----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:21:18]------------------------- Compiled with OpenMP support (max 48 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 6.104946966681570 0.000000000000000 0.000000000000000 b -3.052473483340785 5.287039161902991 0.000000000000000 c 0.000000000000000 0.000000000000000 4.800729179999999 Atomic positions (fractional): *1 F 0.84248863055807 0.68497726111614 0.22840556412112 18.998 2 F 0.84248863055807 0.15751136944193 0.22840556412112 18.998 3 F 0.31502273888386 0.15751136944193 0.22840556412112 18.998 4 F 0.15751136944193 0.31502273888386 0.77159443587888 18.998 5 F 0.15751136944193 0.84248863055807 0.77159443587888 18.998 6 F 0.68497726111614 0.84248863055807 0.77159443587888 18.998 *7 Rb 0.33333333333333 0.66666666666667 0.30449493861652 85.468 8 Rb 0.66666666666667 0.33333333333333 0.69550506138348 85.468 *9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.104946966681570 0.000000000000000 0.000000000000000 b -3.052473483340785 5.287039161902991 0.000000000000000 c 0.000000000000000 0.000000000000000 4.800729179999999 Atomic positions (fractional): *1 F 0.84248863055807 0.68497726111614 0.22840556412112 18.998 > 1 2 F 0.84248863055807 0.15751136944193 0.22840556412112 18.998 > 2 3 F 0.31502273888386 0.15751136944193 0.22840556412112 18.998 > 3 4 F 0.15751136944193 0.31502273888386 0.77159443587888 18.998 > 4 5 F 0.15751136944193 0.84248863055807 0.77159443587888 18.998 > 5 6 F 0.68497726111614 0.84248863055807 0.77159443587888 18.998 > 6 *7 Rb 0.33333333333333 0.66666666666667 0.30449493861652 85.468 > 7 8 Rb 0.66666666666667 0.33333333333333 0.69550506138348 85.468 > 8 *9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.209893933363141 0.000000000000000 0.000000000000000 b -6.104946966681570 10.574078323805981 0.000000000000000 c 0.000000000000000 0.000000000000000 14.402187539999998 Atomic positions (fractional): *1 F 0.42124431527904 0.34248863055807 0.07613518804037 18.998 > 1 2 F 0.92124431527904 0.34248863055807 0.07613518804037 18.998 > 1 3 F 0.42124431527904 0.84248863055807 0.07613518804037 18.998 > 1 4 F 0.92124431527904 0.84248863055807 0.07613518804037 18.998 > 1 5 F 0.42124431527904 0.34248863055807 0.40946852137371 18.998 > 1 6 F 0.92124431527904 0.34248863055807 0.40946852137371 18.998 > 1 7 F 0.42124431527904 0.84248863055807 0.40946852137371 18.998 > 1 8 F 0.92124431527904 0.84248863055807 0.40946852137371 18.998 > 1 9 F 0.42124431527904 0.34248863055807 0.74280185470704 18.998 > 1 10 F 0.92124431527904 0.34248863055807 0.74280185470704 18.998 > 1 11 F 0.42124431527904 0.84248863055807 0.74280185470704 18.998 > 1 12 F 0.92124431527904 0.84248863055807 0.74280185470704 18.998 > 1 13 F 0.42124431527904 0.07875568472096 0.07613518804037 18.998 > 2 14 F 0.92124431527904 0.07875568472096 0.07613518804037 18.998 > 2 15 F 0.42124431527904 0.57875568472096 0.07613518804037 18.998 > 2 16 F 0.92124431527904 0.57875568472096 0.07613518804037 18.998 > 2 17 F 0.42124431527904 0.07875568472096 0.40946852137371 18.998 > 2 18 F 0.92124431527904 0.07875568472096 0.40946852137371 18.998 > 2 19 F 0.42124431527904 0.57875568472096 0.40946852137371 18.998 > 2 20 F 0.92124431527904 0.57875568472096 0.40946852137371 18.998 > 2 21 F 0.42124431527904 0.07875568472096 0.74280185470704 18.998 > 2 22 F 0.92124431527904 0.07875568472096 0.74280185470704 18.998 > 2 23 F 0.42124431527904 0.57875568472096 0.74280185470704 18.998 > 2 24 F 0.92124431527904 0.57875568472096 0.74280185470704 18.998 > 2 25 F 0.15751136944193 0.07875568472096 0.07613518804037 18.998 > 3 26 F 0.65751136944193 0.07875568472096 0.07613518804037 18.998 > 3 27 F 0.15751136944193 0.57875568472096 0.07613518804037 18.998 > 3 28 F 0.65751136944193 0.57875568472096 0.07613518804037 18.998 > 3 29 F 0.15751136944193 0.07875568472096 0.40946852137371 18.998 > 3 30 F 0.65751136944193 0.07875568472096 0.40946852137371 18.998 > 3 31 F 0.15751136944193 0.57875568472096 0.40946852137371 18.998 > 3 32 F 0.65751136944193 0.57875568472096 0.40946852137371 18.998 > 3 33 F 0.15751136944193 0.07875568472096 0.74280185470704 18.998 > 3 34 F 0.65751136944193 0.07875568472096 0.74280185470704 18.998 > 3 35 F 0.15751136944193 0.57875568472096 0.74280185470704 18.998 > 3 36 F 0.65751136944193 0.57875568472096 0.74280185470704 18.998 > 3 37 F 0.07875568472096 0.15751136944193 0.25719814529296 18.998 > 4 38 F 0.57875568472096 0.15751136944193 0.25719814529296 18.998 > 4 39 F 0.07875568472096 0.65751136944193 0.25719814529296 18.998 > 4 40 F 0.57875568472096 0.65751136944193 0.25719814529296 18.998 > 4 41 F 0.07875568472096 0.15751136944193 0.59053147862629 18.998 > 4 42 F 0.57875568472096 0.15751136944193 0.59053147862629 18.998 > 4 43 F 0.07875568472096 0.65751136944193 0.59053147862629 18.998 > 4 44 F 0.57875568472096 0.65751136944193 0.59053147862629 18.998 > 4 45 F 0.07875568472096 0.15751136944193 0.92386481195963 18.998 > 4 46 F 0.57875568472096 0.15751136944193 0.92386481195963 18.998 > 4 47 F 0.07875568472096 0.65751136944193 0.92386481195963 18.998 > 4 48 F 0.57875568472096 0.65751136944193 0.92386481195963 18.998 > 4 49 F 0.07875568472096 0.42124431527904 0.25719814529296 18.998 > 5 50 F 0.57875568472096 0.42124431527904 0.25719814529296 18.998 > 5 51 F 0.07875568472096 0.92124431527904 0.25719814529296 18.998 > 5 52 F 0.57875568472096 0.92124431527904 0.25719814529296 18.998 > 5 53 F 0.07875568472096 0.42124431527904 0.59053147862629 18.998 > 5 54 F 0.57875568472096 0.42124431527904 0.59053147862629 18.998 > 5 55 F 0.07875568472096 0.92124431527904 0.59053147862629 18.998 > 5 56 F 0.57875568472096 0.92124431527904 0.59053147862629 18.998 > 5 57 F 0.07875568472096 0.42124431527904 0.92386481195963 18.998 > 5 58 F 0.57875568472096 0.42124431527904 0.92386481195963 18.998 > 5 59 F 0.07875568472096 0.92124431527904 0.92386481195963 18.998 > 5 60 F 0.57875568472096 0.92124431527904 0.92386481195963 18.998 > 5 61 F 0.34248863055807 0.42124431527904 0.25719814529296 18.998 > 6 62 F 0.84248863055807 0.42124431527904 0.25719814529296 18.998 > 6 63 F 0.34248863055807 0.92124431527904 0.25719814529296 18.998 > 6 64 F 0.84248863055807 0.92124431527904 0.25719814529296 18.998 > 6 65 F 0.34248863055807 0.42124431527904 0.59053147862629 18.998 > 6 66 F 0.84248863055807 0.42124431527904 0.59053147862629 18.998 > 6 67 F 0.34248863055807 0.92124431527904 0.59053147862629 18.998 > 6 68 F 0.84248863055807 0.92124431527904 0.59053147862629 18.998 > 6 69 F 0.34248863055807 0.42124431527904 0.92386481195963 18.998 > 6 70 F 0.84248863055807 0.42124431527904 0.92386481195963 18.998 > 6 71 F 0.34248863055807 0.92124431527904 0.92386481195963 18.998 > 6 72 F 0.84248863055807 0.92124431527904 0.92386481195963 18.998 > 6 *73 Rb 0.16666666666667 0.33333333333333 0.10149831287217 85.468 > 7 74 Rb 0.66666666666667 0.33333333333333 0.10149831287217 85.468 > 7 75 Rb 0.16666666666667 0.83333333333333 0.10149831287217 85.468 > 7 76 Rb 0.66666666666667 0.83333333333333 0.10149831287217 85.468 > 7 77 Rb 0.16666666666667 0.33333333333333 0.43483164620551 85.468 > 7 78 Rb 0.66666666666667 0.33333333333333 0.43483164620551 85.468 > 7 79 Rb 0.16666666666667 0.83333333333333 0.43483164620551 85.468 > 7 80 Rb 0.66666666666667 0.83333333333333 0.43483164620551 85.468 > 7 81 Rb 0.16666666666667 0.33333333333333 0.76816497953884 85.468 > 7 82 Rb 0.66666666666667 0.33333333333333 0.76816497953884 85.468 > 7 83 Rb 0.16666666666667 0.83333333333333 0.76816497953884 85.468 > 7 84 Rb 0.66666666666667 0.83333333333333 0.76816497953884 85.468 > 7 85 Rb 0.33333333333333 0.16666666666667 0.23183502046116 85.468 > 8 86 Rb 0.83333333333333 0.16666666666667 0.23183502046116 85.468 > 8 87 Rb 0.33333333333333 0.66666666666667 0.23183502046116 85.468 > 8 88 Rb 0.83333333333333 0.66666666666667 0.23183502046116 85.468 > 8 89 Rb 0.33333333333333 0.16666666666667 0.56516835379449 85.468 > 8 90 Rb 0.83333333333333 0.16666666666667 0.56516835379449 85.468 > 8 91 Rb 0.33333333333333 0.66666666666667 0.56516835379449 85.468 > 8 92 Rb 0.83333333333333 0.66666666666667 0.56516835379449 85.468 > 8 93 Rb 0.33333333333333 0.16666666666667 0.89850168712783 85.468 > 8 94 Rb 0.83333333333333 0.16666666666667 0.89850168712783 85.468 > 8 95 Rb 0.33333333333333 0.66666666666667 0.89850168712783 85.468 > 8 96 Rb 0.83333333333333 0.66666666666667 0.89850168712783 85.468 > 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 ---------------------------- 2.2294595 0.0000000 0.0000000 0.0000000 2.2294595 0.0000000 0.0000000 0.0000000 2.1771367 -------------------------- Born effective charges -------------------------- 1 F -0.8180042 -0.0000000 -0.0000000 0.0000000 -1.4720898 0.4866861 0.0000000 0.4909806 -1.0995190 2 F -1.3085684 0.2832274 0.4214826 0.2832274 -0.9815256 -0.2433431 0.4252016 -0.2454903 -1.0995190 3 F -1.3085684 -0.2832274 -0.4214826 -0.2832274 -0.9815256 -0.2433431 -0.4252016 -0.2454903 -1.0995190 4 F -0.8180042 -0.0000000 -0.0000000 0.0000000 -1.4720898 0.4866861 0.0000000 0.4909806 -1.0995190 5 F -1.3085684 0.2832274 0.4214826 0.2832274 -0.9815256 -0.2433431 0.4252016 -0.2454903 -1.0995190 6 F -1.3085684 -0.2832274 -0.4214826 -0.2832274 -0.9815256 -0.2433431 -0.4252016 -0.2454903 -1.0995190 7 Rb 1.2875413 -0.0000000 -0.0000000 0.0000000 1.2875413 0.0000000 0.0000000 0.0000000 1.2714857 8 Rb 1.2875413 -0.0000000 -0.0000000 0.0000000 1.2875413 0.0000000 0.0000000 0.0000000 1.2714857 9 Hf 4.2951994 -0.0000000 -0.0000000 0.0000000 4.2951994 0.0000000 0.0000000 0.0000000 4.0541425 ---------------------------------------------------------------------------- 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: 267 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): 0.017 Solver_block: 100 / 160 - Time: 0.279 Solver_block: 160 / 160 - Time: 0.209 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.508 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 267 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 (xx) 0.00000000 (xx) 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 00:21:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:21:27]------------------------- Compiled with OpenMP support (max 48 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 6.104946966681570 0.000000000000000 0.000000000000000 b -3.052473483340785 5.287039161902991 0.000000000000000 c 0.000000000000000 0.000000000000000 4.800729179999999 Atomic positions (fractional): 1 F 0.84248863055807 0.68497726111614 0.22840556412112 18.998 2 F 0.84248863055807 0.15751136944193 0.22840556412112 18.998 3 F 0.31502273888386 0.15751136944193 0.22840556412112 18.998 4 F 0.15751136944193 0.31502273888386 0.77159443587888 18.998 5 F 0.15751136944193 0.84248863055807 0.77159443587888 18.998 6 F 0.68497726111614 0.84248863055807 0.77159443587888 18.998 7 Rb 0.33333333333333 0.66666666666667 0.30449493861652 85.468 8 Rb 0.66666666666667 0.33333333333333 0.69550506138348 85.468 9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.209893933363141 0.000000000000000 0.000000000000000 b -6.104946966681570 10.574078323805981 0.000000000000000 c 0.000000000000000 0.000000000000000 14.402187539999998 Atomic positions (fractional): 1 F 0.42124431527904 0.34248863055807 0.07613518804037 18.998 > 1 2 F 0.92124431527904 0.34248863055807 0.07613518804037 18.998 > 1 3 F 0.42124431527904 0.84248863055807 0.07613518804037 18.998 > 1 4 F 0.92124431527904 0.84248863055807 0.07613518804037 18.998 > 1 5 F 0.42124431527904 0.34248863055807 0.40946852137371 18.998 > 1 6 F 0.92124431527904 0.34248863055807 0.40946852137371 18.998 > 1 7 F 0.42124431527904 0.84248863055807 0.40946852137371 18.998 > 1 8 F 0.92124431527904 0.84248863055807 0.40946852137371 18.998 > 1 9 F 0.42124431527904 0.34248863055807 0.74280185470704 18.998 > 1 10 F 0.92124431527904 0.34248863055807 0.74280185470704 18.998 > 1 11 F 0.42124431527904 0.84248863055807 0.74280185470704 18.998 > 1 12 F 0.92124431527904 0.84248863055807 0.74280185470704 18.998 > 1 13 F 0.42124431527904 0.07875568472096 0.07613518804037 18.998 > 13 14 F 0.92124431527904 0.07875568472096 0.07613518804037 18.998 > 13 15 F 0.42124431527904 0.57875568472096 0.07613518804037 18.998 > 13 16 F 0.92124431527904 0.57875568472096 0.07613518804037 18.998 > 13 17 F 0.42124431527904 0.07875568472096 0.40946852137371 18.998 > 13 18 F 0.92124431527904 0.07875568472096 0.40946852137371 18.998 > 13 19 F 0.42124431527904 0.57875568472096 0.40946852137371 18.998 > 13 20 F 0.92124431527904 0.57875568472096 0.40946852137371 18.998 > 13 21 F 0.42124431527904 0.07875568472096 0.74280185470704 18.998 > 13 22 F 0.92124431527904 0.07875568472096 0.74280185470704 18.998 > 13 23 F 0.42124431527904 0.57875568472096 0.74280185470704 18.998 > 13 24 F 0.92124431527904 0.57875568472096 0.74280185470704 18.998 > 13 25 F 0.15751136944193 0.07875568472096 0.07613518804037 18.998 > 25 26 F 0.65751136944193 0.07875568472096 0.07613518804037 18.998 > 25 27 F 0.15751136944193 0.57875568472096 0.07613518804037 18.998 > 25 28 F 0.65751136944193 0.57875568472096 0.07613518804037 18.998 > 25 29 F 0.15751136944193 0.07875568472096 0.40946852137371 18.998 > 25 30 F 0.65751136944193 0.07875568472096 0.40946852137371 18.998 > 25 31 F 0.15751136944193 0.57875568472096 0.40946852137371 18.998 > 25 32 F 0.65751136944193 0.57875568472096 0.40946852137371 18.998 > 25 33 F 0.15751136944193 0.07875568472096 0.74280185470704 18.998 > 25 34 F 0.65751136944193 0.07875568472096 0.74280185470704 18.998 > 25 35 F 0.15751136944193 0.57875568472096 0.74280185470704 18.998 > 25 36 F 0.65751136944193 0.57875568472096 0.74280185470704 18.998 > 25 37 F 0.07875568472096 0.15751136944193 0.25719814529296 18.998 > 37 38 F 0.57875568472096 0.15751136944193 0.25719814529296 18.998 > 37 39 F 0.07875568472096 0.65751136944193 0.25719814529296 18.998 > 37 40 F 0.57875568472096 0.65751136944193 0.25719814529296 18.998 > 37 41 F 0.07875568472096 0.15751136944193 0.59053147862629 18.998 > 37 42 F 0.57875568472096 0.15751136944193 0.59053147862629 18.998 > 37 43 F 0.07875568472096 0.65751136944193 0.59053147862629 18.998 > 37 44 F 0.57875568472096 0.65751136944193 0.59053147862629 18.998 > 37 45 F 0.07875568472096 0.15751136944193 0.92386481195963 18.998 > 37 46 F 0.57875568472096 0.15751136944193 0.92386481195963 18.998 > 37 47 F 0.07875568472096 0.65751136944193 0.92386481195963 18.998 > 37 48 F 0.57875568472096 0.65751136944193 0.92386481195963 18.998 > 37 49 F 0.07875568472096 0.42124431527904 0.25719814529296 18.998 > 49 50 F 0.57875568472096 0.42124431527904 0.25719814529296 18.998 > 49 51 F 0.07875568472096 0.92124431527904 0.25719814529296 18.998 > 49 52 F 0.57875568472096 0.92124431527904 0.25719814529296 18.998 > 49 53 F 0.07875568472096 0.42124431527904 0.59053147862629 18.998 > 49 54 F 0.57875568472096 0.42124431527904 0.59053147862629 18.998 > 49 55 F 0.07875568472096 0.92124431527904 0.59053147862629 18.998 > 49 56 F 0.57875568472096 0.92124431527904 0.59053147862629 18.998 > 49 57 F 0.07875568472096 0.42124431527904 0.92386481195963 18.998 > 49 58 F 0.57875568472096 0.42124431527904 0.92386481195963 18.998 > 49 59 F 0.07875568472096 0.92124431527904 0.92386481195963 18.998 > 49 60 F 0.57875568472096 0.92124431527904 0.92386481195963 18.998 > 49 61 F 0.34248863055807 0.42124431527904 0.25719814529296 18.998 > 61 62 F 0.84248863055807 0.42124431527904 0.25719814529296 18.998 > 61 63 F 0.34248863055807 0.92124431527904 0.25719814529296 18.998 > 61 64 F 0.84248863055807 0.92124431527904 0.25719814529296 18.998 > 61 65 F 0.34248863055807 0.42124431527904 0.59053147862629 18.998 > 61 66 F 0.84248863055807 0.42124431527904 0.59053147862629 18.998 > 61 67 F 0.34248863055807 0.92124431527904 0.59053147862629 18.998 > 61 68 F 0.84248863055807 0.92124431527904 0.59053147862629 18.998 > 61 69 F 0.34248863055807 0.42124431527904 0.92386481195963 18.998 > 61 70 F 0.84248863055807 0.42124431527904 0.92386481195963 18.998 > 61 71 F 0.34248863055807 0.92124431527904 0.92386481195963 18.998 > 61 72 F 0.84248863055807 0.92124431527904 0.92386481195963 18.998 > 61 73 Rb 0.16666666666667 0.33333333333333 0.10149831287217 85.468 > 73 74 Rb 0.66666666666667 0.33333333333333 0.10149831287217 85.468 > 73 75 Rb 0.16666666666667 0.83333333333333 0.10149831287217 85.468 > 73 76 Rb 0.66666666666667 0.83333333333333 0.10149831287217 85.468 > 73 77 Rb 0.16666666666667 0.33333333333333 0.43483164620551 85.468 > 73 78 Rb 0.66666666666667 0.33333333333333 0.43483164620551 85.468 > 73 79 Rb 0.16666666666667 0.83333333333333 0.43483164620551 85.468 > 73 80 Rb 0.66666666666667 0.83333333333333 0.43483164620551 85.468 > 73 81 Rb 0.16666666666667 0.33333333333333 0.76816497953884 85.468 > 73 82 Rb 0.66666666666667 0.33333333333333 0.76816497953884 85.468 > 73 83 Rb 0.16666666666667 0.83333333333333 0.76816497953884 85.468 > 73 84 Rb 0.66666666666667 0.83333333333333 0.76816497953884 85.468 > 73 85 Rb 0.33333333333333 0.16666666666667 0.23183502046116 85.468 > 85 86 Rb 0.83333333333333 0.16666666666667 0.23183502046116 85.468 > 85 87 Rb 0.33333333333333 0.66666666666667 0.23183502046116 85.468 > 85 88 Rb 0.83333333333333 0.66666666666667 0.23183502046116 85.468 > 85 89 Rb 0.33333333333333 0.16666666666667 0.56516835379449 85.468 > 85 90 Rb 0.83333333333333 0.16666666666667 0.56516835379449 85.468 > 85 91 Rb 0.33333333333333 0.66666666666667 0.56516835379449 85.468 > 85 92 Rb 0.83333333333333 0.66666666666667 0.56516835379449 85.468 > 85 93 Rb 0.33333333333333 0.16666666666667 0.89850168712783 85.468 > 85 94 Rb 0.83333333333333 0.16666666666667 0.89850168712783 85.468 > 85 95 Rb 0.33333333333333 0.66666666666667 0.89850168712783 85.468 > 85 96 Rb 0.83333333333333 0.66666666666667 0.89850168712783 85.468 > 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 ---------------------------- 2.2294595 0.0000000 0.0000000 0.0000000 2.2294595 0.0000000 0.0000000 0.0000000 2.1771367 -------------------------- Born effective charges -------------------------- 1 F -0.8180042 -0.0000000 -0.0000000 0.0000000 -1.4720898 0.4866861 0.0000000 0.4909806 -1.0995190 2 F -1.3085684 0.2832274 0.4214826 0.2832274 -0.9815256 -0.2433431 0.4252016 -0.2454903 -1.0995190 3 F -1.3085684 -0.2832274 -0.4214826 -0.2832274 -0.9815256 -0.2433431 -0.4252016 -0.2454903 -1.0995190 4 F -0.8180042 -0.0000000 -0.0000000 0.0000000 -1.4720898 0.4866861 0.0000000 0.4909806 -1.0995190 5 F -1.3085684 0.2832274 0.4214826 0.2832274 -0.9815256 -0.2433431 0.4252016 -0.2454903 -1.0995190 6 F -1.3085684 -0.2832274 -0.4214826 -0.2832274 -0.9815256 -0.2433431 -0.4252016 -0.2454903 -1.0995190 7 Rb 1.2875413 -0.0000000 -0.0000000 0.0000000 1.2875413 0.0000000 0.0000000 0.0000000 1.2714857 8 Rb 1.2875413 -0.0000000 -0.0000000 0.0000000 1.2875413 0.0000000 0.0000000 0.0000000 1.2714857 9 Hf 4.2951994 -0.0000000 -0.0000000 0.0000000 4.2951994 0.0000000 0.0000000 0.0000000 4.0541425 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 (yxx) -0.00000001 (yxx) -0.00000001 (yxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 00:21:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:21:35]------------------------- Compiled with OpenMP support (max 48 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 6.104946966681570 0.000000000000000 0.000000000000000 b -3.052473483340785 5.287039161902991 0.000000000000000 c 0.000000000000000 0.000000000000000 4.800729179999999 Atomic positions (fractional): 1 F 0.84248863055807 0.68497726111614 0.22840556412112 18.998 2 F 0.84248863055807 0.15751136944193 0.22840556412112 18.998 3 F 0.31502273888386 0.15751136944193 0.22840556412112 18.998 4 F 0.15751136944193 0.31502273888386 0.77159443587888 18.998 5 F 0.15751136944193 0.84248863055807 0.77159443587888 18.998 6 F 0.68497726111614 0.84248863055807 0.77159443587888 18.998 7 Rb 0.33333333333333 0.66666666666667 0.30449493861652 85.468 8 Rb 0.66666666666667 0.33333333333333 0.69550506138348 85.468 9 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.209893933363141 0.000000000000000 0.000000000000000 b -6.104946966681570 10.574078323805981 0.000000000000000 c 0.000000000000000 0.000000000000000 14.402187539999998 Atomic positions (fractional): 1 F 0.42124431527904 0.34248863055807 0.07613518804037 18.998 > 1 2 F 0.92124431527904 0.34248863055807 0.07613518804037 18.998 > 1 3 F 0.42124431527904 0.84248863055807 0.07613518804037 18.998 > 1 4 F 0.92124431527904 0.84248863055807 0.07613518804037 18.998 > 1 5 F 0.42124431527904 0.34248863055807 0.40946852137371 18.998 > 1 6 F 0.92124431527904 0.34248863055807 0.40946852137371 18.998 > 1 7 F 0.42124431527904 0.84248863055807 0.40946852137371 18.998 > 1 8 F 0.92124431527904 0.84248863055807 0.40946852137371 18.998 > 1 9 F 0.42124431527904 0.34248863055807 0.74280185470704 18.998 > 1 10 F 0.92124431527904 0.34248863055807 0.74280185470704 18.998 > 1 11 F 0.42124431527904 0.84248863055807 0.74280185470704 18.998 > 1 12 F 0.92124431527904 0.84248863055807 0.74280185470704 18.998 > 1 13 F 0.42124431527904 0.07875568472096 0.07613518804037 18.998 > 13 14 F 0.92124431527904 0.07875568472096 0.07613518804037 18.998 > 13 15 F 0.42124431527904 0.57875568472096 0.07613518804037 18.998 > 13 16 F 0.92124431527904 0.57875568472096 0.07613518804037 18.998 > 13 17 F 0.42124431527904 0.07875568472096 0.40946852137371 18.998 > 13 18 F 0.92124431527904 0.07875568472096 0.40946852137371 18.998 > 13 19 F 0.42124431527904 0.57875568472096 0.40946852137371 18.998 > 13 20 F 0.92124431527904 0.57875568472096 0.40946852137371 18.998 > 13 21 F 0.42124431527904 0.07875568472096 0.74280185470704 18.998 > 13 22 F 0.92124431527904 0.07875568472096 0.74280185470704 18.998 > 13 23 F 0.42124431527904 0.57875568472096 0.74280185470704 18.998 > 13 24 F 0.92124431527904 0.57875568472096 0.74280185470704 18.998 > 13 25 F 0.15751136944193 0.07875568472096 0.07613518804037 18.998 > 25 26 F 0.65751136944193 0.07875568472096 0.07613518804037 18.998 > 25 27 F 0.15751136944193 0.57875568472096 0.07613518804037 18.998 > 25 28 F 0.65751136944193 0.57875568472096 0.07613518804037 18.998 > 25 29 F 0.15751136944193 0.07875568472096 0.40946852137371 18.998 > 25 30 F 0.65751136944193 0.07875568472096 0.40946852137371 18.998 > 25 31 F 0.15751136944193 0.57875568472096 0.40946852137371 18.998 > 25 32 F 0.65751136944193 0.57875568472096 0.40946852137371 18.998 > 25 33 F 0.15751136944193 0.07875568472096 0.74280185470704 18.998 > 25 34 F 0.65751136944193 0.07875568472096 0.74280185470704 18.998 > 25 35 F 0.15751136944193 0.57875568472096 0.74280185470704 18.998 > 25 36 F 0.65751136944193 0.57875568472096 0.74280185470704 18.998 > 25 37 F 0.07875568472096 0.15751136944193 0.25719814529296 18.998 > 37 38 F 0.57875568472096 0.15751136944193 0.25719814529296 18.998 > 37 39 F 0.07875568472096 0.65751136944193 0.25719814529296 18.998 > 37 40 F 0.57875568472096 0.65751136944193 0.25719814529296 18.998 > 37 41 F 0.07875568472096 0.15751136944193 0.59053147862629 18.998 > 37 42 F 0.57875568472096 0.15751136944193 0.59053147862629 18.998 > 37 43 F 0.07875568472096 0.65751136944193 0.59053147862629 18.998 > 37 44 F 0.57875568472096 0.65751136944193 0.59053147862629 18.998 > 37 45 F 0.07875568472096 0.15751136944193 0.92386481195963 18.998 > 37 46 F 0.57875568472096 0.15751136944193 0.92386481195963 18.998 > 37 47 F 0.07875568472096 0.65751136944193 0.92386481195963 18.998 > 37 48 F 0.57875568472096 0.65751136944193 0.92386481195963 18.998 > 37 49 F 0.07875568472096 0.42124431527904 0.25719814529296 18.998 > 49 50 F 0.57875568472096 0.42124431527904 0.25719814529296 18.998 > 49 51 F 0.07875568472096 0.92124431527904 0.25719814529296 18.998 > 49 52 F 0.57875568472096 0.92124431527904 0.25719814529296 18.998 > 49 53 F 0.07875568472096 0.42124431527904 0.59053147862629 18.998 > 49 54 F 0.57875568472096 0.42124431527904 0.59053147862629 18.998 > 49 55 F 0.07875568472096 0.92124431527904 0.59053147862629 18.998 > 49 56 F 0.57875568472096 0.92124431527904 0.59053147862629 18.998 > 49 57 F 0.07875568472096 0.42124431527904 0.92386481195963 18.998 > 49 58 F 0.57875568472096 0.42124431527904 0.92386481195963 18.998 > 49 59 F 0.07875568472096 0.92124431527904 0.92386481195963 18.998 > 49 60 F 0.57875568472096 0.92124431527904 0.92386481195963 18.998 > 49 61 F 0.34248863055807 0.42124431527904 0.25719814529296 18.998 > 61 62 F 0.84248863055807 0.42124431527904 0.25719814529296 18.998 > 61 63 F 0.34248863055807 0.92124431527904 0.25719814529296 18.998 > 61 64 F 0.84248863055807 0.92124431527904 0.25719814529296 18.998 > 61 65 F 0.34248863055807 0.42124431527904 0.59053147862629 18.998 > 61 66 F 0.84248863055807 0.42124431527904 0.59053147862629 18.998 > 61 67 F 0.34248863055807 0.92124431527904 0.59053147862629 18.998 > 61 68 F 0.84248863055807 0.92124431527904 0.59053147862629 18.998 > 61 69 F 0.34248863055807 0.42124431527904 0.92386481195963 18.998 > 61 70 F 0.84248863055807 0.42124431527904 0.92386481195963 18.998 > 61 71 F 0.34248863055807 0.92124431527904 0.92386481195963 18.998 > 61 72 F 0.84248863055807 0.92124431527904 0.92386481195963 18.998 > 61 73 Rb 0.16666666666667 0.33333333333333 0.10149831287217 85.468 > 73 74 Rb 0.66666666666667 0.33333333333333 0.10149831287217 85.468 > 73 75 Rb 0.16666666666667 0.83333333333333 0.10149831287217 85.468 > 73 76 Rb 0.66666666666667 0.83333333333333 0.10149831287217 85.468 > 73 77 Rb 0.16666666666667 0.33333333333333 0.43483164620551 85.468 > 73 78 Rb 0.66666666666667 0.33333333333333 0.43483164620551 85.468 > 73 79 Rb 0.16666666666667 0.83333333333333 0.43483164620551 85.468 > 73 80 Rb 0.66666666666667 0.83333333333333 0.43483164620551 85.468 > 73 81 Rb 0.16666666666667 0.33333333333333 0.76816497953884 85.468 > 73 82 Rb 0.66666666666667 0.33333333333333 0.76816497953884 85.468 > 73 83 Rb 0.16666666666667 0.83333333333333 0.76816497953884 85.468 > 73 84 Rb 0.66666666666667 0.83333333333333 0.76816497953884 85.468 > 73 85 Rb 0.33333333333333 0.16666666666667 0.23183502046116 85.468 > 85 86 Rb 0.83333333333333 0.16666666666667 0.23183502046116 85.468 > 85 87 Rb 0.33333333333333 0.66666666666667 0.23183502046116 85.468 > 85 88 Rb 0.83333333333333 0.66666666666667 0.23183502046116 85.468 > 85 89 Rb 0.33333333333333 0.16666666666667 0.56516835379449 85.468 > 85 90 Rb 0.83333333333333 0.16666666666667 0.56516835379449 85.468 > 85 91 Rb 0.33333333333333 0.66666666666667 0.56516835379449 85.468 > 85 92 Rb 0.83333333333333 0.66666666666667 0.56516835379449 85.468 > 85 93 Rb 0.33333333333333 0.16666666666667 0.89850168712783 85.468 > 85 94 Rb 0.83333333333333 0.16666666666667 0.89850168712783 85.468 > 85 95 Rb 0.33333333333333 0.66666666666667 0.89850168712783 85.468 > 85 96 Rb 0.83333333333333 0.66666666666667 0.89850168712783 85.468 > 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 ---------------------------- 2.2294595 0.0000000 0.0000000 0.0000000 2.2294595 0.0000000 0.0000000 0.0000000 2.1771367 -------------------------- Born effective charges -------------------------- 1 F -0.8180042 -0.0000000 -0.0000000 0.0000000 -1.4720898 0.4866861 0.0000000 0.4909806 -1.0995190 2 F -1.3085684 0.2832274 0.4214826 0.2832274 -0.9815256 -0.2433431 0.4252016 -0.2454903 -1.0995190 3 F -1.3085684 -0.2832274 -0.4214826 -0.2832274 -0.9815256 -0.2433431 -0.4252016 -0.2454903 -1.0995190 4 F -0.8180042 -0.0000000 -0.0000000 0.0000000 -1.4720898 0.4866861 0.0000000 0.4909806 -1.0995190 5 F -1.3085684 0.2832274 0.4214826 0.2832274 -0.9815256 -0.2433431 0.4252016 -0.2454903 -1.0995190 6 F -1.3085684 -0.2832274 -0.4214826 -0.2832274 -0.9815256 -0.2433431 -0.4252016 -0.2454903 -1.0995190 7 Rb 1.2875413 -0.0000000 -0.0000000 0.0000000 1.2875413 0.0000000 0.0000000 0.0000000 1.2714857 8 Rb 1.2875413 -0.0000000 -0.0000000 0.0000000 1.2875413 0.0000000 0.0000000 0.0000000 1.2714857 9 Hf 4.2951994 -0.0000000 -0.0000000 0.0000000 4.2951994 0.0000000 0.0000000 0.0000000 4.0541425 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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: 0.77, 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 1.10e-04 1.10e-04 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 1.156 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 14.334 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 17.626 ( 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 13.628 7.868 0.604) 15.748 0.342 ( 13.851 7.997 0.156) 15.995 0.673 ( 27.042 15.613 -0.194) 31.226 1.249 ( 7.062 4.077 -0.099) 8.155 2.031 ( -0.983 -0.568 0.591) 1.280 2.104 ( -2.282 -1.317 -0.201) 2.642 2.125 ( -1.006 -0.581 1.571) 1.954 2.220 ( 3.127 1.805 -1.600) 3.949 2.347 ( -2.945 -1.701 -2.276) 4.092 2.439 ( -1.074 -0.620 1.551) 1.986 2.533 ( 3.278 1.892 1.392) 4.033 3.419 ( -2.527 -1.459 -1.695) 3.374 4.234 ( -1.594 -0.920 -0.596) 1.935 4.276 ( 1.582 0.914 0.929) 2.050 4.492 ( 3.966 2.290 -0.064) 4.580 4.696 ( -1.641 -0.947 0.529) 1.967 5.948 ( 1.070 0.618 -0.408) 1.302 6.987 ( -1.303 -0.752 5.394) 5.600 7.030 ( -2.275 -1.313 0.413) 2.659 7.123 ( 3.725 2.151 -5.063) 6.643 7.507 ( -0.940 -0.543 0.031) 1.086 14.209 ( -7.722 -4.458 -0.748) 8.948 14.397 ( -0.476 -0.275 -1.769) 1.853 14.574 ( 0.659 0.381 1.692) 1.855 14.675 ( 6.637 3.832 1.651) 7.840 16.350 ( -0.881 -0.509 -0.957) 1.397 17.623 ( -0.274 -0.158 0.007) 0.316 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 12.505 7.220 0.472) 14.447 0.666 ( 12.708 7.337 0.609) 14.686 1.296 ( 23.967 13.838 0.345) 27.677 1.455 ( 8.926 5.154 -0.568) 10.323 1.988 ( -2.639 -1.523 2.544) 3.969 2.026 ( -4.073 -2.352 -3.246) 5.715 2.066 ( -4.016 -2.319 0.935) 4.731 2.235 ( -2.329 -1.345 1.803) 3.238 2.317 ( 0.750 0.433 -0.341) 0.931 2.494 ( 6.113 3.529 -1.289) 7.176 2.600 ( 2.141 1.236 0.591) 2.542 3.327 ( -5.010 -2.892 -2.236) 6.202 4.179 ( -2.782 -1.606 -0.835) 3.320 4.325 ( 2.213 1.278 1.706) 3.073 4.620 ( 6.147 3.549 -0.202) 7.101 4.643 ( -2.528 -1.460 0.594) 2.979 5.989 ( 2.293 1.324 -0.676) 2.733 6.951 ( -4.142 -2.391 0.705) 4.835 6.968 ( -0.355 -0.205 4.526) 4.544 7.219 ( 3.951 2.281 -4.219) 6.214 7.477 ( -1.432 -0.827 0.240) 1.671 14.014 ( -7.881 -4.550 -0.728) 9.129 14.392 ( 0.182 0.105 -2.581) 2.589 14.586 ( 0.086 0.050 2.461) 2.463 14.839 ( 6.660 3.845 2.562) 8.106 16.318 ( -1.732 -1.000 -1.939) 2.786 17.613 ( -0.479 -0.276 0.044) 0.555 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 10.084 5.822 0.211) 11.646 0.949 ( 10.318 5.957 0.978) 11.954 1.639 ( 5.495 3.172 -1.051) 6.431 1.799 ( 13.512 7.801 5.712) 16.615 1.909 ( -3.990 -2.304 -0.450) 4.629 1.927 ( 0.223 0.129 -4.014) 4.022 1.952 ( -4.684 -2.704 -0.292) 5.416 2.171 ( -2.122 -1.225 0.382) 2.480 2.373 ( 3.346 1.932 1.849) 4.284 2.634 ( 0.588 0.339 -0.365) 0.771 2.666 ( 6.792 3.921 -1.750) 8.036 3.181 ( -6.729 -3.885 -1.546) 7.922 4.108 ( -2.841 -1.640 -0.737) 3.362 4.369 ( 1.078 0.623 2.119) 2.458 4.587 ( -1.716 -0.991 0.028) 1.981 4.766 ( 5.418 3.128 -0.220) 6.260 6.057 ( 3.186 1.840 -0.700) 3.745 6.839 ( -4.789 -2.765 0.750) 5.580 6.966 ( 0.098 0.057 2.945) 2.947 7.303 ( 2.715 1.567 -3.130) 4.430 7.445 ( -1.022 -0.590 0.654) 1.349 13.844 ( -5.828 -3.365 -0.546) 6.752 14.409 ( 1.166 0.673 -2.749) 3.061 14.575 ( -0.945 -0.545 2.642) 2.858 14.988 ( 5.340 3.083 2.748) 6.750 16.271 ( -2.048 -1.182 -2.321) 3.314 17.601 ( -0.481 -0.277 0.076) 0.560 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 4.551 2.628 -0.017) 5.256 1.142 ( 4.787 2.764 0.635) 5.564 1.698 ( -0.138 -0.080 -0.676) 0.695 1.790 ( -2.518 -1.454 2.088) 3.580 1.819 ( -2.259 -1.304 -0.087) 2.610 1.878 ( -0.998 -0.576 -0.304) 1.192 2.135 ( -0.176 -0.102 -0.932) 0.954 2.196 ( 8.349 4.820 -0.356) 9.647 2.451 ( 2.327 1.344 1.456) 3.056 2.632 ( -0.418 -0.241 -0.656) 0.814 2.782 ( 2.214 1.278 -0.916) 2.715 3.033 ( -4.150 -2.396 -0.369) 4.806 4.055 ( -1.253 -0.723 -0.301) 1.477 4.376 ( -0.186 -0.107 1.065) 1.087 4.566 ( -0.206 -0.119 -0.167) 0.291 4.862 ( 2.130 1.230 -0.094) 2.461 6.126 ( 1.888 1.090 -0.342) 2.207 6.742 ( -2.503 -1.445 0.369) 2.914 6.969 ( 0.092 0.053 1.018) 1.023 7.343 ( 0.627 0.362 -1.280) 1.471 7.433 ( -0.042 -0.024 0.444) 0.447 13.744 ( -2.157 -1.245 -0.205) 2.499 14.440 ( 1.106 0.639 -1.730) 2.151 14.547 ( -1.022 -0.590 1.687) 2.059 15.083 ( 2.171 1.254 1.282) 2.816 16.230 ( -1.001 -0.578 -1.132) 1.617 17.592 ( -0.205 -0.118 0.041) 0.240 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 7.295 12.635 0.000) 14.590 0.603 ( 8.211 14.223 0.000) 16.423 1.129 ( 14.124 24.464 0.000) 28.248 1.399 ( 5.380 9.318 0.000) 10.760 2.001 ( -1.351 -2.340 0.000) 2.702 2.049 ( -2.162 -3.744 0.000) 4.324 2.147 ( -2.480 -4.296 0.000) 4.960 2.157 ( 0.640 1.109 0.000) 1.281 2.380 ( -1.651 -2.859 0.000) 3.301 2.444 ( 3.813 6.604 0.000) 7.626 2.573 ( 1.043 1.807 0.000) 2.086 3.359 ( -2.423 -4.197 0.000) 4.847 4.201 ( -1.266 -2.192 0.000) 2.531 4.307 ( 1.111 1.924 0.000) 2.222 4.585 ( 3.598 6.231 0.000) 7.195 4.658 ( -1.446 -2.504 0.000) 2.892 5.974 ( 1.091 1.890 0.000) 2.182 6.893 ( -2.707 -4.689 0.000) 5.414 7.115 ( 0.719 1.246 0.000) 1.439 7.131 ( 1.729 2.995 0.000) 3.458 7.486 ( -0.809 -1.400 0.000) 1.617 14.065 ( -4.699 -8.138 0.000) 9.398 14.390 ( -0.265 -0.458 0.000) 0.529 14.573 ( 0.079 0.137 0.000) 0.158 14.816 ( 4.640 8.037 0.000) 9.280 16.323 ( -1.218 -2.109 0.000) 2.436 17.616 ( -0.254 -0.440 0.000) 0.508 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 8.678 9.261 0.001) 12.691 0.898 ( 7.906 13.078 0.806) 15.303 1.595 ( 5.612 7.901 -0.920) 9.735 1.629 ( 15.416 15.724 1.163) 22.051 1.929 ( -3.005 -3.917 1.753) 5.239 1.951 ( -3.340 -4.367 -2.211) 5.926 2.034 ( -4.842 -1.706 -0.216) 5.138 2.185 ( 0.236 -0.878 0.881) 1.266 2.342 ( 0.795 0.622 0.571) 1.159 2.594 ( 3.515 2.594 -0.489) 4.396 2.612 ( 3.264 2.659 -0.504) 4.240 3.244 ( -4.823 -4.868 -1.000) 6.925 4.147 ( -2.364 -1.167 -0.476) 2.679 4.350 ( 1.550 0.976 1.103) 2.139 4.599 ( -1.754 -2.565 0.155) 3.112 4.732 ( 4.397 6.694 -0.095) 8.010 6.029 ( 2.356 2.553 -0.400) 3.497 6.793 ( -1.417 -7.607 0.708) 7.770 7.086 ( -5.027 5.610 2.959) 8.094 7.237 ( 5.401 -0.011 -3.229) 6.292 7.453 ( -1.020 -1.369 0.271) 1.729 13.895 ( -5.123 -6.211 -0.341) 8.058 14.389 ( 0.771 -0.269 -1.359) 1.586 14.572 ( -0.026 -0.916 1.315) 1.603 14.988 ( 3.823 9.480 1.573) 10.342 16.264 ( -1.428 -4.275 -1.317) 4.695 17.605 ( -0.389 -0.464 0.037) 0.607 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 6.696 5.865 -0.309) 8.907 1.146 ( 4.414 11.575 1.427) 12.470 1.695 ( 0.057 0.435 -1.064) 1.151 1.828 ( -2.865 -3.350 0.878) 4.495 1.838 ( -2.819 -2.364 1.833) 4.110 1.914 ( -1.501 2.366 0.534) 2.852 2.055 ( 8.713 3.350 -3.665) 10.029 2.183 ( 0.285 5.057 0.952) 5.154 2.411 ( 3.884 1.934 1.660) 4.645 2.611 ( 0.881 -2.259 -0.611) 2.501 2.729 ( 3.899 1.106 -1.185) 4.223 3.095 ( -5.598 -4.031 -0.569) 6.922 4.101 ( -2.598 1.333 -0.456) 2.955 4.371 ( 0.373 -0.417 1.343) 1.454 4.555 ( -0.158 -2.055 -0.165) 2.068 4.862 ( 2.185 5.555 -0.097) 5.970 6.107 ( 2.526 2.963 -0.441) 3.919 6.685 ( -0.318 -8.906 0.579) 8.930 7.062 ( -4.181 5.778 1.702) 7.332 7.312 ( 2.939 -0.425 -2.144) 3.662 7.428 ( -0.226 -1.057 0.576) 1.225 13.765 ( -2.993 -3.797 -0.270) 4.842 14.412 ( 1.772 -0.084 -1.553) 2.358 14.550 ( -0.709 -1.578 1.509) 2.295 15.138 ( 0.383 10.683 1.743) 10.832 16.192 ( 0.190 -6.474 -1.554) 6.660 17.595 ( -0.280 -0.332 0.049) 0.438 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.513 0.888 0.000) 1.026 1.260 ( -4.329 7.497 0.000) 8.657 1.671 ( 1.206 -2.088 -0.000) 2.411 1.782 ( 1.420 -2.459 0.000) 2.839 1.784 ( -0.630 1.091 -0.000) 1.260 1.916 ( -2.528 4.378 0.000) 5.055 2.113 ( 1.488 -2.577 -0.000) 2.976 2.286 ( -2.072 3.588 0.000) 4.143 2.470 ( -0.232 0.403 -0.000) 0.465 2.598 ( 1.481 -2.565 0.000) 2.962 2.765 ( 1.580 -2.736 0.000) 3.160 3.009 ( -0.019 0.033 0.000) 0.038 4.084 ( -1.929 3.342 -0.000) 3.859 4.368 ( 0.386 -0.669 0.000) 0.772 4.546 ( 1.007 -1.744 -0.000) 2.014 4.913 ( -1.894 3.280 -0.000) 3.787 6.153 ( -0.904 1.566 0.000) 1.808 6.627 ( 4.200 -7.275 -0.000) 8.400 7.054 ( -3.396 5.882 -0.000) 6.792 7.335 ( 0.661 -1.145 0.000) 1.322 7.422 ( 0.537 -0.930 -0.000) 1.073 13.716 ( 0.730 -1.264 0.000) 1.459 14.434 ( 0.499 -0.864 0.000) 0.998 14.529 ( 0.569 -0.985 0.000) 1.138 15.202 ( -5.355 9.276 -0.000) 10.711 16.156 ( 3.660 -6.339 0.000) 7.320 17.590 ( 0.059 -0.102 0.000) 0.118 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.927 8.533 0.000) 9.853 1.175 ( 7.209 12.487 0.000) 14.418 1.704 ( 0.416 0.720 0.000) 0.832 1.819 ( -2.729 -4.727 0.000) 5.458 1.881 ( -0.761 -1.319 0.000) 1.523 1.923 ( 4.810 8.331 0.000) 9.619 1.994 ( -0.323 -0.559 0.000) 0.646 2.216 ( 2.495 4.322 0.000) 4.991 2.376 ( 1.865 3.231 0.000) 3.730 2.582 ( -0.710 -1.229 0.000) 1.419 2.696 ( 1.251 2.167 0.000) 2.503 3.128 ( -3.395 -5.881 0.000) 6.790 4.140 ( 0.346 0.599 0.000) 0.691 4.362 ( -0.005 -0.009 0.000) 0.011 4.543 ( -1.437 -2.490 0.000) 2.875 4.876 ( 3.666 6.350 0.000) 7.333 6.099 ( 2.350 4.070 0.000) 4.700 6.635 ( -4.291 -7.432 0.000) 8.582 7.166 ( 0.803 1.391 0.000) 1.607 7.251 ( 1.130 1.958 0.000) 2.261 7.424 ( -0.731 -1.265 0.000) 1.461 13.772 ( -2.920 -5.058 0.000) 5.841 14.393 ( 0.490 0.848 0.000) 0.979 14.547 ( -0.893 -1.547 0.000) 1.787 15.209 ( 6.304 10.919 0.000) 12.608 16.143 ( -4.036 -6.990 0.000) 8.072 17.595 ( -0.256 -0.444 0.000) 0.513 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.408 3.984 -0.136) 4.657 1.394 ( 2.095 11.033 0.939) 11.270 1.651 ( -2.546 -2.906 -1.047) 4.003 1.722 ( -0.070 -5.702 -0.036) 5.702 1.841 ( -3.426 1.762 1.060) 3.996 2.005 ( 1.479 0.694 0.004) 1.634 2.033 ( 1.115 0.832 -0.855) 1.633 2.351 ( 2.122 7.999 0.045) 8.276 2.465 ( 2.651 3.433 1.048) 4.462 2.550 ( -0.069 -3.237 -0.610) 3.295 2.694 ( 0.704 -4.311 -0.393) 4.385 3.021 ( -2.313 -2.773 -0.018) 3.611 4.166 ( -1.116 4.596 -0.159) 4.732 4.347 ( 0.059 -2.176 0.336) 2.203 4.507 ( 0.316 -2.145 -0.069) 2.169 4.975 ( 0.391 4.497 -0.012) 4.514 6.188 ( 1.264 4.979 -0.125) 5.139 6.495 ( -0.403 -8.947 0.148) 8.957 7.171 ( -2.702 4.438 0.582) 5.228 7.292 ( 2.242 -1.499 -0.725) 2.792 7.406 ( -0.003 -0.879 0.165) 0.894 13.696 ( -0.804 -2.477 -0.042) 2.605 14.421 ( 0.965 1.149 -0.339) 1.539 14.510 ( -0.552 -2.282 0.334) 2.372 15.409 ( -0.788 14.462 0.497) 14.492 16.000 ( 0.774 -11.557 -0.471) 11.592 17.588 ( -0.083 -0.223 0.009) 0.238 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -0.000 -0.000 0.000) 0.000 1.585 ( -3.451 -5.978 0.000) 6.903 1.585 ( 3.451 5.978 0.000) 6.903 1.622 ( 0.000 0.000 0.000) 0.000 1.914 ( -2.452 -4.247 0.000) 4.904 1.914 ( 2.452 4.247 0.000) 4.904 2.091 ( -0.000 -0.000 0.000) 0.000 2.477 ( -2.032 -3.520 0.000) 4.064 2.477 ( 2.032 3.520 0.000) 4.064 2.571 ( -3.221 -5.580 0.000) 6.443 2.571 ( 3.221 5.580 0.000) 6.443 2.990 ( -0.000 -0.000 0.000) 0.000 4.272 ( -2.393 -4.144 0.000) 4.786 4.272 ( 2.393 4.144 0.000) 4.786 4.482 ( -0.000 -0.000 0.000) 0.000 5.026 ( -0.000 -0.000 0.000) 0.000 6.320 ( -3.736 -6.472 0.000) 7.473 6.320 ( 3.736 6.472 0.000) 7.473 7.247 ( -1.409 -2.440 0.000) 2.817 7.247 ( 1.409 2.440 0.000) 2.817 7.396 ( -0.000 -0.000 0.000) 0.000 13.669 ( -0.000 -0.000 0.000) 0.000 14.459 ( -1.166 -2.019 0.000) 2.331 14.459 ( 1.166 2.019 0.000) 2.331 15.721 ( -7.287 -12.621 0.000) 14.574 15.721 ( 7.287 12.621 0.000) 14.574 17.586 ( -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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 -0.000 16.001) 16.001 0.334 ( 0.000 -0.000 16.001) 16.001 0.561 ( 0.000 0.000 26.305) 26.305 1.257 ( 0.000 -0.000 9.169) 9.169 2.055 ( 0.000 -0.000 1.290) 1.290 2.074 ( 0.000 -0.000 -5.224) 5.224 2.074 ( 0.000 0.000 -5.224) 5.224 2.389 ( 0.000 -0.000 -2.403) 2.403 2.389 ( 0.000 0.000 -2.403) 2.403 2.471 ( 0.000 -0.000 0.322) 0.322 2.471 ( 0.000 0.000 0.322) 0.322 2.818 ( 0.000 0.000 -0.206) 0.206 4.174 ( 0.000 -0.000 -7.546) 7.546 4.174 ( 0.000 -0.000 -7.546) 7.546 4.417 ( 0.000 0.000 -2.315) 2.315 5.952 ( 0.000 0.000 1.477) 1.477 5.952 ( 0.000 -0.000 1.477) 1.477 6.285 ( 0.000 0.000 2.268) 2.268 7.087 ( 0.000 0.000 2.591) 2.591 7.087 ( 0.000 0.000 2.591) 2.591 7.492 ( 0.000 0.000 -2.625) 2.625 14.372 ( 0.000 0.000 -2.736) 2.736 14.372 ( 0.000 0.000 -2.736) 2.736 14.588 ( 0.000 -0.000 1.890) 1.890 14.588 ( 0.000 -0.000 1.890) 1.890 16.161 ( 0.000 0.000 -3.248) 3.248 17.629 ( 0.000 -0.000 0.210) 0.210 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 9.608 5.547 8.525) 13.992 0.479 ( 9.960 5.750 11.266) 16.100 0.885 ( 19.471 11.242 16.490) 27.882 1.341 ( 6.283 3.627 8.429) 11.122 1.979 ( -2.361 -1.363 -2.099) 3.441 2.102 ( 0.409 0.236 -3.586) 3.617 2.150 ( 4.840 2.794 -3.192) 6.436 2.273 ( -6.713 -3.876 6.068) 9.844 2.288 ( -3.271 -1.888 -3.105) 4.889 2.473 ( 0.371 0.214 2.162) 2.204 2.552 ( 2.954 1.706 0.265) 3.422 3.030 ( 7.032 4.060 -17.562) 19.349 4.140 ( -2.083 -1.203 -8.258) 8.601 4.207 ( 2.059 1.189 -7.080) 7.468 4.467 ( 3.927 2.267 -2.268) 5.070 5.244 ( -21.037 -12.146 27.617) 36.780 5.957 ( 0.770 0.445 1.173) 1.472 6.820 ( 13.475 7.780 -12.667) 20.064 7.067 ( -1.956 -1.129 2.910) 3.684 7.109 ( 1.320 0.762 2.860) 3.241 7.479 ( -0.884 -0.510 -2.594) 2.788 14.335 ( -9.440 -5.450 8.231) 13.659 14.343 ( -1.033 -0.596 -3.083) 3.306 14.611 ( 8.882 5.128 -5.825) 11.795 14.618 ( 1.147 0.662 2.154) 2.529 16.200 ( 0.554 0.320 -8.579) 8.603 17.624 ( -0.350 -0.202 0.109) 0.418 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 12.605 7.277 3.719) 15.022 0.748 ( 11.421 6.594 6.917) 14.892 1.380 ( 20.257 11.695 7.252) 24.489 1.522 ( 7.805 4.506 6.661) 11.207 1.936 ( -1.687 -0.974 -2.613) 3.259 2.051 ( -4.516 -2.607 -2.126) 5.631 2.112 ( -6.076 -3.508 4.310) 8.234 2.275 ( 2.174 1.255 1.218) 2.790 2.278 ( 2.480 1.432 -2.964) 4.121 2.466 ( 1.573 0.908 0.436) 1.867 2.609 ( 1.717 0.991 0.092) 1.985 3.092 ( -0.777 -0.448 -15.437) 15.463 4.078 ( -2.963 -1.711 -8.771) 9.414 4.267 ( 2.655 1.533 -7.045) 7.683 4.593 ( 6.050 3.493 -2.324) 7.362 4.930 ( -7.917 -4.571 21.056) 22.955 5.991 ( 2.109 1.218 0.902) 2.597 6.994 ( -3.917 -2.262 3.226) 5.556 7.004 ( 3.273 1.889 -2.556) 4.562 7.154 ( 2.919 1.685 -0.023) 3.371 7.455 ( -0.979 -0.565 -2.118) 2.401 14.100 ( -9.009 -5.201 7.785) 12.994 14.328 ( -0.085 -0.049 -3.264) 3.266 14.637 ( 0.315 0.182 2.251) 2.280 14.836 ( 8.685 5.014 -2.888) 10.437 16.175 ( -2.099 -1.212 -10.166) 10.451 17.613 ( -0.523 -0.302 -0.088) 0.611 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 10.997 6.349 4.401) 13.439 1.008 ( 9.494 5.481 4.529) 11.861 1.684 ( 4.945 2.855 4.989) 7.583 1.814 ( 11.976 6.914 -1.226) 13.883 1.883 ( -2.264 -1.307 -1.436) 2.982 1.926 ( -4.899 -2.829 -2.045) 6.015 1.974 ( -3.018 -1.743 3.912) 5.239 2.238 ( -2.442 -1.410 6.100) 6.720 2.368 ( 4.044 2.335 -1.582) 4.930 2.596 ( 6.841 3.949 -4.384) 9.034 2.634 ( 0.429 0.248 0.150) 0.518 3.029 ( -3.910 -2.257 -10.528) 11.455 4.005 ( -2.725 -1.573 -8.957) 9.494 4.324 ( 1.762 1.017 -7.045) 7.333 4.738 ( 5.403 3.119 -2.439) 6.698 4.788 ( -4.278 -2.470 17.266) 17.958 6.057 ( 3.168 1.829 0.700) 3.725 6.885 ( -4.747 -2.741 3.484) 6.495 7.029 ( -0.380 -0.220 2.743) 2.778 7.240 ( 3.422 1.976 -3.242) 5.111 7.437 ( -0.415 -0.240 -0.881) 1.003 13.914 ( -6.083 -3.512 6.822) 9.791 14.340 ( 1.070 0.618 -3.495) 3.707 14.631 ( -0.836 -0.483 2.437) 2.622 15.014 ( 5.574 3.218 -0.489) 6.455 16.121 ( -1.856 -1.072 -11.085) 11.291 17.600 ( -0.537 -0.310 -0.248) 0.667 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 3.486 2.013 2.553) 4.766 1.203 ( 5.722 3.303 6.957) 9.594 1.742 ( 0.301 0.174 4.298) 4.312 1.768 ( -5.920 -3.418 -3.820) 7.831 1.809 ( -1.932 -1.115 -0.689) 2.335 1.861 ( -0.151 -0.087 -1.261) 1.273 2.132 ( 4.073 2.351 0.770) 4.765 2.252 ( 4.341 2.506 4.772) 6.921 2.432 ( 0.455 0.263 -1.950) 2.019 2.642 ( 0.550 0.317 0.865) 1.073 2.730 ( 3.699 2.136 -3.535) 5.544 2.931 ( -3.224 -1.861 -7.635) 8.494 3.959 ( -0.821 -0.474 -8.758) 8.810 4.343 ( -0.199 -0.115 -6.668) 6.672 4.717 ( -1.539 -0.889 15.362) 15.464 4.835 ( 2.240 1.293 -2.446) 3.559 6.129 ( 2.213 1.278 0.644) 2.635 6.786 ( -2.859 -1.651 3.549) 4.847 7.005 ( -1.421 -0.820 2.293) 2.819 7.306 ( 2.080 1.201 -3.224) 4.021 7.434 ( -0.019 -0.011 0.516) 0.517 13.815 ( -1.956 -1.129 6.645) 7.019 14.376 ( 1.716 0.991 -3.714) 4.210 14.600 ( -1.574 -0.909 2.674) 3.233 15.089 ( 0.409 0.236 -0.794) 0.924 16.104 ( 0.664 0.383 -10.413) 10.441 17.589 ( -0.277 -0.160 -0.367) 0.487 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -5.135 -2.965 1.466) 6.108 1.199 ( -6.300 -3.638 6.203) 9.560 1.707 ( 0.985 0.569 -4.499) 4.640 1.768 ( 1.543 0.891 5.364) 5.652 1.811 ( 2.432 1.404 -0.913) 2.953 1.871 ( 0.775 0.447 -0.839) 1.226 2.176 ( 0.889 0.513 3.076) 3.243 2.253 ( -6.014 -3.472 4.017) 8.023 2.386 ( -3.525 -2.035 -3.322) 5.254 2.657 ( 0.185 0.107 0.865) 0.891 2.763 ( -1.499 -0.866 -2.508) 3.048 2.935 ( 4.111 2.373 -8.192) 9.468 3.972 ( 1.808 1.044 -8.137) 8.400 4.320 ( -1.490 -0.860 -6.753) 6.969 4.712 ( 1.099 0.635 14.825) 14.879 4.838 ( -1.959 -1.131 -2.298) 3.225 6.141 ( -1.328 -0.767 1.044) 1.855 6.772 ( 1.891 1.092 3.096) 3.789 6.963 ( -1.977 -1.141 0.324) 2.305 7.350 ( 1.734 1.001 -2.444) 3.159 7.424 ( -0.994 -0.574 1.351) 1.773 13.823 ( 2.593 1.497 6.976) 7.591 14.414 ( 1.161 0.671 -3.437) 3.690 14.564 ( -1.171 -0.676 2.468) 2.814 15.040 ( -4.073 -2.352 -2.775) 5.461 16.147 ( 2.493 1.439 -8.725) 9.188 17.588 ( 0.187 0.108 -0.392) 0.447 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -11.635 -6.718 2.368) 13.642 0.968 ( -9.293 -5.366 2.652) 11.054 1.710 ( -4.477 -2.585 -0.992) 5.264 1.728 ( -5.258 -3.035 7.178) 9.401 1.910 ( 3.441 1.987 -0.357) 3.989 1.930 ( 3.520 2.032 -2.646) 4.850 2.041 ( -4.755 -2.745 5.451) 7.737 2.208 ( 0.716 0.413 3.579) 3.673 2.307 ( -2.101 -1.213 -3.245) 4.052 2.640 ( -1.604 -0.926 -0.271) 1.872 2.660 ( -6.356 -3.670 -2.054) 7.622 3.070 ( 5.494 3.172 -10.204) 12.015 4.036 ( 3.187 1.840 -7.469) 8.326 4.276 ( -2.109 -1.217 -7.680) 8.057 4.747 ( -5.313 -3.067 -2.108) 6.487 4.771 ( 3.856 2.227 16.511) 17.101 6.082 ( -2.950 -1.703 1.576) 3.753 6.858 ( 4.533 2.617 2.505) 5.802 6.912 ( -2.193 -1.266 -2.238) 3.379 7.374 ( -1.932 -1.116 3.597) 4.233 7.401 ( 1.206 0.696 -3.574) 3.836 13.935 ( 6.492 3.748 7.675) 10.729 14.424 ( -0.231 -0.134 -1.919) 1.937 14.551 ( 0.065 0.037 1.038) 1.040 14.911 ( -6.176 -3.566 -4.310) 8.333 16.206 ( 2.056 1.187 -8.067) 8.409 17.597 ( 0.554 0.320 -0.276) 0.697 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -12.507 -7.221 2.116) 14.596 0.721 ( -10.696 -6.175 5.487) 13.515 1.387 ( -19.010 -10.975 8.886) 23.681 1.546 ( -8.879 -5.126 7.779) 12.870 1.939 ( 1.672 0.965 -0.882) 2.122 2.002 ( 2.178 1.257 -5.160) 5.740 2.151 ( 8.001 4.620 4.511) 10.282 2.208 ( -0.986 -0.569 0.443) 1.222 2.305 ( 1.850 1.068 -0.743) 2.262 2.492 ( -6.574 -3.795 -1.098) 7.670 2.582 ( -3.049 -1.761 -1.440) 3.804 3.156 ( 0.931 0.538 -13.807) 13.849 4.112 ( 2.828 1.633 -7.123) 7.836 4.222 ( -2.162 -1.248 -8.174) 8.547 4.601 ( -6.209 -3.585 -2.049) 7.456 4.911 ( 8.214 4.742 20.953) 23.000 6.016 ( -2.343 -1.353 1.785) 3.241 6.857 ( -2.460 -1.420 -5.521) 6.209 6.968 ( 4.202 2.426 2.274) 5.359 7.294 ( -4.241 -2.448 3.107) 5.800 7.442 ( 1.711 0.988 -3.010) 3.600 14.126 ( 9.015 5.205 8.705) 13.570 14.413 ( -0.578 -0.334 -1.191) 1.366 14.557 ( 0.322 0.186 0.376) 0.528 14.749 ( -7.157 -4.132 -5.470) 9.910 16.238 ( 0.469 0.271 -8.547) 8.565 17.612 ( 0.583 0.337 -0.077) 0.678 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -8.466 -4.888 9.013) 13.297 0.469 ( -9.398 -5.426 10.470) 15.080 0.896 ( -20.022 -11.560 16.969) 28.678 1.345 ( -6.726 -3.883 8.590) 11.580 1.991 ( 2.664 1.538 -0.236) 3.085 2.042 ( 1.323 0.764 -5.977) 6.169 2.149 ( -3.318 -1.916 -2.532) 4.592 2.334 ( 4.348 2.511 8.342) 9.737 2.377 ( 3.569 2.060 0.640) 4.170 2.392 ( 0.745 0.430 -2.957) 3.080 2.496 ( -3.929 -2.268 -2.279) 5.077 3.071 ( -9.023 -5.210 -16.491) 19.507 4.165 ( 1.359 0.785 -7.128) 7.298 4.180 ( -1.108 -0.639 -8.082) 8.182 4.470 ( -4.138 -2.389 -2.196) 5.259 5.238 ( 21.571 12.454 27.803) 37.328 5.972 ( -1.311 -0.757 1.718) 2.289 6.753 ( -8.670 -5.006 -11.723) 15.416 7.051 ( 2.523 1.457 2.345) 3.740 7.170 ( -5.678 -3.278 2.004) 6.855 7.477 ( 1.103 0.637 -2.716) 3.000 14.348 ( 7.531 4.348 7.076) 11.211 14.397 ( -0.790 -0.456 -1.898) 2.106 14.567 ( 0.570 0.329 1.096) 1.279 14.578 ( -5.420 -3.129 -4.736) 7.848 16.220 ( -2.205 -1.273 -8.651) 9.018 17.624 ( 0.362 0.209 0.120) 0.435 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 7.716 11.433 3.632) 14.263 0.681 ( 8.195 11.824 7.023) 16.009 1.246 ( 10.911 20.156 10.281) 25.120 1.482 ( 4.481 9.109 7.612) 12.688 1.939 ( -1.244 -2.263 -2.525) 3.611 2.104 ( 6.741 -2.241 -3.762) 8.038 2.133 ( -5.890 -1.695 -1.798) 6.387 2.172 ( -4.107 -3.398 5.494) 7.655 2.377 ( -1.985 -0.004 -0.580) 2.068 2.427 ( 3.475 2.894 -0.140) 4.525 2.573 ( 2.503 1.637 -0.197) 2.998 3.127 ( -1.669 2.284 -15.729) 15.981 4.116 ( -2.470 -1.392 -8.028) 8.514 4.226 ( 2.555 0.929 -7.465) 7.945 4.560 ( 3.222 6.091 -2.227) 7.242 4.980 ( -5.122 -10.220 22.757) 25.467 5.989 ( 0.262 2.344 1.397) 2.741 6.866 ( 3.525 -2.000 -3.387) 5.281 7.047 ( 3.179 -0.852 -1.166) 3.492 7.201 ( -3.367 5.879 3.364) 7.564 7.457 ( -0.470 -1.528 -2.637) 3.083 14.173 ( -6.414 -8.960 8.572) 13.961 14.360 ( -2.773 1.313 -2.431) 3.915 14.591 ( 2.498 -1.576 1.298) 3.226 14.759 ( 8.045 7.742 -4.762) 12.138 16.209 ( -2.579 -0.141 -9.131) 9.489 17.616 ( -0.280 -0.535 -0.035) 0.605 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 9.255 8.916 3.036) 13.205 0.967 ( 8.381 12.293 5.198) 15.760 1.629 ( 8.026 8.816 3.457) 12.413 1.684 ( 9.433 11.481 5.154) 15.728 1.889 ( -1.610 -3.253 -2.276) 4.284 1.982 ( -4.890 -4.095 0.315) 6.386 2.064 ( -6.288 -1.117 2.655) 6.916 2.208 ( 5.422 -1.519 0.642) 5.668 2.329 ( -0.486 -1.150 0.104) 1.252 2.553 ( 3.763 6.620 -3.266) 8.285 2.613 ( 1.317 -0.259 0.584) 1.464 3.079 ( -3.491 -1.560 -12.055) 12.647 4.054 ( -3.066 -0.486 -8.509) 9.057 4.283 ( 2.807 0.070 -7.379) 7.896 4.691 ( 3.808 4.596 -1.333) 6.116 4.836 ( -3.175 -3.062 16.992) 17.555 6.037 ( 1.821 3.014 1.107) 3.692 6.828 ( -0.198 -8.090 2.443) 8.453 7.120 ( 0.433 3.407 -1.062) 3.595 7.204 ( -0.063 3.424 1.287) 3.658 7.433 ( -0.265 -1.503 -1.850) 2.398 13.975 ( -5.984 -6.322 7.326) 11.378 14.343 ( -0.554 1.206 -2.694) 3.003 14.606 ( 1.251 -2.359 1.617) 3.121 14.981 ( 6.440 8.348 -2.306) 10.792 16.138 ( -3.090 -2.739 -9.828) 10.661 17.603 ( -0.399 -0.572 -0.220) 0.731 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 7.523 6.102 3.697) 10.368 1.215 ( 4.248 11.299 4.975) 13.056 1.716 ( -0.065 -1.917 2.144) 2.877 1.801 ( -2.342 -4.224 -2.002) 5.228 1.853 ( -3.194 0.161 0.414) 3.224 1.942 ( -5.036 2.710 0.012) 5.719 2.026 ( 8.720 3.124 1.051) 9.323 2.245 ( 0.939 3.403 4.926) 6.060 2.392 ( 4.745 0.547 -2.404) 5.347 2.621 ( 0.772 -1.307 0.924) 1.777 2.671 ( 3.791 1.903 -3.696) 5.626 2.983 ( -4.260 -2.256 -8.402) 9.687 4.005 ( -2.756 1.744 -8.689) 9.281 4.319 ( 1.732 -1.368 -7.242) 7.571 4.712 ( -0.732 -2.990 12.532) 12.905 4.850 ( 1.044 5.597 0.862) 5.758 6.112 ( 2.305 3.440 0.960) 4.250 6.726 ( -0.135 -9.394 3.131) 9.903 7.112 ( -4.756 5.078 2.927) 7.548 7.270 ( 3.125 1.113 -2.714) 4.286 7.420 ( 0.484 -1.457 -0.496) 1.613 13.836 ( -3.158 -3.667 6.747) 8.303 14.362 ( 0.968 1.398 -2.868) 3.334 14.588 ( 0.080 -3.016 1.786) 3.506 15.145 ( 0.760 9.070 -1.161) 9.175 16.063 ( 0.054 -4.868 -10.155) 11.262 17.591 ( -0.299 -0.457 -0.378) 0.664 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.129 2.393 4.654) 5.234 1.291 ( -6.308 4.158 3.786) 8.451 1.702 ( 2.698 -0.142 -0.414) 2.733 1.736 ( -0.776 -1.659 -0.442) 1.884 1.784 ( -0.615 -1.252 -0.370) 1.444 1.935 ( -3.084 6.166 1.384) 7.032 2.133 ( 3.786 -1.946 1.746) 4.601 2.303 ( -1.835 1.402 1.394) 2.698 2.427 ( -1.561 -0.487 -2.192) 2.735 2.626 ( 1.647 -1.638 1.517) 2.775 2.732 ( 2.961 -1.937 -2.802) 4.513 2.917 ( -0.351 0.443 -7.337) 7.359 3.995 ( -1.475 3.645 -8.436) 9.308 4.316 ( 0.243 -2.242 -7.009) 7.363 4.685 ( 0.835 -1.681 13.340) 13.471 4.895 ( -2.047 3.712 -0.985) 4.352 6.165 ( -0.621 2.113 1.066) 2.447 6.660 ( 3.741 -7.818 2.950) 9.155 7.076 ( -5.040 5.235 1.843) 7.497 7.326 ( 2.061 0.832 -2.415) 3.282 7.413 ( 0.464 -2.040 0.664) 2.195 13.790 ( 0.970 -1.117 6.783) 6.942 14.397 ( 1.139 0.964 -2.837) 3.206 14.555 ( -0.036 -2.795 1.760) 3.304 15.178 ( -6.818 7.650 -2.286) 10.499 16.058 ( 4.945 -4.800 -8.946) 11.293 17.585 ( 0.057 -0.195 -0.462) 0.504 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -10.352 -3.901 3.797) 11.697 1.152 ( -11.194 2.427 1.883) 11.608 1.745 ( 0.423 1.916 -2.830) 3.444 1.764 ( 0.997 0.312 4.013) 4.147 1.835 ( 5.216 0.167 0.171) 5.222 1.932 ( -2.434 4.211 1.458) 5.078 2.145 ( -2.947 -5.690 4.036) 7.573 2.191 ( -4.295 0.969 1.298) 4.590 2.347 ( -4.025 -1.853 -2.605) 5.140 2.634 ( 0.598 -1.807 0.916) 2.112 2.712 ( -2.403 -3.213 -2.622) 4.793 2.994 ( 5.457 2.497 -8.645) 10.523 4.024 ( 0.599 3.129 -7.788) 8.415 4.289 ( -0.795 -1.717 -7.586) 7.819 4.707 ( 2.724 -0.673 12.591) 12.900 4.852 ( -5.404 1.695 0.434) 5.680 6.128 ( -3.593 -0.556 1.504) 3.935 6.704 ( 7.255 -4.319 2.176) 8.720 7.044 ( -4.782 5.989 -0.142) 7.665 7.366 ( 1.176 -0.206 1.059) 1.596 7.387 ( -0.052 -2.175 -1.313) 2.542 13.847 ( 5.304 0.693 7.179) 8.953 14.409 ( 0.166 -1.300 -1.893) 2.302 14.543 ( 0.804 -0.498 0.834) 1.261 15.079 ( -10.456 4.926 -3.698) 12.135 16.122 ( 5.963 -3.332 -7.938) 10.472 17.590 ( 0.495 0.066 -0.406) 0.643 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -13.083 -2.876 2.200) 13.574 0.934 ( -14.193 1.194 3.780) 14.736 1.638 ( -14.679 -3.302 2.928) 15.328 1.681 ( -9.158 -1.231 7.036) 11.614 1.893 ( 2.452 -1.033 -1.175) 2.908 1.994 ( 5.845 2.229 -0.048) 6.256 2.067 ( 0.678 3.337 1.764) 3.835 2.181 ( 0.507 -2.928 1.173) 3.194 2.307 ( 0.835 1.472 -1.381) 2.184 2.587 ( -7.147 -2.831 -2.024) 7.949 2.610 ( -1.343 -1.195 0.074) 1.799 3.106 ( 4.333 0.064 -11.590) 12.373 4.075 ( 2.310 0.914 -7.501) 7.902 4.254 ( -1.810 -0.207 -8.001) 8.206 4.695 ( -5.613 -1.337 -0.952) 5.848 4.826 ( 3.765 2.018 16.511) 17.054 6.051 ( -3.303 -1.251 1.622) 3.887 6.798 ( 5.745 -1.527 0.891) 6.011 7.033 ( -3.502 6.410 -1.796) 7.522 7.310 ( -2.155 -4.841 3.570) 6.389 7.418 ( 1.886 0.843 -2.891) 3.554 13.988 ( 8.850 0.981 7.840) 11.864 14.387 ( 0.139 -2.747 -1.522) 3.143 14.563 ( 0.569 1.393 0.465) 1.575 14.924 ( -10.918 3.276 -4.231) 12.159 16.184 ( 4.011 -2.516 -8.317) 9.570 17.602 ( 0.708 0.149 -0.228) 0.759 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 5.283 9.663 3.151) 11.455 1.215 ( 8.867 10.657 3.539) 14.308 1.728 ( -2.101 -0.383 1.254) 2.476 1.806 ( -2.794 -4.083 -1.736) 5.243 1.848 ( 4.647 1.026 1.336) 4.943 1.968 ( 0.828 3.929 2.997) 5.011 2.055 ( -3.470 1.167 3.599) 5.133 2.228 ( 5.285 3.640 0.303) 6.424 2.326 ( 1.803 1.881 -2.600) 3.681 2.606 ( -0.597 -0.399 1.488) 1.652 2.660 ( 0.157 2.761 -2.987) 4.071 3.018 ( -2.791 -4.004 -8.924) 10.172 4.059 ( -0.344 0.924 -7.969) 8.030 4.276 ( 0.849 -0.646 -8.031) 8.101 4.700 ( -1.286 -2.473 11.240) 11.581 4.875 ( 2.941 5.095 2.134) 6.258 6.116 ( 1.975 4.461 1.584) 5.129 6.661 ( -3.555 -7.704 2.408) 8.820 7.158 ( 5.104 1.052 -0.680) 5.256 7.286 ( -3.531 3.634 2.547) 5.671 7.395 ( 0.078 -2.033 -2.173) 2.977 13.850 ( -3.364 -5.165 7.067) 9.378 14.375 ( -0.526 1.815 -1.566) 2.454 14.554 ( 0.113 -2.484 0.492) 2.535 15.173 ( 8.135 9.636 -3.296) 13.034 16.051 ( -5.477 -5.473 -8.303) 11.353 17.591 ( -0.275 -0.567 -0.419) 0.757 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 3.273 5.500 5.109) 8.189 1.433 ( 1.231 8.310 2.835) 8.866 1.646 ( -0.796 -2.758 -0.648) 2.943 1.717 ( -1.375 -3.974 0.656) 4.257 1.847 ( -4.215 0.315 -0.006) 4.227 2.015 ( 4.133 -3.292 0.389) 5.298 2.065 ( -1.825 6.977 3.706) 8.108 2.352 ( 1.019 4.938 0.022) 5.042 2.408 ( 3.659 1.176 -3.737) 5.361 2.589 ( 0.178 -1.337 2.325) 2.688 2.658 ( 0.865 -2.811 -2.530) 3.879 2.935 ( -2.034 -2.103 -6.974) 7.562 4.077 ( -1.432 4.749 -8.372) 9.731 4.270 ( 1.029 -3.292 -7.926) 8.644 4.658 ( -0.226 -1.942 12.838) 12.986 4.961 ( 0.223 4.324 -0.478) 4.356 6.205 ( 1.074 5.503 1.651) 5.845 6.527 ( -0.249 -9.323 2.689) 9.706 7.207 ( -2.797 3.873 2.710) 5.492 7.291 ( 1.953 0.822 -0.815) 2.271 7.378 ( 0.453 -2.374 -1.427) 2.807 13.770 ( -0.856 -2.427 6.795) 7.266 14.400 ( 0.507 2.244 -1.517) 2.756 14.520 ( -0.108 -3.320 0.480) 3.357 15.378 ( -0.513 12.698 -3.351) 13.143 15.909 ( 0.577 -9.819 -7.938) 12.640 17.582 ( -0.086 -0.327 -0.564) 0.657 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -5.920 -0.743 5.773) 8.303 1.390 ( -9.475 4.853 0.469) 10.656 1.690 ( 2.632 -2.629 -0.216) 3.726 1.720 ( 6.263 -0.822 2.540) 6.808 1.807 ( -1.473 5.083 -1.565) 5.519 2.042 ( 1.854 -4.509 2.439) 5.451 2.075 ( -2.974 3.728 3.386) 5.849 2.330 ( -6.165 1.667 -3.141) 7.117 2.405 ( -3.712 -1.461 -1.299) 4.195 2.594 ( 1.452 -1.048 2.010) 2.692 2.670 ( 2.958 -2.906 -2.306) 4.745 2.934 ( 2.915 0.755 -7.076) 7.690 4.083 ( -2.926 3.428 -8.143) 9.308 4.262 ( 1.646 -2.215 -8.052) 8.512 4.657 ( 1.719 -0.736 12.778) 12.914 4.961 ( -3.825 1.945 -0.494) 4.320 6.210 ( -4.955 1.605 1.811) 5.515 6.521 ( 7.721 -4.161 2.466) 9.111 7.182 ( -4.097 4.435 1.280) 6.172 7.333 ( 1.513 -1.702 2.853) 3.651 7.360 ( 0.679 -1.178 -3.694) 3.936 13.771 ( 2.725 -0.580 6.863) 7.407 14.411 ( -1.286 0.084 -1.207) 1.765 14.509 ( 2.033 -0.978 0.167) 2.262 15.359 ( -12.266 7.617 -4.098) 15.009 15.927 ( 9.617 -6.162 -7.232) 13.519 17.582 ( 0.293 -0.070 -0.571) 0.645 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.000 -0.000 6.854) 6.854 1.569 ( -2.752 -5.505 -1.420) 6.316 1.569 ( 2.752 5.505 -1.420) 6.316 1.670 ( -0.000 -0.000 4.686) 4.686 1.913 ( -2.573 -5.146 -0.207) 5.757 1.913 ( 2.573 5.146 -0.207) 5.757 2.153 ( -0.000 -0.000 5.731) 5.731 2.421 ( -0.686 -1.373 -4.285) 4.552 2.421 ( 0.686 1.373 -4.285) 4.552 2.590 ( -0.956 -1.911 1.186) 2.444 2.590 ( 0.956 1.911 1.186) 2.444 2.910 ( -0.000 -0.000 -6.620) 6.620 4.183 ( -2.151 -4.303 -8.324) 9.614 4.183 ( 2.151 4.303 -8.324) 9.614 4.637 ( -0.000 -0.000 12.946) 12.946 5.010 ( -0.000 -0.000 -0.880) 0.880 6.345 ( -3.454 -6.908 2.274) 8.051 6.345 ( 3.454 6.908 2.274) 8.051 7.278 ( -1.337 -2.673 2.821) 4.110 7.278 ( 1.337 2.673 2.821) 4.110 7.344 ( -0.000 -0.000 -4.892) 4.892 13.743 ( -0.000 -0.000 6.795) 6.795 14.454 ( -1.240 -2.480 -0.495) 2.816 14.454 ( 1.240 2.480 -0.495) 2.816 15.659 ( -6.061 -12.123 -5.652) 14.685 15.659 ( 6.061 12.123 -5.652) 14.685 17.579 ( -0.000 -0.000 -0.651) 0.651 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 0.000 16.093) 16.093 0.667 ( 0.000 0.000 16.093) 16.093 1.082 ( 0.000 0.000 23.397) 23.397 1.501 ( 0.000 -0.000 13.323) 13.323 1.953 ( 0.000 0.000 -5.388) 5.388 1.953 ( 0.000 0.000 -5.388) 5.388 2.095 ( 0.000 -0.000 2.521) 2.521 2.323 ( 0.000 -0.000 -3.943) 3.943 2.323 ( 0.000 -0.000 -3.943) 3.943 2.466 ( -0.000 -0.000 -0.758) 0.758 2.466 ( 0.000 -0.000 -0.758) 0.758 2.805 ( 0.000 -0.000 -1.219) 1.219 3.947 ( 0.000 -0.000 -13.967) 13.967 3.947 ( 0.000 0.000 -13.967) 13.967 4.349 ( 0.000 0.000 -4.114) 4.114 5.992 ( 0.000 -0.000 2.210) 2.210 5.992 ( 0.000 0.000 2.210) 2.210 6.357 ( 0.000 0.000 4.643) 4.643 7.158 ( 0.000 -0.000 3.999) 3.999 7.158 ( 0.000 0.000 3.999) 3.999 7.410 ( 0.000 0.000 -5.223) 5.223 14.307 ( 0.000 0.000 -3.236) 3.236 14.307 ( 0.000 -0.000 -3.236) 3.236 14.629 ( 0.000 0.000 1.870) 1.870 14.629 ( 0.000 -0.000 1.870) 1.870 16.071 ( 0.000 0.000 -5.079) 5.079 17.633 ( 0.000 -0.000 0.188) 0.188 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 2.400 1.386 14.306) 14.572 0.754 ( 6.036 3.485 14.500) 16.088 1.258 ( 11.867 6.851 18.144) 22.737 1.567 ( 4.844 2.797 12.333) 13.542 1.913 ( -1.575 -0.909 -4.028) 4.419 2.007 ( 1.900 1.097 -4.490) 4.998 2.111 ( 3.500 2.021 0.253) 4.049 2.222 ( -3.264 -1.885 -3.321) 5.023 2.333 ( -6.548 -3.780 0.646) 7.588 2.498 ( 6.809 3.931 -1.148) 7.946 2.541 ( 2.740 1.582 -1.285) 3.415 2.795 ( -1.288 -0.744 -6.234) 6.409 3.900 ( -2.623 -1.514 -14.462) 14.776 3.990 ( 2.307 1.332 -13.465) 13.726 4.400 ( 3.938 2.274 -4.125) 6.140 5.667 ( -15.742 -9.089 14.901) 23.504 5.993 ( 0.597 0.345 2.146) 2.254 6.642 ( 13.313 7.686 -4.723) 16.082 7.142 ( -1.758 -1.015 4.078) 4.556 7.180 ( 1.352 0.780 3.583) 3.908 7.402 ( -0.375 -0.216 -4.659) 4.679 14.278 ( -1.013 -0.585 -2.996) 3.216 14.447 ( 5.651 3.263 -0.926) 6.591 14.518 ( -3.682 -2.126 0.681) 4.305 14.657 ( 1.049 0.606 1.570) 1.983 16.042 ( -2.489 -1.437 -6.897) 7.472 17.626 ( -0.530 -0.306 0.097) 0.620 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 9.619 5.554 7.827) 13.588 0.935 ( 8.284 4.783 10.637) 14.306 1.573 ( 13.107 7.567 10.431) 18.381 1.701 ( 5.508 3.180 9.435) 11.378 1.882 ( -1.059 -0.611 -2.577) 2.852 1.989 ( -3.752 -2.166 -3.256) 5.419 2.156 ( -6.511 -3.759 0.492) 7.534 2.226 ( 4.022 2.322 -1.343) 4.835 2.270 ( 7.279 4.202 -0.351) 8.412 2.542 ( -3.375 -1.949 5.140) 6.450 2.595 ( 1.679 0.970 -1.523) 2.466 2.794 ( 1.830 1.056 -12.450) 12.628 3.826 ( -3.346 -1.932 -14.980) 15.470 4.050 ( 2.469 1.425 -13.373) 13.673 4.525 ( 5.960 3.441 -4.181) 8.052 5.366 ( -9.155 -5.286 19.723) 22.377 6.023 ( 1.924 1.111 2.011) 2.997 6.903 ( 8.356 4.824 -5.532) 11.122 7.075 ( -3.686 -2.128 4.250) 6.015 7.191 ( -0.645 -0.373 1.507) 1.682 7.406 ( 0.830 0.479 -1.862) 2.094 14.263 ( -0.191 -0.110 -2.922) 2.931 14.281 ( -8.811 -5.087 8.611) 13.328 14.675 ( 0.344 0.199 1.399) 1.454 14.737 ( 11.029 6.368 -6.016) 14.085 15.956 ( -4.266 -2.463 -10.023) 11.168 17.610 ( -0.768 -0.444 -0.197) 0.909 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 11.663 6.734 4.399) 14.168 1.129 ( 7.128 4.115 6.993) 10.800 1.814 ( 3.734 2.156 5.951) 7.349 1.825 ( 3.745 2.162 1.329) 4.524 1.845 ( -2.755 -1.591 -1.506) 3.520 1.875 ( -4.770 -2.754 -1.866) 5.815 2.022 ( -0.432 -0.249 1.546) 1.625 2.356 ( 5.359 3.094 1.481) 6.363 2.386 ( -1.896 -1.095 6.894) 7.233 2.510 ( 5.797 3.347 -3.512) 7.560 2.623 ( 0.718 0.415 -1.488) 1.703 2.826 ( -0.005 -0.003 -7.743) 7.743 3.747 ( -2.898 -1.673 -15.456) 15.815 4.101 ( 1.550 0.895 -13.725) 13.841 4.667 ( 5.313 3.067 -4.297) 7.490 5.200 ( -4.922 -2.842 20.834) 21.596 6.084 ( 2.957 1.707 1.773) 3.847 6.972 ( -4.502 -2.599 4.529) 6.895 7.054 ( 3.747 2.163 -1.562) 4.600 7.161 ( -1.061 -0.612 -3.721) 3.918 7.438 ( 1.631 0.942 1.468) 2.388 14.095 ( -6.127 -3.537 9.669) 11.981 14.270 ( 0.803 0.463 -3.134) 3.268 14.672 ( -0.605 -0.349 1.521) 1.674 14.966 ( 7.140 4.122 -3.891) 9.116 15.858 ( -3.166 -1.828 -13.054) 13.557 17.591 ( -0.728 -0.420 -0.529) 0.993 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 1.601 0.924 3.946) 4.357 1.349 ( 9.026 5.211 5.668) 11.864 1.668 ( -9.233 -5.330 -4.677) 11.642 1.790 ( -1.493 -0.862 -1.570) 2.332 1.796 ( -2.001 -1.156 -0.530) 2.371 1.889 ( 2.448 1.413 5.580) 6.255 2.162 ( 6.340 3.660 1.846) 7.550 2.351 ( -0.088 -0.051 3.864) 3.865 2.429 ( -0.124 -0.072 2.337) 2.342 2.643 ( 1.053 0.608 -0.904) 1.515 2.659 ( 4.566 2.636 -2.728) 5.936 2.792 ( -2.163 -1.249 -4.384) 5.046 3.701 ( -0.523 -0.302 -15.604) 15.616 4.119 ( -0.155 -0.089 -14.016) 14.017 4.763 ( 2.264 1.307 -4.370) 5.092 5.118 ( -1.845 -1.065 21.390) 21.496 6.152 ( 2.135 1.232 1.458) 2.864 6.877 ( -2.796 -1.614 4.858) 5.833 7.052 ( -2.730 -1.576 1.689) 3.576 7.188 ( 2.464 1.423 -7.605) 8.120 7.475 ( 1.216 0.702 3.202) 3.497 13.997 ( -1.820 -1.051 10.074) 10.291 14.299 ( 1.432 0.827 -3.566) 3.930 14.648 ( -1.271 -0.734 1.915) 2.413 15.052 ( -0.304 -0.175 -2.628) 2.652 15.833 ( 1.296 0.748 -14.639) 14.715 17.577 ( -0.350 -0.202 -0.723) 0.828 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -4.722 -2.726 3.071) 6.258 1.305 ( -11.101 -6.409 2.888) 13.140 1.656 ( 6.611 3.817 0.068) 7.634 1.783 ( 1.573 0.908 -1.647) 2.452 1.803 ( 1.799 1.038 -2.406) 3.179 1.936 ( 1.232 0.711 7.097) 7.238 2.253 ( 0.866 0.500 3.908) 4.034 2.329 ( -2.915 -1.683 2.548) 4.222 2.363 ( -4.343 -2.507 1.678) 5.288 2.653 ( -0.619 -0.357 -1.118) 1.326 2.684 ( -1.941 -1.121 -4.473) 5.003 2.789 ( 2.161 1.248 -4.077) 4.781 3.728 ( 2.539 1.466 -14.920) 15.205 4.095 ( -1.640 -0.947 -14.030) 14.157 4.768 ( -1.833 -1.058 -4.335) 4.824 5.111 ( 1.304 0.753 21.584) 21.637 6.167 ( -0.957 -0.552 1.440) 1.815 6.859 ( 1.474 0.851 4.856) 5.146 6.969 ( -3.916 -2.261 -0.442) 4.543 7.246 ( 2.276 1.314 -6.309) 6.835 7.488 ( -0.363 -0.210 3.853) 3.876 14.010 ( 2.847 1.644 10.210) 10.726 14.333 ( 1.280 0.739 -3.965) 4.231 14.616 ( -1.225 -0.708 2.343) 2.737 14.974 ( -5.327 -3.076 -3.326) 6.993 15.899 ( 3.415 1.972 -14.121) 14.661 17.576 ( 0.277 0.160 -0.693) 0.763 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -11.329 -6.541 3.627) 13.575 1.050 ( -7.106 -4.103 5.002) 9.610 1.753 ( 0.922 0.532 3.821) 3.967 1.846 ( 1.558 0.900 -4.502) 4.848 1.890 ( 5.010 2.892 -1.638) 6.012 1.914 ( -4.023 -2.323 9.820) 10.863 2.140 ( -6.683 -3.859 4.197) 8.785 2.278 ( -1.367 -0.789 0.766) 1.754 2.293 ( -0.787 -0.454 3.710) 3.820 2.604 ( -4.610 -2.661 -2.617) 5.931 2.611 ( -2.696 -1.557 -2.475) 3.977 2.855 ( 2.695 1.556 -8.715) 9.254 3.808 ( 3.739 2.159 -13.994) 14.645 4.045 ( -2.371 -1.369 -13.996) 14.261 4.680 ( -5.202 -3.004 -4.236) 7.350 5.185 ( 4.836 2.792 21.399) 22.115 6.119 ( -2.613 -1.508 1.795) 3.510 6.868 ( -4.341 -2.506 -2.296) 5.513 6.934 ( 4.158 2.401 4.467) 6.558 7.300 ( 2.155 1.244 -5.672) 6.194 7.453 ( -2.497 -1.442 3.802) 4.772 14.128 ( 6.659 3.845 9.916) 12.548 14.355 ( 0.436 0.252 -3.984) 4.016 14.594 ( -0.523 -0.302 2.444) 2.517 14.820 ( -7.132 -4.118 -4.267) 9.275 15.974 ( 2.572 1.485 -13.052) 13.386 17.590 ( 0.765 0.442 -0.464) 0.998 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -7.585 -4.379 9.601) 12.995 0.872 ( -7.193 -4.153 8.587) 11.946 1.616 ( -12.582 -7.264 11.689) 18.647 1.751 ( -8.089 -4.670 10.944) 14.388 1.879 ( 1.204 0.695 -5.306) 5.485 1.934 ( 1.647 0.951 -0.108) 1.905 2.135 ( 1.641 0.948 -2.655) 3.262 2.268 ( 0.822 0.475 1.630) 1.886 2.304 ( 2.702 1.560 0.620) 3.181 2.487 ( -4.198 -2.423 1.234) 5.002 2.531 ( -3.809 -2.199 -3.560) 5.658 2.891 ( -0.124 -0.072 -10.510) 10.511 3.893 ( 3.001 1.733 -13.541) 13.977 3.987 ( -2.275 -1.313 -14.071) 14.314 4.535 ( -6.224 -3.593 -4.168) 8.308 5.356 ( 9.551 5.514 20.289) 23.092 6.058 ( -2.225 -1.285 2.076) 3.303 6.757 ( -5.030 -2.904 -3.970) 7.035 7.038 ( 4.071 2.350 4.155) 6.274 7.338 ( -0.905 -0.522 -2.375) 2.594 7.377 ( -1.965 -1.134 0.361) 2.297 14.313 ( 7.905 4.564 8.114) 12.213 14.354 ( -0.432 -0.249 -3.690) 3.723 14.591 ( 0.235 0.136 2.247) 2.263 14.637 ( -7.586 -4.380 -4.793) 9.986 16.023 ( 1.575 0.909 -10.918) 11.069 17.610 ( 0.814 0.470 -0.156) 0.953 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -1.508 -0.871 16.089) 16.182 0.721 ( -4.757 -2.746 13.107) 14.211 1.275 ( -13.336 -7.700 18.214) 23.851 1.574 ( -5.715 -3.300 12.509) 14.143 1.910 ( 1.471 0.849 -5.619) 5.870 1.993 ( 1.813 1.047 -0.329) 2.119 2.073 ( -2.717 -1.569 -3.237) 4.508 2.324 ( -0.885 -0.511 -3.058) 3.225 2.382 ( 3.397 1.961 -0.038) 3.923 2.431 ( -4.251 -2.454 -3.995) 6.329 2.454 ( 2.585 1.492 2.871) 4.141 2.847 ( -2.984 -1.723 -6.707) 7.541 3.945 ( -0.956 -0.552 -14.182) 14.225 3.946 ( 1.180 0.682 -13.589) 13.658 4.402 ( -4.215 -2.434 -4.139) 6.389 5.663 ( 15.746 9.091 14.895) 23.504 6.014 ( -1.353 -0.781 2.198) 2.697 6.594 ( -9.403 -5.429 -3.872) 11.527 7.120 ( 2.565 1.481 4.014) 4.988 7.228 ( -4.988 -2.880 3.308) 6.642 7.396 ( 1.114 0.643 -4.999) 5.162 14.336 ( -1.022 -0.590 -3.460) 3.655 14.381 ( -4.812 -2.778 -2.882) 6.259 14.567 ( 4.255 2.457 2.951) 5.732 14.604 ( 0.814 0.470 2.087) 2.289 16.055 ( 1.066 0.615 -7.310) 7.413 17.626 ( 0.520 0.300 0.102) 0.609 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 4.574 6.482 10.467) 13.134 0.869 ( 6.957 7.356 10.685) 14.720 1.500 ( 5.961 13.905 12.887) 19.874 1.686 ( 3.064 8.125 10.955) 13.979 1.877 ( -0.792 -1.874 -3.357) 3.926 2.040 ( 6.543 -1.037 -1.433) 6.778 2.075 ( -3.616 -0.681 -3.497) 5.076 2.228 ( -4.780 -2.535 0.553) 5.439 2.348 ( -2.010 5.764 -1.078) 6.199 2.463 ( 4.078 -5.089 1.201) 6.632 2.565 ( 4.644 2.536 -0.125) 5.292 2.843 ( -3.043 2.793 -10.789) 11.553 3.878 ( -3.504 -0.918 -14.411) 14.860 4.005 ( 3.059 0.413 -13.470) 13.819 4.492 ( 3.115 6.100 -4.179) 8.024 5.428 ( -5.999 -11.059 19.239) 22.988 6.028 ( -0.082 2.504 2.142) 3.296 6.773 ( 7.846 3.827 -4.450) 9.798 7.080 ( -0.496 -3.486 3.226) 4.775 7.267 ( -2.689 5.271 2.405) 6.387 7.388 ( 0.776 -0.950 -3.366) 3.582 14.294 ( -2.865 0.669 -2.292) 3.730 14.363 ( -6.003 -6.625 7.476) 11.653 14.586 ( 5.332 1.843 -3.355) 6.564 14.676 ( 5.919 4.591 -1.272) 7.598 16.007 ( -3.434 -1.825 -9.535) 10.298 17.615 ( -0.442 -0.762 -0.091) 0.886 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 9.009 7.512 5.616) 13.005 1.095 ( 7.418 9.653 7.127) 14.107 1.722 ( 5.628 4.775 4.819) 8.815 1.835 ( 0.658 4.133 2.805) 5.038 1.839 ( 1.226 1.300 3.166) 3.635 1.969 ( -4.619 0.172 -1.023) 4.735 2.093 ( -7.130 -1.527 0.192) 7.294 2.196 ( 10.672 -0.883 -0.135) 10.709 2.389 ( 0.254 -2.443 3.964) 4.663 2.496 ( 2.127 4.919 -1.745) 5.636 2.624 ( 0.567 1.063 0.661) 1.374 2.831 ( -0.653 0.958 -10.742) 10.804 3.804 ( -3.759 -0.120 -14.987) 15.451 4.060 ( 2.796 -0.383 -13.561) 13.852 4.626 ( 4.195 5.732 -4.249) 8.277 5.247 ( -4.448 -5.385 20.469) 21.628 6.072 ( 1.460 3.350 2.084) 4.207 6.874 ( 3.001 -6.180 1.186) 6.972 7.073 ( 2.174 1.830 -2.469) 3.764 7.241 ( -4.816 3.653 0.711) 6.086 7.407 ( 1.836 -0.214 0.424) 1.896 14.160 ( -6.155 -6.054 9.344) 12.722 14.286 ( -1.243 1.937 -2.463) 3.371 14.630 ( 2.144 -3.221 0.548) 3.908 14.903 ( 8.211 8.449 -4.715) 12.690 15.903 ( -4.726 -2.776 -11.672) 12.894 17.597 ( -0.581 -0.792 -0.415) 1.067 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 7.909 5.474 4.425) 10.588 1.319 ( 4.756 10.647 4.285) 12.423 1.712 ( -4.365 -7.041 -2.335) 8.607 1.786 ( 0.497 -2.059 0.417) 2.159 1.893 ( -6.922 -0.109 1.607) 7.107 1.934 ( -2.673 6.882 1.150) 7.472 2.064 ( 5.907 2.216 2.488) 6.782 2.356 ( 0.654 -0.704 2.622) 2.793 2.371 ( 6.405 0.175 3.496) 7.300 2.593 ( 3.005 2.308 -2.296) 4.431 2.642 ( 0.810 0.827 0.099) 1.161 2.813 ( -1.512 -1.100 -6.780) 7.033 3.750 ( -3.039 2.135 -15.338) 15.781 4.092 ( 1.794 -1.710 -13.923) 14.142 4.743 ( 2.717 3.749 -4.035) 6.141 5.146 ( -2.544 -1.998 20.582) 20.834 6.144 ( 1.818 3.958 1.928) 4.763 6.803 ( 0.510 -9.726 3.930) 10.502 7.157 ( 2.819 3.030 -5.052) 6.530 7.180 ( -5.785 3.416 0.149) 6.720 7.442 ( 2.239 -0.598 2.716) 3.570 14.020 ( -3.283 -3.453 10.086) 11.155 14.301 ( 0.149 2.321 -2.882) 3.703 14.618 ( 0.969 -4.066 1.014) 4.302 15.092 ( 2.087 7.680 -3.684) 8.769 15.807 ( -1.127 -3.500 -13.430) 13.924 17.580 ( -0.390 -0.646 -0.696) 1.027 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -2.700 4.277 2.845) 5.803 1.407 ( -5.302 -2.210 5.064) 7.657 1.614 ( 1.546 2.710 -4.454) 5.438 1.756 ( -0.643 -1.609 -0.963) 1.982 1.815 ( 0.114 1.461 2.975) 3.317 1.971 ( -1.559 6.313 2.592) 7.000 2.176 ( 5.556 -2.292 2.286) 6.430 2.342 ( -2.781 -1.702 2.193) 3.929 2.424 ( -0.528 0.315 1.999) 2.091 2.641 ( 0.900 -0.846 -0.149) 1.244 2.675 ( 1.992 -1.337 -1.859) 3.035 2.773 ( -0.304 -0.143 -5.282) 5.292 3.745 ( -1.145 4.111 -15.123) 15.714 4.088 ( 0.409 -2.633 -14.098) 14.347 4.791 ( -0.452 1.178 -3.624) 3.837 5.110 ( -0.443 0.276 20.412) 20.419 6.195 ( -0.853 2.849 1.763) 3.458 6.737 ( 3.650 -8.487 4.094) 10.105 7.107 ( -6.216 3.704 -0.570) 7.259 7.227 ( 1.841 2.479 -4.889) 5.782 7.467 ( 1.468 -1.489 3.768) 4.309 13.976 ( 1.055 -0.911 10.307) 10.401 14.332 ( 0.410 2.206 -3.226) 3.930 14.588 ( 0.751 -4.191 1.321) 4.458 15.114 ( -7.016 5.635 -3.617) 9.698 15.813 ( 5.044 -2.845 -13.670) 14.846 17.572 ( 0.128 -0.309 -0.791) 0.859 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -11.514 -4.016 2.928) 12.541 1.209 ( -10.114 2.588 3.177) 10.913 1.720 ( 2.802 1.988 0.134) 3.438 1.781 ( 5.735 -0.929 -1.887) 6.108 1.879 ( 1.226 4.779 1.683) 5.213 1.996 ( -3.218 5.276 5.740) 8.434 2.196 ( -2.330 -7.800 1.912) 8.362 2.230 ( -0.501 -2.372 2.071) 3.189 2.360 ( -5.447 -0.662 3.314) 6.410 2.629 ( -1.010 -1.808 -2.250) 3.058 2.650 ( -1.664 -1.348 -1.511) 2.621 2.815 ( 2.637 1.058 -7.113) 7.660 3.788 ( 1.191 3.334 -14.476) 14.903 4.058 ( -0.777 -2.137 -14.051) 14.234 4.750 ( -4.275 -0.637 -3.962) 5.863 5.137 ( 2.590 1.405 20.829) 21.036 6.165 ( -3.599 0.077 1.950) 4.094 6.763 ( 6.090 -4.853 3.108) 8.384 7.040 ( -5.566 4.524 -1.018) 7.245 7.281 ( 1.637 1.913 -4.762) 5.386 7.457 ( -0.347 -2.599 4.142) 4.903 14.037 ( 5.488 0.767 10.234) 11.638 14.351 ( -0.065 0.483 -3.170) 3.208 14.568 ( 1.114 -2.505 1.178) 2.984 14.995 ( -10.622 3.947 -4.130) 12.060 15.893 ( 5.802 -2.275 -13.029) 14.443 17.578 ( 0.724 0.045 -0.658) 0.979 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -11.467 -1.851 5.411) 12.814 1.041 ( -11.195 2.499 6.342) 13.107 1.730 ( -4.187 -1.877 4.007) 6.092 1.845 ( -1.000 -1.762 4.250) 4.708 1.878 ( -4.760 -1.396 2.662) 5.630 1.977 ( -0.925 5.759 0.627) 5.866 2.077 ( -0.747 -1.808 0.456) 2.009 2.216 ( 1.797 -5.304 0.901) 5.672 2.320 ( 0.924 3.688 2.159) 4.372 2.537 ( -5.864 -3.037 -2.095) 6.928 2.610 ( -2.734 0.965 0.017) 2.899 2.861 ( 1.838 -1.050 -10.633) 10.841 3.845 ( 2.627 0.202 -14.139) 14.383 4.023 ( -1.685 0.111 -13.833) 13.936 4.633 ( -6.971 -1.348 -4.215) 8.257 5.239 ( 6.836 1.855 20.812) 21.984 6.092 ( -3.325 -1.211 2.122) 4.126 6.809 ( 0.624 -0.158 -0.375) 0.745 7.022 ( -0.624 3.640 0.710) 3.760 7.322 ( 1.219 -0.161 -3.995) 4.180 7.403 ( -2.120 -2.392 3.288) 4.585 14.179 ( 8.720 0.715 9.334) 12.793 14.340 ( -0.063 -2.119 -2.464) 3.251 14.576 ( 0.780 0.548 0.381) 1.027 14.830 ( -11.385 3.402 -4.287) 12.632 15.962 ( 4.321 -2.263 -11.959) 12.916 17.596 ( 1.004 0.163 -0.382) 1.086 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 5.878 9.572 3.771) 11.849 1.295 ( 9.347 8.511 3.821) 13.206 1.738 ( -4.543 -4.245 -0.321) 6.226 1.759 ( 0.051 -1.734 -2.041) 2.678 1.945 ( 1.209 -0.633 6.064) 6.215 2.041 ( -3.473 4.945 2.865) 6.688 2.105 ( -2.771 3.250 1.884) 4.668 2.193 ( 7.827 0.364 -1.445) 7.968 2.354 ( 1.686 2.080 3.950) 4.772 2.595 ( 0.094 2.396 -2.128) 3.206 2.637 ( 0.058 0.198 1.260) 1.277 2.825 ( -0.973 -1.311 -8.627) 8.780 3.817 ( -0.991 1.170 -14.738) 14.817 4.042 ( 0.908 -1.114 -13.943) 14.016 4.741 ( 2.450 4.670 -3.720) 6.454 5.157 ( -1.397 -2.950 20.026) 20.291 6.159 ( 1.963 4.859 2.401) 5.765 6.723 ( -2.734 -7.478 3.190) 8.578 7.116 ( 4.360 2.216 -4.422) 6.593 7.296 ( -2.117 1.014 -1.029) 2.563 7.407 ( -0.156 0.419 3.628) 3.655 14.039 ( -3.546 -5.092 10.207) 11.945 14.335 ( -0.661 2.483 -2.080) 3.306 14.560 ( 0.331 -3.150 -0.008) 3.167 15.083 ( 8.597 8.609 -5.005) 13.156 15.829 ( -5.814 -4.413 -12.065) 14.101 17.579 ( -0.420 -0.802 -0.675) 1.130 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 4.449 7.034 3.549) 9.048 1.496 ( 0.262 3.824 2.471) 4.560 1.598 ( -1.520 -3.043 -2.973) 4.518 1.763 ( 0.791 1.350 2.005) 2.543 1.869 ( -6.329 -1.556 2.824) 7.103 2.022 ( 2.797 -3.089 0.289) 4.176 2.136 ( -2.546 8.685 2.154) 9.303 2.353 ( 7.587 -0.385 -0.463) 7.610 2.384 ( -1.815 0.306 3.293) 3.772 2.611 ( 1.436 -0.029 -0.938) 1.715 2.630 ( 0.131 -1.335 1.152) 1.768 2.786 ( -1.425 -1.472 -6.373) 6.694 3.830 ( -1.635 5.038 -14.838) 15.755 4.033 ( 1.216 -3.737 -14.194) 14.728 4.805 ( 0.680 1.882 -1.983) 2.817 5.124 ( -0.674 -0.146 18.092) 18.105 6.251 ( 0.696 6.285 2.582) 6.830 6.596 ( 0.068 -9.703 3.693) 10.382 7.185 ( 0.677 0.919 -8.474) 8.551 7.274 ( -2.668 4.199 3.457) 6.058 7.413 ( 1.732 -2.135 3.767) 4.664 13.957 ( -0.912 -2.299 10.501) 10.789 14.362 ( -0.139 3.406 -2.018) 3.962 14.525 ( 0.542 -4.465 -0.037) 4.498 15.280 ( 0.277 9.996 -5.703) 11.512 15.696 ( -0.137 -7.244 -11.694) 13.757 17.567 ( -0.108 -0.495 -0.879) 1.014 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -9.138 -2.349 3.182) 9.957 1.413 ( -5.621 6.204 1.739) 8.550 1.647 ( 5.062 -1.856 -2.237) 5.837 1.756 ( -3.188 1.033 -0.949) 3.483 1.861 ( 4.405 3.694 6.953) 9.021 2.057 ( 4.761 -4.868 -0.880) 6.866 2.166 ( -4.392 7.951 3.419) 9.706 2.276 ( -5.827 -4.566 -0.032) 7.403 2.420 ( -0.557 -1.121 2.341) 2.655 2.613 ( 0.112 -1.251 -0.525) 1.362 2.636 ( 1.118 -1.392 0.241) 1.802 2.784 ( 1.927 0.657 -6.427) 6.741 3.840 ( -2.658 3.574 -14.657) 15.319 4.024 ( 1.803 -2.597 -14.254) 14.600 4.806 ( -1.838 0.277 -1.938) 2.685 5.123 ( 0.300 0.603 18.098) 18.111 6.258 ( -5.308 2.258 2.606) 6.329 6.587 ( 7.566 -4.460 3.586) 9.486 7.164 ( -3.490 1.702 -5.901) 7.064 7.290 ( -0.420 2.861 0.312) 2.909 7.418 ( 1.379 -2.793 4.375) 5.370 13.960 ( 2.764 -0.536 10.527) 10.897 14.376 ( -1.717 1.253 -2.010) 2.926 14.511 ( 2.405 -2.122 -0.076) 3.208 15.251 ( -11.052 6.079 -5.898) 13.925 15.723 ( 8.419 -4.720 -11.497) 15.011 17.566 ( 0.453 -0.136 -0.872) 0.992 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 -0.000 4.700) 4.700 1.534 ( -1.925 -3.850 -1.568) 4.581 1.534 ( 1.925 3.850 -1.568) 4.581 1.815 ( 0.000 -0.000 8.608) 8.608 1.901 ( -3.025 -6.050 -0.888) 6.823 1.901 ( 3.025 6.050 -0.888) 6.823 2.315 ( -0.000 -0.000 9.383) 9.383 2.334 ( -1.704 -3.407 -3.557) 5.212 2.334 ( 1.704 3.407 -3.557) 5.212 2.612 ( -0.160 -0.320 0.957) 1.022 2.612 ( 0.160 0.320 0.957) 1.022 2.766 ( -0.000 -0.000 -6.160) 6.160 3.940 ( -2.215 -4.431 -14.485) 15.309 3.940 ( 2.215 4.431 -14.485) 15.309 4.823 ( -0.000 -0.000 -0.181) 0.181 5.126 ( -0.000 -0.000 16.010) 16.010 6.406 ( -3.685 -7.371 3.269) 8.865 6.406 ( 3.685 7.371 3.269) 8.865 7.197 ( 0.000 -0.000 -9.137) 9.137 7.354 ( -1.527 -3.053 4.127) 5.356 7.354 ( 1.527 3.053 4.127) 5.356 13.931 ( -0.000 -0.000 10.649) 10.649 14.438 ( -1.644 -3.288 -1.040) 3.820 14.438 ( 1.644 3.288 -1.040) 3.820 15.503 ( -4.884 -9.768 -8.774) 14.009 15.503 ( 4.884 9.768 -8.774) 14.009 17.561 ( -0.000 -0.000 -0.966) 0.966 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -0.000 0.000 16.295) 16.295 1.005 ( 0.000 -0.000 16.295) 16.295 1.518 ( 0.000 0.000 17.886) 17.886 1.778 ( 0.000 -0.000 12.482) 12.482 1.881 ( 0.000 0.000 -1.217) 1.217 1.881 ( 0.000 0.000 -1.217) 1.217 2.163 ( 0.000 -0.000 4.234) 4.234 2.227 ( 0.000 -0.000 -5.132) 5.132 2.227 ( 0.000 0.000 -5.132) 5.132 2.443 ( -0.000 -0.000 -1.374) 1.374 2.443 ( 0.000 0.000 -1.374) 1.374 2.759 ( 0.000 -0.000 -3.324) 3.324 3.612 ( 0.000 0.000 -17.414) 17.414 3.612 ( 0.000 -0.000 -17.414) 17.414 4.254 ( 0.000 0.000 -4.719) 4.719 6.037 ( -0.000 -0.000 1.947) 1.947 6.037 ( 0.000 -0.000 1.947) 1.947 6.478 ( 0.000 0.000 6.878) 6.878 7.242 ( 0.000 0.000 3.809) 3.809 7.242 ( 0.000 -0.000 3.809) 3.809 7.277 ( 0.000 0.000 -7.461) 7.461 14.244 ( 0.000 0.000 -2.681) 2.681 14.244 ( 0.000 0.000 -2.681) 2.681 14.663 ( -0.000 0.000 1.319) 1.319 14.663 ( 0.000 0.000 1.319) 1.319 15.963 ( 0.000 -0.000 -4.893) 4.893 17.636 ( 0.000 -0.000 0.036) 0.036 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.218 -0.126 15.897) 15.899 1.070 ( 3.784 2.185 15.560) 16.162 1.605 ( 6.272 3.621 14.420) 16.137 1.811 ( 2.211 1.276 9.717) 10.047 1.860 ( -0.195 -0.113 -0.132) 0.262 1.949 ( 2.705 1.562 -0.404) 3.150 2.138 ( 1.804 1.041 1.373) 2.495 2.156 ( -0.987 -0.570 -2.550) 2.793 2.323 ( -4.886 -2.821 -1.586) 5.861 2.433 ( 7.559 4.364 -3.343) 9.347 2.502 ( 2.229 1.287 -2.403) 3.522 2.716 ( -3.610 -2.084 -2.824) 5.035 3.560 ( -2.881 -1.663 -17.442) 17.756 3.666 ( 2.760 1.594 -16.909) 17.207 4.304 ( 3.880 2.240 -4.792) 6.560 5.915 ( -7.785 -4.495 9.445) 13.039 6.038 ( 0.594 0.343 2.069) 2.179 6.600 ( 7.944 4.587 0.324) 9.179 7.216 ( -1.749 -1.010 -2.655) 3.336 7.226 ( -1.738 -1.003 3.691) 4.201 7.322 ( 3.315 1.914 -0.552) 3.868 14.222 ( -0.772 -0.446 -2.238) 2.409 14.363 ( 8.253 4.765 -4.297) 10.454 14.587 ( -5.077 -2.931 3.287) 6.721 14.683 ( 0.748 0.432 0.864) 1.221 15.910 ( -4.223 -2.438 -5.567) 7.401 17.627 ( -0.685 -0.395 -0.038) 0.792 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 4.353 2.513 12.057) 13.063 1.181 ( 5.053 2.917 12.676) 13.954 1.767 ( 5.557 3.208 6.302) 8.994 1.852 ( 0.316 0.183 2.656) 2.681 1.864 ( 1.082 0.625 2.776) 3.044 1.956 ( -1.105 -0.638 2.095) 2.453 2.159 ( -6.984 -4.032 -0.149) 8.066 2.243 ( 7.448 4.300 3.013) 9.113 2.268 ( 7.403 4.274 -0.669) 8.575 2.547 ( 1.405 0.811 -3.072) 3.474 2.574 ( -2.187 -1.263 -6.112) 6.613 2.638 ( 3.071 1.773 1.640) 3.907 3.478 ( -3.737 -2.158 -17.564) 18.086 3.732 ( 2.445 1.412 -16.456) 16.697 4.427 ( 5.873 3.391 -4.899) 8.366 5.740 ( -6.118 -3.532 16.187) 17.661 6.067 ( 1.813 1.047 2.073) 2.947 6.791 ( 7.111 4.105 -5.315) 9.781 7.160 ( -3.551 -2.050 3.698) 5.522 7.167 ( -2.178 -1.258 -3.622) 4.409 7.411 ( 3.738 2.158 2.197) 4.843 14.210 ( -0.209 -0.121 -2.045) 2.059 14.432 ( -6.509 -3.758 5.294) 9.193 14.614 ( 10.992 6.346 -4.964) 13.628 14.696 ( 0.274 0.158 0.594) 0.673 15.774 ( -6.633 -3.830 -7.285) 10.570 17.605 ( -1.054 -0.609 -0.268) 1.246 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 8.556 4.940 6.023) 11.571 1.296 ( 3.898 2.250 8.836) 9.917 1.806 ( -2.363 -1.364 -0.579) 2.789 1.808 ( -2.853 -1.647 -1.835) 3.771 1.859 ( -4.938 -2.851 -0.415) 5.717 1.967 ( 1.656 0.956 6.376) 6.656 2.074 ( 3.212 1.854 3.932) 5.405 2.432 ( 1.076 0.621 -3.691) 3.895 2.439 ( 7.205 4.160 5.728) 10.101 2.506 ( 3.437 1.984 4.144) 5.737 2.570 ( 0.789 0.455 -3.594) 3.708 2.736 ( 2.609 1.506 -1.080) 3.200 3.387 ( -3.503 -2.022 -18.247) 18.690 3.778 ( 1.255 0.725 -16.540) 16.603 4.567 ( 5.214 3.011 -5.010) 7.833 5.623 ( -3.571 -2.062 19.450) 19.883 6.124 ( 2.695 1.556 1.889) 3.640 6.927 ( 3.780 2.182 -9.525) 10.477 7.062 ( -4.221 -2.437 3.894) 6.239 7.119 ( -1.554 -0.897 -1.055) 2.082 7.494 ( 3.016 1.741 3.435) 4.891 14.214 ( 0.495 0.286 -2.221) 2.293 14.285 ( -5.081 -2.934 7.943) 9.875 14.695 ( -0.372 -0.215 0.667) 0.794 14.866 ( 8.782 5.070 -5.237) 11.413 15.614 ( -5.833 -3.368 -9.802) 11.893 17.579 ( -0.976 -0.564 -0.562) 1.260 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.584 -0.337 5.168) 5.212 1.418 ( 10.110 5.837 1.599) 11.783 1.603 ( -10.845 -6.261 -1.756) 12.646 1.763 ( -0.498 -0.288 0.118) 0.587 1.790 ( -1.850 -1.068 0.000) 2.136 2.017 ( 2.381 1.375 6.241) 6.820 2.205 ( 5.797 3.347 2.263) 7.066 2.397 ( -1.500 -0.866 0.931) 1.966 2.505 ( -1.432 -0.827 2.322) 2.850 2.626 ( 2.732 1.577 1.206) 3.377 2.642 ( 4.042 2.334 1.131) 4.803 2.756 ( -0.519 -0.300 0.306) 0.673 3.331 ( -0.507 -0.293 -19.254) 19.263 3.790 ( -0.286 -0.165 -16.770) 16.774 4.661 ( 2.211 1.276 -5.120) 5.721 5.565 ( -1.259 -0.727 20.935) 20.985 6.184 ( 1.847 1.067 1.527) 2.624 6.960 ( -1.095 -0.632 -11.140) 11.211 6.975 ( -2.500 -1.443 4.275) 5.158 7.107 ( 0.741 0.428 0.541) 1.012 7.553 ( 1.661 0.959 3.869) 4.318 14.202 ( -1.496 -0.864 8.992) 9.157 14.232 ( 0.972 0.561 -2.709) 2.932 14.679 ( -0.838 -0.484 1.073) 1.445 14.988 ( 0.483 0.279 -3.209) 3.257 15.536 ( 0.164 0.095 -12.946) 12.947 17.561 ( -0.426 -0.246 -0.745) 0.893 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -3.890 -2.246 4.603) 6.432 1.345 ( -9.788 -5.651 2.251) 11.525 1.658 ( 9.119 5.265 -1.763) 10.676 1.767 ( 0.419 0.242 0.913) 1.034 1.773 ( 0.843 0.487 0.689) 1.193 2.077 ( 2.327 1.343 6.059) 6.628 2.320 ( 2.404 1.388 1.846) 3.334 2.350 ( -2.285 -1.319 0.451) 2.676 2.430 ( -4.297 -2.481 2.761) 5.678 2.630 ( -2.286 -1.320 -0.005) 2.640 2.640 ( -3.217 -1.858 0.643) 3.770 2.758 ( 0.291 0.168 0.367) 0.498 3.373 ( 3.600 2.079 -18.400) 18.864 3.767 ( -1.539 -0.888 -16.734) 16.828 4.666 ( -1.817 -1.049 -5.191) 5.599 5.563 ( 1.131 0.653 21.185) 21.226 6.197 ( -0.878 -0.507 1.291) 1.642 6.897 ( -3.641 -2.102 -7.574) 8.663 6.960 ( 1.394 0.805 4.537) 4.814 7.140 ( 1.660 0.958 -2.778) 3.375 7.569 ( -0.447 -0.258 3.700) 3.735 14.216 ( 2.535 1.464 8.890) 9.359 14.256 ( 0.942 0.544 -3.268) 3.444 14.658 ( -0.856 -0.494 1.606) 1.886 14.910 ( -5.794 -3.345 -2.584) 7.172 15.601 ( 4.134 2.387 -13.513) 14.332 17.561 ( 0.399 0.230 -0.720) 0.855 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -6.048 -3.492 8.920) 11.329 1.174 ( -4.481 -2.587 6.973) 8.683 1.790 ( 0.554 0.320 0.044) 0.641 1.797 ( 3.139 1.812 -1.979) 4.130 1.860 ( 5.573 3.218 0.414) 6.449 2.099 ( -1.687 -0.974 6.996) 7.262 2.217 ( -6.789 -3.920 3.276) 8.497 2.331 ( -2.587 -1.494 3.665) 4.729 2.345 ( -1.949 -1.125 1.237) 2.568 2.544 ( -4.267 -2.464 -3.487) 6.036 2.567 ( -2.182 -1.260 -0.824) 2.651 2.744 ( -1.043 -0.602 -1.900) 2.250 3.476 ( 4.385 2.532 -17.148) 17.880 3.719 ( -2.288 -1.321 -16.487) 16.697 4.578 ( -5.138 -2.966 -5.180) 7.875 5.620 ( 3.617 2.088 19.996) 20.427 6.153 ( -2.373 -1.370 1.394) 3.074 6.796 ( -4.434 -2.560 -5.145) 7.258 7.030 ( 3.899 2.251 4.441) 6.324 7.183 ( 1.829 1.056 -5.003) 5.430 7.528 ( -2.908 -1.679 3.231) 4.660 14.274 ( 0.443 0.256 -3.584) 3.620 14.315 ( 5.285 3.051 7.462) 9.639 14.641 ( -0.453 -0.262 1.966) 2.035 14.743 ( -7.636 -4.409 -2.894) 9.280 15.706 ( 4.395 2.537 -11.756) 12.804 17.579 ( 1.006 0.581 -0.525) 1.275 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.981 -1.144 15.586) 15.753 1.072 ( -3.684 -2.127 10.600) 11.422 1.802 ( 0.425 0.245 -0.275) 0.562 1.829 ( -5.855 -3.380 7.935) 10.425 1.912 ( 2.832 1.635 -2.681) 4.228 1.988 ( -6.050 -3.493 9.683) 11.940 2.090 ( -3.341 -1.929 -0.655) 3.913 2.289 ( -0.704 -0.406 1.285) 1.521 2.329 ( 1.597 0.922 1.728) 2.527 2.436 ( -4.467 -2.579 -5.266) 7.371 2.512 ( -2.648 -1.529 0.239) 3.067 2.730 ( 0.031 0.018 -5.032) 5.032 3.569 ( 3.056 1.764 -16.890) 17.255 3.660 ( -2.448 -1.413 -16.485) 16.726 4.436 ( -6.128 -3.538 -5.057) 8.697 5.739 ( 6.128 3.538 16.507) 17.960 6.097 ( -2.052 -1.185 1.590) 2.854 6.687 ( -4.566 -2.636 -2.981) 6.057 7.128 ( 3.870 2.234 4.219) 6.146 7.225 ( 1.511 0.873 -6.306) 6.543 7.432 ( -4.779 -2.759 2.891) 6.230 14.277 ( -0.203 -0.117 -3.516) 3.524 14.427 ( 0.989 0.571 1.917) 2.231 14.575 ( -3.461 -1.998 -0.304) 4.008 14.637 ( 0.094 0.054 1.994) 1.997 15.815 ( 4.508 2.603 -8.623) 10.072 17.605 ( 1.067 0.616 -0.260) 1.259 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -1.505 -0.869 14.259) 14.364 1.030 ( -0.627 -0.362 17.663) 17.678 1.621 ( -7.943 -4.586 14.316) 17.002 1.805 ( -0.804 -0.464 5.073) 5.157 1.869 ( -2.392 -1.381 5.931) 6.543 1.973 ( -4.703 -2.715 -0.781) 5.486 2.030 ( 5.337 3.081 -1.833) 6.430 2.286 ( -2.066 -1.193 0.132) 2.389 2.325 ( -4.090 -2.361 -5.757) 7.446 2.384 ( 2.167 1.251 0.009) 2.502 2.467 ( -0.446 -0.257 -1.100) 1.215 2.741 ( 0.848 0.490 -4.283) 4.394 3.612 ( -1.230 -0.710 -17.033) 17.092 3.618 ( 0.915 0.528 -17.164) 17.196 4.306 ( -4.096 -2.365 -4.839) 6.766 5.910 ( 7.509 4.335 9.368) 12.765 6.057 ( -1.242 -0.717 1.775) 2.282 6.570 ( -5.173 -2.987 1.177) 6.088 7.207 ( 2.435 1.406 3.998) 4.888 7.249 ( 0.337 0.194 -5.408) 5.422 7.319 ( -3.762 -2.172 1.588) 4.625 14.265 ( -0.718 -0.415 -3.166) 3.272 14.312 ( -5.782 -3.338 -3.033) 7.334 14.627 ( 3.395 1.960 2.289) 4.539 14.645 ( 0.568 0.328 1.746) 1.865 15.916 ( 3.501 2.021 -5.819) 7.086 17.627 ( 0.670 0.387 -0.041) 0.774 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.537 2.683 14.073) 14.337 1.123 ( 5.478 3.103 13.630) 15.014 1.735 ( 1.378 5.887 8.088) 10.098 1.825 ( 1.448 1.369 1.836) 2.709 1.913 ( 0.145 4.297 7.489) 8.635 1.998 ( -2.629 0.576 -3.332) 4.283 2.052 ( 7.457 0.160 2.768) 7.956 2.238 ( -4.878 -2.024 0.691) 5.326 2.336 ( -1.167 7.655 -0.823) 7.787 2.436 ( 5.542 -3.355 -2.322) 6.882 2.553 ( 5.445 3.265 -2.260) 6.739 2.691 ( -4.306 -0.163 -3.741) 5.707 3.540 ( -4.176 -0.679 -17.268) 17.779 3.686 ( 3.381 0.506 -16.467) 16.818 4.394 ( 3.100 5.943 -4.951) 8.333 5.781 ( -3.870 -6.825 14.859) 16.804 6.072 ( 0.071 2.400 1.928) 3.079 6.697 ( 6.363 3.963 -2.973) 8.065 7.140 ( -2.518 -4.519 1.014) 5.272 7.247 ( -0.727 0.728 -2.690) 2.880 7.384 ( 1.673 4.100 2.551) 5.111 14.239 ( -2.058 1.355 -2.433) 3.463 14.481 ( 8.216 4.264 -3.278) 9.819 14.507 ( -5.801 -3.286 3.758) 7.654 14.683 ( 2.582 0.723 0.810) 2.801 15.830 ( -4.106 -4.775 -7.219) 9.579 17.612 ( -0.598 -1.007 -0.192) 1.187 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 5.535 4.959 9.044) 11.705 1.271 ( 5.181 5.555 9.774) 12.378 1.767 ( 0.377 -2.229 -0.351) 2.288 1.825 ( -1.028 -3.449 0.478) 3.631 1.953 ( -4.111 6.155 1.627) 7.578 2.004 ( 1.686 4.571 5.622) 7.439 2.093 ( -5.851 -1.566 0.310) 6.065 2.235 ( 10.830 0.183 2.943) 11.224 2.458 ( 2.779 -2.929 2.168) 4.583 2.474 ( 2.787 7.568 0.278) 8.069 2.616 ( -3.418 2.277 -4.845) 6.352 2.679 ( 4.537 0.951 -0.710) 4.690 3.455 ( -4.435 -0.056 -17.657) 18.206 3.741 ( 2.578 -0.452 -16.304) 16.512 4.526 ( 4.186 5.594 -5.061) 8.627 5.656 ( -3.314 -4.001 18.565) 19.278 6.116 ( 1.345 3.469 2.033) 4.240 6.838 ( 5.978 0.017 -5.189) 7.915 7.035 ( -2.712 -5.587 -1.171) 6.320 7.236 ( -2.900 3.712 -0.179) 4.714 7.456 ( 2.559 1.986 3.327) 4.644 14.228 ( -0.856 1.420 -1.883) 2.509 14.351 ( -5.816 -3.783 7.272) 10.051 14.622 ( 4.347 -3.125 -1.424) 5.540 14.810 ( 6.611 8.227 -3.614) 11.156 15.683 ( -6.059 -4.557 -8.993) 11.762 17.587 ( -0.810 -1.031 -0.455) 1.388 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 7.380 4.710 5.083) 10.123 1.404 ( 1.781 7.228 4.662) 8.784 1.669 ( -4.721 -6.618 -1.430) 8.254 1.792 ( -1.057 -2.364 -0.088) 2.591 1.883 ( -7.375 3.985 -0.717) 8.413 2.000 ( 0.171 1.506 3.638) 3.941 2.139 ( 3.837 2.840 4.453) 6.529 2.373 ( 3.751 -2.498 0.108) 4.508 2.491 ( 3.943 1.141 5.869) 7.162 2.572 ( 1.590 1.624 -0.873) 2.434 2.633 ( 1.170 3.887 0.002) 4.060 2.733 ( 1.573 -1.552 -0.788) 2.346 3.391 ( -3.631 2.621 -18.293) 18.833 3.767 ( 1.482 -1.792 -16.543) 16.706 4.643 ( 2.713 3.888 -5.159) 7.007 5.579 ( -1.746 -1.998 20.388) 20.560 6.185 ( 1.352 4.299 1.914) 4.896 6.874 ( 2.283 -9.026 2.089) 9.542 6.964 ( -0.308 -0.316 -10.583) 10.592 7.224 ( -4.077 6.130 1.916) 7.608 7.516 ( 2.685 0.175 3.869) 4.713 14.219 ( -1.718 -1.855 6.470) 6.947 14.252 ( -1.739 1.861 0.175) 2.553 14.630 ( 2.052 -4.866 0.107) 5.283 15.004 ( 3.610 7.199 -4.457) 9.204 15.543 ( -3.398 -3.496 -11.107) 12.130 17.564 ( -0.526 -0.809 -0.700) 1.192 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -3.553 3.237 4.250) 6.416 1.466 ( -7.860 -4.886 1.305) 9.346 1.556 ( 5.723 5.260 -1.307) 7.883 1.736 ( -1.256 -1.406 -0.356) 1.918 1.859 ( -2.124 6.238 1.859) 6.846 2.048 ( 2.953 1.437 4.225) 5.351 2.221 ( 4.405 -2.192 1.630) 5.183 2.367 ( -1.549 -2.018 0.670) 2.631 2.505 ( -2.494 0.869 3.748) 4.585 2.642 ( 1.482 0.223 1.110) 1.864 2.661 ( -0.504 -0.677 0.598) 1.035 2.719 ( 1.232 -2.534 -0.091) 2.819 3.389 ( -1.108 5.123 -18.267) 19.004 3.759 ( 0.377 -2.616 -16.700) 16.908 4.692 ( -0.657 1.522 -5.227) 5.483 5.551 ( 0.211 -0.500 21.068) 21.075 6.232 ( -1.310 3.422 1.655) 4.021 6.814 ( 3.230 -8.907 2.784) 9.875 6.964 ( -0.348 0.066 -10.740) 10.746 7.218 ( -3.692 6.452 1.938) 7.682 7.550 ( 1.517 -1.195 3.912) 4.363 14.188 ( 0.799 -0.567 9.306) 9.358 14.269 ( -0.273 2.809 -2.704) 3.909 14.608 ( 1.672 -5.263 0.657) 5.562 15.039 ( -6.103 4.024 -3.316) 8.027 15.528 ( 4.175 -1.228 -12.858) 13.575 17.555 ( 0.189 -0.366 -0.782) 0.883 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -9.109 -2.762 4.932) 10.720 1.296 ( -7.227 3.622 5.480) 9.766 1.723 ( 6.625 0.292 -3.576) 7.535 1.730 ( 2.390 -0.063 1.140) 2.649 1.907 ( -1.569 8.186 1.717) 8.510 2.121 ( 1.966 2.585 5.074) 6.024 2.239 ( 1.370 -6.777 0.706) 6.950 2.264 ( -3.500 -5.439 1.807) 6.715 2.445 ( -5.580 0.388 4.264) 7.034 2.598 ( -2.523 -1.600 0.188) 2.994 2.624 ( -3.052 1.476 -1.494) 3.705 2.731 ( 0.707 -2.258 -0.778) 2.491 3.445 ( 1.737 3.614 -17.584) 18.036 3.732 ( -0.619 -1.959 -16.497) 16.625 4.650 ( -4.438 -0.545 -5.249) 6.896 5.577 ( 2.534 0.569 20.700) 20.863 6.204 ( -3.788 0.763 1.628) 4.193 6.803 ( 1.895 -4.234 -0.834) 4.713 6.968 ( 1.770 0.002 -4.942) 5.249 7.227 ( -2.154 5.207 -0.142) 5.637 7.540 ( -0.714 -2.341 3.638) 4.385 14.233 ( 3.479 0.154 6.347) 7.239 14.295 ( 0.549 2.467 -0.546) 2.586 14.586 ( 1.597 -4.470 0.588) 4.783 14.918 ( -9.918 2.785 -3.036) 10.740 15.620 ( 6.059 -0.571 -12.253) 13.681 17.564 ( 0.960 0.064 -0.671) 1.173 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -6.012 -1.278 10.139) 11.856 1.202 ( -7.185 3.825 9.436) 12.462 1.757 ( 1.891 -0.690 0.385) 2.049 1.845 ( 5.388 -1.151 -2.560) 6.075 1.941 ( -3.963 5.473 2.975) 7.383 2.090 ( -5.400 -4.606 4.228) 8.261 2.121 ( -4.773 0.309 5.848) 7.554 2.221 ( 2.555 -6.819 -0.289) 7.288 2.370 ( -1.563 3.209 2.666) 4.455 2.506 ( -6.495 -1.762 -0.835) 6.781 2.599 ( -3.278 3.510 -2.628) 5.475 2.703 ( 0.347 -3.252 -3.126) 4.524 3.510 ( 3.041 -0.433 -17.224) 17.495 3.702 ( -1.639 0.492 -16.238) 16.328 4.532 ( -6.881 -1.343 -5.157) 8.703 5.655 ( 5.153 0.982 18.850) 19.566 6.133 ( -3.425 -0.805 1.759) 3.933 6.767 ( -3.650 0.799 -3.918) 5.414 7.039 ( 5.630 -0.444 0.130) 5.649 7.244 ( -0.848 2.941 -2.283) 3.818 7.476 ( -3.151 -2.724 3.313) 5.323 14.261 ( 0.337 -1.336 -2.070) 2.486 14.380 ( 5.834 1.678 6.591) 8.961 14.567 ( -0.516 -2.027 -1.226) 2.424 14.763 ( -9.381 2.746 -1.943) 9.966 15.725 ( 6.206 -0.735 -10.080) 11.860 17.587 ( 1.319 0.194 -0.440) 1.404 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 5.014 7.205 5.977) 10.620 1.391 ( 7.403 5.255 5.963) 10.862 1.695 ( -4.510 -4.241 -2.582) 6.708 1.756 ( 0.768 -2.373 0.736) 2.601 2.031 ( -1.953 -0.980 1.269) 2.527 2.086 ( -4.161 3.533 2.692) 6.086 2.118 ( -1.704 3.157 -0.216) 3.593 2.238 ( 6.599 0.117 3.768) 7.599 2.447 ( 2.929 3.255 4.788) 6.488 2.578 ( 0.546 2.051 0.091) 2.125 2.672 ( -0.656 0.206 1.938) 2.057 2.681 ( 1.867 1.573 -4.477) 5.100 3.471 ( -1.418 1.392 -17.643) 17.754 3.720 ( 0.816 -1.396 -16.249) 16.329 4.642 ( 2.619 4.944 -5.260) 7.679 5.584 ( -1.514 -2.742 20.189) 20.430 6.208 ( 2.186 5.092 2.114) 5.931 6.775 ( -0.909 -5.637 0.931) 5.785 6.966 ( -0.649 -0.873 -8.724) 8.792 7.301 ( 1.879 2.358 1.229) 3.256 7.492 ( -0.428 1.361 3.948) 4.197 14.229 ( -1.783 -2.306 5.482) 6.209 14.309 ( -1.712 0.785 1.631) 2.492 14.550 ( 0.417 -3.211 -0.960) 3.378 14.981 ( 7.454 7.844 -4.432) 11.694 15.585 ( -5.489 -4.789 -10.612) 12.872 17.565 ( -0.577 -1.028 -0.664) 1.353 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 4.492 5.681 3.993) 8.270 1.528 ( -0.674 2.024 1.017) 2.364 1.564 ( -2.447 -2.204 0.421) 3.320 1.776 ( -0.261 1.857 -0.133) 1.880 1.930 ( -2.824 0.337 1.685) 3.306 2.039 ( -1.633 -0.593 1.523) 2.310 2.170 ( 0.757 2.779 1.675) 3.332 2.339 ( 3.629 -1.366 -0.517) 3.912 2.516 ( 1.232 0.736 7.074) 7.218 2.602 ( 1.385 1.413 -0.305) 2.002 2.655 ( -0.135 -1.030 1.207) 1.593 2.701 ( -0.340 -1.195 -1.082) 1.648 3.485 ( -1.712 5.744 -17.403) 18.406 3.706 ( 1.057 -3.929 -16.509) 17.003 4.715 ( 0.730 2.631 -5.289) 5.952 5.545 ( -0.460 -1.113 20.727) 20.762 6.304 ( 0.365 6.904 2.279) 7.279 6.668 ( 0.428 -9.902 2.961) 10.344 6.967 ( 0.118 0.233 -12.174) 12.177 7.343 ( -1.972 5.131 2.992) 6.259 7.499 ( 1.605 -1.805 4.057) 4.722 14.176 ( -0.748 -1.697 9.706) 9.881 14.320 ( -0.887 4.042 -1.851) 4.533 14.518 ( 1.302 -5.410 -0.638) 5.601 15.158 ( 1.279 7.483 -5.596) 9.431 15.455 ( -1.303 -5.142 -10.638) 11.887 17.548 ( -0.147 -0.619 -0.816) 1.035 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -8.154 -1.400 3.016) 8.806 1.465 ( -3.937 4.998 3.672) 7.346 1.610 ( 4.709 -0.876 -1.379) 4.985 1.740 ( -3.034 2.286 -0.228) 3.805 1.994 ( 1.916 4.845 4.855) 7.122 2.037 ( 5.211 -4.118 -0.381) 6.653 2.186 ( -1.597 1.305 -0.508) 2.124 2.302 ( -3.811 -3.308 1.228) 5.194 2.517 ( -1.529 -0.092 5.827) 6.025 2.618 ( -1.711 -1.642 1.222) 2.668 2.652 ( 1.258 -0.306 0.904) 1.579 2.692 ( 0.976 0.251 -1.730) 2.002 3.499 ( -2.907 3.806 -17.296) 17.947 3.696 ( 2.015 -2.544 -16.506) 16.822 4.716 ( -2.510 0.608 -5.303) 5.899 5.545 ( 1.150 -0.133 20.778) 20.811 6.310 ( -5.731 2.902 2.218) 6.796 6.657 ( 7.285 -4.739 2.838) 9.142 6.966 ( -0.354 0.093 -11.752) 11.757 7.338 ( -3.809 4.305 2.856) 6.419 7.507 ( 1.432 -2.514 3.979) 4.920 14.178 ( 2.087 -0.349 9.578) 9.809 14.333 ( -1.926 2.375 -1.858) 3.578 14.504 ( 2.861 -3.394 -0.559) 4.474 15.131 ( -9.092 4.017 -5.273) 11.252 15.482 ( 6.958 -2.751 -10.920) 13.238 17.548 ( 0.597 -0.174 -0.810) 1.021 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.000 -0.000 1.597) 1.597 1.529 ( -1.204 -2.409 1.712) 3.191 1.529 ( 1.204 2.409 1.712) 3.191 1.881 ( -3.113 -6.226 -0.938) 7.023 1.881 ( 3.113 6.226 -0.938) 7.023 1.981 ( -0.000 0.000 6.336) 6.336 2.278 ( -2.044 -4.089 -1.816) 4.919 2.278 ( 2.044 4.089 -1.816) 4.919 2.515 ( -0.000 -0.000 8.785) 8.785 2.631 ( -0.439 -0.877 0.851) 1.298 2.631 ( 0.439 0.877 0.851) 1.298 2.685 ( 0.000 -0.000 -0.923) 0.923 3.607 ( -2.371 -4.742 -16.727) 17.547 3.607 ( 2.371 4.742 -16.727) 17.547 4.744 ( -0.000 -0.000 -5.295) 5.295 5.533 ( -0.000 -0.000 20.709) 20.709 6.470 ( -3.898 -7.796 2.727) 9.133 6.470 ( 3.898 7.796 2.727) 9.133 6.970 ( -0.000 -0.000 -12.504) 12.504 7.439 ( -1.762 -3.525 3.794) 5.470 7.439 ( 1.762 3.525 3.794) 5.470 14.157 ( -0.000 -0.000 10.251) 10.251 14.412 ( -2.015 -4.030 -1.418) 4.724 14.412 ( 2.015 4.030 -1.418) 4.724 15.319 ( -3.507 -7.013 -8.259) 11.388 15.319 ( 3.507 7.013 -8.259) 11.388 17.542 ( -0.000 -0.000 -0.866) 0.866 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 0.000 13.909) 13.909 1.330 ( 0.000 -0.000 13.909) 13.909 1.801 ( 0.000 0.000 8.803) 8.803 1.885 ( 0.000 -0.000 0.290) 0.290 1.885 ( 0.000 0.000 0.290) 0.290 1.994 ( 0.000 -0.000 7.641) 7.641 2.131 ( 0.000 -0.000 -3.001) 3.001 2.131 ( 0.000 0.000 -3.001) 3.001 2.282 ( 0.000 0.000 7.194) 7.194 2.412 ( 0.000 0.000 -1.543) 1.543 2.412 ( 0.000 0.000 -1.543) 1.543 2.663 ( 0.000 -0.000 -5.829) 5.829 3.265 ( 0.000 0.000 -14.442) 14.442 3.265 ( 0.000 -0.000 -14.442) 14.442 4.166 ( 0.000 0.000 -3.343) 3.343 6.069 ( 0.000 0.000 1.072) 1.072 6.069 ( 0.000 0.000 1.072) 1.072 6.636 ( 0.000 -0.000 7.891) 7.891 7.109 ( 0.000 0.000 -8.252) 8.252 7.307 ( 0.000 -0.000 2.275) 2.275 7.307 ( 0.000 0.000 2.275) 2.275 14.200 ( 0.000 0.000 -1.504) 1.504 14.200 ( 0.000 0.000 -1.504) 1.504 14.683 ( 0.000 -0.000 0.665) 0.665 14.683 ( 0.000 -0.000 0.665) 0.665 15.879 ( 0.000 -0.000 -2.944) 2.944 17.635 ( 0.000 -0.000 -0.041) 0.041 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.492 -0.284 15.078) 15.088 1.378 ( 2.190 1.265 12.725) 12.974 1.815 ( 1.027 0.593 4.850) 4.993 1.880 ( -1.109 -0.640 -1.508) 1.979 1.929 ( 3.209 1.853 6.175) 7.201 2.029 ( 1.780 1.027 5.962) 6.306 2.101 ( -0.521 -0.301 -5.540) 5.573 2.143 ( 3.744 2.162 0.939) 4.425 2.310 ( -3.982 -2.299 1.489) 4.833 2.416 ( 5.020 2.899 1.902) 6.101 2.446 ( 1.423 0.821 -2.802) 3.248 2.640 ( -1.208 -0.697 -4.873) 5.069 3.221 ( -2.431 -1.404 -13.446) 13.736 3.327 ( 3.390 1.957 -14.255) 14.783 4.214 ( 3.783 2.184 -3.409) 5.541 6.063 ( -0.737 -0.425 4.671) 4.748 6.074 ( 0.706 0.408 1.291) 1.527 6.644 ( 0.908 0.524 3.456) 3.611 7.094 ( -0.906 -0.523 -6.738) 6.818 7.287 ( -1.848 -1.067 2.054) 2.962 7.359 ( 3.860 2.229 2.116) 4.934 14.188 ( -0.441 -0.255 -0.998) 1.120 14.289 ( 6.506 3.756 -2.630) 7.960 14.639 ( -2.996 -1.729 1.781) 3.891 14.694 ( 0.399 0.230 0.200) 0.502 15.818 ( -4.873 -2.813 -3.125) 6.436 17.625 ( -0.786 -0.454 -0.081) 0.911 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.329 0.190 13.927) 13.932 1.432 ( 2.038 1.177 9.661) 9.944 1.834 ( 0.304 0.176 1.749) 1.784 1.840 ( -1.796 -1.037 -0.613) 2.163 1.959 ( -2.662 -1.537 1.307) 3.340 2.064 ( 1.453 0.839 6.369) 6.586 2.133 ( 0.284 0.164 -0.893) 0.951 2.246 ( 3.460 1.997 -0.053) 3.995 2.303 ( 8.422 4.862 0.487) 9.737 2.476 ( 1.027 0.593 -3.155) 3.371 2.513 ( 1.916 1.106 0.092) 2.214 2.655 ( 3.124 1.804 -0.482) 3.640 3.148 ( -3.575 -2.064 -12.292) 12.967 3.404 ( 2.688 1.552 -13.692) 14.040 4.335 ( 5.790 3.343 -3.490) 7.542 6.036 ( -1.412 -0.815 11.754) 11.867 6.104 ( 1.784 1.030 1.389) 2.485 6.674 ( 1.240 0.716 -5.876) 6.047 7.083 ( 0.175 0.101 -3.499) 3.505 7.221 ( -3.523 -2.034 1.947) 4.510 7.464 ( 4.435 2.561 2.288) 5.609 14.180 ( -0.172 -0.099 -0.745) 0.771 14.459 ( 3.498 2.020 -2.245) 4.621 14.582 ( 1.935 1.117 1.646) 2.775 14.701 ( 0.170 0.098 -0.074) 0.209 15.659 ( -7.793 -4.499 -3.621) 9.699 17.600 ( -1.243 -0.718 -0.197) 1.449 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 3.233 1.867 8.769) 9.531 1.462 ( 0.123 0.071 5.167) 5.169 1.788 ( -9.269 -5.351 -5.115) 11.862 1.812 ( -0.205 -0.118 3.457) 3.465 1.827 ( -0.922 -0.532 1.075) 1.513 2.102 ( 1.595 0.921 6.346) 6.608 2.177 ( 3.042 1.756 5.353) 6.403 2.370 ( 3.972 2.293 -1.668) 4.880 2.473 ( 1.269 0.732 -5.713) 5.897 2.537 ( 7.732 4.464 1.971) 9.143 2.571 ( 4.006 2.313 2.023) 5.049 2.741 ( 2.926 1.689 0.716) 3.454 3.048 ( -4.604 -2.658 -11.940) 13.070 3.451 ( 1.113 0.643 -13.622) 13.682 4.473 ( 5.121 2.957 -3.566) 6.906 6.001 ( -1.288 -0.743 16.604) 16.670 6.158 ( 2.476 1.429 1.288) 3.135 6.694 ( 0.300 0.173 -12.391) 12.396 7.099 ( 0.940 0.543 -0.803) 1.350 7.126 ( -3.995 -2.307 2.040) 5.044 7.561 ( 3.413 1.971 2.648) 4.748 14.181 ( 0.200 0.115 -0.878) 0.908 14.408 ( -3.435 -1.983 3.759) 5.464 14.701 ( -0.162 -0.093 -0.017) 0.188 14.769 ( 8.933 5.158 -3.664) 10.946 15.464 ( -7.732 -4.464 -4.470) 9.984 17.570 ( -1.154 -0.666 -0.349) 1.378 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -2.008 -1.160 2.984) 3.779 1.454 ( 5.555 3.207 2.122) 6.757 1.569 ( -7.987 -4.611 -1.774) 9.391 1.797 ( -1.230 -0.710 0.585) 1.536 1.829 ( 1.246 0.719 6.598) 6.753 2.141 ( 1.599 0.923 5.069) 5.395 2.254 ( 3.129 1.806 2.333) 4.301 2.419 ( 0.414 0.239 1.516) 1.589 2.462 ( -1.265 -0.730 -4.250) 4.494 2.678 ( 3.379 1.951 1.706) 4.258 2.717 ( 4.612 2.663 4.221) 6.796 2.779 ( 0.266 0.154 1.357) 1.392 2.945 ( -2.418 -1.396 -15.725) 15.971 3.460 ( -0.322 -0.186 -13.671) 13.676 4.565 ( 2.106 1.216 -3.686) 4.416 5.979 ( -0.460 -0.266 18.679) 18.687 6.211 ( 1.522 0.879 0.980) 2.012 6.690 ( -0.520 -0.300 -14.280) 14.293 7.046 ( -2.145 -1.239 2.370) 3.428 7.117 ( 0.377 0.218 0.191) 0.475 7.623 ( 1.558 0.899 2.632) 3.188 14.189 ( 0.471 0.272 -1.351) 1.457 14.349 ( -1.144 -0.661 4.808) 4.986 14.694 ( -0.404 -0.233 0.362) 0.590 14.927 ( 2.677 1.545 -2.510) 3.982 15.325 ( -2.436 -1.407 -6.756) 7.319 17.549 ( -0.484 -0.279 -0.448) 0.716 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -2.257 -1.303 4.575) 5.266 1.418 ( -3.971 -2.293 4.321) 6.301 1.592 ( 4.972 2.870 -3.618) 6.786 1.796 ( 1.758 1.015 1.161) 2.338 1.855 ( 0.680 0.393 7.010) 7.054 2.175 ( 1.022 0.590 2.534) 2.795 2.318 ( 1.844 1.065 -0.847) 2.292 2.394 ( -2.498 -1.442 3.008) 4.168 2.421 ( -1.906 -1.100 -2.137) 3.067 2.673 ( -6.179 -3.568 2.062) 7.427 2.676 ( -3.331 -1.923 1.902) 4.291 2.781 ( -0.256 -0.148 1.384) 1.415 3.009 ( 5.631 3.251 -14.603) 15.985 3.440 ( -1.175 -0.678 -13.215) 13.284 4.568 ( -1.879 -1.085 -3.816) 4.390 5.982 ( 0.685 0.395 18.885) 18.902 6.218 ( -0.996 -0.575 0.662) 1.326 6.670 ( -1.164 -0.672 -13.288) 13.355 7.038 ( 1.542 0.891 2.736) 3.265 7.117 ( -0.262 -0.151 -0.183) 0.354 7.632 ( -0.859 -0.496 2.211) 2.423 14.201 ( 0.495 0.286 -1.941) 2.023 14.358 ( 1.783 1.029 4.458) 4.911 14.683 ( -0.426 -0.246 0.880) 1.008 14.876 ( -5.670 -3.273 -0.547) 6.569 15.368 ( 4.778 2.758 -8.378) 10.031 17.549 ( 0.478 0.276 -0.439) 0.706 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -1.636 -0.944 7.715) 7.943 1.376 ( 0.259 0.150 12.096) 12.100 1.694 ( 3.981 2.299 -6.776) 8.188 1.862 ( -0.024 -0.014 6.271) 6.271 1.877 ( 3.941 2.275 0.241) 4.557 2.176 ( -1.238 -0.715 -0.028) 1.430 2.289 ( -5.592 -3.229 3.560) 7.374 2.338 ( -0.862 -0.498 -1.667) 1.941 2.383 ( -0.992 -0.573 0.909) 1.463 2.501 ( -7.391 -4.267 -0.482) 8.548 2.574 ( -3.987 -2.302 1.094) 4.731 2.741 ( -2.921 -1.687 0.663) 3.438 3.139 ( 4.712 2.720 -13.705) 14.745 3.404 ( -1.892 -1.092 -12.346) 12.538 4.480 ( -5.087 -2.937 -3.850) 7.023 6.008 ( 1.343 0.775 17.008) 17.079 6.174 ( -2.289 -1.321 0.572) 2.704 6.639 ( -1.208 -0.698 -9.796) 9.895 7.108 ( 3.810 2.199 2.848) 5.241 7.109 ( -0.314 -0.181 -2.024) 2.057 7.581 ( -3.277 -1.892 1.743) 4.165 14.211 ( 0.285 0.164 -2.344) 2.367 14.423 ( 3.034 1.752 2.866) 4.527 14.675 ( -0.252 -0.145 1.270) 1.303 14.707 ( -7.453 -4.303 -0.445) 8.617 15.510 ( 6.587 3.803 -6.781) 10.190 17.570 ( 1.167 0.674 -0.344) 1.391 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.728 -0.420 10.923) 10.956 1.401 ( 0.891 0.514 16.748) 16.780 1.799 ( 4.412 2.547 -7.786) 9.304 1.860 ( 0.010 0.006 5.104) 5.104 1.930 ( -0.425 -0.245 1.874) 1.937 2.118 ( -3.248 -1.875 1.797) 4.158 2.133 ( -6.348 -3.665 3.884) 8.295 2.312 ( -0.083 -0.048 -0.102) 0.140 2.330 ( -6.161 -3.557 -3.866) 8.097 2.377 ( 0.048 0.028 2.398) 2.398 2.506 ( -2.235 -1.291 0.064) 2.582 2.662 ( -2.801 -1.617 -2.160) 3.889 3.230 ( 2.739 1.581 -14.279) 14.625 3.347 ( -2.702 -1.560 -12.014) 12.412 4.340 ( -5.940 -3.430 -3.707) 7.797 6.039 ( 1.057 0.610 11.866) 11.929 6.121 ( -1.911 -1.103 0.652) 2.301 6.621 ( -0.106 -0.061 -3.414) 3.416 7.103 ( -0.170 -0.098 -4.752) 4.756 7.203 ( 3.696 2.134 2.745) 5.075 7.481 ( -4.780 -2.760 1.608) 5.749 14.214 ( -0.029 -0.017 -2.372) 2.372 14.420 ( -5.435 -3.138 -0.985) 6.352 14.602 ( 0.938 0.542 1.429) 1.793 14.672 ( 0.004 0.003 1.351) 1.351 15.676 ( 6.803 3.928 -4.576) 9.091 17.600 ( 1.244 0.718 -0.207) 1.451 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.567 0.328 13.216) 13.233 1.386 ( -2.146 -1.239 15.513) 15.710 1.827 ( -2.026 -1.170 3.080) 3.868 1.867 ( 0.599 0.346 3.340) 3.411 1.933 ( -0.529 -0.305 -1.719) 1.825 2.035 ( 1.195 0.690 2.818) 3.138 2.036 ( -3.030 -1.749 5.829) 6.798 2.203 ( -4.107 -2.371 -5.029) 6.912 2.335 ( -0.174 -0.101 3.332) 3.338 2.388 ( 0.731 0.422 0.312) 0.900 2.436 ( -2.518 -1.454 -0.686) 2.988 2.641 ( 0.917 0.529 -5.627) 5.726 3.271 ( 0.658 0.380 -14.720) 14.740 3.282 ( -2.235 -1.290 -12.997) 13.251 4.215 ( -3.894 -2.248 -3.459) 5.673 6.058 ( 0.585 0.338 4.798) 4.845 6.084 ( -1.066 -0.616 0.832) 1.486 6.630 ( 0.551 0.318 4.137) 4.185 7.102 ( 0.169 0.098 -7.137) 7.140 7.277 ( 2.235 1.290 2.530) 3.614 7.367 ( -4.130 -2.384 1.840) 5.111 14.210 ( -0.321 -0.185 -2.039) 2.072 14.265 ( -5.421 -3.130 -1.426) 6.420 14.659 ( 2.240 1.293 0.813) 2.711 14.675 ( 0.254 0.146 1.112) 1.150 15.820 ( 4.604 2.658 -3.255) 6.233 17.625 ( 0.777 0.449 -0.085) 0.902 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.121 0.135 13.562) 13.563 1.418 ( 1.638 1.656 13.500) 13.699 1.827 ( -1.126 -4.010 -2.117) 4.672 1.839 ( -0.811 0.762 1.733) 2.059 1.999 ( 6.339 -0.830 2.420) 6.835 2.028 ( -2.677 5.394 4.663) 7.616 2.114 ( 2.522 3.509 0.659) 4.371 2.236 ( -4.173 -1.543 -0.192) 4.453 2.309 ( 2.627 7.576 -0.922) 8.071 2.430 ( 3.642 -0.396 0.704) 3.731 2.497 ( 1.579 2.269 -1.350) 3.076 2.639 ( 0.521 1.511 -2.412) 2.893 3.206 ( -3.853 -0.617 -13.183) 13.749 3.361 ( 3.363 1.398 -13.272) 13.763 4.301 ( 3.117 5.701 -3.564) 7.411 6.044 ( -0.714 -1.160 9.915) 10.008 6.104 ( 0.511 2.133 1.081) 2.446 6.643 ( 1.864 -0.461 -2.263) 2.967 7.079 ( -1.644 -1.376 -4.464) 4.952 7.253 ( -0.119 -1.496 1.688) 2.258 7.436 ( 1.889 4.545 1.977) 5.304 14.199 ( -1.049 0.860 -1.365) 1.925 14.402 ( 5.837 6.502 -2.817) 9.181 14.586 ( -3.130 -3.402 2.553) 5.281 14.696 ( 1.395 0.545 0.390) 1.548 15.714 ( -4.359 -6.626 -3.776) 8.784 17.608 ( -0.691 -1.177 -0.164) 1.375 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.452 1.662 11.129) 11.345 1.478 ( 1.323 3.017 8.131) 8.773 1.758 ( -0.723 -5.745 -0.868) 5.855 1.823 ( -0.333 -1.494 0.822) 1.737 1.973 ( -8.046 3.023 -1.646) 8.752 2.082 ( -0.715 -0.623 3.191) 3.328 2.148 ( 4.418 2.086 4.550) 6.676 2.269 ( 5.560 1.637 0.604) 5.827 2.474 ( 4.105 5.297 -1.036) 6.781 2.495 ( 1.511 2.638 -2.666) 4.043 2.529 ( 3.007 2.915 1.290) 4.382 2.699 ( 2.888 1.757 0.874) 3.491 3.124 ( -4.567 -0.340 -12.308) 13.132 3.420 ( 2.264 -0.027 -13.202) 13.395 4.431 ( 4.212 5.352 -3.636) 7.721 6.012 ( -1.110 -1.332 15.256) 15.354 6.151 ( 1.437 3.384 1.269) 3.890 6.674 ( 1.728 -0.489 -9.765) 9.929 7.015 ( -1.027 -6.125 -0.810) 6.263 7.246 ( -1.954 3.752 0.762) 4.298 7.519 ( 2.959 2.417 2.435) 4.531 14.196 ( -0.600 1.485 -0.967) 1.871 14.460 ( -4.324 -1.310 2.787) 5.309 14.585 ( 6.327 -2.127 -1.370) 6.814 14.761 ( 3.291 6.109 -1.246) 7.050 15.541 ( -6.573 -6.256 -4.447) 10.105 17.579 ( -0.961 -1.195 -0.295) 1.561 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.003 3.446 5.822) 7.861 1.498 ( -2.621 2.902 2.485) 4.633 1.661 ( -5.123 -4.107 -0.018) 6.567 1.788 ( -1.364 -1.650 1.035) 2.378 1.890 ( -2.979 4.051 1.758) 5.326 2.086 ( 2.182 -1.400 4.462) 5.161 2.221 ( 1.495 0.589 2.514) 2.983 2.371 ( 4.536 -1.139 0.064) 4.677 2.510 ( -1.319 3.110 -2.995) 4.515 2.582 ( 5.869 0.944 1.760) 6.200 2.682 ( 4.333 5.255 2.108) 7.130 2.743 ( 1.332 -1.572 1.302) 2.438 3.045 ( -4.879 2.870 -12.688) 13.894 3.442 ( 1.072 -1.537 -13.382) 13.513 4.546 ( 2.730 3.649 -3.726) 5.886 5.982 ( -0.662 -1.023 18.131) 18.172 6.219 ( 1.056 4.389 1.212) 4.674 6.690 ( 0.472 -0.363 -13.833) 13.846 6.925 ( 0.999 -9.670 1.144) 9.788 7.255 ( -3.574 6.993 1.003) 7.917 7.587 ( 2.746 0.297 2.685) 3.852 14.207 ( -0.511 2.418 -1.079) 2.697 14.372 ( -2.846 -1.480 4.659) 5.656 14.625 ( 3.311 -5.223 -0.406) 6.197 14.921 ( 4.158 7.326 -3.206) 9.013 15.368 ( -5.371 -4.421 -5.401) 8.807 17.552 ( -0.628 -0.907 -0.420) 1.180 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -3.570 3.197 3.800) 6.116 1.489 ( -3.884 -1.044 0.452) 4.047 1.545 ( 0.847 3.331 0.493) 3.472 1.759 ( 0.422 -1.563 2.380) 2.878 1.916 ( -1.280 6.128 4.142) 7.506 2.132 ( 4.647 -2.001 3.581) 6.199 2.226 ( 1.184 -3.669 -1.632) 4.186 2.395 ( -0.047 -2.322 1.997) 3.063 2.513 ( -2.750 4.150 -1.181) 5.117 2.680 ( 2.987 -1.165 0.978) 3.352 2.708 ( -1.704 -3.777 0.871) 4.234 2.748 ( 0.703 -0.252 3.756) 3.829 3.035 ( -1.786 7.156 -13.690) 15.550 3.433 ( 0.353 -2.255 -13.311) 13.505 4.593 ( -0.640 1.331 -3.840) 4.114 5.971 ( 0.369 -0.450 19.033) 19.042 6.260 ( -1.729 3.691 0.969) 4.189 6.681 ( -0.836 -0.633 -14.110) 14.149 6.879 ( 5.257 -8.833 1.344) 10.367 7.256 ( -4.619 7.397 1.393) 8.832 7.619 ( 1.224 -1.299 2.460) 3.039 14.222 ( -1.025 2.737 -1.578) 3.322 14.341 ( 0.552 -0.090 4.925) 4.957 14.618 ( 2.522 -5.810 0.388) 6.346 14.986 ( -4.446 3.232 -1.644) 5.737 15.308 ( 2.679 -0.433 -7.644) 8.112 17.541 ( 0.215 -0.383 -0.463) 0.638 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -4.581 -0.476 6.222) 7.741 1.437 ( -3.404 5.002 7.688) 9.783 1.633 ( 4.007 0.835 -4.822) 6.325 1.785 ( 3.200 -0.463 3.664) 4.886 1.955 ( -2.087 7.113 3.051) 8.016 2.191 ( -0.076 -1.405 -1.707) 2.213 2.205 ( 5.522 -5.601 0.067) 7.866 2.319 ( -3.604 -5.260 3.019) 7.055 2.492 ( -4.072 3.418 0.095) 5.317 2.620 ( -6.168 -0.328 0.376) 6.188 2.622 ( -4.021 -2.957 1.561) 5.230 2.751 ( -0.149 -1.944 1.737) 2.611 3.104 ( 2.002 4.072 -13.539) 14.279 3.413 ( -0.320 -1.462 -12.647) 12.735 4.550 ( -4.364 -0.620 -3.892) 5.880 5.985 ( 1.400 -0.023 18.350) 18.403 6.230 ( -4.022 1.226 0.830) 4.286 6.655 ( -1.055 -0.486 -11.896) 11.952 6.929 ( 7.664 -5.177 0.344) 9.255 7.245 ( -4.388 6.431 1.234) 7.882 7.601 ( -1.169 -2.295 2.046) 3.289 14.224 ( -1.056 1.390 -1.829) 2.528 14.388 ( 3.103 2.033 3.974) 5.436 14.598 ( 1.886 -5.947 0.693) 6.277 14.875 ( -8.840 1.712 -1.012) 9.061 15.411 ( 6.813 1.167 -7.358) 10.095 17.552 ( 1.102 0.094 -0.411) 1.180 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.716 -0.331 10.584) 10.727 1.435 ( -2.409 3.956 12.267) 13.112 1.724 ( 5.225 0.925 -5.868) 7.911 1.831 ( 2.218 -1.082 3.640) 4.398 1.987 ( -2.252 5.889 1.075) 6.396 2.159 ( 1.050 -4.060 -3.716) 5.604 2.172 ( -4.768 -6.176 4.362) 8.939 2.239 ( -0.118 -1.488 2.281) 2.726 2.435 ( -4.136 1.577 3.105) 5.407 2.485 ( -8.850 1.420 -2.711) 9.365 2.537 ( -2.364 -1.142 -0.735) 2.726 2.698 ( -2.869 -1.669 0.677) 3.388 3.174 ( 3.177 -0.309 -13.482) 13.855 3.389 ( -1.706 0.380 -12.311) 12.434 4.434 ( -6.718 -1.261 -3.790) 7.816 6.015 ( 1.727 -0.008 15.417) 15.513 6.161 ( -3.544 -0.322 0.866) 3.662 6.639 ( -0.901 0.980 -8.125) 8.233 7.021 ( 6.116 -2.498 -1.251) 6.724 7.238 ( -2.319 4.074 0.899) 4.773 7.532 ( -3.550 -2.278 1.857) 4.609 14.215 ( -0.593 -0.237 -1.837) 1.944 14.474 ( 1.692 3.483 1.566) 4.177 14.551 ( -0.151 -5.457 0.621) 5.494 14.744 ( -6.381 1.817 -0.215) 6.638 15.561 ( 8.195 0.824 -5.465) 9.884 17.579 ( 1.524 0.230 -0.296) 1.570 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 2.673 3.842 7.359) 8.721 1.540 ( 3.469 2.470 6.433) 7.715 1.645 ( -0.419 -4.171 -1.307) 4.392 1.787 ( -0.616 -1.988 2.447) 3.212 2.024 ( -8.441 0.797 -2.765) 8.918 2.093 ( 2.849 2.131 0.364) 3.576 2.170 ( -0.221 -0.907 3.638) 3.755 2.283 ( 3.128 0.401 0.585) 3.207 2.529 ( 2.936 3.096 2.040) 4.729 2.563 ( -0.521 4.019 -0.454) 4.078 2.651 ( 4.679 4.015 -0.248) 6.170 2.722 ( 0.046 0.752 2.671) 2.775 3.133 ( -1.363 1.287 -13.081) 13.215 3.405 ( 0.516 -1.293 -12.620) 12.697 4.542 ( 2.608 4.753 -3.869) 6.660 5.983 ( -0.857 -1.276 17.963) 18.028 6.243 ( 2.469 5.128 1.152) 5.807 6.663 ( 1.358 -0.383 -11.737) 11.821 6.867 ( -4.663 -7.346 -0.380) 8.710 7.330 ( 2.682 3.680 1.211) 4.712 7.560 ( 0.109 1.361 2.369) 2.734 14.236 ( 0.585 2.156 -1.071) 2.478 14.418 ( -3.010 -2.600 4.936) 6.338 14.525 ( 0.559 -2.646 -1.220) 2.967 14.909 ( 5.571 7.166 -2.320) 9.368 15.411 ( -4.880 -5.985 -5.816) 9.668 17.553 ( -0.671 -1.167 -0.401) 1.405 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 3.017 3.124 2.679) 5.102 1.544 ( -2.669 1.826 1.593) 3.605 1.640 ( -1.806 0.767 5.649) 5.980 1.767 ( -1.632 0.773 -0.461) 1.863 1.940 ( 1.483 -0.518 -0.252) 1.591 2.087 ( -2.968 0.935 3.122) 4.408 2.186 ( 1.482 -1.529 -0.780) 2.268 2.337 ( 3.203 -2.399 0.232) 4.009 2.584 ( -0.591 3.104 0.283) 3.173 2.611 ( 2.217 1.833 0.975) 3.037 2.692 ( -0.003 -2.568 0.710) 2.664 2.743 ( 0.770 0.850 4.594) 4.735 3.154 ( -1.649 6.545 -12.821) 14.489 3.386 ( 0.718 -3.763 -12.901) 13.457 4.613 ( 0.751 2.469 -3.962) 4.729 5.962 ( -0.188 -0.738 19.107) 19.122 6.341 ( 0.178 7.180 1.242) 7.289 6.682 ( 1.326 -0.672 -13.640) 13.721 6.718 ( -0.830 -9.552 0.334) 9.593 7.393 ( -1.715 6.018 1.700) 6.484 7.570 ( 1.531 -1.968 2.537) 3.557 14.278 ( 0.105 4.175 -0.841) 4.260 14.347 ( -2.387 -0.809 5.069) 5.662 14.504 ( 2.298 -6.041 -0.525) 6.484 15.061 ( 2.090 6.012 -3.447) 7.238 15.279 ( -2.472 -4.229 -5.878) 7.651 17.535 ( -0.177 -0.680 -0.470) 0.846 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -4.403 -0.074 3.070) 5.368 1.564 ( -1.110 3.502 4.192) 5.574 1.601 ( -1.835 2.291 1.815) 3.451 1.751 ( 0.019 1.246 1.393) 1.869 2.026 ( 6.350 -6.088 -1.819) 8.983 2.065 ( -0.510 5.645 2.893) 6.364 2.170 ( -1.106 -1.331 -0.596) 1.830 2.325 ( -0.865 -3.349 0.986) 3.596 2.578 ( -2.624 1.576 0.552) 3.110 2.650 ( -2.112 -2.589 1.248) 3.567 2.663 ( 1.574 0.761 -0.027) 1.748 2.741 ( -0.796 -0.155 4.747) 4.816 3.167 ( -3.616 4.055 -13.032) 14.119 3.378 ( 2.215 -2.206 -12.693) 13.073 4.614 ( -2.436 0.540 -3.992) 4.707 5.963 ( 0.796 -0.241 19.139) 19.157 6.346 ( -6.030 3.298 1.175) 6.973 6.659 ( 0.566 -1.337 -9.611) 9.720 6.733 ( 7.411 -3.865 -3.527) 9.072 7.389 ( -4.684 4.600 1.875) 6.828 7.575 ( 1.315 -2.443 2.328) 3.622 14.280 ( -3.175 1.738 -0.641) 3.676 14.356 ( 2.350 1.743 4.539) 5.400 14.493 ( 3.202 -4.880 -0.234) 5.841 15.045 ( -7.287 2.174 -2.763) 8.091 15.295 ( 5.908 -0.927 -6.539) 8.861 17.535 ( 0.674 -0.185 -0.467) 0.841 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 -0.000 0.209) 0.209 1.610 ( -1.352 -2.704 5.442) 6.225 1.610 ( 1.352 2.704 5.442) 6.225 1.858 ( -3.108 -6.217 -1.495) 7.110 1.858 ( 3.108 6.217 -1.495) 7.110 2.066 ( -0.000 0.000 2.094) 2.094 2.255 ( -2.325 -4.650 -0.437) 5.217 2.255 ( 2.325 4.650 -0.437) 5.217 2.624 ( -0.000 0.000 2.072) 2.072 2.645 ( -0.487 -0.973 0.404) 1.161 2.645 ( 0.487 0.973 0.404) 1.161 2.749 ( -0.000 -0.000 5.312) 5.312 3.286 ( -2.497 -4.994 -12.679) 13.854 3.286 ( 2.497 4.994 -12.679) 13.854 4.640 ( -0.000 -0.000 -4.059) 4.059 5.954 ( -0.000 -0.000 19.410) 19.410 6.514 ( -4.020 -8.039 1.417) 9.099 6.514 ( 4.020 8.039 1.417) 9.099 6.681 ( -0.000 -0.000 -15.124) 15.124 7.503 ( -1.957 -3.915 2.247) 4.920 7.503 ( 1.957 3.915 2.247) 4.920 14.333 ( -0.000 0.000 6.150) 6.150 14.384 ( -2.229 -4.458 -1.130) 5.111 14.384 ( 2.229 4.458 -1.130) 5.111 15.180 ( -2.433 -4.865 -4.794) 7.250 15.180 ( 2.433 4.865 -4.794) 7.250 17.527 ( -0.000 -0.000 -0.489) 0.489 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 -0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 -0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 -0.000 0.000) 0.000 2.390 ( -0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.404 ( -0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 -0.000) 0.000 3.095 ( 0.000 -0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 -0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 -0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 -0.000 0.000) 0.000 14.690 ( 0.000 -0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 0.000) 0.000 17.635 ( 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.502 -0.290 -3.345) 3.395 1.548 ( 2.544 1.469 4.634) 5.487 1.817 ( -2.450 -1.415 -2.875) 4.034 1.876 ( 0.630 0.363 2.225) 2.341 1.964 ( 2.822 1.630 -2.394) 4.044 2.065 ( -1.004 -0.580 1.680) 2.041 2.120 ( 1.681 0.971 -3.482) 3.986 2.133 ( 3.200 1.847 3.400) 5.021 2.341 ( -3.583 -2.069 1.349) 4.351 2.401 ( 0.821 0.474 -1.198) 1.527 2.495 ( 5.815 3.357 0.581) 6.740 2.529 ( -1.542 -0.890 -0.808) 1.955 3.082 ( -1.083 -0.625 1.606) 2.036 3.147 ( 3.483 2.011 -1.351) 4.242 4.177 ( 3.762 2.172 0.025) 4.344 6.090 ( 0.877 0.506 0.253) 1.044 6.110 ( 2.306 1.331 -0.162) 2.667 6.695 ( -4.085 -2.358 -0.381) 4.732 7.007 ( 1.325 0.765 0.255) 1.551 7.306 ( -2.027 -1.170 -0.260) 2.355 7.384 ( 3.891 2.247 0.225) 4.499 14.183 ( -0.072 -0.042 0.527) 0.534 14.255 ( 5.577 3.220 -0.584) 6.467 14.663 ( -2.128 -1.229 0.467) 2.502 14.691 ( 0.065 0.037 -0.446) 0.452 15.785 ( -4.945 -2.855 0.046) 5.710 17.624 ( -0.818 -0.472 0.002) 0.945 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.705 -0.407 -4.848) 4.916 1.570 ( -1.032 -0.596 10.368) 10.436 1.741 ( -4.049 -2.338 -11.025) 11.975 1.896 ( 1.135 0.656 3.902) 4.116 1.936 ( -2.960 -1.709 0.451) 3.448 2.145 ( 0.985 0.569 -1.846) 2.169 2.178 ( 7.425 4.287 1.211) 8.658 2.266 ( 6.410 3.701 1.129) 7.487 2.272 ( -1.019 -0.588 2.535) 2.795 2.428 ( 1.536 0.887 -2.164) 2.798 2.519 ( 1.051 0.607 -0.432) 1.289 2.638 ( 5.532 3.194 -0.216) 6.391 3.040 ( -2.458 -1.419 2.600) 3.849 3.228 ( 2.830 1.634 -1.696) 3.682 4.298 ( 5.793 3.345 0.115) 6.690 6.123 ( 1.821 1.051 0.404) 2.141 6.181 ( 3.284 1.896 0.215) 3.798 6.581 ( -4.907 -2.833 -1.361) 5.828 7.047 ( 1.852 1.069 0.419) 2.179 7.237 ( -3.578 -2.066 -0.434) 4.154 7.494 ( 4.666 2.694 0.417) 5.404 14.181 ( -0.093 -0.053 0.820) 0.827 14.418 ( 6.128 3.538 -1.022) 7.150 14.611 ( -0.750 -0.433 0.578) 1.041 14.693 ( 0.074 0.043 -0.694) 0.700 15.625 ( -7.821 -4.515 0.370) 9.038 17.598 ( -1.305 -0.754 0.006) 1.507 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.817 -0.472 -4.101) 4.208 1.529 ( -1.697 -0.979 8.586) 8.807 1.619 ( -5.296 -3.058 -10.265) 11.949 1.863 ( -2.850 -1.646 1.505) 3.619 1.931 ( 1.642 0.948 3.881) 4.319 2.166 ( 0.690 0.398 -1.366) 1.582 2.275 ( 0.994 0.574 3.729) 3.902 2.352 ( 5.560 3.210 -1.210) 6.534 2.386 ( 2.329 1.345 -0.163) 2.694 2.509 ( 5.948 3.434 -2.263) 7.232 2.589 ( 4.502 2.599 -0.099) 5.199 2.750 ( 3.435 1.983 -0.001) 3.966 2.961 ( -4.042 -2.334 2.922) 5.507 3.277 ( 1.199 0.692 -1.473) 2.022 4.435 ( 5.070 2.927 0.159) 5.856 6.176 ( 2.334 1.347 0.388) 2.723 6.256 ( 2.646 1.528 1.094) 3.246 6.473 ( -3.697 -2.135 -2.079) 4.748 7.090 ( 1.554 0.897 0.060) 1.796 7.143 ( -3.853 -2.225 -0.436) 4.471 7.595 ( 3.470 2.004 0.490) 4.037 14.179 ( -0.063 -0.036 0.735) 0.739 14.447 ( -2.107 -1.216 0.273) 2.448 14.695 ( 0.040 0.023 -0.623) 0.625 14.718 ( 7.748 4.473 -1.383) 9.052 15.428 ( -7.913 -4.568 1.077) 9.200 17.566 ( -1.217 -0.703 0.002) 1.405 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -0.392 -0.226 -1.576) 1.640 1.486 ( -1.778 -1.026 -0.629) 2.147 1.539 ( -0.881 -0.509 0.208) 1.038 1.806 ( -1.489 -0.860 0.127) 1.724 1.965 ( 0.889 0.513 1.669) 1.959 2.176 ( 0.158 0.091 -0.538) 0.568 2.294 ( 0.465 0.269 1.474) 1.569 2.410 ( 0.268 0.154 -0.400) 0.506 2.440 ( 1.776 1.026 -0.486) 2.108 2.673 ( 6.477 3.740 -2.182) 7.791 2.698 ( 3.296 1.903 -0.004) 3.806 2.797 ( 0.540 0.312 0.125) 0.636 2.846 ( -5.205 -3.005 2.594) 6.546 3.292 ( 0.189 0.109 -0.635) 0.672 4.524 ( 1.984 1.146 0.075) 2.292 6.223 ( 1.226 0.708 0.170) 1.426 6.301 ( 1.000 0.577 1.115) 1.605 6.410 ( -1.381 -0.797 -1.474) 2.171 7.069 ( -1.812 -1.046 -0.195) 2.102 7.117 ( 0.607 0.351 -0.071) 0.705 7.654 ( 1.266 0.731 0.224) 1.479 14.178 ( -0.020 -0.011 0.294) 0.295 14.401 ( -1.161 -0.670 0.220) 1.358 14.695 ( 0.009 0.005 -0.250) 0.250 14.886 ( 4.824 2.785 -1.372) 5.736 15.266 ( -4.586 -2.647 1.147) 5.418 17.544 ( -0.503 -0.291 -0.002) 0.581 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.060 0.104 0.000) 0.120 1.572 ( 0.060 0.103 0.000) 0.119 1.758 ( -2.116 -3.664 -0.000) 4.231 1.910 ( 1.142 1.978 0.000) 2.284 1.949 ( -1.181 -2.046 0.000) 2.363 2.107 ( 2.435 4.218 0.000) 4.870 2.138 ( -0.078 -0.135 0.000) 0.156 2.241 ( 4.655 8.063 -0.000) 9.311 2.278 ( -1.286 -2.228 0.000) 2.573 2.429 ( 1.159 2.007 0.000) 2.317 2.509 ( -0.258 -0.447 0.000) 0.516 2.599 ( 3.214 5.568 0.000) 6.429 3.058 ( -0.981 -1.700 0.000) 1.962 3.206 ( 1.746 3.024 0.000) 3.492 4.261 ( 3.197 5.537 0.000) 6.394 6.115 ( 1.065 1.844 0.000) 2.129 6.158 ( 1.761 3.051 0.000) 3.523 6.613 ( -2.840 -4.919 0.000) 5.680 7.025 ( 0.268 0.463 0.000) 0.535 7.273 ( -0.943 -1.633 0.000) 1.886 7.457 ( 2.466 4.271 0.000) 4.932 14.184 ( 0.109 0.189 0.000) 0.219 14.372 ( 4.114 7.125 0.000) 8.227 14.612 ( -1.868 -3.235 0.000) 3.736 14.700 ( 0.522 0.905 0.000) 1.045 15.674 ( -4.206 -7.286 0.000) 8.413 17.606 ( -0.715 -1.239 0.000) 1.431 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -1.178 0.786 -3.818) 4.072 1.548 ( -1.365 -1.204 7.287) 7.511 1.680 ( -3.318 -1.968 -7.576) 8.502 1.897 ( -2.525 -1.806 0.682) 3.179 1.938 ( 0.102 2.230 3.600) 4.236 2.123 ( 1.357 -2.572 -0.532) 2.956 2.220 ( 5.153 1.595 1.405) 5.574 2.270 ( 1.195 -0.130 -1.422) 1.861 2.419 ( 2.864 8.379 1.271) 8.946 2.484 ( 2.438 4.311 -1.366) 5.138 2.538 ( 3.217 1.696 -0.233) 3.644 2.707 ( 3.376 2.911 -0.049) 4.458 3.009 ( -2.610 -1.333 1.580) 3.329 3.258 ( 1.423 0.880 -0.944) 1.921 4.391 ( 4.296 5.189 0.085) 6.737 6.167 ( 1.633 3.155 0.205) 3.558 6.227 ( 2.457 2.348 0.462) 3.430 6.508 ( -3.294 -3.788 -1.075) 5.133 7.006 ( 0.120 -5.139 0.086) 5.141 7.253 ( -2.186 3.589 -0.249) 4.209 7.549 ( 3.413 2.297 0.313) 4.126 14.191 ( -0.148 1.044 0.471) 1.155 14.479 ( -1.306 1.609 0.057) 2.073 14.572 ( 3.876 -3.197 -0.552) 5.054 14.746 ( 1.864 5.258 -0.372) 5.591 15.500 ( -6.189 -6.968 0.436) 9.329 17.576 ( -1.008 -1.253 0.002) 1.608 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -1.073 1.174 -2.666) 3.104 1.523 ( -1.305 1.163 4.750) 5.062 1.594 ( -5.121 1.322 -5.860) 7.894 1.829 ( -2.454 -1.730 0.311) 3.019 1.976 ( 0.907 2.583 4.463) 5.236 2.138 ( 3.097 -2.844 -0.420) 4.226 2.226 ( -0.503 -3.328 -0.475) 3.399 2.366 ( 6.075 -0.575 -1.066) 6.194 2.488 ( -1.373 5.743 0.518) 5.927 2.593 ( 3.771 2.589 0.787) 4.642 2.659 ( 4.778 3.807 -1.938) 6.409 2.772 ( 1.848 0.555 0.275) 1.949 2.942 ( -4.355 1.149 1.959) 4.911 3.276 ( 0.811 -0.924 -0.912) 1.530 4.505 ( 2.733 3.474 0.095) 4.421 6.231 ( 0.870 3.905 0.011) 4.001 6.288 ( 1.755 1.579 1.534) 2.815 6.426 ( -2.019 -2.255 -1.856) 3.550 6.936 ( 1.446 -9.380 -0.044) 9.491 7.263 ( -3.438 7.310 -0.273) 8.083 7.619 ( 2.726 0.153 0.339) 2.751 14.200 ( -0.723 2.132 0.427) 2.291 14.423 ( -2.593 -1.096 0.386) 2.842 14.614 ( 4.099 -4.998 -0.720) 6.503 14.876 ( 3.573 7.586 -1.112) 8.459 15.323 ( -5.657 -5.134 1.068) 7.714 17.548 ( -0.663 -0.939 -0.001) 1.149 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.350 0.607 0.000) 0.700 1.509 ( -3.291 5.700 0.000) 6.581 1.556 ( -1.136 1.968 0.000) 2.272 1.792 ( 0.302 -0.522 0.000) 0.603 2.002 ( -1.374 2.379 -0.000) 2.747 2.170 ( 0.581 -1.006 0.000) 1.162 2.181 ( 3.926 -6.801 0.000) 7.853 2.423 ( 1.492 -2.584 0.000) 2.984 2.506 ( -3.092 5.356 0.000) 6.185 2.659 ( 1.800 -3.118 0.000) 3.601 2.710 ( 0.477 -0.826 0.000) 0.954 2.803 ( -0.156 0.271 -0.000) 0.313 2.897 ( -3.551 6.151 0.000) 7.102 3.277 ( 0.900 -1.560 0.000) 1.801 4.550 ( -0.690 1.195 0.000) 1.380 6.262 ( -1.561 2.704 0.000) 3.122 6.315 ( -0.563 0.976 0.000) 1.127 6.394 ( 0.395 -0.684 0.000) 0.789 6.894 ( 5.262 -9.114 0.000) 10.524 7.271 ( -4.522 7.833 0.000) 9.044 7.646 ( 0.871 -1.509 0.000) 1.743 14.205 ( -1.474 2.552 0.000) 2.947 14.391 ( 0.118 -0.204 0.000) 0.236 14.623 ( 3.218 -5.573 0.000) 6.435 14.969 ( -2.182 3.779 0.000) 4.364 15.226 ( 0.574 -0.995 0.000) 1.149 17.536 ( 0.223 -0.386 0.000) 0.446 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.155 -0.268 0.000) 0.310 1.541 ( 0.573 0.992 -0.000) 1.146 1.681 ( 0.584 1.011 -0.000) 1.167 1.851 ( -1.678 -2.906 0.000) 3.355 1.946 ( -0.517 -0.895 -0.000) 1.033 2.107 ( 0.863 1.494 0.000) 1.725 2.225 ( -1.977 -3.424 -0.000) 3.953 2.278 ( 1.773 3.070 0.000) 3.545 2.533 ( 1.823 3.157 0.000) 3.646 2.593 ( 1.923 3.330 -0.000) 3.846 2.616 ( 3.342 5.788 0.000) 6.683 2.757 ( 1.205 2.087 0.000) 2.409 2.993 ( 0.087 0.150 0.000) 0.174 3.259 ( -0.427 -0.739 0.000) 0.853 4.498 ( 2.663 4.613 0.000) 5.327 6.254 ( 2.832 4.906 0.000) 5.665 6.273 ( 1.130 1.957 0.000) 2.260 6.433 ( -1.785 -3.092 0.000) 3.571 6.868 ( -4.194 -7.265 0.000) 8.389 7.343 ( 2.437 4.222 0.000) 4.875 7.585 ( 0.661 1.145 0.000) 1.323 14.224 ( 1.161 2.012 0.000) 2.323 14.472 ( -1.665 -2.883 0.000) 3.330 14.510 ( -0.795 -1.376 0.000) 1.589 14.885 ( 4.129 7.152 0.000) 8.259 15.350 ( -4.011 -6.946 0.000) 8.021 17.549 ( -0.699 -1.211 0.000) 1.399 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.188 0.616 -0.121) 0.656 1.590 ( 0.993 4.614 1.122) 4.851 1.673 ( -5.419 5.523 -2.670) 8.185 1.786 ( -1.284 -2.360 -0.071) 2.687 1.956 ( 4.534 -5.008 3.127) 7.444 2.136 ( -0.744 0.333 -3.533) 3.626 2.151 ( -1.591 -0.345 2.092) 2.651 2.338 ( 3.675 -2.500 -0.260) 4.452 2.587 ( 0.133 3.540 -0.338) 3.559 2.631 ( -0.521 1.426 1.643) 2.237 2.682 ( 1.604 -1.043 -1.154) 2.234 2.800 ( 0.993 1.331 -0.090) 1.663 3.018 ( -1.464 5.625 0.470) 5.831 3.234 ( 0.439 -3.201 -0.274) 3.242 4.569 ( 0.760 2.341 0.017) 2.462 6.300 ( 0.074 1.298 -0.324) 1.340 6.358 ( 0.919 5.904 2.734) 6.571 6.387 ( -0.829 -0.861 -2.501) 2.772 6.731 ( 0.347 -9.933 0.038) 9.939 7.410 ( -1.642 6.472 -0.108) 6.678 7.598 ( 1.509 -2.193 0.111) 2.664 14.268 ( -0.391 4.231 0.091) 4.250 14.402 ( -2.509 -0.801 0.229) 2.643 14.497 ( 3.106 -5.901 -0.310) 6.675 15.020 ( 2.233 5.993 -0.433) 6.410 15.221 ( -2.816 -4.504 0.432) 5.329 17.530 ( -0.187 -0.696 -0.001) 0.721 ======================= 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 1.10e-04 1.10e-04 5.25e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.000 -0.000 0.000) 0.000 1.692 ( -1.948 -3.896 0.000) 4.355 1.692 ( 1.948 3.895 0.000) 4.355 1.829 ( -2.886 -5.772 0.000) 6.453 1.829 ( 2.886 5.772 0.000) 6.453 2.085 ( 0.000 0.000 0.000) 0.000 2.254 ( -2.337 -4.673 0.000) 5.225 2.254 ( 2.337 4.673 0.000) 5.225 2.645 ( 0.000 -0.000 0.000) 0.000 2.648 ( -0.402 -0.803 0.000) 0.898 2.648 ( 0.402 0.803 0.000) 0.898 2.813 ( -0.000 -0.000 0.000) 0.000 3.142 ( -2.442 -4.884 0.000) 5.460 3.142 ( 2.442 4.884 0.000) 5.460 4.595 ( -0.000 -0.000 0.000) 0.000 6.312 ( -0.000 -0.000 -0.000) 0.000 6.368 ( -0.000 -0.000 0.000) 0.000 6.529 ( -4.055 -8.110 0.000) 9.067 6.529 ( 4.055 8.110 0.000) 9.067 7.527 ( -2.033 -4.066 0.000) 4.546 7.527 ( 2.033 4.066 0.000) 4.546 14.371 ( -2.287 -4.575 0.000) 5.115 14.371 ( 2.287 4.575 0.000) 5.115 14.398 ( -0.000 -0.000 0.000) 0.000 15.129 ( -2.025 -4.049 0.000) 4.527 15.129 ( 2.025 4.049 0.000) 4.527 17.522 ( -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 91.518 91.518 70.379 0.000 0.000 -0.000 3/21870 20.0 11.248 11.248 10.729 0.000 0.000 -0.000 3/21870 30.0 5.553 5.553 5.415 0.000 0.000 -0.000 3/21870 40.0 3.719 3.719 3.769 0.000 0.000 -0.000 3/21870 50.0 2.810 2.810 3.001 0.000 0.000 -0.000 3/21870 60.0 2.270 2.270 2.557 0.000 0.000 -0.000 3/21870 70.0 1.915 1.915 2.260 0.000 0.000 -0.000 3/21870 80.0 1.665 1.665 2.042 0.000 0.000 -0.000 3/21870 90.0 1.480 1.480 1.872 0.000 0.000 -0.000 3/21870 100.0 1.338 1.338 1.734 0.000 0.000 -0.000 3/21870 110.0 1.226 1.226 1.618 0.000 0.000 -0.000 3/21870 120.0 1.135 1.135 1.520 0.000 0.000 -0.000 3/21870 130.0 1.059 1.059 1.434 0.000 0.000 -0.000 3/21870 140.0 0.995 0.995 1.359 0.000 0.000 -0.000 3/21870 150.0 0.940 0.940 1.292 0.000 0.000 -0.000 3/21870 160.0 0.892 0.892 1.232 0.000 0.000 -0.000 3/21870 170.0 0.849 0.849 1.177 0.000 0.000 -0.000 3/21870 180.0 0.811 0.811 1.127 0.000 0.000 -0.000 3/21870 190.0 0.777 0.777 1.082 0.000 0.000 -0.000 3/21870 200.0 0.745 0.745 1.039 0.000 0.000 -0.000 3/21870 210.0 0.716 0.716 1.000 0.000 0.000 -0.000 3/21870 220.0 0.690 0.690 0.964 0.000 0.000 -0.000 3/21870 230.0 0.665 0.665 0.930 0.000 0.000 -0.000 3/21870 240.0 0.643 0.643 0.899 0.000 0.000 -0.000 3/21870 250.0 0.621 0.621 0.869 0.000 0.000 -0.000 3/21870 260.0 0.601 0.601 0.841 0.000 0.000 -0.000 3/21870 270.0 0.583 0.583 0.815 0.000 0.000 -0.000 3/21870 280.0 0.565 0.565 0.791 0.000 0.000 -0.000 3/21870 290.0 0.549 0.549 0.767 0.000 0.000 -0.000 3/21870 300.0 0.533 0.533 0.745 0.000 0.000 -0.000 3/21870 310.0 0.518 0.518 0.725 0.000 0.000 -0.000 3/21870 320.0 0.504 0.504 0.705 0.000 0.000 -0.000 3/21870 330.0 0.491 0.491 0.686 0.000 0.000 -0.000 3/21870 340.0 0.478 0.478 0.668 0.000 0.000 -0.000 3/21870 350.0 0.466 0.466 0.651 0.000 0.000 -0.000 3/21870 360.0 0.454 0.454 0.635 0.000 0.000 -0.000 3/21870 370.0 0.443 0.443 0.620 0.000 0.000 -0.000 3/21870 380.0 0.433 0.433 0.605 0.000 0.000 -0.000 3/21870 390.0 0.423 0.423 0.591 0.000 0.000 -0.000 3/21870 400.0 0.413 0.413 0.578 0.000 0.000 -0.000 3/21870 410.0 0.404 0.404 0.565 0.000 0.000 -0.000 3/21870 420.0 0.396 0.396 0.552 0.000 0.000 -0.000 3/21870 430.0 0.387 0.387 0.541 0.000 0.000 -0.000 3/21870 440.0 0.379 0.379 0.529 0.000 0.000 -0.000 3/21870 450.0 0.371 0.371 0.518 0.000 0.000 -0.000 3/21870 460.0 0.364 0.364 0.508 0.000 0.000 -0.000 3/21870 470.0 0.357 0.357 0.498 0.000 0.000 -0.000 3/21870 480.0 0.350 0.350 0.488 0.000 0.000 -0.000 3/21870 490.0 0.343 0.343 0.479 0.000 0.000 -0.000 3/21870 500.0 0.337 0.337 0.470 0.000 0.000 -0.000 3/21870 510.0 0.331 0.331 0.461 0.000 0.000 -0.000 3/21870 520.0 0.325 0.325 0.453 0.000 0.000 -0.000 3/21870 530.0 0.319 0.319 0.445 0.000 0.000 -0.000 3/21870 540.0 0.313 0.313 0.437 0.000 0.000 -0.000 3/21870 550.0 0.308 0.308 0.429 0.000 0.000 -0.000 3/21870 560.0 0.303 0.303 0.422 0.000 0.000 -0.000 3/21870 570.0 0.298 0.298 0.415 0.000 0.000 -0.000 3/21870 580.0 0.293 0.293 0.408 0.000 0.000 -0.000 3/21870 590.0 0.288 0.288 0.402 0.000 0.000 -0.000 3/21870 600.0 0.284 0.284 0.395 0.000 0.000 -0.000 3/21870 610.0 0.279 0.279 0.389 0.000 0.000 -0.000 3/21870 620.0 0.275 0.275 0.383 0.000 0.000 -0.000 3/21870 630.0 0.271 0.271 0.377 0.000 0.000 -0.000 3/21870 640.0 0.267 0.267 0.372 0.000 0.000 -0.000 3/21870 650.0 0.263 0.263 0.366 0.000 0.000 -0.000 3/21870 660.0 0.259 0.259 0.361 0.000 0.000 -0.000 3/21870 670.0 0.255 0.255 0.356 0.000 0.000 -0.000 3/21870 680.0 0.252 0.252 0.351 0.000 0.000 -0.000 3/21870 690.0 0.248 0.248 0.346 0.000 0.000 -0.000 3/21870 700.0 0.245 0.245 0.341 0.000 0.000 -0.000 3/21870 710.0 0.241 0.241 0.336 0.000 0.000 -0.000 3/21870 720.0 0.238 0.238 0.332 0.000 0.000 -0.000 3/21870 730.0 0.235 0.235 0.327 0.000 0.000 -0.000 3/21870 740.0 0.232 0.232 0.323 0.000 0.000 -0.000 3/21870 750.0 0.229 0.229 0.319 0.000 0.000 -0.000 3/21870 760.0 0.226 0.226 0.315 0.000 0.000 -0.000 3/21870 770.0 0.223 0.223 0.311 0.000 0.000 -0.000 3/21870 780.0 0.220 0.220 0.307 0.000 0.000 -0.000 3/21870 790.0 0.218 0.218 0.303 0.000 0.000 -0.000 3/21870 800.0 0.215 0.215 0.299 0.000 0.000 -0.000 3/21870 810.0 0.212 0.212 0.296 0.000 0.000 -0.000 3/21870 820.0 0.210 0.210 0.292 0.000 0.000 -0.000 3/21870 830.0 0.207 0.207 0.289 0.000 0.000 -0.000 3/21870 840.0 0.205 0.205 0.286 0.000 0.000 -0.000 3/21870 850.0 0.203 0.203 0.282 0.000 0.000 -0.000 3/21870 860.0 0.200 0.200 0.279 0.000 0.000 -0.000 3/21870 870.0 0.198 0.198 0.276 0.000 0.000 -0.000 3/21870 880.0 0.196 0.196 0.273 0.000 0.000 -0.000 3/21870 890.0 0.194 0.194 0.270 0.000 0.000 -0.000 3/21870 900.0 0.192 0.192 0.267 0.000 0.000 -0.000 3/21870 910.0 0.190 0.190 0.264 0.000 0.000 -0.000 3/21870 920.0 0.188 0.188 0.261 0.000 0.000 -0.000 3/21870 930.0 0.186 0.186 0.258 0.000 0.000 -0.000 3/21870 940.0 0.184 0.184 0.256 0.000 0.000 -0.000 3/21870 950.0 0.182 0.182 0.253 0.000 0.000 -0.000 3/21870 960.0 0.180 0.180 0.251 0.000 0.000 -0.000 3/21870 970.0 0.178 0.178 0.248 0.000 0.000 -0.000 3/21870 980.0 0.176 0.176 0.246 0.000 0.000 -0.000 3/21870 990.0 0.175 0.175 0.243 0.000 0.000 -0.000 3/21870 1000.0 0.173 0.173 0.241 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 00:22:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|