----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:09:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 216 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.783280562336616 0.000000000000000 0.000000000000000 b -1.891640281168308 3.276417076627386 0.000000000000000 c 0.000000000000000 0.000000000000000 6.552083450000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.62954011647431 15.999 2 O 0.33333333333333 0.66666666666667 0.37045988352569 15.999 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *4 Tb 0.66666666666667 0.33333333333333 0.28175640654939 158.925 5 Tb 0.33333333333333 0.66666666666667 0.71824359345061 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.783280562336616 0.000000000000000 0.000000000000000 b -1.891640281168308 3.276417076627386 0.000000000000000 c 0.000000000000000 0.000000000000000 6.552083450000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.62954011647431 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.37045988352569 15.999 > 2 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 *4 Tb 0.66666666666667 0.33333333333333 0.28175640654939 158.925 > 4 5 Tb 0.33333333333333 0.66666666666667 0.71824359345061 158.925 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.349841687009848 0.000000000000000 0.000000000000000 b -5.674920843504924 9.829251229882159 0.000000000000000 c 0.000000000000000 0.000000000000000 13.104166899999999 Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.31477005823716 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31477005823716 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31477005823716 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31477005823716 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31477005823716 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31477005823716 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31477005823716 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31477005823716 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31477005823716 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81477005823716 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81477005823716 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81477005823716 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81477005823716 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81477005823716 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81477005823716 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81477005823716 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81477005823716 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81477005823716 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18522994176284 15.999 > 2 20 O 0.44444444444444 0.22222222222222 0.18522994176284 15.999 > 2 21 O 0.77777777777778 0.22222222222222 0.18522994176284 15.999 > 2 22 O 0.11111111111111 0.55555555555556 0.18522994176284 15.999 > 2 23 O 0.44444444444444 0.55555555555556 0.18522994176284 15.999 > 2 24 O 0.77777777777778 0.55555555555556 0.18522994176284 15.999 > 2 25 O 0.11111111111111 0.88888888888889 0.18522994176284 15.999 > 2 26 O 0.44444444444444 0.88888888888889 0.18522994176284 15.999 > 2 27 O 0.77777777777778 0.88888888888889 0.18522994176284 15.999 > 2 28 O 0.11111111111111 0.22222222222222 0.68522994176284 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.68522994176284 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.68522994176284 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.68522994176284 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.68522994176284 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.68522994176284 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.68522994176284 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.68522994176284 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.68522994176284 15.999 > 2 *37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 3 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 3 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 3 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 3 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 3 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 3 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 3 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 3 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 3 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 3 *55 Tb 0.22222222222222 0.11111111111111 0.14087820327470 158.925 > 4 56 Tb 0.55555555555556 0.11111111111111 0.14087820327470 158.925 > 4 57 Tb 0.88888888888889 0.11111111111111 0.14087820327470 158.925 > 4 58 Tb 0.22222222222222 0.44444444444444 0.14087820327470 158.925 > 4 59 Tb 0.55555555555556 0.44444444444444 0.14087820327470 158.925 > 4 60 Tb 0.88888888888889 0.44444444444444 0.14087820327470 158.925 > 4 61 Tb 0.22222222222222 0.77777777777778 0.14087820327470 158.925 > 4 62 Tb 0.55555555555556 0.77777777777778 0.14087820327470 158.925 > 4 63 Tb 0.88888888888889 0.77777777777778 0.14087820327470 158.925 > 4 64 Tb 0.22222222222222 0.11111111111111 0.64087820327470 158.925 > 4 65 Tb 0.55555555555556 0.11111111111111 0.64087820327470 158.925 > 4 66 Tb 0.88888888888889 0.11111111111111 0.64087820327470 158.925 > 4 67 Tb 0.22222222222222 0.44444444444444 0.64087820327470 158.925 > 4 68 Tb 0.55555555555556 0.44444444444444 0.64087820327470 158.925 > 4 69 Tb 0.88888888888889 0.44444444444444 0.64087820327470 158.925 > 4 70 Tb 0.22222222222222 0.77777777777778 0.64087820327470 158.925 > 4 71 Tb 0.55555555555556 0.77777777777778 0.64087820327470 158.925 > 4 72 Tb 0.88888888888889 0.77777777777778 0.64087820327470 158.925 > 4 73 Tb 0.11111111111111 0.22222222222222 0.35912179672530 158.925 > 5 74 Tb 0.44444444444444 0.22222222222222 0.35912179672530 158.925 > 5 75 Tb 0.77777777777778 0.22222222222222 0.35912179672530 158.925 > 5 76 Tb 0.11111111111111 0.55555555555556 0.35912179672530 158.925 > 5 77 Tb 0.44444444444444 0.55555555555556 0.35912179672530 158.925 > 5 78 Tb 0.77777777777778 0.55555555555556 0.35912179672530 158.925 > 5 79 Tb 0.11111111111111 0.88888888888889 0.35912179672530 158.925 > 5 80 Tb 0.44444444444444 0.88888888888889 0.35912179672530 158.925 > 5 81 Tb 0.77777777777778 0.88888888888889 0.35912179672530 158.925 > 5 82 Tb 0.11111111111111 0.22222222222222 0.85912179672530 158.925 > 5 83 Tb 0.44444444444444 0.22222222222222 0.85912179672530 158.925 > 5 84 Tb 0.77777777777778 0.22222222222222 0.85912179672530 158.925 > 5 85 Tb 0.11111111111111 0.55555555555556 0.85912179672530 158.925 > 5 86 Tb 0.44444444444444 0.55555555555556 0.85912179672530 158.925 > 5 87 Tb 0.77777777777778 0.55555555555556 0.85912179672530 158.925 > 5 88 Tb 0.11111111111111 0.88888888888889 0.85912179672530 158.925 > 5 89 Tb 0.44444444444444 0.88888888888889 0.85912179672530 158.925 > 5 90 Tb 0.77777777777778 0.88888888888889 0.85912179672530 158.925 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3538021 -0.0000000 0.0000000 0.0000000 5.3538021 0.0000000 0.0000000 0.0000000 5.2426123 -------------------------- Born effective charges -------------------------- 1 O -2.6795390 0.0000000 0.0000000 -0.0000000 -2.6795390 0.0000000 0.0000000 0.0000000 -2.7392569 2 O -2.6795390 0.0000000 0.0000000 -0.0000000 -2.6795390 0.0000000 0.0000000 0.0000000 -2.7392569 3 S -2.1921414 0.0000000 0.0000000 0.0000000 -2.1921414 0.0000000 0.0000000 0.0000000 -2.2815069 4 Tb 3.7756097 -0.0000000 0.0000000 -0.0000000 3.7756097 0.0000000 0.0000000 0.0000000 3.8800104 5 Tb 3.7756097 -0.0000000 0.0000000 -0.0000000 3.7756097 0.0000000 0.0000000 0.0000000 3.8800104 ---------------------------------------------------------------------------- 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: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 200 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.115 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 200 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), 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 00:09:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:09:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.783280562336616 0.000000000000000 0.000000000000000 b -1.891640281168308 3.276417076627386 0.000000000000000 c 0.000000000000000 0.000000000000000 6.552083450000000 Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.62954011647431 15.999 2 O 0.33333333333333 0.66666666666667 0.37045988352569 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Tb 0.66666666666667 0.33333333333333 0.28175640654939 158.925 5 Tb 0.33333333333333 0.66666666666667 0.71824359345061 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.349841687009848 0.000000000000000 0.000000000000000 b -5.674920843504924 9.829251229882159 0.000000000000000 c 0.000000000000000 0.000000000000000 13.104166899999999 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.31477005823716 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31477005823716 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31477005823716 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31477005823716 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31477005823716 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31477005823716 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31477005823716 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31477005823716 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31477005823716 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81477005823716 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81477005823716 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81477005823716 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81477005823716 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81477005823716 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81477005823716 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81477005823716 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81477005823716 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81477005823716 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18522994176284 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.18522994176284 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.18522994176284 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.18522994176284 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.18522994176284 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.18522994176284 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.18522994176284 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.18522994176284 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.18522994176284 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.68522994176284 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.68522994176284 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.68522994176284 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.68522994176284 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.68522994176284 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.68522994176284 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.68522994176284 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.68522994176284 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.68522994176284 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Tb 0.22222222222222 0.11111111111111 0.14087820327470 158.925 > 55 56 Tb 0.55555555555556 0.11111111111111 0.14087820327470 158.925 > 55 57 Tb 0.88888888888889 0.11111111111111 0.14087820327470 158.925 > 55 58 Tb 0.22222222222222 0.44444444444444 0.14087820327470 158.925 > 55 59 Tb 0.55555555555556 0.44444444444444 0.14087820327470 158.925 > 55 60 Tb 0.88888888888889 0.44444444444444 0.14087820327470 158.925 > 55 61 Tb 0.22222222222222 0.77777777777778 0.14087820327470 158.925 > 55 62 Tb 0.55555555555556 0.77777777777778 0.14087820327470 158.925 > 55 63 Tb 0.88888888888889 0.77777777777778 0.14087820327470 158.925 > 55 64 Tb 0.22222222222222 0.11111111111111 0.64087820327470 158.925 > 55 65 Tb 0.55555555555556 0.11111111111111 0.64087820327470 158.925 > 55 66 Tb 0.88888888888889 0.11111111111111 0.64087820327470 158.925 > 55 67 Tb 0.22222222222222 0.44444444444444 0.64087820327470 158.925 > 55 68 Tb 0.55555555555556 0.44444444444444 0.64087820327470 158.925 > 55 69 Tb 0.88888888888889 0.44444444444444 0.64087820327470 158.925 > 55 70 Tb 0.22222222222222 0.77777777777778 0.64087820327470 158.925 > 55 71 Tb 0.55555555555556 0.77777777777778 0.64087820327470 158.925 > 55 72 Tb 0.88888888888889 0.77777777777778 0.64087820327470 158.925 > 55 73 Tb 0.11111111111111 0.22222222222222 0.35912179672530 158.925 > 73 74 Tb 0.44444444444444 0.22222222222222 0.35912179672530 158.925 > 73 75 Tb 0.77777777777778 0.22222222222222 0.35912179672530 158.925 > 73 76 Tb 0.11111111111111 0.55555555555556 0.35912179672530 158.925 > 73 77 Tb 0.44444444444444 0.55555555555556 0.35912179672530 158.925 > 73 78 Tb 0.77777777777778 0.55555555555556 0.35912179672530 158.925 > 73 79 Tb 0.11111111111111 0.88888888888889 0.35912179672530 158.925 > 73 80 Tb 0.44444444444444 0.88888888888889 0.35912179672530 158.925 > 73 81 Tb 0.77777777777778 0.88888888888889 0.35912179672530 158.925 > 73 82 Tb 0.11111111111111 0.22222222222222 0.85912179672530 158.925 > 73 83 Tb 0.44444444444444 0.22222222222222 0.85912179672530 158.925 > 73 84 Tb 0.77777777777778 0.22222222222222 0.85912179672530 158.925 > 73 85 Tb 0.11111111111111 0.55555555555556 0.85912179672530 158.925 > 73 86 Tb 0.44444444444444 0.55555555555556 0.85912179672530 158.925 > 73 87 Tb 0.77777777777778 0.55555555555556 0.85912179672530 158.925 > 73 88 Tb 0.11111111111111 0.88888888888889 0.85912179672530 158.925 > 73 89 Tb 0.44444444444444 0.88888888888889 0.85912179672530 158.925 > 73 90 Tb 0.77777777777778 0.88888888888889 0.85912179672530 158.925 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3538021 -0.0000000 0.0000000 0.0000000 5.3538021 0.0000000 0.0000000 0.0000000 5.2426123 -------------------------- Born effective charges -------------------------- 1 O -2.6795390 0.0000000 0.0000000 -0.0000000 -2.6795390 0.0000000 0.0000000 0.0000000 -2.7392569 2 O -2.6795390 0.0000000 0.0000000 -0.0000000 -2.6795390 0.0000000 0.0000000 0.0000000 -2.7392569 3 S -2.1921414 0.0000000 0.0000000 0.0000000 -2.1921414 0.0000000 0.0000000 0.0000000 -2.2815069 4 Tb 3.7756097 -0.0000000 0.0000000 -0.0000000 3.7756097 0.0000000 0.0000000 0.0000000 3.8800104 5 Tb 3.7756097 -0.0000000 0.0000000 -0.0000000 3.7756097 0.0000000 0.0000000 0.0000000 3.8800104 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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[ 55, 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 00:09:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:09:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.783280562336616 0.000000000000000 0.000000000000000 b -1.891640281168308 3.276417076627386 0.000000000000000 c 0.000000000000000 0.000000000000000 6.552083450000000 Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.62954011647431 15.999 2 O 0.33333333333333 0.66666666666667 0.37045988352569 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Tb 0.66666666666667 0.33333333333333 0.28175640654939 158.925 5 Tb 0.33333333333333 0.66666666666667 0.71824359345061 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.349841687009848 0.000000000000000 0.000000000000000 b -5.674920843504924 9.829251229882159 0.000000000000000 c 0.000000000000000 0.000000000000000 13.104166899999999 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.31477005823716 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31477005823716 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31477005823716 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31477005823716 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31477005823716 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31477005823716 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31477005823716 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31477005823716 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31477005823716 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81477005823716 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81477005823716 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81477005823716 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81477005823716 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81477005823716 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81477005823716 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81477005823716 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81477005823716 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81477005823716 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18522994176284 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.18522994176284 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.18522994176284 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.18522994176284 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.18522994176284 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.18522994176284 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.18522994176284 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.18522994176284 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.18522994176284 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.68522994176284 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.68522994176284 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.68522994176284 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.68522994176284 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.68522994176284 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.68522994176284 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.68522994176284 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.68522994176284 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.68522994176284 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Tb 0.22222222222222 0.11111111111111 0.14087820327470 158.925 > 55 56 Tb 0.55555555555556 0.11111111111111 0.14087820327470 158.925 > 55 57 Tb 0.88888888888889 0.11111111111111 0.14087820327470 158.925 > 55 58 Tb 0.22222222222222 0.44444444444444 0.14087820327470 158.925 > 55 59 Tb 0.55555555555556 0.44444444444444 0.14087820327470 158.925 > 55 60 Tb 0.88888888888889 0.44444444444444 0.14087820327470 158.925 > 55 61 Tb 0.22222222222222 0.77777777777778 0.14087820327470 158.925 > 55 62 Tb 0.55555555555556 0.77777777777778 0.14087820327470 158.925 > 55 63 Tb 0.88888888888889 0.77777777777778 0.14087820327470 158.925 > 55 64 Tb 0.22222222222222 0.11111111111111 0.64087820327470 158.925 > 55 65 Tb 0.55555555555556 0.11111111111111 0.64087820327470 158.925 > 55 66 Tb 0.88888888888889 0.11111111111111 0.64087820327470 158.925 > 55 67 Tb 0.22222222222222 0.44444444444444 0.64087820327470 158.925 > 55 68 Tb 0.55555555555556 0.44444444444444 0.64087820327470 158.925 > 55 69 Tb 0.88888888888889 0.44444444444444 0.64087820327470 158.925 > 55 70 Tb 0.22222222222222 0.77777777777778 0.64087820327470 158.925 > 55 71 Tb 0.55555555555556 0.77777777777778 0.64087820327470 158.925 > 55 72 Tb 0.88888888888889 0.77777777777778 0.64087820327470 158.925 > 55 73 Tb 0.11111111111111 0.22222222222222 0.35912179672530 158.925 > 73 74 Tb 0.44444444444444 0.22222222222222 0.35912179672530 158.925 > 73 75 Tb 0.77777777777778 0.22222222222222 0.35912179672530 158.925 > 73 76 Tb 0.11111111111111 0.55555555555556 0.35912179672530 158.925 > 73 77 Tb 0.44444444444444 0.55555555555556 0.35912179672530 158.925 > 73 78 Tb 0.77777777777778 0.55555555555556 0.35912179672530 158.925 > 73 79 Tb 0.11111111111111 0.88888888888889 0.35912179672530 158.925 > 73 80 Tb 0.44444444444444 0.88888888888889 0.35912179672530 158.925 > 73 81 Tb 0.77777777777778 0.88888888888889 0.35912179672530 158.925 > 73 82 Tb 0.11111111111111 0.22222222222222 0.85912179672530 158.925 > 73 83 Tb 0.44444444444444 0.22222222222222 0.85912179672530 158.925 > 73 84 Tb 0.77777777777778 0.22222222222222 0.85912179672530 158.925 > 73 85 Tb 0.11111111111111 0.55555555555556 0.85912179672530 158.925 > 73 86 Tb 0.44444444444444 0.55555555555556 0.85912179672530 158.925 > 73 87 Tb 0.77777777777778 0.55555555555556 0.85912179672530 158.925 > 73 88 Tb 0.11111111111111 0.88888888888889 0.85912179672530 158.925 > 73 89 Tb 0.44444444444444 0.88888888888889 0.85912179672530 158.925 > 73 90 Tb 0.77777777777778 0.88888888888889 0.85912179672530 158.925 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3538021 -0.0000000 0.0000000 0.0000000 5.3538021 0.0000000 0.0000000 0.0000000 5.2426123 -------------------------- Born effective charges -------------------------- 1 O -2.6795390 0.0000000 0.0000000 -0.0000000 -2.6795390 0.0000000 0.0000000 0.0000000 -2.7392569 2 O -2.6795390 0.0000000 0.0000000 -0.0000000 -2.6795390 0.0000000 0.0000000 0.0000000 -2.7392569 3 S -2.1921414 0.0000000 0.0000000 0.0000000 -2.1921414 0.0000000 0.0000000 0.0000000 -2.2815069 4 Tb 3.7756097 -0.0000000 0.0000000 -0.0000000 3.7756097 0.0000000 0.0000000 0.0000000 3.8800104 5 Tb 3.7756097 -0.0000000 0.0000000 -0.0000000 3.7756097 0.0000000 0.0000000 0.0000000 3.8800104 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 15 15 8 ] 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: 0.96, Number of G-points: 301, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 20.997 12.123 -3.060) 24.438 0.673 ( 28.084 16.214 -0.839) 32.440 1.065 ( 44.952 25.953 1.913) 51.942 3.251 ( 1.719 0.993 0.641) 2.086 3.352 ( 10.057 5.807 -0.649) 11.632 5.785 ( -4.649 -2.684 0.141) 5.370 6.229 ( 1.411 0.814 0.114) 1.633 7.237 ( 2.033 1.174 0.038) 2.348 7.542 ( 0.189 0.109 1.934) 1.947 11.312 ( -2.412 -1.393 1.042) 2.974 12.546 ( -28.026 -16.181 -4.287) 32.645 13.285 ( -1.019 -0.588 -0.985) 1.534 13.670 ( -8.714 -5.031 15.373) 18.374 13.819 ( 21.944 12.669 -2.490) 25.461 15.538 ( 3.737 2.158 -8.812) 9.812 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 21.406 12.359 -2.812) 24.877 1.308 ( 25.741 14.862 -0.433) 29.727 2.101 ( 42.844 24.736 1.003) 49.482 3.310 ( 3.224 1.861 1.371) 3.967 3.678 ( 17.009 9.820 -1.240) 19.679 5.630 ( -8.210 -4.740 1.145) 9.549 6.279 ( 2.823 1.630 0.211) 3.267 7.300 ( 3.078 1.777 -0.269) 3.565 7.546 ( 0.121 0.070 4.438) 4.440 11.220 ( -5.543 -3.200 1.621) 6.603 11.912 ( -25.236 -14.570 -1.445) 29.176 13.260 ( -0.899 -0.519 -1.605) 1.911 13.372 ( -15.507 -8.953 8.238) 19.710 14.281 ( 16.582 9.573 5.849) 20.020 15.642 ( 4.649 2.684 -13.516) 14.543 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 21.206 12.244 -2.785) 24.645 1.876 ( 22.522 13.003 -0.022) 26.006 3.056 ( 37.759 21.800 -1.937) 43.643 3.399 ( 4.286 2.474 2.231) 5.428 4.120 ( 20.042 11.571 -1.217) 23.174 5.416 ( -9.483 -5.475 3.971) 11.648 6.361 ( 4.043 2.334 0.290) 4.678 7.369 ( 2.551 1.473 -0.517) 2.991 7.549 ( 0.212 0.122 7.044) 7.048 11.046 ( -9.282 -5.359 1.482) 10.820 11.385 ( -19.216 -11.095 0.407) 22.193 12.968 ( -18.429 -10.640 5.922) 22.088 13.254 ( 0.646 0.373 -1.633) 1.796 14.595 ( 10.324 5.961 6.288) 13.478 15.740 ( 3.454 1.994 -14.810) 15.337 ======================= Grid point 4 (5/192) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 19.607 11.320 -3.066) 22.847 2.365 ( 19.195 11.083 0.023) 22.165 3.506 ( 4.702 2.715 3.075) 6.240 3.815 ( 24.754 14.292 -9.150) 30.012 4.604 ( 21.176 12.226 1.119) 24.478 5.225 ( -5.430 -3.135 9.191) 11.126 6.465 ( 4.703 2.715 0.363) 5.443 7.403 ( 0.126 0.073 2.358) 2.362 7.568 ( 1.586 0.916 5.998) 6.272 10.790 ( -12.239 -7.066 0.836) 14.158 11.019 ( -11.850 -6.841 1.059) 13.724 12.522 ( -19.238 -11.107 3.258) 22.452 13.293 ( 2.607 1.505 -1.211) 3.244 14.778 ( 5.492 3.171 6.177) 8.852 15.799 ( 1.549 0.895 -14.236) 14.348 ======================= Grid point 5 (6/192) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 16.109 9.300 -3.298) 18.891 2.782 ( 16.350 9.440 -0.492) 18.886 3.614 ( 4.332 2.501 3.499) 6.104 4.124 ( 1.576 0.910 -12.715) 12.844 5.110 ( 20.156 11.637 1.073) 23.298 5.232 ( 7.047 4.068 13.395) 15.673 6.575 ( 4.480 2.586 0.410) 5.189 7.382 ( -1.638 -0.946 6.010) 6.300 7.619 ( 2.534 1.463 2.522) 3.863 10.491 ( -12.663 -7.311 0.191) 14.623 10.825 ( -4.856 -2.804 1.088) 5.712 12.078 ( -18.271 -10.549 0.949) 21.119 13.369 ( 3.606 2.082 -0.706) 4.223 14.868 ( 2.489 1.437 5.685) 6.370 15.816 ( 0.002 0.001 -12.209) 12.209 ======================= Grid point 6 (7/192) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 10.657 6.153 -2.804) 12.621 3.139 ( 14.205 8.201 -1.190) 16.446 3.703 ( 3.114 1.798 2.953) 4.653 4.003 ( -9.348 -5.397 -6.260) 12.478 5.375 ( 7.374 4.257 1.914) 8.727 5.594 ( 15.884 9.171 6.457) 19.445 6.668 ( 3.262 1.883 0.359) 3.783 7.340 ( -1.703 -0.983 5.538) 5.877 7.677 ( 2.188 1.263 0.870) 2.672 10.222 ( -9.656 -5.575 -0.118) 11.151 10.780 ( 0.659 0.380 1.064) 1.308 11.680 ( -15.075 -8.704 -0.506) 17.414 13.450 ( 3.037 1.753 -0.335) 3.523 14.906 ( 0.938 0.541 4.244) 4.380 15.807 ( -0.611 -0.353 -8.462) 8.492 ======================= Grid point 7 (8/192) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 3.733 2.155 -1.141) 4.459 3.454 ( 12.559 7.251 -1.020) 14.538 3.749 ( -11.541 -6.663 -1.223) 13.382 3.754 ( 1.146 0.662 1.185) 1.777 5.498 ( 2.785 1.608 0.576) 3.267 5.854 ( 5.748 3.319 1.996) 6.931 6.721 ( 1.203 0.695 0.148) 1.397 7.310 ( -0.700 -0.404 2.158) 2.305 7.714 ( 0.875 0.505 0.218) 1.034 10.062 ( -3.630 -2.096 -0.085) 4.193 10.827 ( 2.251 1.300 0.667) 2.683 11.404 ( -7.185 -4.148 -0.616) 8.319 13.502 ( 1.175 0.678 -0.096) 1.360 14.919 ( 0.225 0.130 1.603) 1.624 15.794 ( -0.325 -0.188 -3.058) 3.081 ======================= Grid point 16 (9/192) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 12.642 21.897 0.000) 25.284 1.144 ( 15.294 26.490 0.000) 30.588 1.824 ( 25.024 43.342 0.000) 50.047 3.296 ( 1.946 3.370 0.000) 3.891 3.570 ( 8.732 15.124 0.000) 17.464 5.680 ( -4.284 -7.420 0.000) 8.567 6.263 ( 1.438 2.490 0.000) 2.876 7.280 ( 1.643 2.845 0.000) 3.286 7.545 ( 0.066 0.115 0.000) 0.132 11.257 ( -2.405 -4.166 0.000) 4.810 12.082 ( -15.123 -26.193 0.000) 30.246 13.184 ( -4.212 -7.295 0.000) 8.424 13.518 ( -5.388 -9.332 0.000) 10.776 14.200 ( 11.596 20.085 0.000) 23.192 15.601 ( 2.122 3.676 0.000) 4.244 ======================= Grid point 17 (10/192) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 15.798 20.290 -1.449) 25.756 1.683 ( 17.879 20.651 -0.098) 27.315 2.724 ( 30.534 34.370 -0.287) 45.975 3.383 ( 2.775 5.296 1.081) 6.076 3.941 ( 14.885 15.563 -0.786) 21.550 5.495 ( -7.124 -8.243 1.456) 10.992 6.331 ( 2.777 3.417 0.141) 4.405 7.344 ( 2.308 2.379 -0.285) 3.326 7.546 ( 0.048 -0.169 3.363) 3.367 11.134 ( -6.201 -5.408 0.890) 8.276 11.561 ( -16.776 -18.693 -0.076) 25.117 12.974 ( -5.870 -18.165 2.234) 19.220 13.355 ( -6.024 -0.147 0.395) 6.039 14.556 ( 7.853 15.267 4.011) 17.630 15.676 ( 3.684 0.518 -8.391) 9.179 ======================= Grid point 18 (11/192) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 16.009 18.911 -2.100) 24.866 2.180 ( 17.034 16.171 0.042) 23.488 3.469 ( 8.273 8.184 1.088) 11.688 3.574 ( 21.219 23.902 -3.448) 32.147 4.386 ( 18.013 14.111 -0.046) 22.882 5.287 ( -6.740 -6.733 5.161) 10.834 6.428 ( 3.678 4.244 0.244) 5.621 7.397 ( 1.243 1.091 0.389) 1.699 7.549 ( 0.806 -0.132 5.413) 5.474 10.927 ( -10.323 -6.454 0.887) 12.207 11.140 ( -12.606 -12.390 0.655) 17.687 12.623 ( -10.980 -19.794 2.834) 22.812 13.311 ( -1.220 3.056 -0.823) 3.393 14.784 ( 2.806 11.300 5.840) 13.026 15.735 ( 3.974 -2.535 -11.965) 12.860 ======================= Grid point 19 (12/192) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 14.033 16.848 -2.610) 22.081 2.611 ( 15.328 12.701 -0.151) 19.907 3.598 ( 2.790 5.786 2.938) 7.063 4.094 ( 8.965 12.514 -12.192) 19.637 4.866 ( 20.962 13.146 3.731) 25.022 5.181 ( 0.918 -0.594 9.546) 9.609 6.540 ( 3.763 4.689 0.325) 6.022 7.400 ( -1.102 -0.313 4.157) 4.312 7.580 ( 2.589 0.250 3.201) 4.124 10.650 ( -12.943 -6.745 0.394) 14.600 10.872 ( -6.360 -7.338 0.903) 9.753 12.212 ( -13.338 -17.863 1.487) 22.343 13.357 ( 1.771 4.259 -0.827) 4.687 14.897 ( -0.544 7.741 6.323) 10.010 15.764 ( 3.276 -4.232 -12.335) 13.446 ======================= Grid point 20 (13/192) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 9.904 13.767 -2.750) 17.181 2.981 ( 13.674 9.885 -0.648) 16.885 3.690 ( 1.818 3.885 2.848) 5.149 4.146 ( -7.983 2.686 -9.266) 12.522 5.290 ( 7.563 5.545 2.425) 9.687 5.368 ( 19.808 9.041 8.594) 23.408 6.648 ( 2.856 4.547 0.351) 5.381 7.364 ( -2.003 -0.819 5.725) 6.120 7.635 ( 3.136 0.196 1.109) 3.332 10.359 ( -12.070 -5.779 -0.018) 13.382 10.760 ( -0.438 -3.467 0.943) 3.620 11.808 ( -12.922 -15.084 0.014) 19.862 13.443 ( 2.158 5.173 -0.545) 5.631 14.936 ( -1.784 4.632 5.500) 7.409 15.768 ( 2.362 -4.478 -10.134) 11.328 ======================= Grid point 21 (14/192) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 3.924 9.867 -1.941) 10.794 3.295 ( 12.273 6.618 -0.805) 13.967 3.719 ( -0.747 -1.972 1.032) 2.348 3.994 ( -11.907 6.668 -2.651) 13.902 5.450 ( 5.137 2.863 1.496) 6.069 5.730 ( 12.241 4.012 3.545) 13.361 6.726 ( 1.010 3.788 0.244) 3.928 7.324 ( -1.427 -0.666 3.758) 4.074 7.685 ( 2.357 -0.283 0.346) 2.399 10.135 ( -7.504 -3.036 -0.118) 8.096 10.770 ( 3.607 -1.379 0.889) 3.963 11.474 ( -9.008 -11.003 -0.714) 14.238 13.522 ( 0.357 5.305 -0.270) 5.324 14.940 ( -1.560 2.420 3.250) 4.342 15.761 ( 1.864 -3.910 -5.735) 7.187 ======================= Grid point 22 (15/192) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -3.239 5.611 0.000) 6.479 3.500 ( 2.479 -4.294 -0.000) 4.959 3.635 ( 0.023 -0.041 -0.000) 0.047 3.925 ( -7.481 12.958 -0.000) 14.962 5.512 ( 0.194 -0.336 0.000) 0.388 5.861 ( 1.539 -2.665 0.000) 3.077 6.755 ( -1.447 2.506 0.000) 2.893 7.307 ( -0.012 0.021 0.000) 0.024 7.706 ( 0.696 -1.205 -0.000) 1.392 10.051 ( -0.568 0.984 -0.000) 1.136 10.810 ( 1.665 -2.884 -0.000) 3.330 11.322 ( 2.136 -3.700 0.000) 4.273 13.554 ( -2.456 4.254 0.000) 4.912 14.938 ( -1.002 1.736 -0.000) 2.005 15.757 ( 1.974 -3.420 -0.000) 3.949 ======================= Grid point 33 (16/192) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 13.023 22.556 0.000) 26.046 2.110 ( 11.954 20.705 0.000) 23.908 3.401 ( 14.224 24.637 0.000) 28.448 3.546 ( 9.529 16.504 0.000) 19.057 4.291 ( 10.591 18.344 0.000) 21.182 5.314 ( -5.165 -8.947 0.000) 10.331 6.417 ( 2.917 5.053 0.000) 5.834 7.389 ( 1.097 1.900 0.000) 2.194 7.541 ( -0.120 -0.208 0.000) 0.241 10.991 ( -5.117 -8.863 0.000) 10.234 11.193 ( -9.623 -16.667 0.000) 19.246 12.599 ( -10.758 -18.633 0.000) 21.515 13.346 ( 0.010 0.017 0.000) 0.019 14.838 ( 6.673 11.559 0.000) 13.347 15.669 ( -0.560 -0.970 0.000) 1.120 ======================= Grid point 34 (17/192) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 12.730 20.889 -0.941) 24.480 2.513 ( 12.300 16.277 -0.014) 20.402 3.608 ( 3.295 6.206 1.073) 7.108 4.084 ( 13.160 23.574 -5.402) 27.533 4.676 ( 14.709 13.897 2.307) 20.367 5.174 ( -1.867 -3.210 3.495) 5.099 6.531 ( 3.521 5.821 0.120) 6.804 7.411 ( -0.129 0.267 1.271) 1.306 7.546 ( 1.117 -0.040 1.670) 2.010 10.776 ( -9.038 -8.499 0.260) 12.409 10.901 ( -7.274 -10.689 0.321) 12.933 12.216 ( -10.402 -19.790 0.703) 22.368 13.375 ( 1.313 3.687 -0.391) 3.934 15.011 ( 0.278 10.299 4.319) 11.171 15.648 ( 2.214 -5.631 -6.763) 9.075 ======================= Grid point 35 (18/192) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 9.906 18.157 -1.652) 20.750 2.872 ( 11.578 12.857 -0.075) 17.302 3.700 ( 1.471 3.081 1.526) 3.739 4.332 ( -4.286 11.682 -9.612) 15.724 5.102 ( 19.257 8.138 9.037) 22.776 5.231 ( 6.096 6.703 1.620) 9.204 6.652 ( 3.054 6.105 0.205) 6.830 7.389 ( -1.724 -0.952 3.777) 4.260 7.582 ( 2.726 0.189 0.698) 2.821 10.507 ( -11.504 -7.522 0.059) 13.745 10.733 ( -2.217 -5.986 0.551) 6.407 11.836 ( -10.300 -18.501 0.249) 21.177 13.463 ( 2.596 6.308 -0.540) 6.843 15.063 ( -4.555 8.012 6.494) 11.275 15.639 ( 4.520 -7.609 -9.503) 12.986 ======================= Grid point 36 (19/192) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 5.183 14.627 -2.116) 15.661 3.177 ( 9.913 9.299 0.342) 13.596 3.714 ( -0.592 -1.845 0.563) 2.018 4.296 ( -10.897 12.308 -4.685) 17.093 5.373 ( 7.673 2.819 4.501) 9.332 5.529 ( 14.725 5.887 2.086) 15.995 6.755 ( 1.523 5.793 0.211) 5.993 7.342 ( -1.805 -1.558 3.725) 4.423 7.635 ( 2.854 0.125 0.191) 2.863 10.250 ( -9.564 -5.061 -0.075) 10.820 10.692 ( 2.287 -3.025 0.678) 3.852 11.492 ( -8.519 -15.504 -0.416) 17.695 13.577 ( 1.571 7.809 -0.472) 7.979 15.035 ( -5.245 4.741 5.128) 8.734 15.648 ( 4.647 -6.947 -7.361) 11.138 ======================= Grid point 37 (20/192) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -1.432 11.140 -1.193) 11.295 3.393 ( 6.697 2.745 0.778) 7.280 3.654 ( -2.384 -2.924 -0.497) 3.805 4.245 ( -10.939 16.303 -0.944) 19.656 5.486 ( 2.924 0.635 1.064) 3.176 5.752 ( 7.694 -1.904 1.041) 7.994 6.816 ( -0.941 4.846 0.089) 4.937 7.305 ( -0.416 -1.405 1.490) 2.090 7.674 ( 1.543 -0.514 0.055) 1.627 10.093 ( -4.016 -1.253 -0.047) 4.207 10.728 ( 3.810 -2.474 0.454) 4.565 11.253 ( -2.254 -10.360 -0.432) 10.612 13.657 ( -1.808 7.565 -0.201) 7.781 14.997 ( -3.186 3.135 1.873) 4.846 15.657 ( 3.855 -6.160 -2.666) 7.741 ======================= Grid point 49 (21/192) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 10.813 18.729 0.000) 21.626 2.837 ( 8.950 15.501 0.000) 17.899 3.701 ( 1.398 2.422 0.000) 2.797 4.463 ( 6.971 12.074 0.000) 13.942 4.939 ( 7.204 12.478 0.000) 14.408 5.212 ( 4.261 7.380 0.000) 8.522 6.657 ( 3.662 6.343 0.000) 7.324 7.401 ( -0.854 -1.480 0.000) 1.708 7.557 ( 0.768 1.330 0.000) 1.536 10.577 ( -6.413 -11.107 0.000) 12.825 10.722 ( -3.765 -6.520 0.000) 7.529 11.827 ( -10.606 -18.370 0.000) 21.212 13.473 ( 3.489 6.043 0.000) 6.978 15.180 ( 3.280 5.680 0.000) 6.559 15.526 ( -3.176 -5.501 0.000) 6.352 ======================= Grid point 50 (22/192) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 7.560 14.362 -1.124) 16.269 3.139 ( 8.089 13.543 0.628) 15.787 3.703 ( -0.835 -2.463 0.056) 2.601 4.588 ( -5.039 13.181 -4.095) 14.693 5.202 ( 12.319 3.542 5.303) 13.872 5.413 ( 7.181 8.563 -0.470) 11.185 6.780 ( 2.787 6.316 0.077) 6.904 7.353 ( -1.853 -2.754 1.596) 3.683 7.599 ( 2.067 1.611 0.020) 2.620 10.343 ( -7.996 -8.417 -0.020) 11.609 10.640 ( -0.143 -2.959 0.247) 2.973 11.475 ( -8.764 -16.745 -0.115) 18.900 13.613 ( 3.710 8.268 -0.264) 9.066 15.209 ( -6.929 6.140 5.978) 11.020 15.469 ( 5.454 -8.735 -6.847) 12.366 ======================= Grid point 51 (23/192) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 4.131 10.993 -2.617) 12.031 3.361 ( 2.882 8.722 3.090) 9.692 3.647 ( -0.823 -3.889 -1.143) 4.136 4.608 ( -9.644 17.172 -2.213) 19.819 5.405 ( 7.869 0.454 3.432) 8.597 5.591 ( 7.313 0.017 -0.313) 7.320 6.876 ( 0.691 5.939 0.058) 5.979 7.292 ( -1.035 -3.476 1.414) 3.893 7.649 ( 1.630 1.260 0.034) 2.061 10.153 ( -5.486 -4.401 -0.029) 7.033 10.649 ( 2.833 -0.907 0.377) 2.998 11.192 ( -5.028 -13.723 -0.353) 14.619 13.749 ( 1.197 8.704 -0.301) 8.791 15.121 ( -6.959 3.608 3.699) 8.667 15.499 ( 6.056 -7.351 -4.321) 10.459 ======================= Grid point 52 (24/192) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -5.261 9.112 0.000) 10.521 3.408 ( 0.209 -0.362 -0.000) 0.418 3.623 ( 0.345 -0.598 -0.000) 0.690 4.609 ( -10.693 18.521 -0.000) 21.386 5.478 ( 0.800 -1.386 0.000) 1.600 5.657 ( 4.074 -7.056 -0.000) 8.147 6.915 ( -2.681 4.644 0.000) 5.362 7.262 ( 1.612 -2.792 0.000) 3.224 7.672 ( -0.140 0.242 -0.000) 0.280 10.079 ( 0.141 -0.244 -0.000) 0.282 10.683 ( 0.973 -1.686 -0.000) 1.947 11.063 ( 4.627 -8.014 0.000) 9.254 13.808 ( -3.854 6.676 0.000) 7.708 15.073 ( -2.651 4.592 -0.000) 5.303 15.516 ( 4.344 -7.524 -0.000) 8.688 ======================= Grid point 66 (25/192) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 5.473 9.480 0.000) 10.946 3.403 ( 6.488 11.238 0.000) 12.977 3.625 ( -2.598 -4.500 0.000) 5.196 4.832 ( 5.548 9.609 0.000) 11.096 5.281 ( 2.758 4.776 0.000) 5.515 5.533 ( 1.635 2.831 0.000) 3.269 6.902 ( 3.146 5.449 0.000) 6.292 7.281 ( -2.326 -4.029 0.000) 4.652 7.642 ( 1.327 2.298 0.000) 2.653 10.181 ( -4.031 -6.982 0.000) 8.062 10.618 ( 0.480 0.831 0.000) 0.959 11.164 ( -7.826 -13.556 0.000) 15.653 13.784 ( 4.568 7.912 0.000) 9.136 15.295 ( -2.699 -4.675 0.000) 5.398 15.315 ( 0.528 0.914 0.000) 1.055 ======================= Grid point 67 (26/192) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 4.133 5.951 -1.485) 7.397 3.495 ( -5.693 2.033 3.156) 6.820 3.598 ( 3.096 0.896 -1.773) 3.678 4.954 ( -6.175 15.867 -0.773) 17.044 5.401 ( 7.496 -0.546 1.724) 7.711 5.527 ( 0.093 -6.014 -0.820) 6.071 6.993 ( 0.266 5.549 -0.022) 5.555 7.206 ( -0.360 -4.816 0.224) 4.835 7.679 ( 0.444 1.337 0.011) 1.409 10.079 ( -1.606 -2.664 -0.002) 3.110 10.665 ( 1.797 2.673 0.112) 3.222 10.942 ( -2.235 -10.729 -0.116) 10.960 13.907 ( 0.494 6.097 -0.069) 6.117 15.186 ( -5.353 3.036 1.344) 6.299 15.360 ( 4.917 -6.113 -1.401) 7.970 ======================= Grid point 82 (27/192) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( -1.669 -2.891 0.000) 3.338 3.461 ( 1.669 2.891 0.000) 3.338 3.634 ( -0.000 -0.000 0.000) 0.000 5.170 ( -0.000 -0.000 0.000) 0.000 5.403 ( -1.236 -2.141 0.000) 2.472 5.403 ( 1.236 2.141 0.000) 2.472 7.102 ( -2.617 -4.533 0.000) 5.235 7.102 ( 2.617 4.533 0.000) 5.235 7.694 ( -0.000 -0.000 0.000) 0.000 10.051 ( -0.000 -0.000 0.000) 0.000 10.762 ( -3.425 -5.933 0.000) 6.851 10.762 ( 3.425 5.933 0.000) 6.851 13.973 ( -0.000 -0.000 0.000) 0.000 15.256 ( -2.049 -3.549 0.000) 4.098 15.256 ( 2.049 3.549 0.000) 4.098 ======================= Grid point 241 (28/192) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 0.000 31.581) 31.581 0.615 ( 0.000 -0.000 31.581) 31.581 0.980 ( -0.000 0.000 50.719) 50.719 3.180 ( -0.000 0.000 -5.291) 5.291 3.180 ( 0.000 -0.000 -5.291) 5.291 5.712 ( 0.000 0.000 -13.154) 13.154 6.209 ( 0.000 0.000 -0.372) 0.372 6.209 ( 0.000 -0.000 -0.372) 0.372 9.798 ( 0.000 -0.000 2.369) 2.369 11.362 ( 0.000 0.000 2.274) 2.274 11.362 ( 0.000 -0.000 2.274) 2.274 13.282 ( 0.000 0.000 -1.675) 1.675 13.282 ( 0.000 -0.000 -1.675) 1.675 13.785 ( 0.000 0.000 -0.617) 0.617 16.363 ( -0.000 -0.000 0.499) 0.499 ======================= Grid point 242 (29/192) ======================= q-point: ( 0.07 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 11.991 6.923 23.779) 27.516 0.779 ( 17.922 10.347 18.618) 27.837 1.516 ( 33.282 19.216 34.165) 51.422 3.213 ( 2.377 1.372 -4.537) 5.303 3.292 ( 9.786 5.650 -5.557) 12.592 5.663 ( -3.595 -2.076 -12.234) 12.919 6.227 ( 1.456 0.841 -0.331) 1.713 6.574 ( 20.526 11.851 -20.184) 31.132 8.518 ( -43.080 -24.872 39.013) 63.218 11.350 ( -1.971 -1.138 2.794) 3.604 12.186 ( 5.142 2.969 -20.480) 21.323 13.253 ( -1.498 -0.865 -2.221) 2.815 13.372 ( 7.467 4.311 -12.541) 15.219 13.977 ( 17.368 10.027 1.298) 20.097 15.879 ( -23.341 -13.476 21.196) 34.288 ======================= Grid point 243 (30/192) ======================= q-point: ( 0.13 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 17.634 10.181 14.009) 24.715 1.315 ( 24.682 14.250 4.580) 28.866 2.336 ( 34.953 20.180 19.593) 44.865 3.290 ( 4.108 2.372 -3.407) 5.840 3.618 ( 17.418 10.057 -4.637) 20.641 5.556 ( -5.210 -3.008 -8.576) 10.476 6.278 ( 2.824 1.630 -0.376) 3.282 6.980 ( 13.897 8.024 -18.233) 24.289 7.906 ( -14.622 -8.442 18.031) 24.702 11.262 ( -5.706 -3.294 2.537) 7.060 11.902 ( -19.407 -11.205 0.780) 22.423 13.222 ( -0.887 -0.512 -2.149) 2.381 13.324 ( -10.427 -6.020 -9.917) 15.598 14.468 ( 19.362 11.179 7.732) 23.656 15.535 ( -7.058 -4.075 3.960) 9.061 ======================= Grid point 244 (31/192) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 18.827 10.870 7.707) 23.065 1.875 ( 22.437 12.954 1.144) 25.933 3.101 ( 28.938 16.707 4.596) 33.729 3.403 ( 5.387 3.110 -1.844) 6.488 4.088 ( 22.229 12.834 -1.135) 25.693 5.438 ( -4.261 -2.460 -1.752) 5.223 6.359 ( 4.018 2.320 -0.491) 4.666 7.241 ( 8.561 4.942 -10.104) 14.135 7.691 ( -5.034 -2.907 5.274) 7.849 11.078 ( -9.882 -5.705 1.696) 11.536 11.444 ( -18.343 -10.590 5.316) 21.838 12.976 ( -17.889 -10.328 -4.947) 21.241 13.222 ( 1.047 0.605 -1.569) 1.981 14.814 ( 10.315 5.955 14.430) 18.711 15.473 ( 0.467 0.270 -11.180) 11.193 ======================= Grid point 245 (32/192) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 17.645 10.187 3.015) 20.597 2.357 ( 18.565 10.719 -0.484) 21.443 3.537 ( 5.820 3.360 0.046) 6.720 3.646 ( 16.717 9.652 -8.634) 21.147 4.637 ( 23.550 13.597 2.808) 27.338 5.387 ( 0.706 0.407 6.905) 6.953 6.462 ( 4.675 2.699 -0.630) 5.434 7.388 ( 4.083 2.357 -4.096) 6.246 7.631 ( -0.654 -0.378 0.659) 1.003 10.807 ( -12.806 -7.393 0.888) 14.813 11.074 ( -12.791 -7.385 4.269) 15.374 12.525 ( -19.884 -11.480 -3.022) 23.159 13.272 ( 3.051 1.762 -0.936) 3.646 14.977 ( 4.101 2.367 14.222) 14.990 15.512 ( 2.268 1.310 -14.978) 15.205 ======================= Grid point 246 (33/192) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 14.648 8.457 -0.824) 16.934 2.751 ( 15.187 8.768 -2.586) 17.726 3.667 ( 5.077 2.931 1.906) 6.164 3.881 ( 3.861 2.229 -11.533) 12.365 5.126 ( 16.377 9.455 1.234) 18.951 5.506 ( 9.803 5.660 13.380) 17.526 6.571 ( 4.424 2.554 -0.767) 5.165 7.444 ( 0.907 0.524 -0.598) 1.206 7.637 ( 0.796 0.460 0.148) 0.931 10.499 ( -12.878 -7.435 0.595) 14.882 10.853 ( -5.991 -3.459 1.598) 7.100 12.063 ( -19.048 -10.998 -2.447) 22.131 13.356 ( 3.884 2.242 -0.585) 4.523 15.027 ( 0.496 0.286 10.317) 10.333 15.569 ( 2.602 1.502 -12.551) 12.905 ======================= Grid point 247 (34/192) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 10.199 5.888 -3.571) 12.306 3.082 ( 13.207 7.625 -4.895) 16.016 3.765 ( 3.042 1.757 3.220) 4.766 3.867 ( -4.154 -2.398 -6.512) 8.088 5.394 ( 7.579 4.376 0.476) 8.765 5.786 ( 11.388 6.575 11.797) 17.666 6.662 ( 3.119 1.801 -0.937) 3.721 7.434 ( -1.681 -0.971 2.990) 3.564 7.661 ( 1.155 0.667 -1.512) 2.016 10.229 ( -9.548 -5.512 0.813) 11.055 10.786 ( -0.038 -0.022 -0.506) 0.508 11.650 ( -15.510 -8.954 -2.471) 18.079 13.442 ( 3.177 1.834 -0.488) 3.701 15.012 ( -1.544 -0.892 6.125) 6.379 15.638 ( 3.331 1.923 -8.203) 9.060 ======================= Grid point 248 (35/192) ======================= q-point: ( 0.47 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 4.662 2.692 -4.592) 7.076 3.377 ( 11.502 6.641 -7.482) 15.244 3.723 ( -7.103 -4.101 -0.245) 8.206 3.802 ( -0.007 -0.004 3.446) 3.446 5.508 ( 2.133 1.232 0.258) 2.477 5.960 ( 2.642 1.526 8.369) 8.908 6.711 ( 0.982 0.567 -1.162) 1.624 7.376 ( -2.986 -1.724 4.068) 5.332 7.681 ( 0.313 0.181 -3.186) 3.206 10.073 ( -3.440 -1.986 1.183) 4.144 10.816 ( 1.296 0.748 -1.743) 2.297 11.375 ( -6.529 -3.770 -2.319) 7.888 13.496 ( 1.290 0.745 -0.451) 1.556 14.965 ( -2.296 -1.326 2.923) 3.946 15.727 ( 4.202 2.426 -3.651) 6.072 ======================= Grid point 249 (36/192) ======================= q-point: (-0.47 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -1.677 -0.968 -3.338) 3.859 3.423 ( -9.545 -5.511 -4.758) 12.004 3.749 ( 11.437 6.603 -0.415) 13.213 3.764 ( -3.116 -1.799 2.128) 4.180 5.490 ( -3.816 -2.203 -0.430) 4.428 5.895 ( -8.200 -4.734 6.030) 11.225 6.706 ( -1.384 -0.799 -1.360) 2.099 7.306 ( -2.740 -1.582 1.726) 3.604 7.669 ( -1.417 -0.818 -4.305) 4.605 10.076 ( 3.648 2.106 1.295) 4.407 10.794 ( -2.700 -1.559 -2.568) 4.039 11.396 ( 7.704 4.448 -1.533) 9.027 13.499 ( -0.996 -0.575 -0.314) 1.193 14.912 ( -2.149 -1.241 0.902) 2.640 15.831 ( 4.523 2.611 0.540) 5.250 ======================= Grid point 250 (37/192) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -8.455 -4.881 0.049) 9.763 3.136 ( -13.945 -8.051 -1.390) 16.163 3.666 ( -4.942 -2.853 -0.617) 5.739 4.048 ( 12.618 7.285 -2.243) 14.741 5.326 ( -10.185 -5.880 -2.124) 11.951 5.588 ( -17.228 -9.947 5.342) 20.598 6.650 ( -3.307 -1.909 -1.420) 4.074 7.258 ( -1.134 -0.654 -2.470) 2.795 7.615 ( -3.098 -1.789 -5.401) 6.479 10.233 ( 9.378 5.415 0.966) 10.872 10.751 ( -0.011 -0.006 -1.776) 1.777 11.668 ( 14.260 8.233 -1.790) 16.563 13.453 ( -2.748 -1.586 -0.011) 3.173 14.865 ( -1.864 -1.076 -0.013) 2.153 15.931 ( 3.821 2.206 4.065) 5.999 ======================= Grid point 251 (38/192) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -14.445 -8.340 4.215) 17.204 2.779 ( -16.401 -9.469 -0.366) 18.941 3.544 ( -5.235 -3.022 -3.438) 6.954 4.264 ( 2.155 1.244 -1.794) 3.068 5.008 ( -16.470 -9.509 -2.647) 19.201 5.170 ( -14.722 -8.500 3.573) 17.371 6.557 ( -4.406 -2.544 -1.324) 5.257 7.261 ( 1.491 0.861 -5.704) 5.959 7.525 ( -4.523 -2.612 -7.074) 8.794 10.493 ( 12.144 7.011 0.316) 14.026 10.818 ( 5.992 3.459 0.410) 6.931 12.032 ( 16.336 9.432 -3.515) 19.188 13.380 ( -3.224 -1.861 0.417) 3.746 14.817 ( -2.444 -1.411 0.132) 2.825 16.001 ( 2.022 1.167 6.642) 7.040 ======================= Grid point 252 (39/192) ======================= q-point: (-0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -18.154 -10.481 8.092) 22.470 2.363 ( -19.153 -11.058 0.348) 22.118 3.425 ( -4.802 -2.772 -5.120) 7.547 3.948 ( -27.266 -15.742 1.905) 31.542 4.596 ( -19.083 -11.017 1.658) 22.097 5.080 ( 6.333 3.656 -4.996) 8.856 6.450 ( -4.577 -2.643 -1.126) 5.404 7.315 ( 1.237 0.714 -6.436) 6.593 7.417 ( -2.748 -1.587 -8.679) 9.241 10.779 ( 11.737 6.776 -0.303) 13.556 11.043 ( 13.294 7.675 3.513) 15.747 12.419 ( 16.348 9.438 -6.802) 20.065 13.313 ( -2.285 -1.319 0.782) 2.752 14.736 ( -4.822 -2.784 1.170) 5.690 16.020 ( -0.486 -0.281 8.226) 8.245 ======================= Grid point 253 (40/192) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -19.223 -11.098 12.141) 25.300 1.874 ( -22.486 -12.982 0.956) 25.982 3.180 ( -35.846 -20.696 9.158) 42.393 3.321 ( -4.026 -2.325 -5.784) 7.421 4.122 ( -20.583 -11.883 -0.593) 23.774 5.297 ( 10.085 5.823 -8.019) 14.139 6.349 ( -3.911 -2.258 -0.892) 4.603 7.193 ( -8.758 -5.057 -13.924) 17.209 7.522 ( 8.912 5.145 0.850) 10.326 11.027 ( 9.181 5.300 -0.438) 10.610 11.442 ( 20.418 11.789 6.397) 24.430 12.788 ( 14.743 8.512 -11.432) 20.506 13.279 ( -0.661 -0.382 0.777) 1.089 14.574 ( -9.310 -5.375 2.669) 11.076 15.980 ( -2.737 -1.580 9.319) 9.840 ======================= Grid point 254 (41/192) ======================= q-point: (-0.13 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -17.960 -10.369 17.478) 27.121 1.311 ( -25.074 -14.477 3.059) 29.115 2.318 ( -36.726 -21.204 20.094) 46.927 3.239 ( -2.868 -1.656 -5.914) 6.778 3.661 ( -17.906 -10.338 -2.814) 20.867 5.512 ( 7.867 4.542 -10.712) 14.046 6.270 ( -2.699 -1.558 -0.670) 3.188 6.940 ( -13.022 -7.518 -19.818) 24.877 7.821 ( 17.751 10.248 16.054) 26.035 11.206 ( 6.030 3.481 0.152) 6.964 11.965 ( 22.434 12.952 4.694) 26.326 13.088 ( 9.918 5.726 -16.689) 20.240 13.278 ( 0.407 0.235 0.211) 0.515 14.292 ( -14.525 -8.386 3.771) 17.191 15.914 ( -1.826 -1.054 12.084) 12.266 ======================= Grid point 255 (42/192) ======================= q-point: (-0.07 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -19.066 -11.008 15.985) 27.207 0.819 ( -13.670 -7.892 25.213) 29.746 1.493 ( -32.325 -18.663 34.589) 50.888 3.189 ( -1.314 -0.759 -5.739) 5.937 3.316 ( -10.793 -6.232 -4.402) 13.218 5.657 ( 4.322 2.495 -12.560) 13.515 6.223 ( -1.300 -0.750 -0.491) 1.579 6.561 ( -19.321 -11.155 -19.955) 29.932 8.495 ( 45.181 26.085 39.047) 65.165 11.314 ( 3.275 1.891 1.231) 3.977 12.266 ( -8.907 -5.142 -19.992) 22.482 13.209 ( 1.739 1.004 -11.444) 11.618 13.288 ( 0.226 0.130 -0.739) 0.784 13.946 ( -12.438 -7.181 2.062) 14.509 15.998 ( 12.363 7.138 19.038) 23.796 ======================= Grid point 257 (43/192) ======================= q-point: ( 0.07 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 7.021 19.774 17.310) 27.201 1.155 ( 14.401 24.293 6.057) 28.882 2.098 ( 21.443 34.896 23.548) 47.244 3.249 ( 3.713 2.649 -4.970) 6.745 3.529 ( 7.537 16.512 -4.036) 18.594 5.573 ( -2.401 -6.603 -10.619) 12.733 6.259 ( 1.664 2.340 -0.441) 2.905 6.870 ( 9.916 14.322 -20.592) 26.972 7.978 ( -9.552 -22.175 22.538) 33.030 11.271 ( -0.659 -5.698 1.393) 5.903 12.067 ( -13.637 -16.590 -0.443) 21.480 13.123 ( -1.224 -10.451 -6.628) 12.436 13.374 ( 2.389 -3.063 -8.739) 9.564 14.271 ( 16.298 15.980 3.754) 23.132 15.755 ( -14.673 1.628 12.198) 19.150 ======================= Grid point 258 (44/192) ======================= q-point: ( 0.13 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 12.108 19.875 10.918) 25.706 1.681 ( 17.939 20.491 1.634) 27.283 2.843 ( 24.524 28.242 10.378) 38.817 3.362 ( 4.671 4.842 -3.278) 7.484 3.906 ( 15.038 17.515 -2.241) 23.193 5.454 ( -2.830 -6.850 -5.576) 9.275 6.328 ( 2.868 3.337 -0.425) 4.421 7.149 ( 8.623 7.994 -13.616) 17.990 7.710 ( -3.876 -9.606 7.893) 13.023 11.155 ( -5.428 -6.857 1.192) 8.826 11.615 ( -16.083 -16.792 5.503) 23.894 12.944 ( -3.090 -19.165 -5.024) 20.052 13.313 ( -4.507 0.463 -4.015) 6.054 14.693 ( 14.130 10.512 7.735) 19.235 15.579 ( -9.741 5.756 -0.591) 11.330 ======================= Grid point 259 (45/192) ======================= q-point: ( 0.20 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 13.118 19.032 6.046) 23.892 2.176 ( 16.812 16.001 0.209) 23.211 3.450 ( 13.887 12.226 -3.042) 18.751 3.528 ( 8.710 13.615 -2.435) 16.345 4.399 ( 20.334 17.161 2.155) 26.694 5.360 ( -0.109 -4.936 2.124) 5.374 6.425 ( 3.683 4.209 -0.507) 5.616 7.332 ( 5.339 3.649 -6.584) 9.229 7.613 ( 0.223 -4.232 0.904) 4.334 10.942 ( -10.201 -7.540 0.577) 12.698 11.201 ( -13.106 -12.808 5.420) 19.110 12.619 ( -9.981 -20.642 -3.295) 23.164 13.284 ( -0.887 3.418 -1.752) 3.942 14.963 ( 5.883 8.170 11.711) 15.444 15.512 ( -2.889 2.162 -10.043) 10.672 ======================= Grid point 260 (46/192) ======================= q-point: ( 0.27 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 11.449 17.313 2.107) 20.863 2.595 ( 14.426 12.373 -1.387) 19.056 3.629 ( 4.541 5.048 0.059) 6.790 3.856 ( 5.861 11.171 -11.747) 17.238 4.928 ( 19.413 14.545 3.244) 24.473 5.383 ( 6.877 -0.676 10.029) 12.179 6.537 ( 3.733 4.662 -0.637) 6.006 7.418 ( 2.450 0.441 -2.715) 3.684 7.609 ( 1.909 -1.383 0.080) 2.359 10.657 ( -12.942 -7.316 0.266) 14.869 10.911 ( -7.386 -8.305 2.915) 11.489 12.205 ( -13.717 -18.249 -2.239) 22.938 13.339 ( 2.101 4.468 -0.877) 5.014 15.076 ( -1.283 6.668 11.988) 13.778 15.513 ( 2.558 -1.558 -13.117) 13.455 ======================= Grid point 261 (47/192) ======================= q-point: ( 0.33 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 7.948 14.444 -1.177) 16.528 2.944 ( 12.441 10.093 -3.294) 16.355 3.733 ( 2.699 2.002 1.165) 3.557 3.957 ( -3.235 6.724 -8.863) 11.586 5.300 ( 9.628 7.403 0.417) 12.152 5.605 ( 14.808 3.798 12.852) 19.972 6.643 ( 2.767 4.493 -0.793) 5.336 7.436 ( 0.170 -1.326 0.522) 1.435 7.636 ( 1.929 -0.306 -0.087) 1.955 10.363 ( -11.934 -5.990 0.418) 13.360 10.774 ( -1.174 -4.083 0.412) 4.268 11.788 ( -13.667 -15.113 -2.028) 20.477 13.432 ( 2.378 5.206 -0.571) 5.751 15.073 ( -4.265 3.521 8.074) 9.786 15.564 ( 4.996 -1.833 -10.046) 11.368 ======================= Grid point 262 (48/192) ======================= q-point: ( 0.40 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 3.397 10.728 -3.397) 11.755 3.244 ( 11.072 8.026 -4.775) 14.484 3.739 ( -1.434 -3.770 0.682) 4.091 3.938 ( -6.759 9.226 -1.888) 11.591 5.468 ( 4.396 2.661 0.381) 5.153 5.864 ( 9.609 0.994 9.341) 13.438 6.718 ( 0.821 3.699 -0.998) 3.918 7.401 ( -1.875 -2.220 3.282) 4.383 7.665 ( 1.417 -0.089 -1.723) 2.233 10.142 ( -7.217 -3.126 0.784) 7.904 10.769 ( 2.998 -1.628 -0.986) 3.551 11.445 ( -9.262 -10.680 -2.186) 14.305 13.514 ( 0.543 5.277 -0.521) 5.330 15.017 ( -4.251 0.884 4.200) 6.041 15.646 ( 5.775 -0.973 -5.559) 8.075 ======================= Grid point 263 (49/192) ======================= q-point: ( 0.47 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -2.088 6.967 -3.616) 8.122 3.445 ( 2.587 -1.360 -6.028) 6.699 3.664 ( 0.390 0.004 2.861) 2.888 3.920 ( -6.748 11.145 0.118) 13.029 5.511 ( -0.611 -1.061 -0.189) 1.239 5.928 ( -0.675 -4.496 6.599) 8.014 6.743 ( -1.675 2.447 -1.213) 3.204 7.337 ( -2.559 -1.933 2.861) 4.297 7.674 ( -0.164 -0.772 -3.034) 3.134 10.062 ( -0.323 0.821 1.049) 1.371 10.790 ( 0.493 -3.133 -1.960) 3.728 11.306 ( 2.990 -2.975 -1.704) 4.549 13.549 ( -2.244 4.332 -0.433) 4.898 14.953 ( -3.310 0.145 1.566) 3.665 15.744 ( 6.201 -0.783 -1.338) 6.391 ======================= Grid point 265 (50/192) ======================= q-point: (-0.47 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( -8.583 3.100 -1.358) 9.226 3.282 ( -10.894 -7.218 -2.223) 13.256 3.717 ( -0.668 -0.768 1.045) 1.459 4.001 ( 2.765 14.618 -2.035) 15.016 5.420 ( -6.554 -4.695 -1.358) 8.175 5.749 ( -11.395 -9.011 5.292) 15.461 6.710 ( -3.942 1.081 -1.319) 4.295 7.282 ( -2.013 -0.673 -0.364) 2.154 7.642 ( -1.978 -1.666 -4.091) 4.840 10.146 ( 6.401 4.668 0.940) 7.978 10.739 ( -0.632 -3.375 -2.119) 4.035 11.469 ( 13.818 2.425 -1.216) 14.081 13.523 ( -4.554 2.556 -0.174) 5.226 14.907 ( -2.648 1.068 -0.076) 2.856 15.842 ( 6.184 -1.639 2.426) 6.842 ======================= Grid point 266 (51/192) ======================= q-point: (-0.40 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -15.106 -0.791 2.411) 15.317 2.976 ( -15.115 -7.121 -0.902) 16.733 3.640 ( -6.167 0.159 -2.025) 6.492 4.228 ( 5.893 9.432 -2.484) 11.396 5.181 ( -13.108 -8.354 -3.081) 15.846 5.380 ( -17.794 -9.337 5.468) 20.825 6.631 ( -5.414 -0.006 -1.262) 5.559 7.261 ( -0.304 1.028 -4.235) 4.369 7.574 ( -3.540 -2.085 -5.308) 6.712 10.364 ( 10.764 7.133 0.422) 12.920 10.743 ( 3.990 -0.589 -0.691) 4.092 11.789 ( 18.088 3.512 -1.965) 18.530 13.450 ( -5.313 0.860 0.157) 5.384 14.877 ( -3.140 2.623 -0.682) 4.148 15.920 ( 5.382 -3.443 5.368) 8.345 ======================= Grid point 267 (52/192) ======================= q-point: (-0.33 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -20.004 -3.620 6.089) 21.221 2.608 ( -18.578 -6.924 -0.060) 19.827 3.526 ( -7.132 0.914 -4.258) 8.356 4.223 ( -15.098 -5.602 -2.699) 16.328 4.822 ( -17.065 -7.940 2.714) 19.016 5.077 ( -5.122 -0.356 -1.299) 5.296 6.526 ( -5.935 -0.633 -1.074) 6.065 7.294 ( 1.977 2.241 -5.984) 6.689 7.479 ( -4.852 -1.537 -7.193) 8.812 10.643 ( 11.871 7.370 -0.324) 13.977 10.883 ( 10.750 2.936 2.041) 11.329 12.157 ( 19.567 2.881 -4.010) 20.180 13.368 ( -4.313 0.250 0.300) 4.330 14.838 ( -5.407 3.727 -0.156) 6.569 15.955 ( 3.753 -5.898 7.126) 9.982 ======================= Grid point 268 (53/192) ======================= q-point: (-0.27 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -22.436 -4.876 9.468) 24.835 2.178 ( -22.506 -6.628 0.557) 23.468 3.408 ( -7.472 0.239 -4.986) 8.986 3.649 ( -33.597 -11.694 2.460) 35.659 4.394 ( -21.578 -8.072 1.601) 23.094 5.183 ( 8.747 5.638 -5.193) 11.630 6.417 ( -5.502 -0.751 -0.834) 5.615 7.297 ( -5.709 -1.509 -9.456) 11.148 7.450 ( 3.793 3.970 -4.133) 6.872 10.911 ( 10.585 5.756 -0.661) 12.067 11.184 ( 18.247 5.868 5.267) 19.878 12.525 ( 19.307 1.604 -6.925) 20.574 13.315 ( -2.151 1.063 -0.227) 2.410 14.747 ( -9.821 3.972 1.333) 10.677 15.929 ( 1.737 -8.679 7.682) 11.719 ======================= Grid point 269 (54/192) ======================= q-point: (-0.20 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -22.495 -4.960 13.177) 26.538 1.681 ( -26.796 -5.264 1.276) 27.338 2.860 ( -39.373 -9.081 11.719) 42.071 3.323 ( -6.371 1.788 -5.123) 8.368 3.930 ( -21.913 -6.190 -1.526) 22.822 5.401 ( 9.297 4.072 -8.012) 12.931 6.323 ( -4.342 -0.391 -0.614) 4.403 7.123 ( -11.524 -1.226 -15.298) 19.192 7.636 ( 11.305 5.304 5.981) 13.846 11.125 ( 7.964 3.813 -0.073) 8.830 11.626 ( 24.391 5.028 6.709) 25.791 12.859 ( 16.739 1.158 -9.116) 19.096 13.318 ( 0.295 2.743 -2.455) 3.693 14.561 ( -16.057 4.111 3.215) 16.884 15.844 ( 0.696 -11.586 7.948) 14.068 ======================= Grid point 274 (55/192) ======================= q-point: ( 0.13 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 10.457 22.104 8.976) 26.048 2.108 ( 11.907 20.748 0.460) 23.926 3.393 ( 9.087 17.128 -2.055) 19.498 3.532 ( 9.986 19.317 -1.604) 21.804 4.303 ( 11.884 20.771 1.946) 24.009 5.289 ( 0.127 -8.827 -2.452) 9.163 6.413 ( 3.101 4.930 -0.497) 5.845 7.289 ( 4.296 5.442 -8.919) 11.297 7.541 ( 1.350 -6.493 -0.691) 6.668 10.986 ( -4.512 -9.781 -0.451) 10.781 11.255 ( -9.699 -17.542 6.177) 20.974 12.552 ( -7.835 -18.829 -4.639) 20.915 13.325 ( -0.202 1.161 -1.917) 2.250 14.873 ( 12.049 6.771 3.157) 14.177 15.695 ( -11.750 4.944 2.527) 12.996 ======================= Grid point 275 (56/192) ======================= q-point: ( 0.20 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 10.328 21.189 5.654) 24.241 2.506 ( 11.864 16.180 -0.463) 20.069 3.593 ( 5.237 5.298 -2.844) 7.974 3.923 ( 5.317 20.833 -10.188) 23.793 4.763 ( 17.186 17.881 5.995) 25.515 5.254 ( 4.453 -4.908 4.346) 7.925 6.528 ( 3.585 5.739 -0.505) 6.786 7.376 ( 2.509 0.280 -4.768) 5.395 7.546 ( 3.189 -1.662 -1.619) 3.944 10.772 ( -8.596 -9.204 -0.785) 12.618 10.945 ( -7.985 -11.903 4.065) 14.899 12.202 ( -9.442 -19.833 -2.165) 22.073 13.359 ( 1.198 4.332 -1.096) 4.626 15.107 ( 7.460 5.118 4.755) 10.220 15.543 ( -8.611 1.116 -3.180) 9.247 ======================= Grid point 276 (57/192) ======================= q-point: ( 0.27 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 7.442 18.553 2.553) 20.153 2.857 ( 10.930 13.549 -1.466) 17.470 3.701 ( 2.810 1.413 -1.672) 3.562 4.121 ( -2.488 15.033 -10.876) 18.721 5.209 ( 12.545 12.515 2.249) 17.862 5.365 ( 12.809 -0.988 10.711) 16.726 6.648 ( 3.038 6.043 -0.613) 6.792 7.402 ( 1.621 -1.929 -2.660) 3.664 7.592 ( 2.649 -0.023 0.510) 2.698 10.505 ( -11.201 -7.835 -0.396) 13.675 10.752 ( -2.856 -6.926 1.332) 7.609 11.827 ( -10.604 -18.336 -1.182) 21.214 13.451 ( 2.554 6.627 -0.608) 7.128 15.216 ( -3.217 6.459 9.123) 11.632 15.449 ( 1.620 -4.477 -9.813) 10.907 ======================= Grid point 277 (58/192) ======================= q-point: ( 0.33 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 3.504 14.502 -0.759) 14.939 3.166 ( 9.089 11.983 -1.431) 15.108 3.716 ( 0.033 -3.065 -0.600) 3.123 4.184 ( -6.744 14.846 -5.947) 17.357 5.417 ( 4.997 3.896 0.611) 6.366 5.652 ( 14.828 0.709 9.163) 17.445 6.749 ( 1.411 5.735 -0.777) 5.957 7.390 ( -0.047 -3.144 0.477) 3.180 7.636 ( 1.993 0.610 0.498) 2.143 10.250 ( -9.272 -5.267 0.035) 10.664 10.696 ( 2.000 -3.333 -0.239) 3.895 11.476 ( -9.191 -15.153 -1.231) 17.765 13.566 ( 1.591 7.890 -0.528) 8.066 15.144 ( -8.048 2.950 5.393) 10.127 15.505 ( 7.448 -3.721 -6.601) 10.625 ======================= Grid point 278 (59/192) ======================= q-point: ( 0.40 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -0.906 11.443 -2.675) 11.787 3.391 ( 4.413 5.722 -1.369) 7.354 3.663 ( -0.989 -2.871 1.413) 3.349 4.203 ( -8.678 16.208 -2.917) 18.615 5.496 ( 1.502 0.005 -0.054) 1.503 5.827 ( 6.691 -4.484 6.227) 10.181 6.807 ( -1.131 4.833 -0.963) 5.057 7.345 ( -1.059 -3.240 2.100) 4.003 7.666 ( 0.569 0.347 -0.524) 0.848 10.096 ( -3.699 -1.514 0.349) 4.012 10.724 ( 3.121 -2.549 -0.841) 4.116 11.234 ( -2.170 -9.699 -1.429) 10.041 13.649 ( -1.593 7.644 -0.548) 7.828 15.039 ( -5.780 1.256 2.200) 6.310 15.602 ( 7.380 -3.292 -2.699) 8.519 ======================= Grid point 279 (60/192) ======================= q-point: (-0.53 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -7.175 8.828 -1.670) 11.497 3.368 ( -6.136 -4.749 -2.028) 8.019 3.686 ( 2.774 1.099 2.829) 4.111 4.228 ( -7.354 17.940 -2.503) 19.549 5.462 ( -3.323 -3.805 -1.222) 5.198 5.792 ( -3.191 -8.293 4.832) 10.114 6.804 ( -3.912 3.372 -1.055) 5.271 7.299 ( -0.964 -1.770 0.863) 2.192 7.658 ( -1.374 -0.599 -1.591) 2.186 10.098 ( 3.309 2.463 0.411) 4.145 10.708 ( -0.485 -4.293 -1.508) 4.576 11.250 ( 10.491 -2.677 -0.770) 10.855 13.656 ( -5.341 5.561 -0.317) 7.717 14.977 ( -3.284 2.433 -0.086) 4.088 15.692 ( 7.115 -4.353 0.831) 8.382 ======================= Grid point 280 (61/192) ======================= q-point: (-0.47 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -14.341 4.497 1.790) 15.136 3.155 ( -11.760 -4.774 -1.901) 12.834 3.708 ( -0.925 -0.491 0.218) 1.069 4.320 ( -2.440 15.735 -2.811) 16.170 5.297 ( -9.060 -7.301 -2.210) 11.844 5.563 ( -12.313 -8.180 4.910) 15.577 6.742 ( -5.896 1.824 -1.016) 6.254 7.280 ( -0.431 0.511 -2.238) 2.336 7.610 ( -2.771 -1.215 -2.600) 3.989 10.252 ( 9.163 5.293 0.128) 10.583 10.673 ( 1.722 -2.830 -1.146) 3.505 11.490 ( 17.106 -0.180 -0.583) 17.117 13.582 ( -7.370 2.662 0.038) 7.836 14.968 ( -2.432 5.097 -1.765) 5.917 15.759 ( 6.667 -6.524 3.935) 10.124 ======================= Grid point 281 (62/192) ======================= q-point: (-0.40 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -19.677 0.475 4.654) 20.225 2.863 ( -16.346 -3.626 -0.810) 16.763 3.655 ( -4.985 0.888 -2.857) 5.814 4.382 ( -6.045 3.716 -6.424) 9.572 5.024 ( -12.943 -4.597 2.959) 14.050 5.244 ( -14.519 -3.873 2.729) 15.272 6.641 ( -6.833 0.711 -0.871) 6.925 7.296 ( 0.674 2.280 -4.991) 5.528 7.543 ( -3.657 -0.686 -3.707) 5.252 10.502 ( 11.954 5.752 -0.531) 13.277 10.734 ( 7.335 -0.174 0.723) 7.372 11.819 ( 19.789 0.069 -1.433) 19.841 13.469 ( -6.759 0.624 0.085) 6.789 14.980 ( -3.858 7.347 -2.129) 8.567 15.789 ( 5.717 -9.246 5.758) 12.302 ======================= Grid point 282 (63/192) ======================= q-point: (-0.33 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -23.134 -1.521 6.958) 24.206 2.510 ( -20.071 -2.551 0.008) 20.233 3.558 ( -7.435 1.724 -4.086) 8.657 4.071 ( -24.196 -8.164 -7.333) 26.568 4.716 ( -20.660 -1.730 6.798) 21.818 5.134 ( 2.131 5.053 -0.620) 5.519 6.524 ( -6.788 0.154 -0.659) 6.821 7.338 ( 0.403 1.836 -5.794) 6.091 7.482 ( -2.758 2.046 -4.789) 5.894 10.763 ( 11.788 3.565 -1.150) 12.369 10.935 ( 14.247 1.936 3.788) 14.869 12.178 ( 20.577 0.378 -3.062) 20.807 13.373 ( -4.169 -0.095 -0.513) 4.201 14.964 ( -7.272 7.991 -0.543) 10.818 15.770 ( 4.046 -11.613 5.385) 13.425 ======================= Grid point 290 (64/192) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 8.941 18.410 4.654) 20.988 2.831 ( 9.108 15.691 -0.347) 18.146 3.672 ( 2.499 2.318 -2.988) 4.533 4.321 ( -0.055 17.011 -11.916) 20.769 5.071 ( 14.214 8.828 10.807) 19.919 5.221 ( 5.466 5.690 0.937) 7.945 6.651 ( 3.795 6.234 -0.581) 7.321 7.348 ( 1.843 -2.275 -4.578) 5.434 7.551 ( 2.640 1.693 -1.154) 3.342 10.567 ( -6.186 -10.938 -1.111) 12.615 10.737 ( -4.065 -7.916 1.710) 9.061 11.818 ( -9.995 -17.876 -0.872) 20.499 13.470 ( 3.128 6.533 -0.307) 7.249 15.154 ( 9.881 -0.384 -2.005) 10.089 15.567 ( -12.603 1.192 3.472) 13.127 ======================= Grid point 291 (65/192) ======================= q-point: ( 0.27 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 5.115 13.598 0.811) 14.551 3.156 ( 9.108 15.367 1.581) 17.933 3.688 ( -0.406 -2.258 -1.697) 2.854 4.452 ( -3.993 16.738 -8.902) 19.374 5.331 ( 10.653 -1.102 5.752) 12.157 5.434 ( 9.066 8.126 3.661) 12.713 6.775 ( 2.802 6.294 -0.583) 6.914 7.346 ( 0.896 -3.366 -2.068) 4.051 7.611 ( 2.232 1.840 1.033) 3.072 10.337 ( -7.842 -8.514 -0.675) 11.595 10.643 ( -0.164 -3.517 0.081) 3.521 11.472 ( -9.108 -16.359 -0.172) 18.724 13.608 ( 3.385 8.538 -0.269) 9.188 15.304 ( 7.437 -0.680 -0.764) 7.507 15.362 ( -10.036 -1.061 0.460) 10.103 ======================= Grid point 292 (66/192) ======================= q-point: ( 0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 2.546 10.417 -2.017) 10.912 3.424 ( 3.555 12.458 3.873) 13.522 3.634 ( -0.556 -4.550 -0.425) 4.603 4.528 ( -7.401 18.282 -5.620) 20.509 5.456 ( 4.062 0.091 1.317) 4.272 5.627 ( 9.399 -3.251 4.109) 10.761 6.870 ( 0.567 6.012 -0.627) 6.072 7.312 ( -0.002 -4.471 0.391) 4.488 7.663 ( 1.195 1.849 1.448) 2.635 10.148 ( -5.260 -4.642 -0.457) 7.030 10.649 ( 2.868 -0.971 -0.277) 3.041 11.184 ( -5.559 -13.269 -0.428) 14.393 13.741 ( 1.082 8.842 -0.468) 8.920 15.184 ( -8.999 0.984 2.116) 9.297 15.424 ( 8.144 -3.970 -2.670) 9.445 ======================= Grid point 293 (67/192) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -1.027 9.267 -3.179) 9.851 3.441 ( -6.706 -0.730 2.191) 7.093 3.655 ( 2.676 1.785 3.470) 4.732 4.571 ( -9.104 19.086 -3.808) 21.486 5.467 ( -1.364 -2.893 -0.998) 3.350 5.693 ( 4.634 -8.110 3.417) 9.946 6.908 ( -2.827 4.871 -0.660) 5.670 7.272 ( 0.747 -3.740 0.908) 3.920 7.681 ( -0.895 1.021 1.041) 1.711 10.076 ( 0.381 -0.600 -0.360) 0.797 10.678 ( 0.275 -1.687 -0.466) 1.772 11.059 ( 4.958 -7.360 -0.433) 8.885 13.803 ( -3.582 6.836 -0.475) 7.733 15.076 ( -5.041 2.733 0.275) 5.741 15.513 ( 7.275 -5.444 -0.343) 9.093 ======================= Grid point 295 (68/192) ======================= q-point: (-0.53 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -11.904 1.863 3.045) 12.427 3.296 ( -6.749 2.693 -3.804) 8.202 3.687 ( 1.129 -1.209 3.259) 3.655 4.597 ( -8.822 16.576 -3.435) 19.089 5.354 ( -5.587 -6.355 -1.558) 8.604 5.628 ( -3.360 -6.633 3.353) 8.157 6.869 ( -5.680 2.635 -0.620) 6.292 7.270 ( 1.600 -0.894 -0.640) 1.941 7.653 ( -2.728 0.116 0.250) 2.742 10.149 ( 6.713 2.181 -0.415) 7.071 10.636 ( -0.887 -2.496 -0.879) 2.791 11.197 ( 14.414 -2.275 0.162) 14.594 13.751 ( -7.852 3.326 -0.122) 8.528 15.063 ( -1.886 6.110 -2.077) 6.723 15.568 ( 6.488 -7.732 2.542) 10.408 ======================= Grid point 296 (69/192) ======================= q-point: (-0.47 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -15.252 -1.389 2.783) 15.566 3.127 ( -15.449 2.025 -0.357) 15.585 3.692 ( 0.543 -0.898 -0.843) 1.346 4.560 ( -9.289 4.384 -6.991) 12.425 5.184 ( -8.113 -0.206 2.981) 8.645 5.446 ( -11.268 -3.300 3.172) 12.163 6.773 ( -6.941 0.953 -0.644) 7.036 7.302 ( 1.402 1.689 -2.985) 3.706 7.599 ( -3.245 0.096 -0.480) 3.282 10.338 ( 11.258 2.465 -0.653) 11.543 10.634 ( 3.095 -0.805 -0.261) 3.209 11.477 ( 18.386 -0.734 0.036) 18.401 13.616 ( -8.979 0.594 0.048) 8.999 15.113 ( -1.765 8.922 -3.696) 9.817 15.583 ( 5.829 -10.441 4.719) 12.855 ======================= Grid point 307 (70/192) ======================= q-point: ( 0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 2.916 10.045 -0.442) 10.469 3.422 ( 10.177 8.589 2.114) 13.484 3.640 ( -3.609 -0.977 1.734) 4.122 4.764 ( 2.851 12.752 -6.553) 14.618 5.315 ( 7.017 0.296 2.904) 7.600 5.547 ( 0.255 2.759 1.523) 3.162 6.898 ( 3.238 5.591 -0.367) 6.471 7.272 ( -0.764 -3.743 -0.777) 3.899 7.659 ( 1.805 2.528 1.529) 3.462 10.173 ( -4.107 -7.070 -0.832) 8.219 10.614 ( 0.831 0.686 -0.405) 1.151 11.168 ( -8.111 -13.333 0.400) 15.612 13.782 ( 4.217 7.970 -0.194) 9.019 15.216 ( 6.786 -4.563 -4.049) 9.125 15.391 ( -9.531 1.009 3.902) 10.348 ======================= Grid point 308 (71/192) ======================= q-point: ( 0.33 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 1.873 7.297 -1.970) 7.786 3.535 ( -2.838 -4.198 0.233) 5.073 3.641 ( 2.380 7.240 6.863) 10.255 4.897 ( -5.071 17.023 -4.986) 18.449 5.433 ( 5.983 -2.008 1.249) 6.433 5.519 ( 0.597 -7.079 0.129) 7.105 6.991 ( 0.158 5.839 -0.160) 5.844 7.213 ( -0.017 -5.102 0.497) 5.126 7.702 ( 0.349 1.691 2.302) 2.878 10.069 ( -1.528 -2.877 -0.965) 3.398 10.665 ( 1.924 2.714 -0.028) 3.327 10.942 ( -2.508 -10.452 0.136) 10.749 13.901 ( 0.423 6.151 -0.497) 6.185 15.199 ( -5.242 1.191 -0.122) 5.377 15.344 ( 4.850 -4.080 -0.093) 6.338 ======================= Grid point 309 (72/192) ======================= q-point: (-0.60 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( -5.248 -1.165 -1.461) 5.571 3.461 ( -1.971 5.270 -0.092) 5.627 3.679 ( -2.026 -0.415 6.805) 7.112 4.922 ( -10.075 12.530 -4.118) 16.597 5.376 ( -3.668 -4.758 -0.857) 6.068 5.547 ( 5.559 -4.777 1.189) 7.426 6.992 ( -5.133 2.780 -0.095) 5.838 7.206 ( 3.684 -2.104 0.285) 4.252 7.700 ( -1.819 0.645 2.134) 2.877 10.069 ( 3.267 -0.123 -0.961) 3.408 10.661 ( -3.601 -0.058 -0.231) 3.609 10.946 ( 10.602 -3.312 0.345) 11.113 13.903 ( -5.297 2.570 -0.419) 5.903 15.159 ( -2.437 5.318 -1.260) 5.984 15.386 ( 5.443 -6.598 1.154) 8.631 ======================= Grid point 323 (73/192) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( -1.722 -3.444 -0.896) 3.953 3.452 ( 1.722 3.444 -0.896) 3.953 3.716 ( -0.000 -0.000 8.297) 8.297 5.127 ( -0.000 -0.000 -4.526) 4.526 5.402 ( -1.060 -2.120 -0.161) 2.375 5.402 ( 1.060 2.120 -0.161) 2.375 7.106 ( -2.424 -4.848 0.361) 5.432 7.106 ( 2.424 4.848 0.361) 5.432 7.721 ( -0.000 -0.000 2.701) 2.701 10.039 ( -0.000 -0.000 -1.199) 1.199 10.764 ( -3.115 -6.230 0.223) 6.968 10.764 ( 3.115 6.230 0.223) 6.968 13.967 ( -0.000 -0.000 -0.571) 0.571 15.255 ( -2.060 -4.119 -0.062) 4.606 15.255 ( 2.060 4.119 -0.062) 4.606 ======================= Grid point 482 (74/192) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.000 0.000 28.388) 28.388 1.191 ( 0.000 -0.000 28.388) 28.388 1.920 ( -0.000 0.000 47.197) 47.197 3.032 ( 0.000 0.000 -9.943) 9.943 3.032 ( 0.000 -0.000 -9.943) 9.943 5.358 ( 0.000 0.000 -23.238) 23.238 6.200 ( 0.000 0.000 -0.526) 0.526 6.200 ( 0.000 -0.000 -0.526) 0.526 9.853 ( 0.000 -0.000 3.121) 3.121 11.419 ( 0.000 0.000 3.364) 3.364 11.419 ( 0.000 -0.000 3.364) 3.364 13.240 ( 0.000 0.000 -2.517) 2.517 13.240 ( 0.000 -0.000 -2.517) 2.517 13.770 ( -0.000 0.000 -0.862) 0.862 16.375 ( -0.000 0.000 0.698) 0.698 ======================= Grid point 483 (75/192) ======================= q-point: ( 0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 5.903 3.408 26.055) 26.932 1.263 ( 6.547 3.780 28.240) 29.235 2.196 ( 19.769 11.413 34.622) 41.470 3.081 ( 3.184 1.838 -9.217) 9.923 3.154 ( 11.214 6.474 -7.887) 15.161 5.340 ( -1.137 -0.657 -21.063) 21.104 6.218 ( 1.407 0.812 -0.582) 1.726 6.361 ( 12.391 7.154 -5.755) 15.422 8.985 ( -45.283 -26.144 14.246) 54.194 11.409 ( -2.228 -1.286 3.014) 3.962 11.960 ( 17.421 10.058 -4.495) 20.612 13.208 ( -1.365 -0.788 -2.260) 2.756 13.210 ( -1.964 -1.134 -6.452) 6.839 13.970 ( 17.612 10.169 -1.093) 20.366 16.134 ( -17.623 -10.175 7.695) 21.756 ======================= Grid point 484 (76/192) ======================= q-point: ( 0.13 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 11.560 6.674 20.245) 24.250 1.545 ( 16.489 9.520 18.922) 26.843 2.692 ( 20.563 11.872 13.400) 27.265 3.181 ( 5.353 3.091 -7.871) 10.008 3.548 ( 21.798 12.585 -0.038) 25.171 5.322 ( -0.047 -0.027 -15.404) 15.405 6.266 ( 2.696 1.557 -0.745) 3.201 6.701 ( 15.240 8.799 -10.902) 20.701 8.152 ( -25.498 -14.722 8.230) 30.572 11.307 ( -6.485 -3.744 1.972) 7.744 11.957 ( -12.226 -7.059 5.175) 15.036 13.101 ( -8.560 -4.942 -12.395) 15.853 13.186 ( -0.316 -0.182 -1.440) 1.485 14.506 ( 23.818 13.751 -1.836) 27.564 15.716 ( -15.605 -9.009 11.666) 21.465 ======================= Grid point 485 (77/192) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 13.800 7.967 13.669) 20.994 1.972 ( 18.585 10.730 9.894) 23.632 3.128 ( 16.529 9.543 -3.899) 19.480 3.329 ( 7.077 4.086 -5.847) 10.048 4.129 ( 26.263 15.163 6.410) 30.996 5.351 ( 2.793 1.612 -7.270) 7.953 6.344 ( 3.844 2.219 -0.991) 4.548 7.034 ( 12.446 7.186 -10.733) 17.937 7.735 ( -11.027 -6.367 -0.299) 12.737 11.104 ( -10.654 -6.151 0.883) 12.334 11.575 ( -18.150 -10.479 8.163) 22.491 12.814 ( -15.165 -8.756 -10.984) 20.671 13.201 ( 1.656 0.956 -0.553) 1.990 14.976 ( 15.698 9.063 -0.719) 18.141 15.435 ( -8.621 -4.977 9.076) 13.471 ======================= Grid point 486 (78/192) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 13.324 7.693 7.419) 17.081 2.378 ( 15.603 9.008 3.575) 18.368 3.469 ( 12.327 7.117 -10.258) 17.545 3.506 ( 7.756 4.478 -3.266) 9.533 4.720 ( 22.829 13.180 5.805) 26.992 5.468 ( 7.501 4.331 1.237) 8.749 6.443 ( 4.501 2.599 -1.266) 5.349 7.263 ( 6.740 3.892 -8.189) 11.298 7.597 ( -1.344 -0.776 -3.998) 4.289 10.821 ( -13.099 -7.563 0.403) 15.131 11.169 ( -15.425 -8.906 5.472) 18.633 12.420 ( -17.880 -10.323 -7.367) 21.921 13.261 ( 3.354 1.936 -0.097) 3.874 15.252 ( 6.379 3.683 -9.173) 11.764 15.289 ( -2.437 -1.407 14.784) 15.050 ======================= Grid point 487 (79/192) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 11.097 6.407 1.894) 12.953 2.703 ( 12.286 7.093 -1.666) 14.284 3.681 ( 6.863 3.962 -0.547) 7.944 3.695 ( 6.704 3.871 -8.093) 11.199 5.155 ( 13.911 8.031 1.660) 16.148 5.710 ( 12.609 7.280 7.645) 16.445 6.548 ( 4.269 2.465 -1.510) 5.156 7.365 ( 2.753 1.589 -6.488) 7.225 7.623 ( 2.126 1.227 -2.299) 3.363 10.512 ( -12.658 -7.308 0.646) 14.630 10.881 ( -8.754 -5.054 1.286) 10.189 11.994 ( -18.011 -10.399 -4.408) 21.259 13.349 ( 3.890 2.246 -0.118) 4.494 15.182 ( -3.761 -2.172 1.145) 4.492 15.423 ( 5.580 3.221 1.898) 6.717 ======================= Grid point 488 (80/192) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 7.845 4.529 -2.413) 9.374 2.968 ( 10.477 6.049 -6.133) 13.563 3.780 ( 0.706 0.408 -2.666) 2.788 3.815 ( 4.248 2.452 1.772) 5.215 5.397 ( 7.241 4.181 -0.227) 8.364 5.995 ( 10.087 5.824 9.272) 14.887 6.635 ( 2.972 1.716 -1.689) 3.825 7.414 ( 1.431 0.826 -4.482) 4.777 7.654 ( 0.171 0.099 0.265) 0.331 10.250 ( -9.121 -5.266 1.259) 10.607 10.763 ( -1.577 -0.911 -1.768) 2.538 11.595 ( -15.302 -8.835 -3.059) 17.932 13.433 ( 3.085 1.781 -0.357) 3.580 15.097 ( -3.517 -2.031 1.629) 4.376 15.544 ( 5.053 2.918 -0.427) 5.851 ======================= Grid point 489 (81/192) ======================= q-point: ( 0.47 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 3.997 2.307 -4.963) 6.777 3.192 ( 7.930 4.578 -10.541) 13.963 3.752 ( -2.101 -1.213 2.740) 3.660 3.869 ( 0.243 0.140 3.265) 3.277 5.505 ( 1.906 1.101 -0.538) 2.266 6.137 ( 1.482 0.855 9.237) 9.394 6.681 ( 0.866 0.500 -1.781) 2.043 7.422 ( -0.978 -0.564 -0.585) 1.271 7.632 ( -1.913 -1.105 -0.656) 2.305 10.102 ( -3.198 -1.846 1.739) 4.082 10.769 ( 0.678 0.392 -2.854) 2.959 11.322 ( -6.352 -3.668 -3.016) 7.931 13.486 ( 1.274 0.735 -0.548) 1.569 15.017 ( -3.226 -1.863 2.244) 4.349 15.671 ( 5.784 3.339 -1.903) 6.944 ======================= Grid point 490 (82/192) ======================= q-point: (-0.47 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.251 -0.145 -5.281) 5.289 3.269 ( -2.883 -1.664 -10.391) 10.912 3.765 ( 4.840 2.795 2.031) 5.947 3.822 ( -4.185 -2.416 3.582) 6.016 5.480 ( -4.160 -2.402 -0.512) 4.831 6.055 ( -8.373 -4.834 9.737) 13.721 6.675 ( -1.414 -0.816 -1.765) 2.405 7.363 ( -3.918 -2.262 3.339) 5.623 7.572 ( -3.053 -1.763 -4.708) 5.881 10.106 ( 3.480 2.009 1.730) 4.375 10.741 ( -2.475 -1.429 -2.722) 3.947 11.350 ( 7.932 4.580 -3.075) 9.662 13.491 ( -0.857 -0.495 -0.546) 1.130 14.948 ( -2.574 -1.486 2.668) 3.994 15.814 ( 6.259 3.613 -2.181) 7.549 ======================= Grid point 491 (83/192) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -4.956 -2.861 -2.867) 6.400 3.087 ( -11.194 -6.463 -3.838) 13.484 3.683 ( -7.365 -4.252 2.218) 8.789 3.941 ( 8.111 4.683 -7.461) 11.974 5.311 ( -9.915 -5.725 0.316) 11.454 5.758 ( -16.476 -9.513 11.223) 22.089 6.619 ( -3.232 -1.866 -1.654) 4.082 7.259 ( -4.291 -2.477 2.610) 5.600 7.488 ( -4.159 -2.401 -7.197) 8.652 10.255 ( 8.881 5.127 1.241) 10.329 10.719 ( 1.606 0.927 -1.426) 2.339 11.619 ( 13.703 7.912 -3.076) 16.119 13.450 ( -2.476 -1.430 -0.353) 2.881 14.897 ( -1.826 -1.055 2.956) 3.632 15.954 ( 5.447 3.145 -1.553) 6.478 ======================= Grid point 492 (84/192) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -9.972 -5.757 2.400) 11.762 2.780 ( -14.585 -8.421 0.635) 16.853 3.497 ( -7.951 -4.591 -1.084) 9.245 4.049 ( -1.324 -0.765 -17.031) 17.099 5.063 ( -9.378 -5.414 4.747) 11.823 5.312 ( -20.515 -11.844 11.247) 26.223 6.529 ( -4.249 -2.453 -1.476) 5.123 7.192 ( -0.903 -0.521 -1.026) 1.462 7.373 ( -5.623 -3.247 -8.046) 10.339 10.502 ( 11.626 6.712 0.633) 13.440 10.840 ( 8.918 5.149 1.747) 10.445 11.957 ( 14.547 8.399 -4.078) 17.285 13.383 ( -2.958 -1.708 -0.114) 3.417 14.856 ( -1.868 -1.079 3.431) 4.053 16.058 ( 3.213 1.855 -0.670) 3.770 ======================= Grid point 493 (85/192) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -13.796 -7.965 9.058) 18.326 2.404 ( -17.455 -10.078 4.511) 20.654 3.324 ( -6.652 -3.841 -4.999) 9.165 3.805 ( -18.459 -10.657 -15.723) 26.486 4.729 ( -22.988 -13.272 11.628) 28.980 5.038 ( 1.075 0.621 -0.029) 1.241 6.426 ( -4.371 -2.524 -1.241) 5.198 7.164 ( -6.022 -3.477 -8.571) 11.037 7.295 ( 3.914 2.260 -3.360) 5.632 10.780 ( 11.579 6.685 0.391) 13.376 11.143 ( 16.877 9.744 6.516) 20.548 12.285 ( 13.203 7.623 -6.751) 16.674 13.320 ( -2.260 -1.305 -0.088) 2.611 14.794 ( -3.896 -2.250 4.191) 6.149 16.100 ( 0.276 0.159 0.085) 0.329 ======================= Grid point 494 (86/192) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -14.810 -8.551 15.395) 23.011 1.962 ( -19.912 -11.496 9.065) 24.715 3.187 ( -4.989 -2.880 -7.853) 9.740 3.284 ( -24.259 -14.006 -1.725) 28.064 4.155 ( -24.777 -14.305 6.152) 29.264 5.135 ( 5.275 3.046 -8.471) 10.434 6.330 ( -3.699 -2.136 -0.977) 4.382 6.948 ( -11.117 -6.419 -10.719) 16.724 7.535 ( 15.761 9.100 0.780) 18.217 11.031 ( 9.609 5.548 0.831) 11.127 11.616 ( 22.473 12.975 11.180) 28.256 12.569 ( 10.834 6.255 -11.095) 16.721 13.281 ( -1.057 -0.610 -0.503) 1.320 14.650 ( -8.902 -5.139 4.476) 11.211 16.079 ( -1.576 -0.910 1.153) 2.154 ======================= Grid point 495 (87/192) ======================= q-point: (-0.13 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -17.798 -10.276 16.958) 26.644 1.583 ( -13.012 -7.512 21.144) 25.939 2.710 ( -24.030 -13.874 16.811) 32.443 3.090 ( -3.249 -1.876 -9.438) 10.156 3.604 ( -21.294 -12.294 -1.080) 24.612 5.250 ( 4.289 2.476 -16.003) 16.751 6.256 ( -2.524 -1.457 -0.739) 3.007 6.659 ( -13.247 -7.648 -10.094) 18.327 8.057 ( 29.626 17.105 9.072) 35.392 11.225 ( 6.894 3.980 1.832) 8.169 12.102 ( 14.781 8.534 9.462) 19.515 12.804 ( 10.057 5.806 -13.258) 17.625 13.267 ( -0.314 -0.181 -1.302) 1.352 14.355 ( -16.148 -9.323 2.484) 18.810 16.065 ( 1.596 0.921 3.982) 4.387 ======================= Grid point 496 (88/192) ======================= q-point: (-0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -6.095 -3.519 27.258) 28.152 1.322 ( -8.761 -5.058 26.037) 27.933 2.186 ( -19.305 -11.146 35.638) 42.036 3.036 ( -1.261 -0.728 -10.059) 10.163 3.195 ( -12.689 -7.326 -7.400) 16.415 5.330 ( 2.372 1.370 -21.130) 21.307 6.213 ( -1.188 -0.686 -0.580) 1.489 6.355 ( -11.424 -6.596 -5.394) 14.252 8.967 ( 47.356 27.341 14.616) 56.602 11.355 ( 4.127 2.383 2.868) 5.562 12.045 ( -22.893 -13.217 -4.652) 26.841 13.079 ( 11.734 6.775 -4.534) 14.288 13.259 ( -0.490 -0.283 -2.115) 2.190 13.955 ( -14.923 -8.616 -0.422) 17.237 16.203 ( 9.805 5.661 5.281) 12.493 ======================= Grid point 498 (89/192) ======================= q-point: ( 0.07 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 7.721 14.526 20.279) 26.112 1.476 ( 5.102 13.929 22.757) 27.165 2.557 ( 12.639 21.940 20.513) 32.587 3.113 ( 5.425 2.692 -8.922) 10.783 3.446 ( 8.882 20.236 -2.728) 22.267 5.300 ( 0.496 -3.224 -17.432) 17.735 6.248 ( 1.714 2.212 -0.666) 2.877 6.589 ( 9.343 13.565 -9.736) 19.134 8.293 ( -16.241 -34.025 11.160) 39.319 11.306 ( -0.324 -7.174 2.096) 7.481 12.101 ( -9.488 -3.381 4.142) 10.891 12.963 ( 2.542 -15.660 -8.943) 18.212 13.262 ( -1.091 0.948 -3.894) 4.153 14.304 ( 16.120 18.998 0.117) 24.915 15.955 ( -15.445 -4.548 7.904) 17.936 ======================= Grid point 499 (90/192) ======================= q-point: ( 0.13 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 8.078 16.855 15.506) 24.285 1.814 ( 14.175 15.989 13.240) 25.137 2.988 ( 13.108 16.297 1.265) 20.953 3.263 ( 6.644 5.502 -6.850) 11.015 3.913 ( 18.582 22.001 4.933) 29.218 5.296 ( 2.757 -2.542 -10.621) 11.263 6.315 ( 2.761 3.299 -0.819) 4.379 6.905 ( 11.487 10.346 -11.234) 19.110 7.806 ( -9.586 -17.046 2.529) 19.719 11.176 ( -5.475 -8.487 0.880) 10.137 11.759 ( -16.091 -13.633 9.250) 23.030 12.799 ( -2.148 -18.546 -9.680) 21.030 13.240 ( -2.218 2.228 -3.058) 4.386 14.776 ( 17.502 11.045 0.824) 20.712 15.656 ( -16.133 2.500 7.401) 17.924 ======================= Grid point 500 (91/192) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 8.546 17.626 10.532) 22.241 2.227 ( 14.309 13.748 6.132) 20.769 3.337 ( 11.219 9.714 -9.220) 17.471 3.456 ( 6.648 9.332 -5.248) 12.602 4.490 ( 21.208 19.462 7.364) 29.712 5.358 ( 6.719 -0.866 -2.453) 7.205 6.410 ( 3.462 4.241 -1.040) 5.573 7.172 ( 8.690 5.865 -9.367) 14.059 7.588 ( -1.745 -7.064 -3.097) 7.908 10.947 ( -10.046 -8.970 -0.086) 13.468 11.331 ( -15.494 -13.468 7.719) 21.933 12.510 ( -8.962 -18.211 -7.641) 21.687 13.255 ( 0.687 3.470 -1.090) 3.701 15.115 ( 12.345 4.306 0.495) 13.084 15.444 ( -12.227 4.390 5.816) 14.233 ======================= Grid point 501 (92/192) ======================= q-point: ( 0.27 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 6.711 17.360 5.638) 19.447 2.580 ( 11.748 10.612 0.596) 15.842 3.575 ( 8.275 3.972 -6.710) 11.370 3.676 ( 5.407 11.222 -6.237) 13.931 4.997 ( 15.886 13.429 3.896) 21.163 5.531 ( 12.637 1.888 5.068) 13.745 6.518 ( 3.481 4.723 -1.282) 6.006 7.316 ( 4.178 1.180 -7.002) 8.239 7.577 ( 3.527 -0.674 -3.586) 5.075 10.658 ( -12.214 -8.188 -0.216) 14.706 10.975 ( -10.561 -9.885 3.652) 14.920 12.135 ( -13.064 -16.315 -4.778) 21.440 13.328 ( 2.624 4.471 -0.265) 5.191 15.282 ( -4.227 1.565 -8.264) 9.413 15.335 ( 3.581 2.606 12.095) 12.881 ======================= Grid point 502 (93/192) ======================= q-point: ( 0.33 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 3.481 15.301 1.286) 15.744 2.868 ( 9.771 9.373 -4.012) 14.121 3.715 ( 4.920 0.338 -2.922) 5.732 3.846 ( 1.562 9.834 -2.943) 10.383 5.309 ( 8.660 6.697 0.286) 10.951 5.816 ( 14.871 2.850 8.711) 17.468 6.620 ( 2.524 4.554 -1.492) 5.416 7.379 ( 2.835 -0.184 -5.314) 6.026 7.637 ( 2.282 0.401 -0.746) 2.434 10.372 ( -11.094 -6.367 0.465) 12.800 10.775 ( -3.424 -5.091 -0.224) 6.139 11.738 ( -13.755 -13.955 -2.938) 19.813 13.424 ( 2.369 5.204 -0.203) 5.721 15.176 ( -6.540 0.781 0.118) 6.587 15.459 ( 6.453 0.528 1.623) 6.675 ======================= Grid point 503 (94/192) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 0.321 11.882 -2.189) 12.086 3.118 ( 7.724 8.890 -7.733) 14.089 3.750 ( 0.548 -2.223 0.882) 2.453 3.933 ( -2.108 8.309 0.704) 8.602 5.466 ( 4.217 2.356 -0.565) 4.863 6.045 ( 8.790 -0.970 8.714) 12.416 6.692 ( 0.596 3.764 -1.631) 4.145 7.410 ( 1.242 -1.291 -2.532) 3.102 7.653 ( -0.747 0.158 0.591) 0.966 10.162 ( -6.508 -3.466 1.167) 7.465 10.737 ( 1.888 -1.599 -2.186) 3.302 11.398 ( -9.707 -10.054 -2.531) 14.202 13.505 ( 0.450 5.244 -0.416) 5.280 15.075 ( -5.039 -0.485 1.436) 5.262 15.579 ( 6.742 0.522 -0.942) 6.827 ======================= Grid point 504 (95/192) ======================= q-point: ( 0.47 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -2.966 8.742 -3.953) 10.042 3.281 ( 1.561 3.405 -10.251) 10.914 3.733 ( 0.739 -0.078 3.998) 4.066 3.941 ( -5.648 7.164 1.816) 9.302 5.502 ( -0.772 -1.502 -0.662) 1.813 6.082 ( -0.709 -5.957 8.686) 10.556 6.713 ( -1.836 2.569 -1.675) 3.574 7.388 ( -1.485 -2.588 1.287) 3.249 7.617 ( -3.136 -0.154 -1.680) 3.561 10.087 ( 0.048 0.273 1.443) 1.469 10.745 ( -0.250 -2.655 -2.487) 3.646 11.261 ( 3.061 -2.238 -2.750) 4.684 13.539 ( -2.177 4.359 -0.550) 4.904 14.991 ( -3.692 -0.736 2.176) 4.349 15.711 ( 7.568 0.489 -1.968) 7.835 ======================= Grid point 506 (96/192) ======================= q-point: (-0.47 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -7.028 5.867 -3.292) 9.729 3.205 ( -8.339 -4.274 -5.837) 11.040 3.755 ( -2.088 -1.454 2.527) 3.586 3.943 ( -1.230 11.198 -3.013) 11.661 5.404 ( -6.635 -5.021 -0.330) 8.327 5.902 ( -10.361 -9.597 9.695) 17.130 6.681 ( -4.015 1.312 -1.602) 4.518 7.310 ( -3.899 -2.593 2.935) 5.526 7.546 ( -4.344 -0.776 -5.163) 6.792 10.167 ( 6.366 3.875 1.154) 7.542 10.698 ( -0.124 -2.441 -2.016) 3.168 11.431 ( 13.437 3.133 -2.546) 14.030 13.517 ( -4.345 2.703 -0.453) 5.137 14.933 ( -2.592 0.160 2.452) 3.571 15.848 ( 7.742 -0.422 -1.711) 7.940 ======================= Grid point 507 (97/192) ======================= q-point: (-0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -11.799 2.579 0.334) 12.082 2.954 ( -13.223 -6.207 -1.369) 14.671 3.624 ( -8.848 -1.575 0.478) 9.000 4.066 ( 0.937 6.465 -12.317) 13.942 5.187 ( -10.269 -5.720 2.228) 11.964 5.544 ( -17.870 -10.725 11.010) 23.571 6.604 ( -5.416 0.308 -1.451) 5.616 7.224 ( -3.157 -0.845 0.535) 3.312 7.449 ( -5.495 -1.227 -7.003) 8.986 10.373 ( 10.507 6.120 0.449) 12.167 10.737 ( 6.096 0.967 0.088) 6.172 11.741 ( 16.572 3.959 -2.812) 17.269 13.449 ( -5.094 0.926 -0.249) 5.183 14.900 ( -2.362 1.707 2.686) 3.963 15.963 ( 6.672 -2.493 -0.836) 7.171 ======================= Grid point 508 (98/192) ======================= q-point: (-0.33 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -16.152 -0.906 6.184) 17.319 2.626 ( -16.694 -6.438 2.180) 18.024 3.449 ( -9.346 -0.438 -3.379) 9.948 3.989 ( -12.024 -5.584 -18.159) 22.484 4.984 ( -12.791 -3.262 10.032) 16.580 5.111 ( -13.917 -5.653 5.353) 15.946 6.503 ( -5.883 -0.271 -1.250) 6.020 7.199 ( -0.320 0.701 -3.810) 3.887 7.333 ( -5.739 0.012 -6.899) 8.974 10.638 ( 11.920 6.269 -0.187) 13.469 10.944 ( 14.007 5.080 4.106) 15.455 12.073 ( 16.595 3.170 -4.409) 17.461 13.368 ( -4.216 -0.238 -0.265) 4.231 14.873 ( -3.937 3.048 3.286) 5.966 16.024 ( 4.593 -5.505 0.050) 7.169 ======================= Grid point 509 (99/192) ======================= q-point: (-0.27 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -18.249 -3.346 12.171) 22.189 2.233 ( -20.401 -6.306 5.920) 22.159 3.292 ( -8.431 0.068 -6.826) 10.848 3.581 ( -22.099 -10.069 -10.489) 26.453 4.498 ( -26.831 -8.754 9.658) 29.830 5.101 ( 2.878 4.994 -3.449) 6.717 6.398 ( -5.434 -0.407 -1.016) 5.543 7.099 ( -9.892 -2.034 -9.950) 14.177 7.389 ( 8.644 6.018 -2.112) 10.742 10.904 ( 11.256 5.265 -0.026) 12.426 11.326 ( 21.422 7.557 8.922) 24.405 12.381 ( 15.051 2.438 -7.624) 17.047 13.305 ( -2.345 -0.561 -0.848) 2.556 14.804 ( -8.307 3.620 4.030) 9.918 16.012 ( 2.595 -8.917 0.953) 9.336 ======================= Grid point 510 (100/192) ======================= q-point: (-0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -19.754 -5.894 14.301) 25.090 1.805 ( -20.023 -3.202 14.507) 24.932 3.033 ( -22.343 -7.764 2.129) 23.750 3.202 ( -9.440 2.340 -6.795) 11.864 3.935 ( -27.085 -6.709 4.223) 28.221 5.212 ( 3.580 4.262 -11.193) 12.500 6.309 ( -4.271 -0.152 -0.809) 4.350 6.865 ( -14.247 -1.230 -11.006) 18.045 7.719 ( 20.960 7.749 3.042) 22.553 11.132 ( 9.031 4.132 0.869) 9.970 11.805 ( 23.621 4.001 11.562) 26.601 12.660 ( 13.143 4.604 -11.180) 17.858 13.274 ( -0.609 -0.481 -2.161) 2.296 14.631 ( -16.152 3.575 3.397) 16.888 15.952 ( 3.458 -11.547 3.202) 12.472 ======================= Grid point 515 (101/192) ======================= q-point: ( 0.13 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 7.492 19.964 12.512) 24.723 2.167 ( 10.530 18.117 7.071) 22.115 3.292 ( 6.175 10.777 -8.581) 15.097 3.456 ( 7.005 15.898 -6.992) 18.727 4.400 ( 14.091 24.956 8.542) 29.905 5.224 ( 5.234 -4.299 -4.407) 8.081 6.399 ( 3.140 4.850 -0.860) 5.841 7.099 ( 7.164 8.274 -10.058) 14.865 7.511 ( -0.287 -11.191 -2.132) 11.396 10.976 ( -4.815 -10.990 -0.499) 12.009 11.410 ( -11.249 -19.280 9.529) 24.270 12.435 ( -5.225 -16.736 -7.248) 18.972 13.286 ( -0.070 2.696 -1.916) 3.308 14.934 ( 12.494 4.703 2.758) 13.632 15.752 ( -14.897 5.374 3.029) 16.124 ======================= Grid point 516 (102/192) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 7.166 20.942 9.624) 24.136 2.514 ( 9.878 14.360 2.063) 17.551 3.490 ( 6.548 5.813 -8.229) 12.016 3.728 ( 4.723 16.445 -9.615) 19.627 4.891 ( 14.437 19.296 7.163) 25.141 5.321 ( 10.247 -2.558 2.300) 10.808 6.513 ( 3.445 5.756 -0.979) 6.779 7.253 ( 4.263 1.734 -7.331) 8.656 7.488 ( 4.794 -2.007 -4.165) 6.660 10.749 ( -8.244 -10.315 -1.483) 13.288 11.044 ( -10.417 -14.081 5.864) 18.471 12.139 ( -8.306 -17.633 -4.114) 19.921 13.340 ( 1.758 5.068 -0.802) 5.424 15.155 ( 10.034 -0.089 0.082) 10.035 15.552 ( -13.605 5.161 3.851) 15.052 ======================= Grid point 517 (103/192) ======================= q-point: ( 0.27 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 3.532 17.039 6.024) 18.414 2.826 ( 8.739 15.782 -1.329) 18.088 3.631 ( 5.065 1.394 -5.435) 7.558 3.947 ( 1.649 15.230 -7.197) 16.926 5.243 ( 8.034 10.125 1.469) 13.008 5.549 ( 16.349 0.147 7.893) 18.155 6.630 ( 2.803 6.133 -1.143) 6.840 7.317 ( 3.330 -0.708 -5.246) 6.254 7.580 ( 4.743 1.020 -2.182) 5.319 10.490 ( -9.968 -8.392 -1.179) 13.084 10.783 ( -5.412 -8.532 1.916) 10.284 11.794 ( -10.609 -16.626 -2.081) 19.831 13.443 ( 2.699 6.931 -0.156) 7.439 15.277 ( 2.911 -2.079 -7.172) 8.015 15.401 ( -5.968 3.416 9.104) 11.409 ======================= Grid point 518 (104/192) ======================= q-point: ( 0.33 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 0.652 12.849 1.272) 12.929 3.126 ( 5.469 17.200 -2.567) 18.230 3.694 ( 2.835 -2.319 -1.338) 3.899 4.090 ( -2.336 14.048 -3.800) 14.739 5.417 ( 4.541 3.798 -0.488) 5.940 5.822 ( 13.935 -2.298 7.815) 16.141 6.728 ( 1.138 5.899 -1.284) 6.143 7.359 ( 2.519 -1.786 -3.091) 4.369 7.652 ( 1.825 1.401 0.502) 2.355 10.249 ( -8.274 -5.823 -0.146) 10.118 10.685 ( 0.732 -3.556 -0.837) 3.725 11.449 ( -9.985 -14.059 -1.391) 17.300 13.559 ( 1.410 7.938 -0.162) 8.064 15.188 ( -7.422 0.110 -1.603) 7.594 15.453 ( 6.450 -0.991 2.127) 6.864 ======================= Grid point 519 (105/192) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( -2.263 11.286 -1.283) 11.582 3.330 ( -0.222 10.993 -5.005) 12.080 3.706 ( 1.951 -1.327 3.039) 3.847 4.154 ( -6.112 13.446 -1.986) 14.902 5.486 ( 1.174 -0.498 -0.920) 1.572 5.960 ( 6.797 -7.175 6.887) 12.046 6.783 ( -1.387 5.095 -1.356) 5.452 7.363 ( 0.822 -3.168 -0.467) 3.306 7.670 ( -1.640 1.541 0.999) 2.462 10.104 ( -2.967 -2.300 0.423) 3.777 10.700 ( 2.350 -1.889 -1.537) 3.384 11.203 ( -2.790 -8.780 -1.701) 9.368 13.639 ( -1.675 7.626 -0.427) 7.820 15.070 ( -5.770 -0.018 0.905) 5.840 15.566 ( 7.815 -1.824 -0.921) 8.078 ======================= Grid point 520 (106/192) ======================= q-point: (-0.53 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -6.328 10.399 -1.982) 12.333 3.309 ( -7.257 -0.518 -4.221) 8.411 3.752 ( 1.391 1.528 3.697) 4.236 4.169 ( -7.544 14.785 -3.174) 16.899 5.443 ( -3.354 -4.259 -0.748) 5.472 5.913 ( -1.983 -10.088 7.104) 12.497 6.780 ( -4.088 3.783 -1.310) 5.722 7.326 ( -1.112 -3.240 1.385) 3.695 7.627 ( -4.501 1.084 -1.024) 4.741 10.107 ( 3.676 1.444 0.419) 3.972 10.677 ( -1.081 -3.514 -1.578) 4.000 11.226 ( 10.439 -1.453 -1.617) 10.663 13.648 ( -5.155 5.703 -0.483) 7.702 14.992 ( -3.542 1.069 1.509) 3.995 15.686 ( 8.387 -2.972 -1.372) 9.003 ======================= Grid point 521 (107/192) ======================= q-point: (-0.47 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -12.028 8.618 0.135) 14.798 3.114 ( -11.123 -4.363 -2.044) 12.122 3.727 ( -4.205 -1.597 1.656) 4.793 4.202 ( -5.599 12.717 -8.344) 16.208 5.290 ( -7.582 -5.246 1.049) 9.280 5.696 ( -10.699 -9.794 8.341) 16.732 6.720 ( -6.032 2.271 -1.185) 6.553 7.267 ( -2.509 -1.466 0.794) 3.013 7.544 ( -5.664 0.687 -3.793) 6.852 10.253 ( 9.114 4.109 -0.156) 9.999 10.653 ( 2.672 -1.689 -0.761) 3.251 11.472 ( 16.289 0.878 -1.296) 16.365 13.579 ( -7.206 2.854 -0.273) 7.756 14.966 ( -2.113 3.393 1.382) 4.229 15.791 ( 7.955 -5.252 -0.592) 9.551 ======================= Grid point 522 (108/192) ======================= q-point: (-0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -17.516 3.724 5.399) 18.704 2.848 ( -14.260 -3.586 -0.577) 14.715 3.603 ( -7.581 -0.881 -2.286) 7.967 4.150 ( -10.276 0.445 -15.179) 18.336 5.130 ( -6.565 1.690 5.328) 8.623 5.352 ( -17.837 -7.536 8.660) 21.212 6.622 ( -6.868 1.086 -1.079) 7.037 7.224 ( -1.629 0.844 -2.227) 2.885 7.449 ( -6.143 1.370 -5.510) 8.365 10.486 ( 11.652 4.404 -1.174) 12.512 10.762 ( 10.112 1.430 2.070) 10.420 11.786 ( 17.834 0.878 -1.931) 17.959 13.467 ( -6.927 0.484 -0.235) 6.948 14.976 ( -2.424 5.814 1.484) 6.471 15.849 ( 6.422 -8.590 0.500) 10.737 ======================= Grid point 523 (109/192) ======================= q-point: (-0.33 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -20.277 -0.394 9.827) 22.536 2.530 ( -18.114 -2.825 2.439) 18.495 3.458 ( -8.822 0.877 -6.222) 10.831 3.846 ( -18.174 -7.289 -14.626) 24.441 4.896 ( -24.575 -3.350 10.831) 27.064 5.142 ( -0.815 6.665 1.013) 6.791 6.508 ( -6.748 0.416 -0.956) 6.828 7.213 ( -2.881 1.052 -6.809) 7.468 7.384 ( -2.211 4.483 -4.717) 6.873 10.737 ( 12.438 2.975 -1.401) 12.865 11.034 ( 17.533 3.017 6.026) 18.784 12.108 ( 17.549 1.138 -4.016) 18.039 13.360 ( -4.864 -0.747 -0.778) 4.982 14.983 ( -5.016 7.501 2.214) 9.291 15.837 ( 4.245 -12.419 1.480) 13.208 ======================= Grid point 531 (110/192) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 5.637 13.476 2.945) 14.901 2.857 ( 10.603 18.392 5.242) 21.867 3.590 ( 2.675 4.289 -5.516) 7.482 4.080 ( 2.758 17.048 -12.402) 21.261 5.241 ( 4.899 9.211 1.778) 10.583 5.282 ( 13.613 4.779 9.754) 17.416 6.637 ( 3.826 6.221 -0.909) 7.360 7.258 ( 2.597 -0.330 -4.368) 5.093 7.503 ( 5.721 2.629 -3.727) 7.317 10.534 ( -5.968 -10.679 -2.156) 12.422 10.785 ( -5.531 -10.651 3.049) 12.383 11.795 ( -9.037 -16.302 -1.454) 18.696 13.464 ( 3.218 7.054 -0.226) 7.756 15.126 ( 8.200 -2.433 -0.755) 8.587 15.630 ( -12.854 2.249 2.723) 13.331 ======================= Grid point 532 (111/192) ======================= q-point: ( 0.27 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 3.447 10.680 -0.046) 11.222 3.224 ( 8.517 19.422 5.965) 22.031 3.638 ( 0.570 -0.167 -3.485) 3.535 4.279 ( -0.157 16.827 -8.802) 18.991 5.378 ( 5.199 2.415 0.533) 5.757 5.559 ( 11.968 1.420 7.404) 14.145 6.761 ( 2.673 6.528 -0.859) 7.106 7.296 ( 2.393 -1.419 -2.697) 3.875 7.619 ( 4.150 2.803 -0.544) 5.037 10.316 ( -7.133 -8.618 -1.498) 11.287 10.647 ( -1.187 -4.551 0.353) 4.717 11.468 ( -9.373 -15.300 -0.238) 17.944 13.605 ( 3.226 8.659 0.002) 9.240 15.217 ( 4.790 -3.379 -4.435) 7.350 15.451 ( -8.332 1.248 4.956) 9.775 ======================= Grid point 533 (112/192) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 1.361 9.247 -1.490) 9.464 3.510 ( -1.255 17.633 4.382) 18.213 3.630 ( 3.695 -3.148 0.779) 4.916 4.410 ( -4.532 17.133 -6.451) 18.860 5.459 ( 1.960 0.381 -0.696) 2.115 5.723 ( 10.102 -7.350 5.086) 13.488 6.855 ( 0.281 6.473 -0.811) 6.530 7.305 ( 1.527 -3.429 -0.870) 3.853 7.698 ( 1.153 2.912 1.827) 3.625 10.135 ( -4.591 -5.274 -0.861) 7.045 10.640 ( 2.602 -0.644 -0.650) 2.758 11.178 ( -6.514 -12.477 -0.250) 14.077 13.734 ( 0.816 8.740 -0.252) 8.782 15.181 ( -5.595 -0.524 -1.997) 5.963 15.420 ( 4.707 -2.386 1.836) 5.587 ======================= Grid point 534 (113/192) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -1.235 8.261 -2.604) 8.749 3.468 ( -8.385 1.315 0.646) 8.512 3.753 ( 2.072 6.020 6.474) 9.079 4.475 ( -7.862 17.558 -5.892) 20.120 5.446 ( -1.763 -3.359 -1.146) 3.963 5.769 ( 5.803 -10.815 4.119) 12.946 6.893 ( -3.108 5.476 -0.776) 6.344 7.287 ( 1.072 -4.044 0.505) 4.214 7.711 ( -2.663 2.332 2.052) 4.091 10.066 ( 0.920 -1.509 -0.667) 1.889 10.667 ( -0.454 -1.159 -0.607) 1.385 11.049 ( 4.769 -6.262 -0.586) 7.893 13.793 ( -3.495 6.829 -0.517) 7.689 15.083 ( -5.171 1.596 0.390) 5.426 15.504 ( 7.781 -4.265 -0.593) 8.893 ======================= Grid point 536 (114/192) ======================= q-point: (-0.53 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -6.232 1.975 -4.016) 7.672 3.316 ( -11.100 5.347 3.354) 12.769 3.768 ( -2.964 -0.675 4.879) 5.749 4.485 ( -9.877 13.898 -7.809) 18.754 5.346 ( -4.266 -4.070 0.506) 5.917 5.708 ( -1.366 -8.943 4.636) 10.165 6.855 ( -5.972 3.179 -0.690) 6.801 7.269 ( 0.388 -2.045 0.374) 2.115 7.657 ( -5.410 1.727 0.323) 5.688 10.137 ( 6.948 1.267 -0.863) 7.116 10.619 ( -1.089 -1.882 -0.732) 2.294 11.198 ( 14.249 -1.284 -0.128) 14.308 13.746 ( -7.535 3.472 -0.338) 8.303 15.045 ( -2.495 4.280 0.154) 4.956 15.590 ( 7.814 -6.278 -0.144) 10.025 ======================= Grid point 537 (115/192) ======================= q-point: (-0.47 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -11.522 -3.229 -0.900) 12.000 3.163 ( -16.541 7.115 4.611) 18.587 3.678 ( -3.651 -3.143 -0.455) 4.839 4.370 ( -12.888 1.656 -11.561) 17.392 5.258 ( -4.574 3.801 3.709) 7.009 5.538 ( -9.914 -5.042 6.111) 12.691 6.759 ( -7.158 1.178 -0.769) 7.295 7.258 ( -0.835 0.709 -1.431) 1.802 7.573 ( -5.894 2.071 -2.041) 6.572 10.317 ( 10.959 1.780 -1.504) 11.204 10.635 ( 4.577 -0.128 0.364) 4.593 11.475 ( 17.459 -0.250 -0.172) 17.462 13.616 ( -8.959 0.592 -0.062) 8.978 15.073 ( -1.196 6.821 -0.642) 6.954 15.641 ( 6.566 -9.119 1.281) 11.310 ======================= Grid point 548 (116/192) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 2.092 9.220 -1.768) 9.618 3.480 ( 10.910 2.864 3.417) 11.786 3.701 ( -2.125 8.618 4.987) 10.182 4.604 ( 3.670 14.171 -9.732) 17.578 5.367 ( 6.689 -1.816 2.215) 7.276 5.590 ( -1.344 0.631 2.770) 3.143 6.890 ( 3.376 6.013 -0.362) 6.906 7.258 ( 0.001 -2.263 -0.614) 2.345 7.689 ( 3.500 3.724 1.425) 5.306 10.150 ( -4.178 -7.171 -1.491) 8.433 10.606 ( 1.000 0.561 -0.339) 1.196 11.178 ( -8.208 -13.067 0.533) 15.441 13.778 ( 3.979 7.722 -0.207) 8.690 15.156 ( 5.356 -2.195 -2.173) 6.183 15.448 ( -8.557 -1.457 2.027) 8.914 ======================= Grid point 549 (117/192) ======================= q-point: ( 0.33 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 0.753 7.793 -1.942) 8.067 3.530 ( -0.751 -4.755 -0.439) 4.834 3.825 ( 1.014 10.585 11.798) 15.883 4.769 ( -3.469 17.211 -8.279) 19.411 5.440 ( 1.452 -1.952 -0.437) 2.472 5.535 ( 3.854 -10.332 1.371) 11.112 6.988 ( -0.086 6.498 -0.090) 6.500 7.221 ( 0.556 -4.769 0.290) 4.810 7.758 ( 0.369 2.605 3.268) 4.195 10.044 ( -1.315 -3.364 -1.531) 3.923 10.664 ( 2.115 3.140 -0.074) 3.787 10.947 ( -3.066 -10.107 0.366) 10.568 13.890 ( 0.288 5.928 -0.587) 5.964 15.185 ( -2.634 1.428 -1.089) 3.188 15.353 ( 2.293 -4.180 0.814) 4.837 ======================= Grid point 550 (118/192) ======================= q-point: (-0.60 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -4.881 1.609 -2.680) 5.796 3.472 ( -1.245 1.750 0.854) 2.312 3.855 ( -5.596 2.205 11.216) 12.727 4.800 ( -10.660 10.808 -8.488) 17.393 5.369 ( -2.345 -2.121 0.125) 3.164 5.569 ( 7.013 -7.320 1.034) 10.190 6.990 ( -5.506 3.293 -0.058) 6.416 7.214 ( 3.128 -2.464 0.430) 4.005 7.752 ( -3.141 1.385 3.073) 4.608 10.044 ( 3.588 -0.554 -1.531) 3.940 10.657 ( -4.233 0.156 -0.128) 4.238 10.954 ( 10.761 -2.830 0.424) 11.135 13.893 ( -4.981 2.545 -0.608) 5.626 15.143 ( -3.677 4.161 -0.404) 5.567 15.399 ( 6.738 -5.533 0.165) 8.720 ======================= Grid point 564 (119/192) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -2.215 -4.430 -1.181) 5.092 3.430 ( 2.215 4.430 -1.181) 5.092 3.933 ( -0.000 -0.000 13.898) 13.898 4.999 ( -0.000 -0.000 -8.789) 8.789 5.398 ( -0.887 -1.773 -0.263) 2.000 5.398 ( 0.887 1.773 -0.263) 2.000 7.114 ( -2.557 -5.115 0.419) 5.734 7.114 ( 2.557 5.115 0.419) 5.734 7.788 ( -0.000 -0.000 3.952) 3.952 10.009 ( -0.000 -0.000 -1.825) 1.825 10.770 ( -3.223 -6.446 0.386) 7.217 10.770 ( 3.223 6.446 0.386) 7.217 13.953 ( -0.000 -0.000 -0.805) 0.805 15.254 ( -2.414 -4.829 -0.105) 5.400 15.254 ( 2.414 4.829 -0.105) 5.400 ======================= Grid point 723 (120/192) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 0.000 21.174) 21.174 1.674 ( 0.000 -0.000 21.174) 21.174 2.743 ( -0.000 0.000 37.207) 37.207 2.817 ( 0.000 0.000 -11.669) 11.669 2.817 ( 0.000 -0.000 -11.669) 11.669 4.872 ( 0.000 0.000 -25.617) 25.617 6.191 ( 0.000 0.000 -0.371) 0.371 6.191 ( 0.000 -0.000 -0.371) 0.371 9.905 ( 0.000 -0.000 2.067) 2.067 11.478 ( 0.000 0.000 2.502) 2.502 11.478 ( 0.000 -0.000 2.502) 2.502 13.195 ( 0.000 0.000 -1.903) 1.903 13.195 ( 0.000 -0.000 -1.903) 1.903 13.756 ( -0.000 0.000 -0.602) 0.602 16.387 ( 0.000 -0.000 0.488) 0.488 ======================= Grid point 724 (121/192) ======================= q-point: ( 0.07 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 3.470 2.003 20.842) 21.224 1.769 ( 6.395 3.692 22.901) 24.062 2.643 ( -0.650 -0.375 4.189) 4.255 2.876 ( 3.919 2.263 -11.494) 12.352 3.146 ( 20.319 11.731 14.085) 27.366 4.899 ( 2.539 1.466 -23.145) 23.330 6.207 ( 1.294 0.747 -0.491) 1.572 6.294 ( 8.412 4.857 -1.896) 9.897 9.158 ( -44.008 -25.408 5.142) 51.076 11.453 ( -3.118 -1.800 1.372) 3.853 11.948 ( 20.682 11.941 1.827) 23.951 13.099 ( -8.071 -4.660 -5.127) 10.637 13.176 ( -0.610 -0.352 -0.880) 1.127 13.949 ( 16.704 9.644 -0.924) 19.311 16.229 ( -12.172 -7.027 3.073) 14.387 ======================= Grid point 725 (122/192) ======================= q-point: ( 0.13 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 7.349 4.243 18.059) 19.953 1.975 ( 10.914 6.301 24.160) 27.250 2.719 ( 6.582 3.800 -9.763) 12.373 3.001 ( 6.732 3.887 -10.401) 12.985 3.700 ( 25.856 14.928 14.110) 33.022 4.997 ( 5.776 3.335 -17.372) 18.609 6.252 ( 2.516 1.453 -0.673) 2.982 6.553 ( 12.799 7.390 -5.009) 15.605 8.245 ( -31.496 -18.184 2.142) 36.431 11.329 ( -7.444 -4.298 0.146) 8.597 12.096 ( -7.084 -4.090 9.096) 12.233 12.860 ( -11.330 -6.541 -12.849) 18.337 13.173 ( 0.499 0.288 0.217) 0.616 14.456 ( 22.771 13.147 -2.722) 26.434 15.912 ( -12.907 -7.452 8.369) 17.092 ======================= Grid point 726 (123/192) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 9.012 5.203 13.574) 17.104 2.253 ( 11.923 6.884 18.847) 23.340 2.939 ( 12.004 6.930 -14.846) 20.311 3.188 ( 9.073 5.239 -8.390) 13.423 4.314 ( 25.355 14.639 11.279) 31.375 5.170 ( 8.976 5.182 -11.217) 15.272 6.325 ( 3.624 2.092 -0.900) 4.280 6.858 ( 12.473 7.201 -7.209) 16.106 7.697 ( -15.538 -8.971 -3.277) 18.238 11.108 ( -11.117 -6.418 -0.487) 12.846 11.745 ( -19.884 -11.480 9.260) 24.757 12.585 ( -12.311 -7.108 -12.422) 18.878 13.203 ( 2.085 1.204 0.826) 2.545 14.893 ( 13.281 7.668 -5.314) 16.230 15.678 ( -6.542 -3.777 13.200) 15.209 ======================= Grid point 727 (124/192) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 8.682 5.013 8.498) 13.143 2.507 ( 9.556 5.517 9.370) 14.476 3.261 ( 14.531 8.389 -10.516) 19.802 3.417 ( 10.086 5.823 -5.739) 12.984 4.842 ( 18.646 10.765 6.395) 22.460 5.429 ( 13.453 7.767 -5.268) 16.403 6.419 ( 4.285 2.474 -1.143) 5.078 7.108 ( 8.208 4.739 -7.226) 11.918 7.492 ( -2.401 -1.386 -6.536) 7.100 10.821 ( -12.932 -7.466 -0.326) 14.936 11.269 ( -19.053 -11.000 4.504) 22.457 12.272 ( -14.417 -8.324 -7.379) 18.209 13.268 ( 3.322 1.918 0.806) 3.920 15.078 ( 3.292 1.901 -7.236) 8.174 15.599 ( -0.868 -0.501 15.207) 15.240 ======================= Grid point 728 (125/192) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 7.132 4.117 3.754) 9.050 2.710 ( 7.902 4.562 2.401) 9.435 3.571 ( 10.927 6.309 -4.613) 13.434 3.646 ( 9.084 5.245 -2.953) 10.897 5.180 ( 10.853 6.266 0.718) 12.553 5.788 ( 15.934 9.200 0.402) 18.404 6.519 ( 4.111 2.373 -1.344) 4.933 7.241 ( 3.891 2.247 -5.543) 7.135 7.536 ( 4.383 2.530 -6.659) 8.364 10.521 ( -12.134 -7.005 0.309) 14.014 10.899 ( -11.785 -6.804 0.594) 13.621 11.913 ( -15.893 -9.176 -3.621) 18.706 13.352 ( 3.618 2.089 0.421) 4.199 15.100 ( -0.489 -0.282 -5.552) 5.581 15.600 ( 0.427 0.246 11.944) 11.954 ======================= Grid point 729 (126/192) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 4.969 2.869 -0.094) 5.738 2.883 ( 6.849 3.954 -2.113) 8.186 3.753 ( 4.581 2.645 -0.478) 5.312 3.828 ( 6.011 3.470 -0.466) 6.956 5.384 ( 6.731 3.886 -1.092) 7.849 6.118 ( 11.129 6.425 3.196) 13.242 6.604 ( 2.912 1.682 -1.427) 3.653 7.318 ( 2.731 1.576 -4.380) 5.397 7.630 ( 2.801 1.617 -3.363) 4.666 10.272 ( -8.629 -4.982 0.955) 10.010 10.727 ( -3.084 -1.781 -1.750) 3.968 11.545 ( -14.727 -8.503 -1.884) 17.109 13.430 ( 2.811 1.623 -0.014) 3.246 15.078 ( -1.205 -0.696 -2.533) 2.890 15.614 ( 1.011 0.583 6.476) 6.580 ======================= Grid point 730 (127/192) ======================= q-point: ( 0.47 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 2.503 1.445 -2.752) 3.991 3.023 ( 4.645 2.682 -6.264) 8.247 3.805 ( 0.481 0.278 2.316) 2.382 3.916 ( 1.360 0.785 1.494) 2.168 5.491 ( 2.099 1.212 -0.838) 2.565 6.281 ( 2.463 1.422 5.233) 5.956 6.650 ( 0.917 0.530 -1.347) 1.713 7.365 ( 1.116 0.644 -3.727) 3.944 7.648 ( -1.449 -0.836 0.913) 1.906 10.132 ( -3.043 -1.757 1.271) 3.737 10.718 ( 0.823 0.475 -2.238) 2.431 11.272 ( -6.863 -3.962 -1.975) 8.167 13.477 ( 1.134 0.655 -0.322) 1.349 15.044 ( -1.690 -0.976 0.570) 2.033 15.660 ( 3.044 1.757 0.747) 3.593 ======================= Grid point 731 (128/192) ======================= q-point: (-0.47 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -0.100 -0.058 -4.033) 4.035 3.077 ( -0.504 -0.291 -8.561) 8.580 3.808 ( 0.344 0.198 2.014) 2.053 3.886 ( -3.904 -2.254 2.839) 5.327 5.473 ( -3.663 -2.115 -0.112) 4.231 6.228 ( -6.867 -3.965 7.570) 10.962 6.645 ( -1.290 -0.745 -1.149) 1.881 7.367 ( -1.017 -0.587 -2.941) 3.167 7.561 ( -5.747 -3.318 3.596) 7.548 10.135 ( 3.234 1.867 1.159) 3.910 10.700 ( -1.952 -1.127 -1.409) 2.658 11.291 ( 7.939 4.584 -2.764) 9.575 13.481 ( -0.837 -0.483 -0.459) 1.070 15.001 ( -1.857 -1.072 2.596) 3.367 15.757 ( 5.040 2.910 -3.448) 6.764 ======================= Grid point 732 (129/192) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -2.780 -1.605 -3.709) 4.905 2.992 ( -6.432 -3.714 -5.669) 9.344 3.739 ( -8.369 -4.832 3.364) 10.233 3.816 ( -0.518 -0.299 -4.866) 4.903 5.328 ( -8.115 -4.685 1.353) 9.468 5.970 ( -14.862 -8.581 9.963) 19.844 6.593 ( -3.092 -1.785 -0.944) 3.693 7.313 ( -3.630 -2.096 -0.902) 4.288 7.404 ( -6.811 -3.933 2.521) 8.259 10.276 ( 8.459 4.884 0.802) 9.801 10.700 ( 3.175 1.833 -0.478) 3.697 11.562 ( 13.694 7.906 -2.567) 16.019 13.441 ( -2.380 -1.374 -0.491) 2.791 14.962 ( -1.439 -0.831 3.519) 3.892 15.881 ( 5.182 2.992 -5.705) 8.267 ======================= Grid point 733 (130/192) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -5.578 -3.220 -1.310) 6.572 2.796 ( -9.933 -5.735 0.401) 11.477 3.511 ( -10.630 -6.137 2.416) 12.510 3.729 ( -7.918 -4.571 -14.546) 17.181 5.137 ( -7.194 -4.154 2.969) 8.822 5.546 ( -20.758 -11.985 11.804) 26.718 6.506 ( -4.100 -2.367 -0.787) 4.799 7.202 ( -5.650 -3.262 -0.973) 6.596 7.274 ( -3.615 -2.087 1.105) 4.318 10.514 ( 11.408 6.587 0.588) 13.186 10.876 ( 11.994 6.925 1.786) 13.965 11.890 ( 13.628 7.868 -2.550) 15.941 13.376 ( -2.959 -1.708 -0.581) 3.466 14.931 ( -1.417 -0.818 4.078) 4.394 15.985 ( 3.344 1.931 -6.697) 7.730 ======================= Grid point 734 (131/192) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -8.263 -4.771 3.558) 10.183 2.534 ( -12.338 -7.124 8.326) 16.502 3.262 ( -10.106 -5.835 -0.710) 11.691 3.444 ( -15.235 -8.796 -19.708) 26.417 4.942 ( -18.262 -10.543 6.423) 22.043 5.079 ( -10.052 -5.804 6.616) 13.361 6.407 ( -4.199 -2.424 -0.647) 4.892 7.034 ( -8.677 -5.009 -4.301) 10.903 7.286 ( 5.524 3.189 2.203) 6.748 10.792 ( 11.852 6.843 0.864) 13.712 11.264 ( 20.865 12.046 5.342) 24.678 12.181 ( 10.792 6.231 -3.621) 12.977 13.310 ( -2.541 -1.467 -0.913) 3.073 14.879 ( -3.559 -2.055 4.509) 6.101 16.033 ( 0.799 0.461 -6.736) 6.799 ======================= Grid point 735 (132/192) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -9.730 -5.618 9.821) 14.922 2.218 ( -14.180 -8.187 17.040) 23.632 3.051 ( -7.710 -4.451 -5.147) 10.283 3.082 ( -14.366 -8.294 -17.634) 24.211 4.355 ( -27.075 -15.631 12.162) 33.545 4.988 ( -2.354 -1.359 -6.166) 6.738 6.315 ( -3.526 -2.036 -0.500) 4.102 6.800 ( -11.032 -6.369 -4.676) 13.570 7.564 ( 18.730 10.814 2.442) 21.765 11.056 ( 10.340 5.970 1.648) 12.052 11.830 ( 26.180 15.115 9.683) 31.743 12.385 ( 6.406 3.698 -7.103) 10.255 13.261 ( -1.623 -0.937 -1.521) 2.414 14.730 ( -9.909 -5.721 3.902) 12.089 16.038 ( 0.313 0.181 -5.069) 5.082 ======================= Grid point 736 (133/192) ======================= q-point: (-0.13 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -11.664 -6.734 23.067) 26.711 1.948 ( -8.973 -5.180 15.342) 18.512 2.801 ( -9.127 -5.269 -8.051) 13.262 2.904 ( -4.788 -2.764 -8.812) 10.403 3.723 ( -26.045 -15.037 12.962) 32.749 4.935 ( -2.189 -1.264 -15.651) 15.854 6.245 ( -2.398 -1.384 -0.379) 2.794 6.531 ( -11.446 -6.608 -3.826) 13.759 8.186 ( 34.345 19.829 4.798) 39.948 11.269 ( 7.690 4.440 2.532) 9.233 12.302 ( 3.141 1.813 9.832) 10.480 12.578 ( 17.813 10.285 -9.451) 22.637 13.232 ( -0.901 -0.520 -2.144) 2.383 14.389 ( -18.806 -10.858 1.259) 21.752 16.088 ( 4.751 2.743 -1.046) 5.585 ======================= Grid point 737 (134/192) ======================= q-point: (-0.07 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -4.726 -2.728 23.662) 24.283 1.767 ( -6.101 -3.522 19.190) 20.442 2.673 ( -1.196 -0.690 6.706) 6.847 2.826 ( -1.827 -1.055 -10.887) 11.090 3.165 ( -20.604 -11.896 11.596) 26.467 4.891 ( -1.464 -0.845 -22.917) 22.979 6.203 ( -1.140 -0.658 -0.331) 1.357 6.293 ( -8.000 -4.619 -1.790) 9.410 9.149 ( 45.206 26.100 5.613) 52.501 11.413 ( 4.502 2.599 2.933) 5.969 12.010 ( -25.061 -14.469 -0.515) 28.943 13.018 ( 14.418 8.324 -1.649) 16.730 13.214 ( -0.741 -0.428 -2.360) 2.511 13.943 ( -15.670 -9.047 -0.570) 18.103 16.260 ( 8.579 4.953 1.344) 9.998 ======================= Grid point 739 (135/192) ======================= q-point: ( 0.07 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 3.035 9.427 20.638) 22.891 1.905 ( 6.048 9.224 21.180) 23.880 2.706 ( 0.828 6.654 -5.791) 8.860 2.929 ( 6.239 4.052 -9.889) 12.375 3.549 ( 13.533 25.302 13.764) 31.824 4.942 ( 3.507 2.536 -18.516) 19.015 6.236 ( 1.552 2.158 -0.486) 2.703 6.465 ( 7.124 11.116 -3.788) 13.736 8.436 ( -19.911 -38.085 4.461) 43.207 11.344 ( -1.649 -7.697 1.638) 8.040 12.205 ( -4.529 6.399 5.838) 9.774 12.805 ( -1.128 -20.900 -7.100) 22.102 13.205 ( -1.675 1.398 -2.170) 3.077 14.295 ( 14.510 21.318 -0.682) 25.796 16.059 ( -10.582 -7.471 3.317) 13.372 ======================= Grid point 740 (136/192) ======================= q-point: ( 0.13 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 5.167 12.050 15.094) 19.994 2.153 ( 9.653 10.873 20.685) 25.283 2.850 ( 6.477 8.795 -14.290) 17.987 3.108 ( 7.632 6.968 -9.004) 13.707 4.100 ( 19.556 23.090 12.528) 32.750 5.066 ( 7.216 3.265 -12.588) 14.872 6.300 ( 2.533 3.273 -0.708) 4.199 6.737 ( 10.479 9.995 -6.204) 15.754 7.822 ( -14.478 -20.703 -0.435) 25.267 11.186 ( -6.439 -9.202 0.085) 11.232 11.956 ( -17.292 -11.895 11.057) 23.722 12.590 ( -2.482 -16.359 -11.923) 20.394 13.203 ( -0.112 2.023 -0.855) 2.199 14.757 ( 14.527 14.179 -1.926) 20.391 15.806 ( -11.068 -2.530 7.294) 13.495 ======================= Grid point 741 (137/192) ======================= q-point: ( 0.20 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 5.209 14.052 9.910) 17.967 2.425 ( 8.386 9.780 13.809) 18.885 3.108 ( 11.983 9.262 -13.641) 20.383 3.334 ( 8.458 9.279 -7.045) 14.397 4.657 ( 18.247 18.233 9.191) 27.384 5.265 ( 11.498 3.942 -7.245) 14.150 6.389 ( 3.177 4.263 -0.941) 5.399 7.006 ( 9.488 6.897 -7.245) 13.787 7.511 ( -4.555 -8.162 -4.629) 10.431 10.939 ( -10.068 -9.824 -0.623) 14.080 11.477 ( -19.024 -15.068 6.930) 25.239 12.351 ( -7.464 -14.046 -8.244) 17.915 13.247 ( 2.055 3.032 0.228) 3.670 15.047 ( 6.149 6.583 -4.857) 10.234 15.642 ( -5.681 -0.222 11.615) 12.931 ======================= Grid point 742 (138/192) ======================= q-point: ( 0.27 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 2.918 15.969 5.442) 17.121 2.641 ( 6.464 7.455 5.600) 11.346 3.421 ( 12.802 6.758 -7.288) 16.207 3.583 ( 7.819 10.541 -4.668) 13.930 5.067 ( 11.263 10.776 3.107) 15.894 5.567 ( 17.007 5.610 -1.316) 17.956 6.493 ( 3.195 4.802 -1.161) 5.883 7.186 ( 5.258 2.817 -5.882) 8.377 7.477 ( 4.000 0.246 -6.581) 7.705 10.651 ( -11.267 -8.995 -0.494) 14.426 11.039 ( -14.270 -11.424 2.615) 18.465 12.042 ( -11.543 -13.331 -4.380) 18.170 13.330 ( 2.892 4.277 0.471) 5.184 15.129 ( -0.871 2.610 -6.455) 7.017 15.590 ( -0.517 -0.682 12.738) 12.766 ======================= Grid point 743 (139/192) ======================= q-point: ( 0.33 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -0.879 16.362 2.255) 16.540 2.821 ( 6.246 6.410 -0.238) 8.953 3.660 ( 8.501 2.637 -1.968) 9.115 3.804 ( 4.947 9.829 -2.184) 11.219 5.305 ( 7.253 5.654 -0.740) 9.226 5.923 ( 16.187 3.717 2.328) 16.771 6.592 ( 2.299 4.704 -1.298) 5.394 7.279 ( 3.485 1.544 -4.252) 5.710 7.582 ( 4.830 2.150 -5.050) 7.312 10.379 ( -9.896 -6.833 0.209) 12.028 10.768 ( -6.080 -5.924 -0.476) 8.501 11.688 ( -13.198 -12.356 -2.057) 18.196 13.425 ( 2.115 5.168 0.243) 5.589 15.111 ( -2.466 0.962 -4.495) 5.216 15.587 ( 1.242 -1.505 9.033) 9.241 ======================= Grid point 744 (140/192) ======================= q-point: ( 0.40 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -3.655 14.026 0.061) 14.494 2.987 ( 4.581 6.730 -4.907) 9.506 3.774 ( 3.344 -0.077 1.400) 3.626 3.943 ( 0.636 7.524 0.036) 7.551 5.448 ( 4.307 2.148 -1.193) 4.959 6.171 ( 9.798 -1.325 4.006) 10.668 6.662 ( 0.468 3.982 -1.291) 4.212 7.342 ( 2.204 0.657 -3.373) 4.082 7.656 ( 1.019 1.206 -1.175) 1.968 10.182 ( -5.716 -3.905 0.841) 6.974 10.695 ( 0.955 -1.368 -1.989) 2.596 11.358 ( -10.244 -9.456 -1.400) 14.011 13.500 ( 0.137 5.250 -0.100) 5.253 15.073 ( -2.350 -0.047 -1.266) 2.669 15.608 ( 3.003 -1.162 3.511) 4.764 ======================= Grid point 745 (141/192) ======================= q-point: ( 0.47 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -5.653 11.350 -1.542) 12.773 3.095 ( 0.391 4.450 -8.218) 9.354 3.801 ( 0.661 -0.269 2.810) 2.899 3.976 ( -4.202 5.045 1.502) 6.735 5.490 ( -0.320 -1.424 -0.566) 1.566 6.227 ( 1.051 -6.469 5.831) 8.772 6.685 ( -1.872 2.825 -1.149) 3.578 7.366 ( 0.414 -0.689 -2.650) 2.769 7.632 ( -4.209 -0.495 2.208) 4.779 10.111 ( 0.356 -0.373 0.983) 1.110 10.705 ( -0.169 -1.841 -1.586) 2.436 11.211 ( 2.309 -1.798 -2.168) 3.642 13.530 ( -2.308 4.391 -0.354) 4.973 15.028 ( -2.243 -0.590 1.529) 2.778 15.676 ( 5.468 -0.235 -1.456) 5.663 ======================= Grid point 747 (142/192) ======================= q-point: (-0.47 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -7.710 8.863 -2.265) 11.964 3.073 ( -5.294 -0.216 -7.237) 8.969 3.794 ( -1.871 -1.584 1.122) 2.696 3.913 ( -7.274 4.854 0.073) 8.745 5.406 ( -5.586 -4.227 0.599) 7.031 6.080 ( -7.951 -10.035 8.083) 15.141 6.655 ( -3.999 1.571 -0.970) 4.405 7.340 ( -1.797 -2.090 -1.303) 3.049 7.508 ( -7.886 -1.564 2.776) 8.505 10.186 ( 6.313 2.981 0.686) 7.015 10.669 ( 0.470 -1.543 -0.855) 1.825 11.382 ( 13.194 4.032 -2.371) 13.999 13.508 ( -4.308 2.797 -0.448) 5.156 14.987 ( -1.843 -0.083 2.977) 3.502 15.786 ( 6.867 -0.203 -4.441) 8.180 ======================= Grid point 748 (143/192) ======================= q-point: (-0.40 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -9.893 6.174 -1.481) 11.755 2.920 ( -9.425 -3.261 -2.413) 10.261 3.653 ( -9.921 -3.731 1.978) 10.783 3.840 ( -7.299 2.064 -9.620) 12.251 5.235 ( -7.934 -3.807 2.572) 9.169 5.756 ( -15.950 -11.697 10.121) 22.218 6.581 ( -5.382 0.534 -0.827) 5.471 7.259 ( -4.283 -2.998 0.583) 5.261 7.356 ( -7.180 -0.773 0.098) 7.222 10.379 ( 10.481 4.956 0.208) 11.595 10.745 ( 8.239 2.605 0.625) 8.664 11.691 ( 15.730 4.635 -2.120) 16.535 13.442 ( -5.081 0.976 -0.486) 5.196 14.964 ( -1.650 1.310 3.643) 4.208 15.897 ( 6.318 -1.639 -5.760) 8.705 ======================= Grid point 749 (144/192) ======================= q-point: (-0.33 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -12.020 2.959 1.586) 12.480 2.691 ( -11.993 -4.298 4.129) 13.392 3.413 ( -12.025 -3.951 -0.337) 12.662 3.637 ( -14.414 -4.246 -16.490) 22.310 5.089 ( -6.580 -0.036 2.370) 6.994 5.298 ( -21.503 -11.648 11.432) 26.996 6.483 ( -5.805 -0.090 -0.720) 5.850 7.136 ( -6.790 -2.868 -2.954) 7.941 7.270 ( -1.478 1.486 1.028) 2.334 10.637 ( 12.525 5.184 0.088) 13.556 11.022 ( 17.449 7.163 3.508) 19.185 12.002 ( 14.503 3.230 -2.608) 15.085 13.358 ( -4.413 -0.498 -0.705) 4.497 14.946 ( -3.083 2.639 4.141) 5.798 15.964 ( 4.405 -4.066 -5.964) 8.456 ======================= Grid point 750 (145/192) ======================= q-point: (-0.27 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -13.393 -1.015 6.948) 15.122 2.414 ( -14.545 -3.880 12.293) 19.435 3.162 ( -11.380 -5.243 -7.510) 14.608 3.303 ( -16.316 -3.621 -14.856) 22.361 4.717 ( -27.539 -9.528 11.079) 31.176 5.047 ( -4.012 1.422 -1.831) 4.633 6.382 ( -5.310 -0.289 -0.613) 5.353 6.951 ( -10.735 -2.746 -5.044) 12.175 7.378 ( 10.572 5.245 1.067) 11.850 10.910 ( 12.392 4.588 0.604) 13.228 11.492 ( 25.541 9.383 7.338) 28.182 12.255 ( 11.176 1.624 -4.828) 12.282 13.284 ( -2.794 -1.336 -1.250) 3.340 14.884 ( -8.045 2.725 4.112) 9.437 15.973 ( 2.987 -6.284 -4.766) 8.434 ======================= Grid point 751 (146/192) ======================= q-point: (-0.20 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -13.822 -5.086 15.423) 21.325 2.129 ( -14.223 -0.652 17.433) 22.509 2.902 ( -10.495 -6.081 -13.398) 18.073 3.055 ( -10.966 1.728 -8.728) 14.122 4.117 ( -30.091 -6.893 12.571) 33.332 4.996 ( -4.191 2.058 -10.595) 11.579 6.295 ( -4.131 -0.148 -0.519) 4.166 6.712 ( -13.313 -1.812 -5.059) 14.356 7.765 ( 26.188 7.442 2.044) 27.302 11.155 ( 10.379 3.575 1.344) 11.060 12.044 ( 25.109 3.228 12.693) 28.319 12.445 ( 9.170 4.878 -10.874) 15.038 13.235 ( -1.137 -1.649 -1.943) 2.790 14.683 ( -17.799 1.169 2.140) 17.965 15.971 ( 5.336 -6.565 -1.043) 8.524 ======================= Grid point 756 (147/192) ======================= q-point: ( 0.13 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 5.111 15.714 9.699) 19.161 2.399 ( 8.359 12.879 14.866) 21.372 3.067 ( 4.546 12.203 -14.646) 19.599 3.294 ( 8.243 11.541 -8.402) 16.485 4.599 ( 12.814 25.161 10.902) 30.268 5.121 ( 7.750 2.051 -6.096) 10.072 6.383 ( 3.010 4.821 -0.698) 5.726 6.937 ( 7.140 9.268 -6.280) 13.278 7.473 ( -3.223 -12.670 -1.562) 13.167 10.969 ( -5.822 -11.873 -0.245) 13.226 11.590 ( -13.761 -22.243 8.424) 27.479 12.294 ( -3.671 -12.668 -6.813) 14.845 13.257 ( 0.665 3.435 -1.072) 3.659 14.972 ( 9.466 6.478 1.223) 11.535 15.800 ( -10.294 1.309 1.796) 10.531 ======================= Grid point 757 (148/192) ======================= q-point: ( 0.20 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 6.014 15.612 4.157) 17.239 2.657 ( 4.840 14.335 10.791) 18.584 3.297 ( 8.706 8.921 -10.545) 16.328 3.570 ( 8.026 13.777 -6.858) 17.357 5.023 ( 9.165 16.854 6.318) 20.198 5.329 ( 14.072 2.724 -1.669) 14.430 6.494 ( 3.222 5.858 -0.853) 6.739 7.124 ( 5.478 4.466 -5.540) 8.980 7.402 ( 3.368 -1.979 -4.402) 5.886 10.722 ( -8.312 -11.264 -1.184) 14.049 11.148 ( -13.229 -16.455 4.444) 21.575 12.060 ( -7.275 -14.279 -3.769) 16.463 13.331 ( 2.564 5.346 -0.095) 5.930 15.132 ( 4.117 1.598 -1.960) 4.832 15.654 ( -7.251 0.967 5.885) 9.388 ======================= Grid point 758 (149/192) ======================= q-point: ( 0.27 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 5.864 9.480 0.304) 11.151 2.872 ( -0.838 22.371 6.282) 23.251 3.526 ( 9.353 3.495 -4.310) 10.876 3.836 ( 5.563 13.918 -4.708) 15.711 5.261 ( 5.204 7.864 0.246) 9.433 5.652 ( 17.174 2.618 2.656) 17.574 6.609 ( 2.534 6.390 -0.955) 6.940 7.230 ( 3.771 1.752 -3.419) 5.383 7.507 ( 6.281 2.738 -5.170) 8.583 10.465 ( -8.675 -9.027 -1.137) 12.572 10.817 ( -8.320 -9.923 1.375) 13.022 11.756 ( -10.202 -14.390 -1.672) 17.718 13.445 ( 2.866 7.024 0.314) 7.592 15.163 ( -1.109 0.486 -4.747) 4.899 15.569 ( -2.254 -1.364 8.220) 8.632 ======================= Grid point 759 (150/192) ======================= q-point: ( 0.33 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 1.347 8.269 1.750) 8.559 3.082 ( -2.743 23.299 -1.667) 23.519 3.684 ( 6.663 -0.058 0.733) 6.703 4.032 ( 1.241 12.265 -2.533) 12.585 5.399 ( 4.064 3.319 -1.466) 5.448 5.931 ( 13.942 -2.993 3.353) 14.648 6.705 ( 0.873 6.287 -0.970) 6.421 7.301 ( 2.934 0.416 -2.355) 3.785 7.634 ( 3.919 3.255 -2.582) 5.711 10.244 ( -6.962 -6.415 -0.288) 9.471 10.668 ( -0.981 -3.691 -0.858) 3.914 11.428 ( -10.437 -12.813 -0.667) 16.539 13.560 ( 1.133 7.936 0.214) 8.019 15.127 ( -3.091 0.501 -3.600) 4.771 15.541 ( 1.582 -2.958 5.744) 6.652 ======================= Grid point 760 (151/192) ======================= q-point: ( 0.40 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -2.771 9.622 1.624) 10.144 3.217 ( -5.496 16.449 -6.119) 18.391 3.770 ( 3.153 0.615 3.263) 4.579 4.126 ( -3.565 10.293 -1.072) 10.946 5.465 ( 1.586 -0.610 -1.186) 2.072 6.067 ( 7.977 -8.668 3.891) 12.406 6.761 ( -1.599 5.535 -0.914) 5.833 7.337 ( 1.625 -1.274 -1.622) 2.626 7.691 ( -1.198 2.443 0.665) 2.801 10.111 ( -2.176 -3.174 0.221) 3.854 10.671 ( 2.029 -0.950 -1.362) 2.622 11.177 ( -3.918 -8.056 -0.903) 9.004 13.634 ( -1.961 7.574 -0.112) 7.824 15.074 ( -3.205 0.208 -0.395) 3.236 15.567 ( 4.802 -2.851 0.993) 5.672 ======================= Grid point 761 (152/192) ======================= q-point: (-0.53 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -6.576 9.806 0.518) 11.818 3.212 ( -8.688 7.577 -5.457) 12.755 3.810 ( -0.424 1.489 1.966) 2.502 4.122 ( -7.752 9.238 -1.531) 12.156 5.436 ( -2.383 -3.614 0.041) 4.329 6.036 ( 0.438 -11.697 5.250) 12.829 6.759 ( -4.223 4.228 -0.821) 6.032 7.333 ( 0.008 -2.497 -0.703) 2.595 7.638 ( -6.654 1.153 2.049) 7.058 10.112 ( 3.976 0.314 0.158) 3.991 10.654 ( -1.240 -2.657 -0.695) 3.013 11.194 ( 9.976 -0.206 -1.562) 10.099 13.639 ( -5.185 5.757 -0.344) 7.756 15.026 ( -2.391 0.636 1.881) 3.108 15.647 ( 7.039 -2.720 -2.526) 7.958 ======================= Grid point 762 (153/192) ======================= q-point: (-0.47 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -9.917 7.156 -1.054) 12.274 3.086 ( -11.677 3.944 -0.951) 12.362 3.754 ( -5.780 -2.578 0.359) 6.339 4.050 ( -10.353 7.499 -6.237) 14.224 5.322 ( -5.714 -3.222 2.059) 6.875 5.850 ( -7.868 -11.668 7.032) 15.732 6.701 ( -6.150 2.660 -0.727) 6.740 7.287 ( -2.149 -2.771 0.344) 3.523 7.503 ( -8.990 0.892 0.532) 9.050 10.247 ( 8.992 2.724 -0.380) 9.403 10.647 ( 3.776 -0.546 0.048) 3.816 11.445 ( 15.691 2.140 -1.314) 15.891 13.573 ( -7.172 3.045 -0.353) 7.800 15.009 ( -1.314 2.363 2.763) 3.865 15.744 ( 7.418 -3.919 -3.995) 9.292 ======================= Grid point 763 (154/192) ======================= q-point: (-0.40 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -11.964 0.985 -0.960) 12.043 2.899 ( -14.773 5.155 4.460) 16.270 3.569 ( -10.032 -4.931 -1.822) 11.326 3.878 ( -14.738 1.134 -11.444) 18.694 5.206 ( -5.722 1.625 2.986) 6.656 5.529 ( -16.105 -9.625 8.494) 20.595 6.604 ( -6.951 1.318 -0.689) 7.109 7.206 ( -4.113 -1.835 -0.392) 4.521 7.369 ( -7.130 1.884 -1.654) 7.558 10.463 ( 11.785 2.997 -1.004) 12.202 10.803 ( 12.806 2.843 1.985) 13.267 11.752 ( 16.301 1.592 -1.420) 16.440 13.461 ( -7.181 0.591 -0.381) 7.216 15.023 ( -1.294 4.439 3.084) 5.558 15.814 ( 6.105 -6.297 -3.928) 9.610 ======================= Grid point 764 (155/192) ======================= q-point: (-0.33 0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -14.452 -1.594 3.502) 14.955 2.664 ( -15.939 2.162 9.182) 18.521 3.324 ( -11.936 -4.510 -7.991) 15.055 3.578 ( -17.482 -1.277 -11.217) 20.810 5.097 ( -23.190 -6.376 9.644) 25.912 5.154 ( -4.902 5.447 -0.154) 7.330 6.491 ( -6.725 0.482 -0.694) 6.778 7.100 ( -7.263 -0.362 -4.444) 8.523 7.324 ( 0.260 3.533 -1.308) 3.777 10.714 ( 13.482 2.197 -0.839) 13.686 11.142 ( 21.189 3.776 4.749) 22.040 12.039 ( 14.578 0.996 -2.879) 14.893 13.345 ( -5.555 -0.799 -0.676) 5.653 15.035 ( -3.804 5.545 2.959) 7.346 15.827 ( 4.215 -8.759 -2.302) 9.989 ======================= Grid point 772 (156/192) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 4.677 10.576 0.686) 11.584 3.008 ( 10.941 17.176 8.584) 22.100 3.471 ( 2.041 8.615 -6.456) 10.957 3.875 ( 7.357 15.405 -8.358) 19.008 5.267 ( 4.029 4.969 1.062) 6.485 5.438 ( 10.527 10.030 5.897) 15.691 6.621 ( 3.808 6.393 -0.661) 7.471 7.194 ( 2.548 2.862 -2.145) 4.391 7.427 ( 6.387 3.815 -3.623) 8.275 10.495 ( -6.113 -10.773 -1.689) 12.500 10.841 ( -7.092 -13.009 2.375) 15.005 11.768 ( -8.174 -14.503 -1.204) 16.691 13.462 ( 3.634 7.286 -0.031) 8.142 15.124 ( 4.193 -1.819 0.342) 4.583 15.665 ( -8.602 -0.228 0.980) 8.661 ======================= Grid point 773 (157/192) ======================= q-point: ( 0.27 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 3.486 8.865 -0.336) 9.531 3.365 ( 4.500 23.828 7.274) 25.317 3.566 ( 3.665 1.014 -3.055) 4.877 4.129 ( 3.787 14.492 -6.420) 16.297 5.376 ( 3.217 3.263 -0.682) 4.633 5.674 ( 10.568 -0.419 4.199) 11.379 6.747 ( 2.535 6.983 -0.528) 7.447 7.256 ( 2.361 0.608 -1.316) 2.771 7.589 ( 5.995 5.231 -2.443) 8.323 10.286 ( -6.221 -8.606 -1.387) 10.710 10.655 ( -2.731 -5.582 0.369) 6.225 11.464 ( -9.302 -14.169 -0.120) 16.949 13.607 ( 3.262 8.562 0.228) 9.165 15.152 ( 0.957 -1.204 -2.495) 2.931 15.532 ( -4.622 -2.340 3.611) 6.314 ======================= Grid point 774 (158/192) ======================= q-point: ( 0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 1.399 8.082 -0.434) 8.213 3.526 ( -6.867 11.419 -2.320) 13.525 3.720 ( 6.618 10.611 7.712) 14.692 4.294 ( -1.307 13.510 -5.276) 14.563 5.436 ( 1.298 0.432 -1.615) 2.117 5.802 ( 9.907 -9.544 2.932) 14.065 6.843 ( -0.020 7.084 -0.420) 7.096 7.287 ( 1.934 -1.924 -0.856) 2.859 7.719 ( 2.312 4.840 0.180) 5.367 10.118 ( -3.772 -5.869 -0.784) 7.020 10.627 ( 2.045 -0.194 -0.689) 2.167 11.177 ( -7.271 -11.770 0.165) 13.836 13.732 ( 0.579 8.464 0.050) 8.484 15.136 ( -2.450 0.618 -2.330) 3.437 15.468 ( 1.401 -4.263 2.777) 5.277 ======================= Grid point 775 (159/192) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -1.954 6.782 -1.242) 7.167 3.471 ( -7.518 4.725 -0.183) 8.881 3.882 ( -2.278 11.376 6.355) 13.228 4.360 ( -6.315 12.743 -5.632) 15.296 5.427 ( -0.814 -2.825 -0.732) 3.030 5.836 ( 7.262 -13.233 2.603) 15.318 6.881 ( -3.421 6.071 -0.429) 6.981 7.289 ( 1.489 -3.290 -0.211) 3.617 7.752 ( -3.389 3.243 1.883) 5.055 10.053 ( 1.447 -2.450 -0.603) 2.909 10.657 ( -0.673 -0.368 -0.382) 0.857 11.039 ( 4.021 -5.369 -0.396) 6.720 13.785 ( -3.562 6.655 -0.270) 7.553 15.090 ( -3.505 1.617 0.310) 3.872 15.492 ( 5.989 -4.479 -0.516) 7.496 ======================= Grid point 777 (160/192) ======================= q-point: (-0.53 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -6.664 2.057 -2.952) 7.573 3.385 ( -9.399 8.229 3.876) 13.080 3.854 ( -8.181 1.885 3.414) 9.063 4.326 ( -10.696 9.210 -7.954) 16.202 5.367 ( -2.515 -2.032 1.570) 3.594 5.789 ( 1.458 -11.358 3.422) 11.952 6.844 ( -6.235 3.698 -0.426) 7.261 7.276 ( 0.353 -2.597 0.179) 2.627 7.673 ( -8.060 2.014 1.373) 8.421 10.119 ( 7.028 0.282 -0.825) 7.082 10.611 ( -1.049 -1.359 -0.087) 1.719 11.192 ( 13.955 -0.109 -0.425) 13.962 13.740 ( -7.335 3.612 -0.298) 8.181 15.063 ( -1.938 2.958 1.488) 3.837 15.567 ( 7.353 -4.851 -2.059) 9.046 ======================= Grid point 778 (161/192) ======================= q-point: (-0.47 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -9.670 -1.287 -1.827) 9.924 3.274 ( -15.644 10.366 6.422) 19.835 3.669 ( -8.658 -6.305 -1.151) 10.772 4.159 ( -14.565 1.967 -9.457) 17.477 5.315 ( -3.806 2.959 2.423) 5.396 5.651 ( -6.834 -6.405 5.031) 10.632 6.747 ( -7.452 1.369 -0.464) 7.591 7.245 ( -1.850 -0.893 -0.152) 2.060 7.537 ( -8.986 2.304 -1.178) 9.352 10.286 ( 10.520 1.023 -1.406) 10.663 10.646 ( 6.266 0.350 0.710) 6.316 11.470 ( 16.588 0.396 -0.327) 16.596 13.615 ( -8.938 0.848 -0.090) 8.978 15.082 ( -0.385 4.388 1.303) 4.594 15.636 ( 6.506 -6.149 -1.515) 9.079 ======================= Grid point 789 (162/192) ======================= q-point: ( 0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 2.959 8.231 -1.502) 8.874 3.531 ( 5.666 -1.877 1.739) 6.217 3.831 ( 4.503 18.306 7.908) 20.443 4.411 ( 5.142 12.692 -9.849) 16.868 5.396 ( 4.049 -0.880 0.884) 4.237 5.641 ( -2.402 -2.559 2.213) 4.149 6.885 ( 3.553 6.401 -0.124) 7.322 7.250 ( -0.158 -1.163 -0.257) 1.201 7.709 ( 4.987 6.035 0.637) 7.855 10.122 ( -4.129 -7.108 -1.278) 8.319 10.602 ( 0.763 0.438 -0.081) 0.883 11.186 ( -7.966 -12.895 0.355) 15.161 13.775 ( 3.921 7.318 -0.092) 8.303 15.131 ( 3.028 -0.476 -0.581) 3.119 15.471 ( -6.233 -3.618 0.512) 7.225 ======================= Grid point 790 (163/192) ======================= q-point: ( 0.33 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 0.564 7.825 -1.036) 7.914 3.520 ( -0.650 -4.472 -0.642) 4.564 4.072 ( 0.305 14.751 13.559) 20.038 4.587 ( -1.765 15.059 -10.579) 18.488 5.423 ( -0.793 -1.449 -1.197) 2.040 5.563 ( 5.113 -12.923 1.306) 13.959 6.988 ( -0.321 7.007 0.053) 7.015 7.224 ( 0.839 -4.196 -0.003) 4.279 7.813 ( 0.694 3.890 2.214) 4.530 10.016 ( -1.071 -3.797 -1.212) 4.128 10.663 ( 2.194 3.725 -0.116) 4.324 10.955 ( -3.533 -9.922 0.424) 10.541 13.881 ( 0.189 5.542 -0.349) 5.556 15.166 ( -1.209 2.654 -0.880) 3.047 15.368 ( 0.859 -5.454 0.732) 5.569 ======================= Grid point 791 (164/192) ======================= q-point: (-0.60 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -5.888 2.655 -1.899) 6.732 3.489 ( 1.100 0.157 0.893) 1.426 4.088 ( -10.468 5.691 12.735) 17.440 4.607 ( -10.736 8.505 -11.435) 17.842 5.379 ( -0.521 -0.264 0.830) 1.015 5.583 ( 8.681 -9.653 0.338) 12.987 6.990 ( -5.807 3.743 -0.011) 6.909 7.220 ( 2.909 -2.671 0.208) 3.955 7.807 ( -4.497 1.796 2.382) 5.396 10.016 ( 3.835 -0.978 -1.216) 4.141 10.657 ( -4.672 0.297 0.087) 4.683 10.960 ( 10.731 -2.250 0.215) 10.966 13.883 ( -4.707 2.501 -0.427) 5.347 15.142 ( -3.604 3.225 0.305) 4.846 15.394 ( 6.608 -4.554 -0.562) 8.045 ======================= Grid point 805 (165/192) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( -2.663 -5.326 -0.775) 6.005 3.411 ( 2.663 5.326 -0.775) 6.005 4.223 ( -0.000 -0.000 15.880) 15.880 4.796 ( -0.000 -0.000 -12.410) 12.410 5.393 ( -0.566 -1.132 -0.211) 1.283 5.393 ( 0.566 1.132 -0.211) 1.283 7.120 ( -2.617 -5.235 0.234) 5.857 7.120 ( 2.617 5.235 0.234) 5.857 7.857 ( -0.000 -0.000 2.901) 2.901 9.976 ( -0.000 -0.000 -1.395) 1.395 10.777 ( -3.329 -6.659 0.322) 7.452 10.777 ( 3.329 6.659 0.322) 7.452 13.939 ( -0.000 -0.000 -0.568) 0.568 15.252 ( -2.587 -5.175 -0.086) 5.786 15.252 ( 2.587 5.175 -0.086) 5.786 ======================= Grid point 964 (166/192) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 -0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.673 ( -0.000 -0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 -0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 -0.000 0.000) 0.000 13.176 ( 0.000 0.000 0.000) 0.000 13.176 ( -0.000 -0.000 0.000) 0.000 13.750 ( 0.000 -0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 966 (167/192) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 3.628 2.095 2.715) 4.992 2.008 ( 8.175 4.720 -2.904) 9.876 2.604 ( -3.780 -2.182 2.421) 4.991 2.714 ( 3.530 2.038 -2.172) 4.619 3.398 ( 17.274 9.973 0.231) 19.948 4.616 ( 4.713 2.721 -0.321) 5.451 6.201 ( 1.183 0.683 -0.112) 1.371 6.277 ( 7.245 4.183 -0.006) 8.365 9.203 ( -44.086 -25.453 -0.263) 50.906 11.455 ( -4.101 -2.367 -1.189) 4.882 11.990 ( 23.828 13.757 1.898) 27.579 13.025 ( -12.778 -7.378 -2.352) 14.941 13.179 ( 0.302 0.174 1.131) 1.183 13.938 ( 16.055 9.269 -0.127) 18.539 16.265 ( -9.452 -5.457 0.758) 10.941 ======================= Grid point 968 (168/192) ======================= q-point: ( 0.13 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 5.967 3.445 4.548) 8.256 2.281 ( 14.614 8.437 -7.662) 18.532 2.549 ( -0.450 -0.260 8.237) 8.253 2.840 ( 7.143 4.124 -3.944) 9.143 3.896 ( 23.964 13.835 0.835) 27.683 4.768 ( 7.887 4.553 -2.219) 9.373 6.243 ( 2.393 1.382 -0.205) 2.771 6.501 ( 11.165 6.446 -0.574) 12.904 8.248 ( -34.511 -19.925 -1.667) 39.885 11.313 ( -7.946 -4.588 -1.760) 9.343 12.285 ( -0.414 -0.239 9.683) 9.694 12.619 ( -18.485 -10.673 -11.672) 24.328 13.193 ( 1.007 0.581 1.742) 2.094 14.414 ( 20.930 12.084 -1.645) 24.224 16.034 ( -8.570 -4.948 4.573) 10.901 ======================= Grid point 970 (169/192) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 6.644 3.836 5.205) 9.271 2.546 ( 3.741 2.160 -9.155) 10.123 2.714 ( 18.092 10.445 12.241) 24.212 3.046 ( 10.219 5.900 -4.947) 12.795 4.475 ( 24.167 13.953 2.582) 28.025 4.974 ( 9.717 5.610 -6.589) 13.012 6.313 ( 3.492 2.016 -0.276) 4.042 6.772 ( 11.345 6.550 -1.632) 13.202 7.626 ( -18.355 -10.598 -3.793) 21.532 11.088 ( -10.973 -6.335 -1.535) 12.763 11.892 ( -25.372 -14.648 4.229) 29.601 12.378 ( -6.844 -3.951 -7.311) 10.765 13.229 ( 2.058 1.188 1.683) 2.912 14.804 ( 11.386 6.574 -4.057) 13.760 15.897 ( -3.184 -1.838 9.533) 10.217 ======================= Grid point 972 (170/192) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 6.034 3.484 4.839) 8.484 2.643 ( 4.962 2.865 0.606) 5.761 3.168 ( 18.906 10.915 5.055) 22.408 3.307 ( 11.689 6.749 -4.944) 14.374 4.943 ( 13.736 7.930 3.636) 16.272 5.275 ( 17.405 10.049 -10.454) 22.654 6.404 ( 4.161 2.402 -0.338) 4.816 7.014 ( 8.892 5.134 -2.183) 10.497 7.368 ( -4.226 -2.440 -5.930) 7.680 10.809 ( -12.410 -7.165 -0.847) 14.354 11.318 ( -21.957 -12.677 0.066) 25.353 12.169 ( -11.030 -6.368 -2.663) 13.012 13.289 ( 2.979 1.720 1.219) 3.649 14.966 ( 3.434 1.983 -4.884) 6.291 15.856 ( -1.147 -0.662 11.561) 11.637 ======================= Grid point 974 (171/192) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 4.671 2.697 3.779) 6.586 2.772 ( 5.744 3.316 3.017) 7.287 3.550 ( 12.818 7.400 3.577) 15.227 3.577 ( 10.833 6.255 -4.011) 13.137 5.177 ( 8.200 4.734 -1.161) 9.540 5.727 ( 18.885 10.903 -6.651) 22.798 6.502 ( 4.042 2.334 -0.376) 4.683 7.178 ( 5.257 3.035 -0.720) 6.113 7.388 ( 4.713 2.721 -8.092) 9.752 10.522 ( -11.617 -6.707 -0.204) 13.415 10.900 ( -13.242 -7.645 -0.623) 15.303 11.870 ( -14.069 -8.123 -0.616) 16.258 13.363 ( 3.231 1.865 0.711) 3.798 15.009 ( 0.845 0.488 -4.198) 4.310 15.818 ( -2.275 -1.313 10.438) 10.763 ======================= Grid point 976 (172/192) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 2.927 1.690 2.356) 4.120 2.898 ( 4.622 2.669 3.434) 6.346 3.760 ( 5.338 3.082 1.347) 6.309 3.798 ( 7.655 4.420 -2.514) 9.190 5.358 ( 6.918 3.994 -1.592) 8.145 6.109 ( 13.010 7.511 -4.129) 15.580 6.586 ( 2.964 1.711 -0.324) 3.437 7.276 ( 3.178 1.835 0.313) 3.683 7.526 ( 5.956 3.438 -7.077) 9.868 10.283 ( -8.357 -4.825 0.099) 9.650 10.702 ( -3.764 -2.173 -0.720) 4.406 11.531 ( -14.109 -8.146 0.488) 16.299 13.433 ( 2.517 1.453 0.340) 2.927 15.024 ( 0.658 0.380 -3.005) 3.099 15.752 ( -3.005 -1.735 7.424) 8.195 ======================= Grid point 978 (173/192) ======================= q-point: ( 0.47 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.996 0.575 0.796) 1.398 2.976 ( 1.784 1.030 1.574) 2.593 3.829 ( 1.143 0.660 0.064) 1.321 3.923 ( 2.765 1.596 -0.841) 3.302 5.477 ( 2.794 1.613 -0.511) 3.267 6.319 ( 4.618 2.666 -1.500) 5.540 6.635 ( 1.090 0.630 -0.132) 1.266 7.326 ( 1.056 0.610 0.219) 1.239 7.633 ( 2.598 1.500 -2.715) 4.046 10.146 ( -3.057 -1.765 0.075) 3.530 10.691 ( 1.371 0.791 -0.532) 1.670 11.257 ( -7.572 -4.372 0.555) 8.761 13.475 ( 0.952 0.550 0.098) 1.104 15.038 ( 0.413 0.238 -1.174) 1.268 15.695 ( -1.481 -0.855 2.776) 3.260 ======================= Grid point 996 (174/192) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 3.685 6.382 0.000) 7.369 2.185 ( 7.252 12.561 0.000) 14.505 2.554 ( -0.966 -1.673 -0.000) 1.932 2.801 ( 3.746 6.488 0.000) 7.492 3.747 ( 13.088 22.669 0.000) 26.176 4.719 ( 4.121 7.138 0.000) 8.242 6.231 ( 1.292 2.237 0.000) 2.583 6.431 ( 5.988 10.372 0.000) 11.976 8.477 ( -22.213 -38.474 0.000) 44.426 11.360 ( -3.979 -6.892 0.000) 7.958 12.274 ( 5.222 9.045 0.000) 10.444 12.727 ( -12.351 -21.393 0.000) 24.702 13.183 ( 0.259 0.449 0.000) 0.519 14.287 ( 12.981 22.483 0.000) 25.961 16.090 ( -5.741 -9.944 0.000) 11.482 ======================= Grid point 998 (175/192) ======================= q-point: ( 0.13 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.547 8.797 3.260) 10.426 2.499 ( 10.189 11.864 -17.093) 23.168 2.568 ( 5.217 3.490 17.664) 18.746 2.975 ( 6.858 9.052 -2.476) 11.624 4.266 ( 19.012 21.559 0.939) 28.760 4.890 ( 6.667 7.016 -2.554) 10.010 6.291 ( 2.305 3.339 -0.131) 4.059 6.671 ( 8.872 9.698 -0.676) 13.161 7.801 ( -18.177 -21.186 -1.630) 27.963 11.178 ( -7.654 -8.615 -0.907) 11.560 12.155 ( -22.082 -16.892 7.337) 28.754 12.368 ( 0.036 -9.101 -8.888) 12.720 13.205 ( 1.588 0.985 0.980) 2.110 14.719 ( 11.121 15.735 -1.890) 19.361 15.918 ( -3.790 -5.780 4.387) 8.186 ======================= Grid point 1000 (176/192) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 3.665 10.699 4.196) 12.063 2.615 ( 2.697 5.115 -2.387) 6.256 2.950 ( 18.330 12.137 5.310) 22.617 3.219 ( 8.957 11.024 -3.559) 14.644 4.798 ( 16.423 16.902 3.835) 23.876 5.103 ( 11.122 6.759 -8.219) 15.393 6.378 ( 2.958 4.330 -0.220) 5.249 6.918 ( 8.743 7.421 -1.631) 11.583 7.427 ( -7.690 -7.857 -3.782) 11.626 10.925 ( -10.152 -9.566 -0.839) 13.974 11.561 ( -22.227 -17.730 0.810) 28.443 12.232 ( -5.576 -9.495 -3.038) 11.422 13.260 ( 2.707 2.323 1.113) 3.736 14.961 ( 3.107 7.868 -4.126) 9.412 15.841 ( -0.179 -3.624 8.859) 9.574 ======================= Grid point 1002 (177/192) ======================= q-point: ( 0.27 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 1.524 12.583 3.278) 13.092 2.731 ( 3.797 5.970 1.587) 7.251 3.369 ( 15.864 8.455 3.167) 18.254 3.502 ( 9.249 12.141 -2.590) 15.481 5.105 ( 6.610 7.735 0.641) 10.195 5.483 ( 19.898 9.692 -7.391) 23.334 6.479 ( 3.001 4.897 -0.289) 5.751 7.114 ( 6.312 4.594 -1.271) 7.910 7.348 ( 1.859 0.785 -6.213) 6.533 10.642 ( -10.705 -9.053 -0.375) 14.025 11.062 ( -16.231 -12.295 -0.430) 20.367 11.986 ( -10.116 -11.047 -1.118) 15.020 13.343 ( 2.856 3.914 0.829) 4.916 15.028 ( -0.854 3.451 -4.514) 5.746 15.809 ( 0.144 -3.802 10.025) 10.723 ======================= Grid point 1004 (178/192) ======================= q-point: ( 0.33 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -1.806 14.202 1.659) 14.412 2.860 ( 3.975 5.326 3.499) 7.511 3.657 ( 9.575 4.127 1.406) 10.521 3.763 ( 6.268 10.715 -1.251) 12.477 5.279 ( 6.523 4.924 -1.943) 8.401 5.901 ( 17.403 5.649 -4.623) 18.872 6.576 ( 2.185 4.862 -0.307) 5.340 7.238 ( 3.853 2.762 0.138) 4.743 7.457 ( 6.021 4.089 -7.375) 10.361 10.381 ( -9.210 -6.991 0.005) 11.563 10.758 ( -7.363 -6.238 -0.633) 9.671 11.668 ( -12.437 -11.274 0.113) 16.787 13.432 ( 1.826 5.042 0.497) 5.386 15.033 ( -0.854 1.590 -3.714) 4.130 15.758 ( -1.114 -4.340 8.458) 9.572 ======================= Grid point 1006 (179/192) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -5.142 14.551 0.539) 15.442 2.966 ( 2.224 4.004 2.936) 5.440 3.796 ( 3.650 1.064 0.701) 3.866 3.931 ( 2.003 8.009 -1.179) 8.340 5.424 ( 5.092 2.280 -1.210) 5.709 6.186 ( 11.360 -0.237 -2.534) 11.641 6.647 ( 0.488 4.199 -0.215) 4.233 7.310 ( 1.958 1.323 0.340) 2.388 7.597 ( 4.361 3.709 -4.723) 7.422 10.191 ( -5.362 -4.141 0.105) 6.776 10.668 ( 0.619 -1.223 -0.717) 1.547 11.351 ( -10.457 -9.174 0.698) 13.929 13.501 ( -0.163 5.214 0.232) 5.222 15.038 ( -0.024 0.825 -2.266) 2.412 15.693 ( -0.994 -3.920 4.999) 6.430 ======================= Grid point 1008 (180/192) ======================= q-point: ( 0.47 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -7.881 13.650 -0.000) 15.761 3.007 ( -1.205 2.087 0.000) 2.410 3.829 ( 0.290 -0.503 0.000) 0.581 3.991 ( -2.829 4.901 0.000) 5.659 5.484 ( 0.560 -0.970 -0.000) 1.120 6.286 ( 3.360 -5.819 0.000) 6.719 6.674 ( -1.749 3.030 0.000) 3.499 7.334 ( -0.017 0.029 0.000) 0.034 7.658 ( -0.629 1.089 0.000) 1.257 10.121 ( 0.409 -0.708 0.000) 0.817 10.689 ( 0.632 -1.094 0.000) 1.263 11.189 ( 1.176 -2.037 0.000) 2.352 13.527 ( -2.510 4.347 0.000) 5.020 15.044 ( -0.180 0.312 0.000) 0.360 15.661 ( 1.381 -2.392 0.000) 2.762 ======================= Grid point 1030 (181/192) ======================= q-point: ( 0.13 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 6.220 10.773 0.000) 12.440 2.635 ( 3.483 6.033 0.000) 6.967 2.825 ( 9.855 17.069 -0.000) 19.709 3.200 ( 7.385 12.791 0.000) 14.769 4.734 ( 13.543 23.457 -0.000) 27.086 5.037 ( 4.193 7.262 0.000) 8.386 6.376 ( 2.815 4.876 0.000) 5.631 6.875 ( 5.747 9.954 0.000) 11.493 7.458 ( -6.733 -11.661 0.000) 13.465 10.967 ( -6.872 -11.903 0.000) 13.745 11.684 ( -14.751 -25.549 0.000) 29.501 12.217 ( -4.662 -8.074 0.000) 9.323 13.246 ( 1.846 3.198 0.000) 3.693 14.983 ( 5.316 9.208 0.000) 10.632 15.817 ( -2.259 -3.913 0.000) 4.518 ======================= Grid point 1032 (182/192) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 4.838 11.376 1.583) 12.463 2.785 ( 2.085 12.793 -0.729) 12.982 3.188 ( 14.170 10.875 2.384) 18.020 3.484 ( 8.635 14.603 -1.050) 16.998 5.119 ( 3.268 12.784 3.470) 13.644 5.253 ( 16.217 9.192 -6.220) 19.651 6.484 ( 3.031 5.993 -0.092) 6.717 7.061 ( 5.581 6.487 -0.677) 8.584 7.335 ( -0.262 -0.891 -2.301) 2.482 10.708 ( -8.498 -11.412 -0.197) 14.230 11.193 ( -14.814 -17.768 -0.130) 23.134 12.014 ( -6.966 -11.758 -0.611) 13.680 13.335 ( 3.240 5.047 0.417) 6.012 15.089 ( -0.406 4.179 -2.566) 4.921 15.758 ( -0.106 -4.292 4.771) 6.418 ======================= Grid point 1034 (183/192) ======================= q-point: ( 0.27 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 4.375 9.950 1.103) 10.925 2.947 ( -2.119 18.314 0.408) 18.441 3.511 ( 12.365 5.499 2.917) 13.843 3.777 ( 7.024 14.277 -0.504) 15.920 5.249 ( 2.944 6.268 -1.481) 7.082 5.645 ( 16.954 5.835 -3.370) 18.244 6.598 ( 2.350 6.657 -0.132) 7.061 7.197 ( 4.140 3.394 -0.104) 5.354 7.405 ( 4.833 4.896 -4.686) 8.324 10.453 ( -8.139 -9.228 -0.058) 12.305 10.828 ( -9.710 -10.416 -0.395) 14.245 11.738 ( -9.700 -13.014 -0.098) 16.231 13.453 ( 2.997 6.849 0.459) 7.490 15.087 ( -2.532 2.085 -3.539) 4.825 15.711 ( 0.176 -5.523 6.602) 8.609 ======================= Grid point 1036 (184/192) ======================= q-point: ( 0.33 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 3.027 7.740 0.726) 8.342 3.072 ( -6.481 20.818 0.425) 21.808 3.724 ( 6.852 2.865 2.860) 7.958 3.998 ( 2.612 12.069 -0.410) 12.355 5.363 ( 4.279 3.110 -2.131) 5.703 5.942 ( 14.046 -1.773 -2.266) 14.337 6.695 ( 0.714 6.649 -0.109) 6.688 7.280 ( 2.799 1.122 0.146) 3.019 7.561 ( 5.249 6.273 -4.472) 9.322 10.242 ( -6.313 -6.674 0.067) 9.187 10.653 ( -1.942 -3.736 -0.603) 4.253 11.427 ( -10.315 -12.158 0.512) 15.952 13.566 ( 0.940 7.859 0.358) 7.923 15.064 ( -1.691 1.407 -3.037) 3.750 15.651 ( -0.124 -6.003 5.538) 8.168 ======================= Grid point 1038 (185/192) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -0.187 5.255 0.398) 5.273 3.138 ( -10.003 20.621 0.003) 22.919 3.817 ( 1.361 1.772 1.274) 2.572 4.112 ( -2.168 9.386 -0.290) 9.637 5.444 ( 2.777 -0.298 -0.831) 2.913 6.097 ( 9.243 -8.347 -0.860) 12.484 6.751 ( -1.685 5.842 -0.042) 6.080 7.320 ( 1.412 -0.532 0.041) 1.510 7.681 ( 1.249 4.500 -1.757) 4.989 10.113 ( -1.850 -3.593 0.043) 4.042 10.653 ( 2.289 -0.297 -0.495) 2.360 11.173 ( -4.820 -8.014 0.516) 9.366 13.635 ( -2.248 7.486 0.144) 7.818 15.057 ( -0.734 1.170 -1.278) 1.882 15.599 ( 1.217 -5.180 2.225) 5.768 ======================= Grid point 1062 (186/192) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 4.971 8.611 0.000) 9.943 3.115 ( 10.032 17.376 -0.000) 20.064 3.388 ( 5.230 9.059 0.000) 10.461 3.790 ( 8.536 14.785 0.000) 17.073 5.278 ( 2.734 4.736 0.000) 5.469 5.495 ( 7.155 12.392 0.000) 14.309 6.614 ( 3.774 6.536 0.000) 7.548 7.175 ( 2.610 4.521 0.000) 5.220 7.388 ( 3.315 5.742 0.000) 6.630 10.478 ( -6.272 -10.863 0.000) 12.543 10.865 ( -7.982 -13.825 0.000) 15.964 11.755 ( -7.879 -13.647 0.000) 15.758 13.462 ( 4.140 7.171 0.000) 8.281 15.129 ( 0.053 0.092 0.000) 0.106 15.673 ( -2.308 -3.997 0.000) 4.616 ======================= Grid point 1064 (187/192) ======================= q-point: ( 0.27 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 4.208 7.969 0.795) 9.047 3.388 ( -3.459 21.084 -4.644) 21.865 3.603 ( 12.026 5.319 5.579) 14.284 4.060 ( 5.473 13.066 0.185) 14.167 5.354 ( 1.178 3.872 -1.603) 4.353 5.708 ( 9.326 0.273 -0.664) 9.354 6.742 ( 2.500 7.270 0.015) 7.687 7.245 ( 2.104 1.194 -0.078) 2.420 7.543 ( 5.243 8.243 -1.770) 9.928 10.272 ( -5.814 -8.598 0.017) 10.380 10.656 ( -3.683 -5.899 -0.238) 6.958 11.465 ( -8.954 -13.694 0.181) 16.363 13.612 ( 3.454 8.357 0.200) 9.044 15.113 ( -1.741 0.708 -1.830) 2.624 15.593 ( -1.062 -5.926 2.818) 6.647 ======================= Grid point 1066 (188/192) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 1.707 7.326 1.214) 7.620 3.462 ( -5.224 11.315 -3.957) 13.076 3.853 ( 2.840 14.277 4.451) 15.222 4.236 ( 0.493 10.799 0.319) 10.815 5.402 ( 1.586 0.688 -1.935) 2.594 5.827 ( 9.537 -9.384 -0.390) 13.385 6.840 ( -0.185 7.408 0.064) 7.410 7.277 ( 1.896 -1.450 -0.166) 2.393 7.704 ( 3.076 7.258 -1.543) 8.033 10.110 ( -3.392 -6.121 0.028) 6.998 10.615 ( 1.613 0.133 -0.458) 1.682 11.183 ( -7.397 -11.618 0.475) 13.781 13.735 ( 0.473 8.222 0.214) 8.239 15.096 ( -1.583 1.909 -1.908) 3.129 15.520 ( 0.432 -6.712 2.702) 7.248 ======================= Grid point 1068 (189/192) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -3.123 5.409 0.000) 6.246 3.468 ( -4.582 7.936 0.000) 9.163 3.955 ( -8.219 14.235 0.000) 16.437 4.295 ( -4.689 8.121 0.000) 9.377 5.420 ( 1.007 -1.744 -0.000) 2.014 5.862 ( 8.114 -14.053 0.000) 16.228 6.877 ( -3.622 6.273 0.000) 7.244 7.286 ( 1.580 -2.736 0.000) 3.159 7.772 ( -2.368 4.102 0.000) 4.736 10.046 ( 1.648 -2.854 0.000) 3.295 10.654 ( -0.169 0.293 0.000) 0.338 11.035 ( 3.080 -5.334 0.000) 6.159 13.783 ( -3.740 6.478 0.000) 7.480 15.093 ( -1.420 2.460 0.000) 2.841 15.487 ( 3.297 -5.711 0.000) 6.594 ======================= Grid point 1096 (190/192) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 4.270 7.395 0.000) 8.540 3.547 ( -0.384 -0.665 0.000) 0.768 3.934 ( 12.342 21.376 0.000) 24.683 4.290 ( 5.263 9.116 0.000) 10.527 5.404 ( 0.606 1.049 0.000) 1.211 5.663 ( -2.408 -4.170 -0.000) 4.816 6.885 ( 3.740 6.478 0.000) 7.480 7.247 ( -0.454 -0.786 0.000) 0.908 7.715 ( 4.539 7.862 0.000) 9.078 10.109 ( -4.069 -7.048 0.000) 8.138 10.602 ( 0.307 0.531 0.000) 0.614 11.190 ( -7.506 -13.000 0.000) 15.012 13.774 ( 4.064 7.039 0.000) 8.128 15.127 ( 0.537 0.930 0.000) 1.074 15.475 ( -3.199 -5.541 0.000) 6.399 ======================= Grid point 1098 (191/192) ======================= q-point: ( 0.33 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 0.631 7.383 0.446) 7.423 3.506 ( -0.761 -3.147 -0.835) 3.344 4.280 ( -1.035 22.343 0.374) 22.370 4.418 ( -0.072 6.652 0.640) 6.683 5.399 ( -0.861 -0.628 -1.238) 1.633 5.581 ( 4.837 -13.654 0.572) 14.496 6.989 ( -0.423 7.121 0.056) 7.134 7.223 ( 0.892 -3.869 -0.084) 3.971 7.834 ( 0.904 4.917 -0.206) 5.004 10.004 ( -0.963 -3.965 0.002) 4.080 10.660 ( 2.155 4.167 -0.166) 4.694 10.961 ( -3.659 -10.059 0.173) 10.705 13.878 ( 0.155 5.281 0.047) 5.284 15.152 ( -0.852 3.769 -0.614) 3.912 15.382 ( 0.482 -6.798 0.707) 6.852 ======================= Grid point 1128 (192/192) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( -2.840 -5.679 0.000) 6.350 3.403 ( 2.840 5.679 0.000) 6.350 4.489 ( -0.000 -0.000 0.000) 0.000 4.564 ( 0.000 -0.000 -0.000) 0.000 5.391 ( -0.296 -0.593 0.000) 0.663 5.391 ( 0.296 0.593 0.000) 0.663 7.123 ( -2.621 -5.243 0.000) 5.862 7.123 ( 2.621 5.243 0.000) 5.862 7.886 ( -0.000 -0.000 0.000) 0.000 9.962 ( -0.000 -0.000 0.000) 0.000 10.780 ( -3.373 -6.747 0.000) 7.543 10.780 ( 3.373 6.747 0.000) 7.543 13.934 ( -0.000 -0.000 0.000) 0.000 15.251 ( -2.616 -5.231 0.000) 5.849 15.251 ( 2.616 5.231 0.000) 5.849 =================== 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 3/27000 10.0 7692.398 7692.398 10820.690 -0.000 0.000 -0.000 3/27000 20.0 2022.441 2022.441 1898.424 -0.000 0.000 -0.000 3/27000 30.0 803.131 803.131 647.780 -0.000 0.000 -0.000 3/27000 40.0 420.792 420.792 311.692 -0.000 0.000 -0.000 3/27000 50.0 262.981 262.981 182.239 -0.000 0.000 -0.000 3/27000 60.0 184.066 184.066 121.627 -0.000 0.000 -0.000 3/27000 70.0 138.683 138.683 88.805 -0.000 0.000 -0.000 3/27000 80.0 109.784 109.784 68.925 -0.000 0.000 -0.000 3/27000 90.0 90.004 90.004 55.837 -0.000 0.000 -0.000 3/27000 100.0 75.752 75.752 46.672 -0.000 0.000 -0.000 3/27000 110.0 65.088 65.088 39.952 -0.000 0.000 -0.000 3/27000 120.0 56.872 56.872 34.846 -0.000 0.000 -0.000 3/27000 130.0 50.390 50.390 30.854 -0.000 0.000 -0.000 3/27000 140.0 45.173 45.173 27.659 -0.000 0.000 -0.000 3/27000 150.0 40.901 40.901 25.053 -0.000 0.000 -0.000 3/27000 160.0 37.350 37.350 22.891 -0.000 0.000 -0.000 3/27000 170.0 34.359 34.359 21.072 -0.000 0.000 -0.000 3/27000 180.0 31.809 31.809 19.521 -0.000 0.000 -0.000 3/27000 190.0 29.613 29.613 18.186 -0.000 0.000 -0.000 3/27000 200.0 27.703 27.703 17.024 -0.000 0.000 -0.000 3/27000 210.0 26.028 26.028 16.004 -0.000 0.000 -0.000 3/27000 220.0 24.548 24.548 15.102 -0.000 0.000 -0.000 3/27000 230.0 23.230 23.230 14.298 -0.000 0.000 -0.000 3/27000 240.0 22.051 22.051 13.578 -0.000 0.000 -0.000 3/27000 250.0 20.988 20.988 12.930 -0.000 0.000 -0.000 3/27000 260.0 20.026 20.026 12.342 -0.000 0.000 -0.000 3/27000 270.0 19.151 19.151 11.806 -0.000 0.000 -0.000 3/27000 280.0 18.352 18.352 11.317 -0.000 0.000 -0.000 3/27000 290.0 17.619 17.619 10.868 -0.000 0.000 -0.000 3/27000 300.0 16.944 16.944 10.454 -0.000 0.000 -0.000 3/27000 310.0 16.320 16.320 10.072 -0.000 0.000 -0.000 3/27000 320.0 15.742 15.742 9.717 -0.000 0.000 -0.000 3/27000 330.0 15.205 15.205 9.388 -0.000 0.000 -0.000 3/27000 340.0 14.705 14.705 9.080 -0.000 0.000 -0.000 3/27000 350.0 14.237 14.237 8.793 -0.000 0.000 -0.000 3/27000 360.0 13.799 13.799 8.524 -0.000 0.000 -0.000 3/27000 370.0 13.388 13.388 8.271 -0.000 0.000 -0.000 3/27000 380.0 13.002 13.002 8.034 -0.000 0.000 -0.000 3/27000 390.0 12.638 12.638 7.810 -0.000 0.000 -0.000 3/27000 400.0 12.294 12.294 7.598 -0.000 0.000 -0.000 3/27000 410.0 11.969 11.969 7.398 -0.000 0.000 -0.000 3/27000 420.0 11.661 11.661 7.208 -0.000 0.000 -0.000 3/27000 430.0 11.370 11.370 7.029 -0.000 0.000 -0.000 3/27000 440.0 11.092 11.092 6.858 -0.000 0.000 -0.000 3/27000 450.0 10.828 10.828 6.695 -0.000 0.000 -0.000 3/27000 460.0 10.577 10.577 6.540 -0.000 0.000 -0.000 3/27000 470.0 10.338 10.338 6.393 -0.000 0.000 -0.000 3/27000 480.0 10.109 10.109 6.252 -0.000 0.000 -0.000 3/27000 490.0 9.891 9.891 6.117 -0.000 0.000 -0.000 3/27000 500.0 9.681 9.681 5.988 -0.000 0.000 -0.000 3/27000 510.0 9.481 9.481 5.864 -0.000 0.000 -0.000 3/27000 520.0 9.289 9.289 5.746 -0.000 0.000 -0.000 3/27000 530.0 9.105 9.105 5.632 -0.000 0.000 -0.000 3/27000 540.0 8.928 8.928 5.523 -0.000 0.000 -0.000 3/27000 550.0 8.758 8.758 5.418 -0.000 0.000 -0.000 3/27000 560.0 8.595 8.595 5.317 -0.000 0.000 -0.000 3/27000 570.0 8.437 8.437 5.220 -0.000 0.000 -0.000 3/27000 580.0 8.286 8.286 5.126 -0.000 0.000 -0.000 3/27000 590.0 8.139 8.139 5.036 -0.000 0.000 -0.000 3/27000 600.0 7.998 7.998 4.949 -0.000 0.000 -0.000 3/27000 610.0 7.862 7.862 4.865 -0.000 0.000 -0.000 3/27000 620.0 7.731 7.731 4.784 -0.000 0.000 -0.000 3/27000 630.0 7.604 7.604 4.705 -0.000 0.000 -0.000 3/27000 640.0 7.481 7.481 4.629 -0.000 0.000 -0.000 3/27000 650.0 7.362 7.362 4.556 -0.000 0.000 -0.000 3/27000 660.0 7.246 7.246 4.485 -0.000 0.000 -0.000 3/27000 670.0 7.135 7.135 4.416 -0.000 0.000 -0.000 3/27000 680.0 7.027 7.027 4.349 -0.000 0.000 -0.000 3/27000 690.0 6.922 6.922 4.284 -0.000 0.000 -0.000 3/27000 700.0 6.820 6.820 4.221 -0.000 0.000 -0.000 3/27000 710.0 6.721 6.721 4.160 -0.000 0.000 -0.000 3/27000 720.0 6.625 6.625 4.101 -0.000 0.000 -0.000 3/27000 730.0 6.532 6.532 4.043 -0.000 0.000 -0.000 3/27000 740.0 6.442 6.442 3.987 -0.000 0.000 -0.000 3/27000 750.0 6.354 6.354 3.933 -0.000 0.000 -0.000 3/27000 760.0 6.268 6.268 3.880 -0.000 0.000 -0.000 3/27000 770.0 6.185 6.185 3.828 -0.000 0.000 -0.000 3/27000 780.0 6.103 6.103 3.778 -0.000 0.000 -0.000 3/27000 790.0 6.024 6.024 3.729 -0.000 0.000 -0.000 3/27000 800.0 5.947 5.947 3.682 -0.000 0.000 -0.000 3/27000 810.0 5.872 5.872 3.635 -0.000 0.000 -0.000 3/27000 820.0 5.799 5.799 3.590 -0.000 0.000 -0.000 3/27000 830.0 5.728 5.728 3.546 -0.000 0.000 -0.000 3/27000 840.0 5.658 5.658 3.503 -0.000 0.000 -0.000 3/27000 850.0 5.591 5.591 3.461 -0.000 0.000 -0.000 3/27000 860.0 5.524 5.524 3.420 -0.000 0.000 -0.000 3/27000 870.0 5.460 5.460 3.380 -0.000 0.000 -0.000 3/27000 880.0 5.396 5.396 3.341 -0.000 0.000 -0.000 3/27000 890.0 5.335 5.335 3.303 -0.000 0.000 -0.000 3/27000 900.0 5.274 5.274 3.265 -0.000 0.000 -0.000 3/27000 910.0 5.215 5.215 3.229 -0.000 0.000 -0.000 3/27000 920.0 5.158 5.158 3.193 -0.000 0.000 -0.000 3/27000 930.0 5.101 5.101 3.158 -0.000 0.000 -0.000 3/27000 940.0 5.046 5.046 3.124 -0.000 0.000 -0.000 3/27000 950.0 4.992 4.992 3.091 -0.000 0.000 -0.000 3/27000 960.0 4.940 4.940 3.058 -0.000 0.000 -0.000 3/27000 970.0 4.888 4.888 3.026 -0.000 0.000 -0.000 3/27000 980.0 4.837 4.837 2.995 -0.000 0.000 -0.000 3/27000 990.0 4.788 4.788 2.964 -0.000 0.000 -0.000 3/27000 1000.0 4.739 4.739 2.934 -0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m15158.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:09:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|