423 0.291) 2.853 15.130 ( 7.384 1.123 -5.643) 9.361 17.395 ( 1.099 0.139 -0.196) 1.125 ======================= Grid point 385 (85/100) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 3.984 4.268 4.029) 7.093 1.303 ( 0.696 0.330 1.363) 1.565 1.397 ( 5.129 -2.961 2.763) 6.535 1.526 ( -2.626 -3.222 2.317) 4.759 1.679 ( -9.410 2.707 -3.827) 10.513 1.954 ( -2.015 -6.911 0.324) 7.206 2.088 ( 1.253 4.960 3.172) 6.020 2.144 ( 2.179 3.301 2.263) 4.557 2.201 ( 2.320 1.058 -1.385) 2.901 2.248 ( 2.672 2.817 -1.145) 4.048 2.356 ( -0.228 -0.059 1.569) 1.586 2.640 ( 2.665 4.247 3.175) 5.934 3.245 ( -0.420 0.826 -9.597) 9.641 3.407 ( 0.428 -0.397 -9.010) 9.029 4.579 ( 1.777 3.155 -2.128) 4.200 5.934 ( -1.226 -1.322 16.625) 16.722 6.108 ( 2.076 5.209 0.959) 5.689 6.513 ( 3.255 0.060 -9.157) 9.719 6.708 ( -4.452 -5.430 -3.119) 7.684 7.182 ( 3.074 4.391 0.893) 5.434 7.421 ( 0.467 2.099 1.812) 2.812 14.036 ( 0.534 1.953 -1.176) 2.342 14.167 ( -2.343 -4.165 4.533) 6.586 14.274 ( -0.083 -1.046 -2.565) 2.771 14.580 ( 3.305 4.861 -1.671) 6.111 15.005 ( -3.843 -5.753 -5.811) 9.035 17.376 ( -0.490 -0.816 -0.290) 0.995 ======================= Grid point 386 (86/100) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.274 1.553 -0.355) 1.616 1.322 ( 2.336 3.627 3.439) 5.517 1.412 ( -2.977 -0.056 -0.514) 3.021 1.515 ( -5.379 1.132 1.650) 5.739 1.578 ( 5.277 -0.428 1.180) 5.424 1.854 ( 0.368 -9.041 -0.637) 9.071 2.142 ( -1.256 5.128 1.784) 5.573 2.202 ( 0.470 3.255 2.173) 3.942 2.239 ( -0.211 2.522 -0.669) 2.618 2.304 ( 1.140 -0.016 -0.263) 1.170 2.342 ( 1.336 -3.554 1.533) 4.094 2.702 ( 0.882 1.419 3.632) 3.998 3.255 ( -1.456 3.873 -9.563) 10.419 3.402 ( 0.991 -2.569 -9.117) 9.524 4.626 ( 0.527 1.603 -2.259) 2.819 5.910 ( -0.227 -0.774 17.323) 17.342 6.193 ( -0.686 7.646 0.651) 7.704 6.549 ( 3.820 -7.723 -1.516) 8.748 6.593 ( -2.001 -1.809 -10.963) 11.290 7.255 ( -1.810 6.770 1.216) 7.112 7.441 ( 1.823 -1.907 2.049) 3.341 14.068 ( -0.024 2.940 -0.337) 2.960 14.101 ( -1.638 -1.287 3.824) 4.354 14.255 ( 1.769 -4.941 -1.881) 5.575 14.682 ( 0.866 5.857 -3.156) 6.710 14.895 ( -1.731 -4.574 -5.511) 7.369 17.364 ( -0.114 -0.477 -0.356) 0.606 ======================= Grid point 387 (87/100) ======================= q-point: (-0.56 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -3.125 1.345 1.906) 3.900 1.325 ( -3.270 1.994 1.205) 4.015 1.395 ( -5.602 2.855 0.167) 6.290 1.450 ( 3.821 0.953 2.979) 4.938 1.709 ( 5.541 -4.251 -1.980) 7.259 1.816 ( 6.102 -4.160 0.424) 7.397 2.145 ( -3.365 3.523 1.418) 5.074 2.215 ( -1.804 1.755 0.527) 2.572 2.234 ( -3.483 -0.044 1.454) 3.775 2.281 ( -1.400 0.725 0.412) 1.630 2.350 ( 2.384 -3.222 0.899) 4.107 2.700 ( -1.807 0.032 3.638) 4.062 3.260 ( -2.142 2.993 -9.708) 10.382 3.398 ( 1.394 -2.029 -8.975) 9.306 4.626 ( -1.625 0.329 -2.271) 2.812 5.912 ( 1.031 -0.335 17.258) 17.292 6.200 ( -5.773 4.247 0.752) 7.207 6.513 ( 1.527 -3.660 -3.978) 5.617 6.618 ( 4.794 -2.211 -8.417) 9.936 7.251 ( -5.268 5.042 1.407) 7.427 7.445 ( 1.150 -2.679 1.808) 3.430 14.072 ( -2.303 1.226 -0.520) 2.661 14.100 ( 2.044 0.893 3.753) 4.366 14.252 ( 3.055 -3.854 -1.631) 5.181 14.677 ( -5.858 2.466 -2.807) 6.948 14.900 ( 5.197 -1.086 -5.866) 7.912 17.364 ( 0.481 -0.146 -0.359) 0.617 ======================= Grid point 395 (88/100) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.000 -0.000 1.002) 1.002 1.382 ( -1.266 -2.532 2.705) 3.916 1.382 ( 1.266 2.532 2.705) 3.916 1.580 ( -2.409 -4.819 -1.247) 5.530 1.580 ( 2.409 4.819 -1.247) 5.530 1.702 ( -0.000 0.000 0.084) 0.084 2.232 ( -0.000 0.000 0.613) 0.613 2.247 ( -1.974 -3.948 1.792) 4.763 2.247 ( 1.974 3.948 1.792) 4.763 2.292 ( -0.921 -1.842 0.299) 2.081 2.292 ( 0.921 1.842 0.299) 2.081 2.715 ( -0.000 -0.000 3.750) 3.750 3.336 ( -1.695 -3.391 -9.244) 9.991 3.336 ( 1.695 3.391 -9.244) 9.991 4.643 ( -0.000 -0.000 -2.341) 2.341 5.901 ( -0.000 -0.000 17.486) 17.486 6.365 ( -3.998 -7.996 0.686) 8.966 6.365 ( 3.998 7.996 0.686) 8.966 6.587 ( -0.000 -0.000 -13.249) 13.249 7.373 ( -2.131 -4.263 1.743) 5.075 7.373 ( 2.131 4.263 1.743) 5.075 14.073 ( -0.000 -0.000 5.115) 5.115 14.158 ( -1.997 -3.995 -1.729) 4.790 14.158 ( 1.997 3.995 -1.729) 4.790 14.795 ( -2.387 -4.775 -4.435) 6.940 14.795 ( 2.387 4.775 -4.435) 6.940 17.359 ( -0.000 -0.000 -0.378) 0.378 ======================= Grid point 455 (89/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 -0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 -0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 -0.000 0.000) 0.000 2.072 ( -0.000 -0.000 -0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 -0.000 0.000) 0.000 2.304 ( 0.000 -0.000 0.000) 0.000 3.202 ( -0.000 -0.000 0.000) 0.000 3.202 ( -0.000 0.000 0.000) 0.000 4.322 ( -0.000 0.000 0.000) 0.000 5.940 ( 0.000 -0.000 0.000) 0.000 5.940 ( -0.000 -0.000 0.000) 0.000 6.543 ( -0.000 -0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 -0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 -0.000 0.000) 0.000 14.488 ( 0.000 -0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 15.377 ( 0.000 -0.000 0.000) 0.000 17.435 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 457 (90/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -0.865 -0.499 -5.328) 5.421 1.303 ( 0.452 0.261 6.421) 6.442 1.552 ( -1.373 -0.793 -7.838) 7.996 1.600 ( 2.600 1.501 6.323) 6.999 1.642 ( -0.591 -0.341 0.449) 0.817 1.962 ( 1.396 0.806 0.784) 1.793 2.007 ( -3.256 -1.880 -0.048) 3.760 2.122 ( -0.132 -0.076 0.188) 0.242 2.135 ( -0.423 -0.244 -1.844) 1.907 2.164 ( 0.221 0.128 0.148) 0.295 2.188 ( 4.725 2.728 0.803) 5.514 2.356 ( 3.947 2.279 -0.069) 4.558 3.192 ( -0.883 -0.510 0.617) 1.192 3.226 ( 1.827 1.055 -0.573) 2.186 4.352 ( 2.465 1.423 0.006) 2.846 5.951 ( 0.898 0.518 0.256) 1.068 5.997 ( 4.563 2.634 -0.070) 5.269 6.485 ( -4.343 -2.508 -0.541) 5.044 6.806 ( 0.855 0.493 0.322) 1.038 7.101 ( -1.218 -0.703 -0.247) 1.428 7.181 ( 4.941 2.853 0.227) 5.710 13.988 ( -0.047 -0.027 0.382) 0.386 14.036 ( 3.882 2.241 -0.428) 4.503 14.456 ( -2.663 -1.537 0.392) 3.100 14.487 ( -0.075 -0.043 -0.347) 0.358 15.320 ( -4.578 -2.643 0.006) 5.286 17.427 ( -0.620 -0.358 0.004) 0.716 ======================= Grid point 459 (91/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -1.361 -0.786 -6.566) 6.751 1.290 ( -1.088 -0.628 8.724) 8.814 1.483 ( -4.787 -2.764 -11.565) 12.818 1.621 ( -1.478 -0.854 2.000) 2.629 1.683 ( 4.349 2.511 8.764) 10.101 1.967 ( 0.484 0.279 3.941) 3.980 2.045 ( 5.051 2.916 -3.390) 6.747 2.110 ( -0.617 -0.356 -2.060) 2.180 2.137 ( 0.185 0.107 -1.099) 1.119 2.145 ( -1.410 -0.814 0.966) 1.893 2.311 ( 5.205 3.005 0.330) 6.019 2.471 ( 5.569 3.215 -0.250) 6.436 3.160 ( -1.892 -1.092 0.997) 2.401 3.277 ( 2.326 1.343 -0.768) 2.793 4.429 ( 3.816 2.203 0.030) 4.407 5.981 ( 1.603 0.926 0.395) 1.893 6.131 ( 6.204 3.582 1.669) 7.356 6.370 ( -4.924 -2.843 -3.147) 6.498 6.833 ( 1.351 0.780 0.771) 1.740 7.062 ( -2.085 -1.204 -0.395) 2.440 7.316 ( 6.009 3.469 0.456) 6.954 13.987 ( -0.013 -0.007 0.589) 0.590 14.152 ( 5.347 3.087 -0.983) 6.252 14.376 ( -3.657 -2.111 0.872) 4.312 14.484 ( -0.180 -0.104 -0.535) 0.574 15.179 ( -6.983 -4.031 0.080) 8.063 17.408 ( -0.971 -0.561 0.018) 1.121 ======================= Grid point 461 (92/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -1.266 -0.731 -4.850) 5.066 1.281 ( 0.506 0.292 5.972) 6.001 1.355 ( -5.104 -2.947 -8.319) 10.195 1.561 ( -3.590 -2.072 2.049) 4.624 1.794 ( 4.898 2.828 8.456) 10.173 1.996 ( 1.283 0.741 2.490) 2.898 2.089 ( -1.436 -0.829 -4.557) 4.849 2.105 ( -0.658 -0.380 0.323) 0.826 2.140 ( 0.127 0.073 0.127) 0.194 2.193 ( 5.782 3.338 -2.318) 7.067 2.415 ( 3.419 1.974 0.408) 3.969 2.606 ( 5.627 3.249 -0.438) 6.513 3.105 ( -2.719 -1.570 1.027) 3.303 3.326 ( 1.734 1.001 -0.608) 2.093 4.517 ( 3.380 1.951 0.046) 3.903 6.021 ( 1.707 0.985 0.354) 2.002 6.237 ( -0.292 -0.169 12.491) 12.495 6.295 ( 1.483 0.856 -13.924) 14.029 6.866 ( 1.359 0.785 0.567) 1.668 7.010 ( -2.117 -1.222 -0.370) 2.473 7.444 ( 4.562 2.634 0.533) 5.294 13.987 ( 0.050 0.029 0.526) 0.529 14.217 ( -1.400 -0.809 -0.737) 1.777 14.351 ( 3.201 1.848 0.441) 3.722 14.479 ( -0.224 -0.129 -0.478) 0.544 15.015 ( -6.597 -3.809 0.283) 7.623 17.385 ( -0.873 -0.504 0.025) 1.008 ======================= Grid point 463 (93/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.522 -0.301 -1.757) 1.857 1.248 ( -2.108 -1.217 -2.340) 3.376 1.344 ( 3.141 1.813 1.529) 3.936 1.462 ( -4.384 -2.531 0.633) 5.102 1.899 ( 3.411 1.969 5.566) 6.818 2.012 ( 0.207 0.120 0.945) 0.975 2.042 ( -2.100 -1.213 -4.324) 4.958 2.101 ( 0.169 0.098 0.150) 0.246 2.143 ( 0.106 0.061 0.192) 0.228 2.299 ( 2.644 1.526 -1.106) 3.247 2.466 ( 0.995 0.574 0.310) 1.190 2.714 ( 2.963 1.711 -0.321) 3.436 3.045 ( -1.854 -1.070 0.537) 2.207 3.355 ( 0.625 0.361 -0.229) 0.757 4.575 ( 1.338 0.772 0.023) 1.545 6.053 ( 0.775 0.447 0.143) 0.906 6.193 ( -1.285 -0.742 1.835) 2.360 6.358 ( 1.697 0.980 -2.389) 3.089 6.890 ( 0.602 0.347 0.159) 0.713 6.972 ( -0.932 -0.538 -0.154) 1.087 7.519 ( 1.686 0.974 0.241) 1.962 13.989 ( 0.036 0.021 0.211) 0.215 14.169 ( -1.429 -0.825 -0.035) 1.650 14.439 ( 2.630 1.519 -0.231) 3.046 14.475 ( -0.106 -0.061 -0.192) 0.227 14.894 ( -3.132 -1.808 0.263) 3.626 17.370 ( -0.349 -0.202 0.012) 0.404 ======================= Grid point 475 (94/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.864 -1.496 0.000) 1.728 1.305 ( -0.347 -0.601 0.000) 0.694 1.526 ( -1.025 -1.775 0.000) 2.049 1.631 ( -0.356 -0.616 0.000) 0.712 1.634 ( 0.537 0.931 -0.000) 1.075 1.978 ( 0.337 0.584 -0.000) 0.675 2.004 ( 1.947 3.372 0.000) 3.894 2.127 ( 0.085 0.147 0.000) 0.170 2.139 ( 0.343 0.595 0.000) 0.687 2.146 ( -0.931 -1.613 0.000) 1.863 2.271 ( 2.740 4.745 0.000) 5.479 2.439 ( 3.159 5.472 0.000) 6.319 3.175 ( -0.700 -1.212 0.000) 1.400 3.259 ( 1.175 2.034 0.000) 2.349 4.405 ( 2.099 3.635 0.000) 4.197 5.975 ( 1.075 1.863 0.000) 2.151 6.089 ( 3.410 5.906 0.000) 6.820 6.402 ( -2.916 -5.051 -0.000) 5.832 6.814 ( -0.008 -0.015 0.000) 0.017 7.089 ( -0.171 -0.297 0.000) 0.343 7.271 ( 3.189 5.523 0.000) 6.377 13.989 ( 0.117 0.203 0.000) 0.234 14.116 ( 2.957 5.121 0.000) 5.914 14.396 ( -2.374 -4.111 0.000) 4.747 14.488 ( 0.109 0.189 0.000) 0.218 15.222 ( -3.804 -6.589 0.000) 7.609 17.414 ( -0.537 -0.931 0.000) 1.075 ======================= Grid point 477 (95/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -0.641 -0.845 -2.613) 2.820 1.287 ( -0.514 -0.058 3.497) 3.535 1.452 ( -6.318 -0.073 -7.686) 9.950 1.597 ( -2.469 -1.306 0.808) 2.908 1.675 ( 6.068 -3.198 7.338) 10.044 2.017 ( 0.049 3.538 2.345) 4.245 2.076 ( -1.468 -2.319 -1.418) 3.089 2.111 ( 4.709 2.273 -2.405) 5.755 2.140 ( 0.138 1.542 0.199) 1.561 2.170 ( 0.368 3.085 -0.286) 3.120 2.362 ( 3.551 1.635 0.142) 3.912 2.564 ( 4.275 5.517 -0.183) 6.982 3.142 ( -2.021 -0.544 0.635) 2.187 3.301 ( 1.725 0.828 -0.442) 1.964 4.488 ( 2.849 3.417 0.024) 4.449 6.023 ( 1.202 3.192 0.154) 3.414 6.214 ( 4.003 4.200 4.707) 7.471 6.301 ( -2.783 -3.603 -5.565) 7.190 6.798 ( 0.591 -4.303 0.406) 4.362 7.093 ( -1.661 4.140 -0.230) 4.466 7.387 ( 4.424 3.210 0.342) 5.476 13.996 ( -0.062 0.930 0.349) 0.995 14.215 ( 2.226 2.496 -0.854) 3.452 14.310 ( -1.132 -4.175 0.648) 4.375 14.500 ( 0.166 1.915 -0.237) 1.937 15.072 ( -5.354 -6.105 0.112) 8.121 17.392 ( -0.733 -0.922 0.013) 1.178 ======================= Grid point 479 (96/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.434 1.296 -2.160) 2.557 1.308 ( 0.736 2.358 2.922) 3.826 1.338 ( -5.395 0.936 -5.392) 7.685 1.520 ( -4.397 -1.778 0.722) 4.797 1.761 ( 7.625 -4.778 6.449) 11.071 1.986 ( -0.259 -6.121 -1.363) 6.277 2.069 ( -1.294 4.001 0.060) 4.206 2.157 ( -1.063 3.555 -0.912) 3.821 2.176 ( -0.725 3.121 0.909) 3.331 2.254 ( 4.382 2.629 -1.732) 5.395 2.421 ( 2.885 -1.461 0.274) 3.246 2.683 ( 3.403 3.745 -0.284) 5.069 3.097 ( -3.122 1.147 0.659) 3.391 3.332 ( 1.572 -0.549 -0.365) 1.704 4.562 ( 1.853 2.274 0.029) 2.934 6.074 ( 0.063 4.271 -0.069) 4.272 6.211 ( -2.208 -1.718 4.336) 5.160 6.329 ( 3.268 1.858 -4.988) 6.246 6.756 ( 2.528 -8.583 0.386) 8.956 7.110 ( -3.497 7.747 -0.233) 8.503 7.478 ( 3.453 0.586 0.362) 3.521 14.005 ( -0.534 1.737 0.326) 1.846 14.186 ( -2.399 -2.013 -0.177) 3.136 14.326 ( 4.388 -3.755 -0.138) 5.777 14.539 ( 0.048 5.153 -0.273) 5.160 14.929 ( -4.290 -4.409 0.283) 6.158 17.373 ( -0.456 -0.680 0.015) 0.819 ======================= Grid point 481 (97/100) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -2.820 4.884 -0.000) 5.639 1.249 ( -0.730 1.265 0.000) 1.460 1.380 ( -0.413 0.716 0.000) 0.826 1.436 ( -0.554 0.960 0.000) 1.109 1.816 ( 4.234 -7.334 -0.000) 8.469 1.942 ( 3.527 -6.110 0.000) 7.055 2.078 ( -2.310 4.001 0.000) 4.619 2.168 ( -2.370 4.106 0.000) 4.741 2.184 ( -1.819 3.150 -0.000) 3.638 2.313 ( 0.115 -0.200 0.000) 0.231 2.436 ( 1.858 -3.218 0.000) 3.716 2.737 ( -0.248 0.430 0.000) 0.496 3.072 ( -1.977 3.424 0.000) 3.954 3.343 ( 0.845 -1.464 0.000) 1.690 4.591 ( -0.426 0.738 0.000) 0.853 6.099 ( -2.341 4.054 0.000) 4.681 6.180 ( 0.306 -0.529 0.000) 0.611 6.370 ( -0.117 0.202 0.000) 0.234 6.731 ( 5.465 -9.465 0.000) 10.930 7.120 ( -4.894 8.477 0.000) 9.788 7.513 ( 0.911 -1.579 0.000) 1.823 14.009 ( -1.142 1.979 0.000) 2.285 14.152 ( 0.450 -0.779 0.000) 0.899 14.345 ( 3.373 -5.842 0.000) 6.746 14.576 ( -2.894 5.012 0.000) 5.788 14.861 ( 0.787 -1.363 0.000) 1.574 17.365 ( 0.169 -0.292 0.000) 0.337 ======================= Grid point 497 (98/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.650 1.126 0.000) 1.300 1.301 ( 1.173 2.032 -0.000) 2.347 1.447 ( -1.014 -1.756 0.000) 2.027 1.583 ( -0.961 -1.665 0.000) 1.922 1.598 ( -0.786 -1.361 -0.000) 1.571 1.952 ( -3.651 -6.323 0.000) 7.301 2.125 ( 1.880 3.257 0.000) 3.761 2.169 ( 1.760 3.049 0.000) 3.520 2.187 ( 1.869 3.238 0.000) 3.739 2.242 ( 1.955 3.386 0.000) 3.910 2.376 ( -0.079 -0.136 0.000) 0.157 2.673 ( 2.699 4.675 0.000) 5.398 3.140 ( 0.203 0.351 0.000) 0.405 3.308 ( -0.052 -0.090 0.000) 0.104 4.557 ( 1.756 3.042 0.000) 3.513 6.104 ( 2.546 4.410 0.000) 5.092 6.231 ( -1.546 -2.678 0.000) 3.093 6.296 ( 2.024 3.506 -0.000) 4.049 6.684 ( -3.620 -6.269 0.000) 7.239 7.192 ( 2.786 4.826 0.000) 5.572 7.439 ( 1.085 1.879 0.000) 2.170 14.023 ( 0.976 1.691 0.000) 1.952 14.214 ( -2.283 -3.954 0.000) 4.566 14.245 ( -0.196 -0.339 0.000) 0.392 14.565 ( 2.432 4.212 0.000) 4.864 14.946 ( -3.489 -6.042 0.000) 6.977 17.373 ( -0.502 -0.869 0.000) 1.004 ======================= Grid point 499 (99/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.822 2.829 0.063) 2.946 1.370 ( 2.102 3.177 -0.600) 3.856 1.384 ( -4.802 3.210 -0.266) 5.782 1.502 ( -5.153 0.749 -1.936) 5.555 1.647 ( 6.749 -5.700 4.031) 9.710 1.830 ( -0.456 -8.489 -1.212) 8.587 2.162 ( -1.938 4.815 -0.019) 5.190 2.223 ( 1.162 2.352 -0.028) 2.624 2.244 ( -0.757 3.223 0.425) 3.338 2.296 ( 1.556 1.329 -0.631) 2.142 2.363 ( 1.258 -3.896 0.125) 4.096 2.739 ( 1.002 1.645 -0.049) 1.927 3.151 ( -1.631 3.850 0.163) 4.184 3.302 ( 1.017 -2.444 -0.110) 2.649 4.602 ( 0.522 1.515 0.005) 1.602 6.166 ( 0.275 0.720 -1.075) 1.323 6.207 ( -2.125 5.464 2.203) 6.263 6.360 ( 2.222 1.078 -1.537) 2.909 6.567 ( 0.567 -9.702 0.357) 9.726 7.266 ( -1.757 7.175 -0.099) 7.387 7.463 ( 1.821 -2.146 0.114) 2.817 14.057 ( -0.406 3.390 0.112) 3.416 14.146 ( -1.534 -1.736 -0.059) 2.318 14.235 ( 2.202 -4.822 -0.051) 5.301 14.650 ( 0.783 5.345 -0.112) 5.404 14.840 ( -1.845 -4.336 0.114) 4.714 17.360 ( -0.123 -0.502 0.003) 0.517 ======================= Grid point 517 (100/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.000 -0.000 0.000) 0.000 1.414 ( -0.016 -0.031 0.000) 0.035 1.414 ( 0.016 0.031 0.000) 0.035 1.564 ( -1.155 -2.311 0.000) 2.584 1.564 ( 1.155 2.311 0.000) 2.583 1.700 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 -0.000 0.000) 0.000 2.263 ( -1.594 -3.188 0.000) 3.564 2.263 ( 1.594 3.188 0.000) 3.564 2.302 ( -0.158 -0.317 0.000) 0.354 2.302 ( 0.158 0.317 0.000) 0.354 2.754 ( -0.000 -0.000 0.000) 0.000 3.235 ( -1.777 -3.554 0.000) 3.973 3.235 ( 1.777 3.554 0.000) 3.973 4.618 ( -0.000 -0.000 0.000) 0.000 6.160 ( -0.000 -0.000 0.000) 0.000 6.371 ( -0.000 -0.000 0.000) 0.000 6.372 ( -3.992 -7.984 0.000) 8.927 6.372 ( 3.992 7.985 0.000) 8.927 7.391 ( -2.206 -4.411 0.000) 4.932 7.391 ( 2.206 4.411 0.000) 4.932 14.125 ( 0.000 -0.000 0.000) 0.000 14.139 ( -1.932 -3.864 0.000) 4.320 14.139 ( 1.932 3.864 0.000) 4.320 14.751 ( -2.061 -4.121 0.000) 4.608 14.751 ( 2.061 4.121 0.000) 4.608 17.355 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21870 10.0 50.330 50.330 38.014 0.000 -0.000 -0.000 3/21870 20.0 10.228 10.228 7.542 0.000 -0.000 -0.000 3/21870 30.0 5.806 5.806 4.200 0.000 -0.000 -0.000 3/21870 40.0 4.111 4.111 3.043 0.000 -0.000 -0.000 3/21870 50.0 3.192 3.192 2.464 0.000 -0.000 -0.000 3/21870 60.0 2.618 2.618 2.116 0.000 -0.000 -0.000 3/21870 70.0 2.229 2.229 1.881 0.000 -0.000 -0.000 3/21870 80.0 1.949 1.949 1.707 0.000 -0.000 -0.000 3/21870 90.0 1.738 1.738 1.572 0.000 -0.000 -0.000 3/21870 100.0 1.574 1.574 1.463 0.000 -0.000 -0.000 3/21870 110.0 1.443 1.443 1.372 0.000 -0.000 -0.000 3/21870 120.0 1.335 1.335 1.295 0.000 -0.000 -0.000 3/21870 130.0 1.245 1.245 1.228 0.000 -0.000 -0.000 3/21870 140.0 1.168 1.168 1.169 0.000 -0.000 -0.000 3/21870 150.0 1.102 1.102 1.116 0.000 -0.000 -0.000 3/21870 160.0 1.044 1.044 1.068 0.000 -0.000 -0.000 3/21870 170.0 0.992 0.992 1.025 0.000 -0.000 -0.000 3/21870 180.0 0.946 0.946 0.985 0.000 -0.000 -0.000 3/21870 190.0 0.905 0.905 0.949 0.000 -0.000 -0.000 3/21870 200.0 0.867 0.867 0.915 0.000 -0.000 -0.000 3/21870 210.0 0.832 0.832 0.883 0.000 -0.000 -0.000 3/21870 220.0 0.800 0.800 0.853 0.000 -0.000 -0.000 3/21870 230.0 0.771 0.771 0.825 0.000 -0.000 -0.000 3/21870 240.0 0.743 0.743 0.799 0.000 -0.000 -0.000 3/21870 250.0 0.718 0.718 0.774 0.000 -0.000 -0.000 3/21870 260.0 0.694 0.694 0.751 0.000 -0.000 -0.000 3/21870 270.0 0.672 0.672 0.729 0.000 -0.000 -0.000 3/21870 280.0 0.651 0.651 0.708 0.000 -0.000 -0.000 3/21870 290.0 0.631 0.631 0.688 0.000 -0.000 -0.000 3/21870 300.0 0.613 0.613 0.670 0.000 -0.000 -0.000 3/21870 310.0 0.595 0.595 0.652 0.000 -0.000 -0.000 3/21870 320.0 0.579 0.579 0.635 0.000 -0.000 -0.000 3/21870 330.0 0.563 0.563 0.619 0.000 -0.000 -0.000 3/21870 340.0 0.548 0.548 0.603 0.000 -0.000 -0.000 3/21870 350.0 0.534 0.534 0.588 0.000 -0.000 -0.000 3/21870 360.0 0.520 0.520 0.574 0.000 -0.000 -0.000 3/21870 370.0 0.508 0.508 0.561 0.000 -0.000 -0.000 3/21870 380.0 0.495 0.495 0.548 0.000 -0.000 -0.000 3/21870 390.0 0.484 0.484 0.536 0.000 -0.000 -0.000 3/21870 400.0 0.473 0.473 0.524 0.000 -0.000 -0.000 3/21870 410.0 0.462 0.462 0.513 0.000 -0.000 -0.000 3/21870 420.0 0.452 0.452 0.502 0.000 -0.000 -0.000 3/21870 430.0 0.442 0.442 0.491 0.000 -0.000 -0.000 3/21870 440.0 0.433 0.433 0.481 0.000 -0.000 -0.000 3/21870 450.0 0.424 0.424 0.471 0.000 -0.000 -0.000 3/21870 460.0 0.415 0.415 0.462 0.000 -0.000 -0.000 3/21870 470.0 0.407 0.407 0.453 0.000 -0.000 -0.000 3/21870 480.0 0.399 0.399 0.445 0.000 -0.000 -0.000 3/21870 490.0 0.391 0.391 0.436 0.000 -0.000 -0.000 3/21870 500.0 0.384 0.384 0.428 0.000 -0.000 -0.000 3/21870 510.0 0.377 0.377 0.421 0.000 -0.000 -0.000 3/21870 520.0 0.370 0.370 0.413 0.000 -0.000 -0.000 3/21870 530.0 0.363 0.363 0.406 0.000 -0.000 -0.000 3/21870 540.0 0.357 0.357 0.399 0.000 -0.000 -0.000 3/21870 550.0 0.351 0.351 0.392 0.000 -0.000 -0.000 3/21870 560.0 0.345 0.345 0.385 0.000 -0.000 -0.000 3/21870 570.0 0.339 0.339 0.379 0.000 -0.000 -0.000 3/21870 580.0 0.333 0.333 0.373 0.000 -0.000 -0.000 3/21870 590.0 0.328 0.328 0.367 0.000 -0.000 -0.000 3/21870 600.0 0.323 0.323 0.361 0.000 -0.000 -0.000 3/21870 610.0 0.317 0.317 0.356 0.000 -0.000 -0.000 3/21870 620.0 0.313 0.313 0.350 0.000 -0.000 -0.000 3/21870 630.0 0.308 0.308 0.345 0.000 -0.000 -0.000 3/21870 640.0 0.303 0.303 0.340 0.000 -0.000 -0.000 3/21870 650.0 0.299 0.299 0.335 0.000 -0.000 -0.000 3/21870 660.0 0.294 0.294 0.330 0.000 -0.000 -0.000 3/21870 670.0 0.290 0.290 0.325 0.000 -0.000 -0.000 3/21870 680.0 0.286 0.286 0.321 0.000 -0.000 -0.000 3/21870 690.0 0.282 0.282 0.316 0.000 -0.000 -0.000 3/21870 700.0 0.278 0.278 0.312 0.000 -0.000 -0.000 3/21870 710.0 0.274 0.274 0.308 0.000 -0.000 -0.000 3/21870 720.0 0.270 0.270 0.304 0.000 -0.000 -0.000 3/21870 730.0 0.267 0.267 0.300 0.000 -0.000 -0.000 3/21870 740.0 0.263 0.263 0.296 0.000 -0.000 -0.000 3/21870 750.0 0.260 0.260 0.292 0.000 -0.000 -0.000 3/21870 760.0 0.257 0.257 0.288 0.000 -0.000 -0.000 3/21870 770.0 0.253 0.253 0.285 0.000 -0.000 -0.000 3/21870 780.0 0.250 0.250 0.281 0.000 -0.000 -0.000 3/21870 790.0 0.247 0.247 0.278 0.000 -0.000 -0.000 3/21870 800.0 0.244 0.244 0.274 0.000 -0.000 -0.000 3/21870 810.0 0.241 0.241 0.271 0.000 -0.000 -0.000 3/21870 820.0 0.238 0.238 0.268 0.000 -0.000 -0.000 3/21870 830.0 0.235 0.235 0.265 0.000 -0.000 -0.000 3/21870 840.0 0.233 0.233 0.262 0.000 -0.000 -0.000 3/21870 850.0 0.230 0.230 0.259 0.000 -0.000 -0.000 3/21870 860.0 0.227 0.227 0.256 0.000 -0.000 -0.000 3/21870 870.0 0.225 0.225 0.253 0.000 -0.000 -0.000 3/21870 880.0 0.222 0.222 0.250 0.000 -0.000 -0.000 3/21870 890.0 0.220 0.220 0.248 0.000 -0.000 -0.000 3/21870 900.0 0.218 0.218 0.245 0.000 -0.000 -0.000 3/21870 910.0 0.215 0.215 0.242 0.000 -0.000 -0.000 3/21870 920.0 0.213 0.213 0.240 0.000 -0.000 -0.000 3/21870 930.0 0.211 0.211 0.237 0.000 -0.000 -0.000 3/21870 940.0 0.208 0.208 0.235 0.000 -0.000 -0.000 3/21870 950.0 0.206 0.206 0.232 0.000 -0.000 -0.000 3/21870 960.0 0.204 0.204 0.230 0.000 -0.000 -0.000 3/21870 970.0 0.202 0.202 0.228 0.000 -0.000 -0.000 3/21870 980.0 0.200 0.200 0.225 0.000 -0.000 -0.000 3/21870 990.0 0.198 0.198 0.223 0.000 -0.000 -0.000 3/21870 1000.0 0.196 0.196 0.221 0.000 -0.000 -0.000 3/21870 Thermal conductivity related properties were written into "kappa-m9910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:22:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|