# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/41de2a61-e3c2-40dc-b8fe-b08cb54a0c0a/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Ho2SO2 / P-3m1 (164) / materials id 12670](https://mdr.nims.go.jp/datasets/b3c6ba05-4537-43fa-bbc4-55e5a1c2416a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 00:09:19]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: 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 3.737621188636107 0.000000000000000 0.000000000000000 b -1.868810594318054 3.236874899081858 0.000000000000000 c 0.000000000000000 0.000000000000000 6.494736830000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.37046021301804 15.999 2 O 0.33333333333333 0.66666666666667 0.62953978698196 15.999 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *4 Ho 0.66666666666667 0.33333333333333 0.71761800591565 164.930 5 Ho 0.33333333333333 0.66666666666667 0.28238199408435 164.930-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.737621188636107 0.000000000000000 0.000000000000000 b -1.868810594318054 3.236874899081858 0.000000000000000 c 0.000000000000000 0.000000000000000 6.494736830000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.37046021301804 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.62953978698196 15.999 > 2 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 *4 Ho 0.66666666666667 0.33333333333333 0.71761800591565 164.930 > 4 5 Ho 0.33333333333333 0.66666666666667 0.28238199408435 164.930 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 11.212863565908322 0.000000000000000 0.000000000000000 b -5.606431782954162 9.710624697245574 0.000000000000000 c 0.000000000000000 0.000000000000000 12.989473660000000Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.18523010650902 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.18523010650902 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.18523010650902 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.18523010650902 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.18523010650902 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.18523010650902 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.18523010650902 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.18523010650902 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.18523010650902 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.68523010650902 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.68523010650902 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.68523010650902 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.68523010650902 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.68523010650902 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.68523010650902 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.68523010650902 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.68523010650902 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.68523010650902 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.31476989349098 15.999 > 2 20 O 0.44444444444444 0.22222222222222 0.31476989349098 15.999 > 2 21 O 0.77777777777778 0.22222222222222 0.31476989349098 15.999 > 2 22 O 0.11111111111111 0.55555555555556 0.31476989349098 15.999 > 2 23 O 0.44444444444444 0.55555555555556 0.31476989349098 15.999 > 2 24 O 0.77777777777778 0.55555555555556 0.31476989349098 15.999 > 2 25 O 0.11111111111111 0.88888888888889 0.31476989349098 15.999 > 2 26 O 0.44444444444444 0.88888888888889 0.31476989349098 15.999 > 2 27 O 0.77777777777778 0.88888888888889 0.31476989349098 15.999 > 2 28 O 0.11111111111111 0.22222222222222 0.81476989349098 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.81476989349098 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.81476989349098 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.81476989349098 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.81476989349098 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.81476989349098 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.81476989349098 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.81476989349098 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.81476989349098 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 Ho 0.22222222222222 0.11111111111111 0.35880900295782 164.930 > 4 56 Ho 0.55555555555556 0.11111111111111 0.35880900295782 164.930 > 4 57 Ho 0.88888888888889 0.11111111111111 0.35880900295782 164.930 > 4 58 Ho 0.22222222222222 0.44444444444444 0.35880900295782 164.930 > 4 59 Ho 0.55555555555556 0.44444444444444 0.35880900295782 164.930 > 4 60 Ho 0.88888888888889 0.44444444444444 0.35880900295782 164.930 > 4 61 Ho 0.22222222222222 0.77777777777778 0.35880900295782 164.930 > 4 62 Ho 0.55555555555556 0.77777777777778 0.35880900295782 164.930 > 4 63 Ho 0.88888888888889 0.77777777777778 0.35880900295782 164.930 > 4 64 Ho 0.22222222222222 0.11111111111111 0.85880900295782 164.930 > 4 65 Ho 0.55555555555556 0.11111111111111 0.85880900295782 164.930 > 4 66 Ho 0.88888888888889 0.11111111111111 0.85880900295782 164.930 > 4 67 Ho 0.22222222222222 0.44444444444444 0.85880900295782 164.930 > 4 68 Ho 0.55555555555556 0.44444444444444 0.85880900295782 164.930 > 4 69 Ho 0.88888888888889 0.44444444444444 0.85880900295782 164.930 > 4 70 Ho 0.22222222222222 0.77777777777778 0.85880900295782 164.930 > 4 71 Ho 0.55555555555556 0.77777777777778 0.85880900295782 164.930 > 4 72 Ho 0.88888888888889 0.77777777777778 0.85880900295782 164.930 > 4 73 Ho 0.11111111111111 0.22222222222222 0.14119099704218 164.930 > 5 74 Ho 0.44444444444444 0.22222222222222 0.14119099704218 164.930 > 5 75 Ho 0.77777777777778 0.22222222222222 0.14119099704218 164.930 > 5 76 Ho 0.11111111111111 0.55555555555556 0.14119099704218 164.930 > 5 77 Ho 0.44444444444444 0.55555555555556 0.14119099704218 164.930 > 5 78 Ho 0.77777777777778 0.55555555555556 0.14119099704218 164.930 > 5 79 Ho 0.11111111111111 0.88888888888889 0.14119099704218 164.930 > 5 80 Ho 0.44444444444444 0.88888888888889 0.14119099704218 164.930 > 5 81 Ho 0.77777777777778 0.88888888888889 0.14119099704218 164.930 > 5 82 Ho 0.11111111111111 0.22222222222222 0.64119099704218 164.930 > 5 83 Ho 0.44444444444444 0.22222222222222 0.64119099704218 164.930 > 5 84 Ho 0.77777777777778 0.22222222222222 0.64119099704218 164.930 > 5 85 Ho 0.11111111111111 0.55555555555556 0.64119099704218 164.930 > 5 86 Ho 0.44444444444444 0.55555555555556 0.64119099704218 164.930 > 5 87 Ho 0.77777777777778 0.55555555555556 0.64119099704218 164.930 > 5 88 Ho 0.11111111111111 0.88888888888889 0.64119099704218 164.930 > 5 89 Ho 0.44444444444444 0.88888888888889 0.64119099704218 164.930 > 5 90 Ho 0.77777777777778 0.88888888888889 0.64119099704218 164.930 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.3100111 -0.0000000 0.0000000 0.0000000 5.3100111 0.0000000 0.0000000 0.0000000 5.1822187-------------------------- Born effective charges -------------------------- 1 O -2.6452225 0.0000000 0.0000000 -0.0000000 -2.6452225 0.0000000 0.0000000 0.0000000 -2.7265793 2 O -2.6452225 0.0000000 0.0000000 -0.0000000 -2.6452225 0.0000000 0.0000000 0.0000000 -2.7265793 3 S -2.1761716 0.0000000 0.0000000 -0.0000000 -2.1761716 0.0000000 0.0000000 0.0000000 -2.2509597 4 Ho 3.7333083 -0.0000000 0.0000000 0.0000000 3.7333083 0.0000000 0.0000000 0.0000000 3.8520592 5 Ho 3.7333083 -0.0000000 0.0000000 0.0000000 3.7333083 0.0000000 0.0000000 0.0000000 3.8520592----------------------------------------------------------------------------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: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use 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 / 90Time (Solver_compr_matrix_reshape): 0.004Solver_block: 80 / 80 - Time: 0.074Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.079--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 00:09:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:09:21]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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 3.737621188636107 0.000000000000000 0.000000000000000 b -1.868810594318054 3.236874899081858 0.000000000000000 c 0.000000000000000 0.000000000000000 6.494736830000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.37046021301804 15.999 2 O 0.33333333333333 0.66666666666667 0.62953978698196 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Ho 0.66666666666667 0.33333333333333 0.71761800591565 164.930 5 Ho 0.33333333333333 0.66666666666667 0.28238199408435 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 11.212863565908322 0.000000000000000 0.000000000000000 b -5.606431782954162 9.710624697245574 0.000000000000000 c 0.000000000000000 0.000000000000000 12.989473660000000Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.18523010650902 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.18523010650902 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.18523010650902 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.18523010650902 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.18523010650902 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.18523010650902 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.18523010650902 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.18523010650902 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.18523010650902 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.68523010650902 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.68523010650902 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.68523010650902 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.68523010650902 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.68523010650902 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.68523010650902 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.68523010650902 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.68523010650902 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.68523010650902 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.31476989349098 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.31476989349098 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.31476989349098 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.31476989349098 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.31476989349098 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.31476989349098 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.31476989349098 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.31476989349098 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.31476989349098 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.81476989349098 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.81476989349098 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.81476989349098 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.81476989349098 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.81476989349098 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.81476989349098 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.81476989349098 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.81476989349098 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.81476989349098 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 Ho 0.22222222222222 0.11111111111111 0.35880900295782 164.930 > 55 56 Ho 0.55555555555556 0.11111111111111 0.35880900295782 164.930 > 55 57 Ho 0.88888888888889 0.11111111111111 0.35880900295782 164.930 > 55 58 Ho 0.22222222222222 0.44444444444444 0.35880900295782 164.930 > 55 59 Ho 0.55555555555556 0.44444444444444 0.35880900295782 164.930 > 55 60 Ho 0.88888888888889 0.44444444444444 0.35880900295782 164.930 > 55 61 Ho 0.22222222222222 0.77777777777778 0.35880900295782 164.930 > 55 62 Ho 0.55555555555556 0.77777777777778 0.35880900295782 164.930 > 55 63 Ho 0.88888888888889 0.77777777777778 0.35880900295782 164.930 > 55 64 Ho 0.22222222222222 0.11111111111111 0.85880900295782 164.930 > 55 65 Ho 0.55555555555556 0.11111111111111 0.85880900295782 164.930 > 55 66 Ho 0.88888888888889 0.11111111111111 0.85880900295782 164.930 > 55 67 Ho 0.22222222222222 0.44444444444444 0.85880900295782 164.930 > 55 68 Ho 0.55555555555556 0.44444444444444 0.85880900295782 164.930 > 55 69 Ho 0.88888888888889 0.44444444444444 0.85880900295782 164.930 > 55 70 Ho 0.22222222222222 0.77777777777778 0.85880900295782 164.930 > 55 71 Ho 0.55555555555556 0.77777777777778 0.85880900295782 164.930 > 55 72 Ho 0.88888888888889 0.77777777777778 0.85880900295782 164.930 > 55 73 Ho 0.11111111111111 0.22222222222222 0.14119099704218 164.930 > 73 74 Ho 0.44444444444444 0.22222222222222 0.14119099704218 164.930 > 73 75 Ho 0.77777777777778 0.22222222222222 0.14119099704218 164.930 > 73 76 Ho 0.11111111111111 0.55555555555556 0.14119099704218 164.930 > 73 77 Ho 0.44444444444444 0.55555555555556 0.14119099704218 164.930 > 73 78 Ho 0.77777777777778 0.55555555555556 0.14119099704218 164.930 > 73 79 Ho 0.11111111111111 0.88888888888889 0.14119099704218 164.930 > 73 80 Ho 0.44444444444444 0.88888888888889 0.14119099704218 164.930 > 73 81 Ho 0.77777777777778 0.88888888888889 0.14119099704218 164.930 > 73 82 Ho 0.11111111111111 0.22222222222222 0.64119099704218 164.930 > 73 83 Ho 0.44444444444444 0.22222222222222 0.64119099704218 164.930 > 73 84 Ho 0.77777777777778 0.22222222222222 0.64119099704218 164.930 > 73 85 Ho 0.11111111111111 0.55555555555556 0.64119099704218 164.930 > 73 86 Ho 0.44444444444444 0.55555555555556 0.64119099704218 164.930 > 73 87 Ho 0.77777777777778 0.55555555555556 0.64119099704218 164.930 > 73 88 Ho 0.11111111111111 0.88888888888889 0.64119099704218 164.930 > 73 89 Ho 0.44444444444444 0.88888888888889 0.64119099704218 164.930 > 73 90 Ho 0.77777777777778 0.88888888888889 0.64119099704218 164.930 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.3100111 -0.0000000 0.0000000 0.0000000 5.3100111 0.0000000 0.0000000 0.0000000 5.1822187-------------------------- Born effective charges -------------------------- 1 O -2.6452225 0.0000000 0.0000000 -0.0000000 -2.6452225 0.0000000 0.0000000 0.0000000 -2.7265793 2 O -2.6452225 0.0000000 0.0000000 -0.0000000 -2.6452225 0.0000000 0.0000000 0.0000000 -2.7265793 3 S -2.1761716 0.0000000 0.0000000 -0.0000000 -2.1761716 0.0000000 0.0000000 0.0000000 -2.2509597 4 Ho 3.7333083 -0.0000000 0.0000000 0.0000000 3.7333083 0.0000000 0.0000000 0.0000000 3.8520592 5 Ho 3.7333083 -0.0000000 0.0000000 0.0000000 3.7333083 0.0000000 0.0000000 0.0000000 3.8520592----------------------------------------------------------------------------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: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz)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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 00:09:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:09:25]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal 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 3.737621188636107 0.000000000000000 0.000000000000000 b -1.868810594318054 3.236874899081858 0.000000000000000 c 0.000000000000000 0.000000000000000 6.494736830000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.37046021301804 15.999 2 O 0.33333333333333 0.66666666666667 0.62953978698196 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Ho 0.66666666666667 0.33333333333333 0.71761800591565 164.930 5 Ho 0.33333333333333 0.66666666666667 0.28238199408435 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 11.212863565908322 0.000000000000000 0.000000000000000 b -5.606431782954162 9.710624697245574 0.000000000000000 c 0.000000000000000 0.000000000000000 12.989473660000000Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.18523010650902 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.18523010650902 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.18523010650902 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.18523010650902 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.18523010650902 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.18523010650902 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.18523010650902 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.18523010650902 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.18523010650902 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.68523010650902 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.68523010650902 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.68523010650902 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.68523010650902 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.68523010650902 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.68523010650902 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.68523010650902 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.68523010650902 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.68523010650902 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.31476989349098 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.31476989349098 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.31476989349098 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.31476989349098 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.31476989349098 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.31476989349098 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.31476989349098 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.31476989349098 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.31476989349098 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.81476989349098 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.81476989349098 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.81476989349098 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.81476989349098 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.81476989349098 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.81476989349098 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.81476989349098 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.81476989349098 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.81476989349098 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 Ho 0.22222222222222 0.11111111111111 0.35880900295782 164.930 > 55 56 Ho 0.55555555555556 0.11111111111111 0.35880900295782 164.930 > 55 57 Ho 0.88888888888889 0.11111111111111 0.35880900295782 164.930 > 55 58 Ho 0.22222222222222 0.44444444444444 0.35880900295782 164.930 > 55 59 Ho 0.55555555555556 0.44444444444444 0.35880900295782 164.930 > 55 60 Ho 0.88888888888889 0.44444444444444 0.35880900295782 164.930 > 55 61 Ho 0.22222222222222 0.77777777777778 0.35880900295782 164.930 > 55 62 Ho 0.55555555555556 0.77777777777778 0.35880900295782 164.930 > 55 63 Ho 0.88888888888889 0.77777777777778 0.35880900295782 164.930 > 55 64 Ho 0.22222222222222 0.11111111111111 0.85880900295782 164.930 > 55 65 Ho 0.55555555555556 0.11111111111111 0.85880900295782 164.930 > 55 66 Ho 0.88888888888889 0.11111111111111 0.85880900295782 164.930 > 55 67 Ho 0.22222222222222 0.44444444444444 0.85880900295782 164.930 > 55 68 Ho 0.55555555555556 0.44444444444444 0.85880900295782 164.930 > 55 69 Ho 0.88888888888889 0.44444444444444 0.85880900295782 164.930 > 55 70 Ho 0.22222222222222 0.77777777777778 0.85880900295782 164.930 > 55 71 Ho 0.55555555555556 0.77777777777778 0.85880900295782 164.930 > 55 72 Ho 0.88888888888889 0.77777777777778 0.85880900295782 164.930 > 55 73 Ho 0.11111111111111 0.22222222222222 0.14119099704218 164.930 > 73 74 Ho 0.44444444444444 0.22222222222222 0.14119099704218 164.930 > 73 75 Ho 0.77777777777778 0.22222222222222 0.14119099704218 164.930 > 73 76 Ho 0.11111111111111 0.55555555555556 0.14119099704218 164.930 > 73 77 Ho 0.44444444444444 0.55555555555556 0.14119099704218 164.930 > 73 78 Ho 0.77777777777778 0.55555555555556 0.14119099704218 164.930 > 73 79 Ho 0.11111111111111 0.88888888888889 0.14119099704218 164.930 > 73 80 Ho 0.44444444444444 0.88888888888889 0.14119099704218 164.930 > 73 81 Ho 0.77777777777778 0.88888888888889 0.14119099704218 164.930 > 73 82 Ho 0.11111111111111 0.22222222222222 0.64119099704218 164.930 > 73 83 Ho 0.44444444444444 0.22222222222222 0.64119099704218 164.930 > 73 84 Ho 0.77777777777778 0.22222222222222 0.64119099704218 164.930 > 73 85 Ho 0.11111111111111 0.55555555555556 0.64119099704218 164.930 > 73 86 Ho 0.44444444444444 0.55555555555556 0.64119099704218 164.930 > 73 87 Ho 0.77777777777778 0.55555555555556 0.64119099704218 164.930 > 73 88 Ho 0.11111111111111 0.88888888888889 0.64119099704218 164.930 > 73 89 Ho 0.44444444444444 0.88888888888889 0.64119099704218 164.930 > 73 90 Ho 0.77777777777778 0.88888888888889 0.64119099704218 164.930 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.3100111 -0.0000000 0.0000000 0.0000000 5.3100111 0.0000000 0.0000000 0.0000000 5.1822187-------------------------- Born effective charges -------------------------- 1 O -2.6452225 0.0000000 0.0000000 -0.0000000 -2.6452225 0.0000000 0.0000000 0.0000000 -2.7265793 2 O -2.6452225 0.0000000 0.0000000 -0.0000000 -2.6452225 0.0000000 0.0000000 0.0000000 -2.7265793 3 S -2.1761716 0.0000000 0.0000000 -0.0000000 -2.1761716 0.0000000 0.0000000 0.0000000 -2.2509597 4 Ho 3.7333083 -0.0000000 0.0000000 0.0000000 3.7333083 0.0000000 0.0000000 0.0000000 3.8520592 5 Ho 3.7333083 -0.0000000 0.0000000 0.0000000 3.7333083 0.0000000 0.0000000 0.0000000 3.8520592----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating 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: 0.97, Number of G-points: 301, Lambda: 0.23Running 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): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 3.207 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 11.537 ( 0.000 0.000 0.000) 0.000 11.537 ( 0.000 0.000 0.000) 0.000 13.262 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 14.128 ( 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): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.490 ( 20.740 11.974 2.236) 24.052 0.674 ( 27.736 16.013 0.042) 32.026 1.063 ( 44.282 25.566 -1.058) 51.143 3.227 ( 1.707 0.986 -0.546) 2.045 3.328 ( 9.841 5.682 0.545) 11.377 5.705 ( -4.588 -2.649 -0.137) 5.300 6.247 ( 1.563 0.902 -0.130) 1.810 7.289 ( 2.324 1.342 0.137) 2.687 7.590 ( 0.636 0.367 -2.288) 2.403 11.508 ( -2.505 -1.446 -1.035) 3.072 12.734 ( -27.715 -16.001 4.527) 32.321 13.586 ( -0.796 -0.460 0.986) 1.348 13.980 ( -5.133 -2.963 -28.540) 29.148 14.075 ( 17.029 9.831 15.190) 24.847 15.730 ( 4.779 2.759 9.152) 10.687======================= Grid point 2 (3/192) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( 21.093 12.178 2.054) 24.443 1.307 ( 25.320 14.618 -0.309) 29.239 2.094 ( 42.096 24.304 -0.268) 48.608 3.286 ( 3.180 1.836 -1.197) 3.862 3.650 ( 16.609 9.589 1.052) 19.207 5.551 ( -8.094 -4.673 -1.115) 9.412 6.303 ( 3.119 1.800 -0.242) 3.609 7.362 ( 3.623 2.092 0.563) 4.222 7.609 ( 0.917 0.529 -5.084) 5.193 11.412 ( -5.693 -3.287 -1.625) 6.771 12.091 ( -25.467 -14.704 1.782) 29.461 13.567 ( -0.524 -0.303 1.620) 1.729 13.667 ( -16.347 -9.438 -9.580) 21.168 14.527 ( 16.499 9.526 -4.716) 19.626 15.863 ( 5.851 3.378 13.600) 15.186======================= Grid point 3 (4/192) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 20.833 12.028 2.123) 24.150 1.871 ( 22.024 12.716 -0.617) 25.439 3.042 ( 36.873 21.289 2.532) 42.653 3.375 ( 4.196 2.422 -2.004) 5.243 4.086 ( 19.526 11.274 0.946) 22.567 5.338 ( -9.264 -5.348 -3.877) 11.378 6.393 ( 4.453 2.571 -0.336) 5.153 7.448 ( 3.242 1.872 0.762) 3.820 7.632 ( 1.146 0.662 -7.822) 7.933 11.233 ( -9.406 -5.430 -1.526) 10.968 11.551 ( -19.475 -11.244 -0.041) 22.488 13.240 ( -19.139 -11.050 -6.513) 23.039 13.571 ( 1.035 0.597 1.687) 2.067 14.845 ( 10.402 6.005 -5.577) 13.242 15.989 ( 4.493 2.594 14.622) 15.516======================= Grid point 4 (5/192) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 19.200 11.085 2.520) 22.313 2.354 ( 18.631 10.757 -0.509) 21.520 3.481 ( 4.581 2.645 -2.829) 5.998 3.785 ( 23.515 13.576 9.583) 28.794 4.565 ( 20.774 11.994 -1.547) 24.037 5.152 ( -4.956 -2.861 -8.906) 10.586 6.509 ( 5.173 2.986 -0.421) 5.988 7.499 ( 0.825 0.476 -2.384) 2.567 7.672 ( 2.367 1.367 -6.687) 7.224 10.971 ( -12.276 -7.088 -0.932) 14.206 11.178 ( -11.850 -6.842 -0.652) 13.699 12.773 ( -19.868 -11.471 -3.562) 23.217 13.619 ( 2.894 1.671 1.311) 3.590 15.033 ( 5.654 3.264 -5.602) 8.602 16.071 ( 2.376 1.372 13.940) 14.208======================= Grid point 5 (6/192) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 15.722 9.077 2.883) 18.381 2.761 ( 15.724 9.078 0.196) 18.158 3.587 ( 4.215 2.433 -3.270) 5.863 4.069 ( 0.757 0.437 12.413) 12.444 5.069 ( 19.716 11.383 -1.048) 22.790 5.169 ( 7.399 4.272 -12.937) 15.504 6.632 ( 4.924 2.843 -0.473) 5.705 7.492 ( -1.126 -0.650 -6.342) 6.474 7.740 ( 3.053 1.763 -2.993) 4.624 10.669 ( -12.628 -7.291 -0.310) 14.585 10.986 ( -4.459 -2.575 -0.665) 5.192 12.309 ( -18.903 -10.914 -1.134) 21.857 13.701 ( 3.770 2.177 0.824) 4.431 15.129 ( 2.667 1.540 -5.213) 6.055 16.105 ( 0.612 0.353 11.918) 11.939======================= Grid point 6 (7/192) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.700 ( 10.368 5.986 2.536) 12.237 3.108 ( 13.546 7.821 1.090) 15.679 3.675 ( 3.034 1.751 -2.784) 4.474 3.941 ( -9.196 -5.310 5.927) 12.161 5.318 ( 7.098 4.098 -2.055) 8.450 5.546 ( 15.610 9.013 -5.916) 18.971 6.735 ( 3.583 2.069 -0.408) 4.157 7.459 ( -1.401 -0.809 -5.970) 6.185 7.807 ( 2.425 1.400 -1.100) 3.008 10.398 ( -9.602 -5.544 0.023) 11.087 10.954 ( 1.385 0.800 -0.716) 1.752 11.891 ( -15.786 -9.114 0.377) 18.232 13.786 ( 3.112 1.797 0.427) 3.618 15.171 ( 1.070 0.618 -3.912) 4.102 16.108 ( -0.230 -0.133 8.246) 8.250======================= Grid point 7 (8/192) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 3.624 2.092 1.045) 4.313 3.411 ( 12.064 6.965 1.088) 13.973 3.692 ( -11.179 -6.454 1.031) 12.949 3.725 ( 1.118 0.646 -1.121) 1.710 5.439 ( 2.679 1.547 -0.598) 3.151 5.804 ( 5.610 3.239 -1.848) 6.737 6.795 ( 1.321 0.763 -0.167) 1.534 7.434 ( -0.597 -0.344 -2.357) 2.456 7.848 ( 0.928 0.536 -0.280) 1.108 10.236 ( -3.605 -2.081 0.049) 4.163 11.020 ( 2.931 1.692 -0.533) 3.426 11.594 ( -7.825 -4.518 0.569) 9.054 13.839 ( 1.195 0.690 0.130) 1.386 15.186 ( 0.273 0.158 -1.480) 1.513 16.101 ( -0.194 -0.112 2.977) 2.985======================= Grid point 16 (9/192) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 12.466 21.592 0.000) 24.932 1.143 ( 15.048 26.064 0.000) 30.096 1.819 ( 24.617 42.638 0.000) 49.234 3.273 ( 1.917 3.320 0.000) 3.834 3.543 ( 8.534 14.782 0.000) 17.068 5.600 ( -4.227 -7.321 0.000) 8.453 6.284 ( 1.593 2.759 0.000) 3.185 7.339 ( 1.921 3.328 0.000) 3.842 7.602 ( 0.470 0.814 0.000) 0.940 11.450 ( -2.511 -4.350 0.000) 5.023 12.267 ( -15.131 -26.208 0.000) 30.262 13.475 ( -4.534 -7.853 0.000) 9.068 13.834 ( -5.470 -9.474 0.000) 10.939 14.446 ( 11.591 20.077 0.000) 23.182 15.813 ( 2.791 4.835 0.000) 5.583======================= Grid point 17 (10/192) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( 15.517 19.964 1.084) 25.308 1.679 ( 17.563 20.170 -0.286) 26.746 2.713 ( 29.891 33.697 0.641) 45.049 3.359 ( 2.728 5.177 -0.959) 5.930 3.910 ( 14.508 15.177 0.650) 21.006 5.416 ( -6.996 -8.099 -1.421) 10.797 6.360 ( 3.056 3.779 -0.163) 4.863 7.416 ( 2.810 2.958 0.445) 4.104 7.620 ( 0.739 0.539 -3.774) 3.883 11.321 ( -6.303 -5.749 -0.900) 8.578 11.736 ( -17.091 -18.501 0.268) 25.189 13.248 ( -6.159 -19.183 -2.608) 20.315 13.671 ( -5.896 0.300 -0.395) 5.917 14.808 ( 7.795 15.473 -3.636) 17.703 15.914 ( 4.585 1.385 8.358) 9.633======================= Grid point 18 (11/192) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 15.684 18.553 1.664) 24.351 2.170 ( 16.638 15.659 -0.463) 22.853 3.444 ( 7.794 7.711 -0.915) 11.003 3.553 ( 20.724 23.415 3.880) 31.509 4.349 ( 17.572 13.751 -0.252) 22.314 5.211 ( -6.441 -6.465 -5.030) 10.420 6.468 ( 4.037 4.677 -0.285) 6.185 7.486 ( 1.831 1.698 -0.293) 2.514 7.643 ( 1.582 0.357 -5.988) 6.204 11.107 ( -10.154 -6.843 -0.946) 12.282 11.307 ( -13.103 -11.927 -0.367) 17.722 12.878 ( -11.323 -20.557 -3.109) 23.674 13.633 ( -0.956 3.321 0.893) 3.570 15.040 ( 2.795 11.576 -5.403) 13.077 15.997 ( 4.807 -1.887 11.768) 12.851======================= Grid point 19 (12/192) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( 13.698 16.480 2.204) 21.543 2.594 ( 14.862 12.176 -0.158) 19.213 3.570 ( 2.751 5.432 -2.706) 6.664 4.052 ( 7.783 11.721 12.222) 18.637 4.825 ( 20.713 12.919 -4.185) 24.768 5.115 ( 1.358 -0.167 -8.959) 9.062 6.593 ( 4.131 5.155 -0.380) 6.617 7.505 ( -0.597 0.191 -4.358) 4.402 7.692 ( 3.264 0.407 -3.655) 4.917 10.830 ( -12.762 -6.638 -0.517) 14.394 11.033 ( -6.481 -7.070 -0.537) 9.607 12.449 ( -13.731 -18.509 -1.661) 23.106 13.687 ( 1.970 4.447 0.942) 4.954 15.158 ( -0.488 8.011 -5.888) 9.954 16.045 ( 3.932 -3.770 12.058) 13.232======================= Grid point 20 (13/192) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( 9.625 13.392 2.428) 16.670 2.954 ( 13.149 9.415 0.512) 16.180 3.658 ( 1.793 3.239 -2.599) 4.524 4.088 ( -8.120 2.865 8.805) 12.315 5.234 ( 7.249 4.977 -3.280) 9.385 5.322 ( 19.640 9.381 -7.246) 22.939 6.713 ( 3.137 4.991 -0.405) 5.909 7.480 ( -1.678 -0.461 -6.181) 6.422 7.758 ( 3.639 0.000 -1.320) 3.871 10.538 ( -12.110 -5.467 -0.101) 13.287 10.926 ( 0.074 -3.162 -0.589) 3.217 12.026 ( -13.411 -15.665 -0.137) 20.622 13.779 ( 2.244 5.339 0.663) 5.830 15.201 ( -1.721 4.858 -5.147) 7.284 16.063 ( 2.832 -4.216 9.887) 11.115======================= Grid point 21 (14/192) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.863 ( 3.821 9.502 1.759) 10.392 3.258 ( 11.762 6.399 0.838) 13.416 3.675 ( -1.140 -3.124 -0.785) 3.417 3.946 ( -11.140 7.568 2.250) 13.654 5.391 ( 4.983 2.743 -1.528) 5.890 5.681 ( 11.931 3.923 -3.269) 12.978 6.800 ( 1.109 4.149 -0.278) 4.304 7.447 ( -1.295 -0.407 -4.134) 4.351 7.813 ( 2.735 -0.768 -0.403) 2.869 10.314 ( -7.627 -2.668 0.045) 8.080 10.952 ( 4.427 -1.064 -0.656) 4.600 11.672 ( -9.641 -11.530 0.633) 15.043 13.861 ( 0.341 5.482 0.345) 5.503 15.208 ( -1.542 2.576 -3.053) 4.282 16.065 ( 2.141 -3.848 5.593) 7.118======================= Grid point 22 (15/192) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.947 ( -3.086 5.345 -0.000) 6.172 3.465 ( 2.414 -4.182 0.000) 4.828 3.572 ( -0.001 0.001 0.000) 0.002 3.892 ( -7.248 12.554 0.000) 14.496 5.451 ( 0.190 -0.329 -0.000) 0.380 5.810 ( 1.511 -2.617 -0.000) 3.022 6.832 ( -1.581 2.739 -0.000) 3.162 7.433 ( -0.096 0.167 -0.000) 0.193 7.834 ( 1.038 -1.798 0.000) 2.076 10.230 ( -0.772 1.337 0.000) 1.544 11.005 ( 1.792 -3.104 0.000) 3.584 11.506 ( 2.150 -3.723 -0.000) 4.299 13.894 ( -2.552 4.421 -0.000) 5.104 15.206 ( -1.056 1.829 0.000) 2.112 16.063 ( 2.032 -3.520 0.000) 4.065======================= Grid point 33 (16/192) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 12.777 22.131 0.000) 25.554 2.100 ( 11.621 20.129 0.000) 23.243 3.380 ( 13.378 23.172 0.000) 26.756 3.524 ( 9.719 16.834 0.000) 19.439 4.255 ( 10.302 17.844 0.000) 20.605 5.236 ( -4.992 -8.647 0.000) 9.985 6.457 ( 3.210 5.560 0.000) 6.420 7.476 ( 1.536 2.660 0.000) 3.071 7.630 ( 0.281 0.487 0.000) 0.562 11.166 ( -5.419 -9.385 0.000) 10.837 11.371 ( -9.405 -16.291 0.000) 18.811 12.851 ( -11.159 -19.329 0.000) 22.319 13.668 ( 0.178 0.308 0.000) 0.355 15.097 ( 6.790 11.761 0.000) 13.581 15.925 ( -0.035 -0.061 0.000) 0.070======================= Grid point 34 (17/192) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( 12.436 20.485 0.767) 23.976 2.495 ( 11.934 15.616 -0.124) 19.654 3.578 ( 3.142 5.806 -0.960) 6.671 4.052 ( 12.238 22.538 5.557) 26.241 4.635 ( 14.445 13.491 -2.603) 19.936 5.105 ( -1.423 -2.591 -3.295) 4.427 6.583 ( 3.861 6.398 -0.142) 7.474 7.514 ( 0.316 0.988 -1.321) 1.679 7.648 ( 1.559 0.155 -1.872) 2.441 10.948 ( -8.255 -8.469 -0.317) 11.831 11.075 ( -8.088 -10.445 -0.175) 13.212 12.451 ( -10.688 -20.485 -0.771) 23.119 13.704 ( 1.504 3.943 0.445) 4.244 15.276 ( 0.284 10.608 -4.141) 11.391 15.922 ( 2.806 -5.029 6.643) 8.792======================= Grid point 35 (18/192) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 9.564 17.766 1.404) 20.226 2.845 ( 11.246 12.171 -0.006) 16.571 3.662 ( 1.304 2.461 -1.335) 3.088 4.280 ( -4.606 11.307 9.217) 15.297 5.055 ( 18.498 7.364 -9.421) 22.027 5.178 ( 6.615 7.513 -0.834) 10.045 6.718 ( 3.348 6.721 -0.244) 7.513 7.505 ( -1.445 -0.351 -4.199) 4.454 7.692 ( 3.180 -0.168 -0.688) 3.258 10.691 ( -11.240 -7.020 -0.170) 13.253 10.896 ( -2.232 -5.871 -0.317) 6.289 12.054 ( -10.604 -19.141 -0.312) 21.884 13.799 ( 2.745 6.546 0.642) 7.127 15.332 ( -4.558 8.329 -6.225) 11.353 15.928 ( 4.983 -7.285 9.278) 12.805======================= Grid point 36 (19/192) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.913 ( 4.903 14.123 1.901) 15.071 3.143 ( 9.660 8.846 -0.305) 13.102 3.667 ( -0.846 -2.446 -0.414) 2.621 4.246 ( -10.395 12.489 4.331) 16.817 5.315 ( 7.542 2.802 -4.332) 9.138 5.483 ( 14.268 5.691 -1.939) 15.483 6.832 ( 1.653 6.388 -0.247) 6.603 7.467 ( -1.672 -1.077 -4.246) 4.688 7.747 ( 3.280 -0.689 -0.057) 3.352 10.437 ( -9.655 -4.508 -0.019) 10.656 10.862 ( 2.885 -2.822 -0.465) 4.063 11.694 ( -8.938 -16.049 0.359) 18.373 13.918 ( 1.630 8.087 0.580) 8.270 15.306 ( -5.290 5.003 -4.953) 8.806 15.945 ( 4.972 -6.898 7.202) 11.143======================= Grid point 37 (20/192) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.075 ( -1.371 10.601 1.108) 10.747 3.356 ( 6.711 2.752 -0.713) 7.288 3.596 ( -2.712 -3.156 0.486) 4.189 4.205 ( -10.441 16.052 0.856) 19.168 5.426 ( 2.833 0.641 -1.037) 3.085 5.702 ( 7.491 -1.918 -0.966) 7.793 6.900 ( -1.059 5.346 -0.104) 5.451 7.435 ( -0.467 -1.059 -1.718) 2.071 7.785 ( 2.056 -1.519 0.013) 2.556 10.281 ( -4.254 -0.693 0.009) 4.311 10.913 ( 4.471 -2.473 -0.367) 5.123 11.438 ( -2.682 -10.689 0.408) 11.028 14.003 ( -1.895 7.882 0.250) 8.110 15.268 ( -3.263 3.298 -1.825) 4.985 15.958 ( 4.051 -6.303 2.618) 7.936======================= Grid point 49 (21/192) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.627 ( 10.586 18.336 0.000) 21.173 2.808 ( 8.517 14.751 0.000) 17.033 3.662 ( 1.110 1.923 0.000) 2.220 4.413 ( 6.464 11.197 0.000) 12.929 4.892 ( 7.015 12.150 0.000) 14.029 5.158 ( 4.603 7.973 0.000) 9.206 6.724 ( 4.032 6.984 0.000) 8.065 7.518 ( -0.478 -0.827 0.000) 0.955 7.659 ( 0.686 1.188 0.000) 1.372 10.760 ( -5.849 -10.130 0.000) 11.697 10.888 ( -4.040 -6.998 0.000) 8.081 12.044 ( -10.934 -18.938 0.000) 21.868 13.809 ( 3.647 6.317 0.000) 7.294 15.453 ( 3.408 5.903 0.000) 6.817 15.810 ( -2.899 -5.021 0.000) 5.797======================= Grid point 50 (22/192) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.952 ( 7.134 13.783 1.063) 15.556 3.102 ( 7.929 12.992 -0.648) 15.234 3.654 ( -1.056 -2.827 -0.008) 3.018 4.534 ( -4.688 12.999 3.827) 14.339 5.151 ( 11.758 3.608 -4.993) 13.274 5.366 ( 7.176 8.340 0.430) 11.011 6.861 ( 3.062 6.998 -0.093) 7.639 7.481 ( -1.690 -2.274 -1.923) 3.425 7.697 ( 2.132 0.939 0.154) 2.334 10.537 ( -7.850 -7.844 -0.028) 11.097 10.804 ( 0.112 -2.819 -0.163) 2.826 11.677 ( -9.048 -17.236 0.100) 19.467 13.956 ( 3.865 8.584 0.320) 9.420 15.486 ( -6.900 6.437 -5.795) 11.074 15.760 ( 5.652 -8.675 6.659) 12.310======================= Grid point 51 (23/192) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.173 ( 3.845 10.301 2.598) 11.298 3.321 ( 2.965 8.468 -3.118) 9.499 3.592 ( -1.028 -3.939 1.152) 4.231 4.561 ( -9.142 16.910 2.079) 19.335 5.349 ( 7.478 0.615 -3.198) 8.156 5.542 ( 7.204 -0.174 0.237) 7.210 6.968 ( 0.711 6.607 -0.070) 6.645 7.424 ( -0.975 -3.254 -1.709) 3.803 7.743 ( 1.865 0.369 0.119) 1.905 10.350 ( -5.570 -3.841 -0.015) 6.766 10.821 ( 3.370 -0.813 -0.293) 3.480 11.381 ( -5.387 -14.072 0.332) 15.071 14.100 ( 1.265 9.112 0.370) 9.207 15.398 ( -7.125 3.811 -3.687) 8.882 15.793 ( 6.300 -7.556 4.283) 10.730======================= Grid point 52 (24/192) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.280 ( -4.928 8.535 -0.000) 9.856 3.369 ( 0.308 -0.534 0.000) 0.617 3.566 ( 0.188 -0.326 0.000) 0.377 4.565 ( -10.419 18.047 0.000) 20.838 5.420 ( 0.727 -1.259 -0.000) 1.454 5.607 ( 4.023 -6.967 0.000) 8.045 7.011 ( -2.998 5.192 -0.000) 5.995 7.396 ( 1.583 -2.742 -0.000) 3.166 7.762 ( 0.343 -0.594 0.000) 0.686 10.278 ( -0.143 0.248 0.000) 0.287 10.863 ( 1.140 -1.974 0.000) 2.279 11.243 ( 4.625 -8.011 -0.000) 9.250 14.163 ( -4.061 7.034 -0.000) 8.122 15.349 ( -2.732 4.731 0.000) 5.463 15.811 ( 4.511 -7.813 0.000) 9.022======================= Grid point 66 (25/192) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.179 ( 5.060 8.764 0.000) 10.119 3.361 ( 6.335 10.973 0.000) 12.671 3.572 ( -2.607 -4.516 0.000) 5.215 4.778 ( 5.554 9.620 0.000) 11.108 5.231 ( 2.715 4.702 0.000) 5.430 5.482 ( 1.520 2.633 0.000) 3.040 6.998 ( 3.498 6.058 0.000) 6.996 7.414 ( -2.283 -3.955 0.000) 4.566 7.728 ( 1.032 1.788 0.000) 2.065 10.383 ( -3.802 -6.586 0.000) 7.604 10.786 ( 0.633 1.097 0.000) 1.266 11.354 ( -8.030 -13.909 0.000) 16.061 14.137 ( 4.799 8.312 0.000) 9.598 15.583 ( -2.762 -4.784 0.000) 5.524 15.596 ( 0.589 1.021 0.000) 1.179======================= Grid point 67 (26/192) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.330 ( 3.871 5.383 1.471) 6.792 3.449 ( -5.303 1.377 -3.097) 6.294 3.549 ( 2.859 1.572 1.721) 3.689 4.904 ( -5.850 15.571 0.727) 16.650 5.348 ( 7.021 -0.382 -1.601) 7.211 5.475 ( 0.249 -6.046 0.748) 6.098 7.100 ( 0.241 6.198 0.025) 6.203 7.336 ( -0.306 -5.085 -0.272) 5.101 7.758 ( 0.491 0.871 0.013) 1.001 10.285 ( -1.635 -2.316 -0.006) 2.835 10.839 ( 2.090 2.713 -0.097) 3.426 11.122 ( -2.463 -10.887 0.110) 11.163 14.269 ( 0.542 6.509 0.086) 6.532 15.467 ( -5.615 3.085 -1.386) 6.555 15.646 ( 5.166 -6.378 1.431) 8.331======================= Grid point 82 (27/192) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.413 ( -1.514 -2.622 0.000) 3.027 3.413 ( 1.514 2.622 0.000) 3.027 3.590 ( -0.000 -0.000 0.000) 0.000 5.120 ( -0.000 -0.000 0.000) 0.000 5.351 ( -1.143 -1.979 0.000) 2.285 5.351 ( 1.143 1.979 0.000) 2.285 7.223 ( -2.887 -5.000 0.000) 5.774 7.223 ( 2.887 5.000 0.000) 5.774 7.769 ( -0.000 -0.000 0.000) 0.000 10.260 ( -0.000 -0.000 0.000) 0.000 10.938 ( -3.452 -5.979 0.000) 6.904 10.938 ( 3.452 5.979 0.000) 6.904 14.340 ( -0.000 -0.000 0.000) 0.000 15.538 ( -2.074 -3.592 0.000) 4.148 15.538 ( 2.074 3.592 0.000) 4.148======================= Grid point 241 (28/192) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( 0.000 -0.000 31.155) 31.155 0.613 ( 0.000 -0.000 31.155) 31.155 0.979 ( -0.000 0.000 50.178) 50.178 3.158 ( 0.000 -0.000 -5.049) 5.049 3.158 ( 0.000 0.000 -5.049) 5.049 5.637 ( 0.000 -0.000 -12.553) 12.553 6.224 ( 0.000 0.000 -0.363) 0.363 6.224 ( 0.000 -0.000 -0.363) 0.363 9.927 ( 0.000 0.000 1.937) 1.937 11.561 ( 0.000 0.000 2.362) 2.362 11.561 ( 0.000 0.000 2.362) 2.362 13.579 ( 0.000 0.000 -1.707) 1.707 13.579 ( 0.000 0.000 -1.707) 1.707 14.122 ( 0.000 0.000 -0.508) 0.508 16.523 ( 0.000 -0.000 0.512) 0.512======================= Grid point 242 (29/192) =======================q-point: ( 0.07 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( 18.528 10.697 16.230) 26.854 0.808 ( 13.305 7.681 24.671) 29.063 1.492 ( 32.020 18.487 33.990) 50.223 3.170 ( 1.371 0.792 -5.408) 5.635 3.292 ( 10.525 6.077 -4.213) 12.863 5.581 ( -4.296 -2.480 -11.996) 12.981 6.240 ( 1.443 0.833 -0.490) 1.737 6.586 ( 19.772 11.416 -20.161) 30.459 8.593 ( -46.026 -26.573 40.336) 66.720 11.511 ( -3.368 -1.944 1.318) 4.106 12.463 ( 9.642 5.567 -19.037) 22.054 13.484 ( -3.102 -1.791 -11.390) 11.940 13.588 ( -0.014 -0.008 -0.786) 0.786 14.262 ( 10.251 5.919 2.899) 12.187 16.177 ( -10.569 -6.102 18.410) 22.088======================= Grid point 243 (30/192) =======================q-point: ( 0.13 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 17.671 10.203 16.773) 26.414 1.304 ( 24.495 14.142 3.218) 28.467 2.317 ( 36.084 20.833 19.680) 46.080 3.221 ( 2.871 1.658 -5.519) 6.439 3.633 ( 17.501 10.104 -2.587) 20.373 5.437 ( -7.761 -4.481 -10.225) 13.597 6.293 ( 2.985 1.724 -0.676) 3.513 6.984 ( 13.781 7.957 -20.307) 25.799 7.903 ( -17.671 -10.202 16.913) 26.503 11.398 ( -6.200 -3.580 0.220) 7.163 12.162 ( -22.881 -13.210 5.857) 27.062 13.351 ( -10.004 -5.776 -18.052) 21.431 13.585 ( -0.032 -0.018 0.138) 0.142 14.566 ( 13.400 7.736 4.971) 16.252 16.133 ( 3.284 1.896 11.701) 12.301======================= Grid point 244 (31/192) =======================q-point: ( 0.20 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 18.925 10.926 11.420) 24.656 1.861 ( 21.985 12.693 0.857) 25.400 3.170 ( 34.924 20.164 8.828) 41.282 3.303 ( 3.954 2.283 -5.365) 7.045 4.089 ( 20.065 11.585 -0.219) 23.170 5.222 ( -9.851 -5.687 -7.602) 13.681 6.381 ( 4.310 2.488 -0.907) 5.058 7.260 ( 9.687 5.593 -14.505) 18.317 7.607 ( -8.530 -4.925 1.140) 9.915 11.213 ( -9.349 -5.397 -0.410) 10.803 11.620 ( -20.848 -12.037 7.069) 25.090 13.043 ( -15.016 -8.669 -12.338) 21.280 13.596 ( 1.082 0.625 0.704) 1.434 14.838 ( 9.097 5.252 3.352) 11.026 16.228 ( 3.763 2.172 9.195) 10.170======================= Grid point 245 (32/192) =======================q-point: ( 0.27 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 17.852 10.307 7.449) 21.919 2.344 ( 18.680 10.785 0.182) 21.570 3.406 ( 4.662 2.692 -4.727) 7.165 3.921 ( 25.886 14.945 1.477) 29.927 4.554 ( 18.420 10.635 2.174) 21.380 5.013 ( -5.537 -3.197 -4.608) 7.881 6.493 ( 5.033 2.906 -1.159) 5.927 7.409 ( -0.439 -0.253 -6.583) 6.603 7.507 ( 3.251 1.877 -9.234) 9.967 10.958 ( -11.818 -6.823 -0.330) 13.650 11.210 ( -13.348 -7.707 3.912) 15.902 12.662 ( -16.761 -9.677 -7.270) 20.674 13.640 ( 2.623 1.514 0.763) 3.123 15.001 ( 4.881 2.818 1.641) 5.870 16.290 ( 1.270 0.733 8.078) 8.210======================= Grid point 246 (33/192) =======================q-point: ( 0.33 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.453 ( 14.191 8.193 3.718) 16.803 2.755 ( 15.919 9.191 -0.453) 18.387 3.522 ( 5.056 2.919 -3.132) 6.625 4.205 ( -3.076 -1.776 -1.889) 4.023 4.958 ( 16.009 9.243 -2.664) 18.677 5.127 ( 15.077 8.705 4.051) 17.875 6.613 ( 4.841 2.795 -1.381) 5.758 7.365 ( -1.093 -0.631 -5.882) 6.015 7.634 ( 5.173 2.986 -7.721) 9.762 10.668 ( -12.119 -6.997 0.249) 13.996 10.986 ( -5.637 -3.254 0.719) 6.548 12.258 ( -16.866 -9.738 -3.745) 19.832 13.714 ( 3.424 1.977 0.482) 3.982 15.086 ( 2.565 1.481 0.531) 3.009 16.287 ( -1.437 -0.830 6.396) 6.608======================= Grid point 247 (34/192) =======================q-point: ( 0.40 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.724 ( 8.322 4.805 -0.254) 9.613 3.104 ( 13.470 7.777 -1.303) 15.608 3.641 ( 4.761 2.749 -0.449) 5.516 3.983 ( -12.383 -7.149 -2.197) 14.466 5.270 ( 9.892 5.711 -2.062) 11.607 5.544 ( 16.713 9.649 5.391) 20.037 6.716 ( 3.632 2.097 -1.496) 4.453 7.371 ( 1.564 0.903 -2.520) 3.100 7.737 ( 3.435 1.983 -6.009) 7.200 10.407 ( -9.295 -5.366 0.903) 10.771 10.930 ( 0.636 0.367 -1.537) 1.704 11.875 ( -14.911 -8.609 -1.895) 17.322 13.792 ( 2.823 1.630 0.122) 3.263 15.137 ( 1.925 1.111 0.364) 2.252 16.227 ( -3.431 -1.981 3.723) 5.436======================= Grid point 248 (35/192) =======================q-point: ( 0.47 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.844 ( 1.723 0.995 -3.461) 3.992 3.386 ( 9.385 5.418 -4.398) 11.695 3.687 ( -11.231 -6.484 -0.511) 12.978 3.737 ( 2.980 1.720 2.164) 4.065 5.431 ( 3.727 2.152 -0.363) 4.318 5.844 ( 7.850 4.532 5.897) 10.814 6.778 ( 1.523 0.879 -1.435) 2.269 7.431 ( 3.168 1.829 2.079) 4.208 7.796 ( 1.516 0.875 -4.957) 5.257 10.249 ( -3.573 -2.063 1.269) 4.317 10.989 ( 3.186 1.839 -2.462) 4.427 11.584 ( -8.261 -4.769 -1.551) 9.664 13.839 ( 0.982 0.567 -0.166) 1.146 15.184 ( 2.072 1.196 1.254) 2.701 16.133 ( -4.325 -2.497 0.135) 4.996======================= Grid point 249 (36/192) =======================q-point: (-0.47 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( -4.430 -2.557 -4.591) 6.873 3.338 ( -11.147 -6.436 -7.090) 14.695 3.666 ( 7.078 4.086 -0.232) 8.176 3.773 ( -0.044 -0.025 3.403) 3.404 5.450 ( -2.003 -1.156 0.348) 2.339 5.905 ( -2.716 -1.568 8.052) 8.641 6.784 ( -1.069 -0.617 -1.210) 1.728 7.509 ( 3.166 1.828 4.885) 6.102 7.809 ( -0.306 -0.177 -3.912) 3.928 10.248 ( 3.466 2.001 1.207) 4.180 11.007 ( -2.181 -1.259 -1.817) 3.106 11.565 ( 7.245 4.183 -2.274) 8.669 13.834 ( -1.371 -0.792 -0.352) 1.622 15.234 ( 2.054 1.186 3.191) 3.976 16.030 ( -4.185 -2.416 -4.033) 6.294======================= Grid point 250 (37/192) =======================q-point: (-0.40 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( -9.816 -5.667 -3.489) 11.859 3.054 ( -12.471 -7.200 -4.590) 15.115 3.735 ( -3.002 -1.733 3.145) 4.681 3.810 ( 4.160 2.402 -6.221) 7.859 5.341 ( -7.210 -4.163 0.534) 8.343 5.729 ( -11.358 -6.557 11.397) 17.375 6.730 ( -3.412 -1.970 -0.943) 4.051 7.567 ( 1.369 0.790 3.911) 4.218 7.789 ( -1.223 -0.706 -2.120) 2.548 10.406 ( 9.530 5.502 0.884) 11.040 10.954 ( -0.777 -0.449 -0.723) 1.153 11.862 ( 16.230 9.370 -2.407) 18.894 13.777 ( -3.317 -1.915 -0.486) 3.861 15.274 ( 1.180 0.681 6.158) 6.307 15.938 ( -3.500 -2.021 -8.365) 9.290======================= Grid point 251 (38/192) =======================q-point: (-0.33 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( -14.183 -8.188 -0.678) 16.391 2.737 ( -14.441 -8.338 -2.226) 16.823 3.638 ( -4.968 -2.868 1.828) 6.021 3.830 ( -3.353 -1.936 -11.235) 11.883 5.083 ( -15.618 -9.017 1.067) 18.065 5.442 ( -10.171 -5.872 13.306) 17.748 6.629 ( -4.854 -2.802 -0.735) 5.652 7.564 ( -1.702 -0.983 -0.030) 1.966 7.760 ( -1.059 -0.611 -0.112) 1.228 10.679 ( 12.852 7.420 0.699) 14.857 11.007 ( 5.627 3.249 1.397) 6.646 12.296 ( 19.665 11.354 -2.450) 22.839 13.686 ( -4.089 -2.361 -0.688) 4.771 15.281 ( -0.839 -0.484 9.960) 10.007 15.862 ( -3.049 -1.760 -12.278) 12.773======================= Grid point 252 (39/192) =======================q-point: (-0.27 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( -17.173 -9.915 3.211) 20.088 2.355 ( -17.911 -10.341 -0.075) 20.682 3.509 ( -5.681 -3.280 -0.012) 6.559 3.608 ( -15.936 -9.201 -8.748) 20.375 4.604 ( -22.936 -13.242 2.972) 26.651 5.314 ( -0.954 -0.551 7.001) 7.087 6.508 ( -5.144 -2.970 -0.578) 5.968 7.484 ( -5.135 -2.965 -4.032) 7.170 7.745 ( 0.155 0.089 0.827) 0.846 10.991 ( 12.819 7.401 1.000) 14.836 11.228 ( 12.917 7.458 4.239) 15.506 12.778 ( 20.512 11.843 -3.162) 23.895 13.594 ( -3.332 -1.924 -1.102) 4.002 15.224 ( -4.183 -2.415 13.842) 14.660 15.788 ( -3.199 -1.847 -14.591) 15.051======================= Grid point 253 (40/192) =======================q-point: (-0.20 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( -18.422 -10.636 7.911) 22.695 1.880 ( -21.945 -12.670 1.451) 25.382 3.075 ( -28.202 -16.282 4.098) 32.821 3.377 ( -5.255 -3.034 -1.857) 6.346 4.062 ( -21.725 -12.543 -0.647) 25.095 5.361 ( 4.171 2.408 -1.490) 5.041 6.392 ( -4.438 -2.562 -0.440) 5.143 7.311 ( -9.547 -5.512 -10.409) 15.162 7.792 ( 4.418 2.551 5.876) 7.782 11.266 ( 9.971 5.756 1.793) 11.652 11.611 ( 18.806 10.858 5.599) 22.425 13.250 ( 18.615 10.747 -5.331) 22.146 13.537 ( -1.395 -0.806 -1.725) 2.360 15.063 ( -9.871 -5.699 15.212) 19.008 15.719 ( -2.079 -1.200 -11.795) 12.036======================= Grid point 254 (41/192) =======================q-point: (-0.13 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -17.382 -10.036 14.105) 24.532 1.322 ( -24.455 -14.119 4.518) 28.598 2.318 ( -34.207 -19.749 19.072) 43.862 3.266 ( -4.001 -2.310 -3.352) 5.707 3.596 ( -17.101 -9.873 -4.129) 20.173 5.479 ( 5.179 2.990 -8.157) 10.114 6.302 ( -3.132 -1.808 -0.337) 3.632 7.025 ( -14.693 -8.483 -18.642) 25.207 7.997 ( 14.308 8.260 19.059) 25.223 11.455 ( 5.841 3.372 2.615) 7.233 12.087 ( 19.869 11.471 1.445) 22.988 13.528 ( 0.549 0.317 -2.248) 2.335 13.619 ( 10.895 6.290 -10.859) 16.619 14.732 ( -18.065 -10.430 9.910) 23.094 15.738 ( 5.166 2.983 2.565) 6.493======================= Grid point 255 (42/192) =======================q-point: (-0.07 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -12.086 -6.978 23.541) 27.366 0.781 ( -18.130 -10.467 17.973) 27.591 1.507 ( -32.482 -18.754 33.795) 50.487 3.190 ( -2.286 -1.320 -4.393) 5.125 3.271 ( -9.673 -5.585 -5.187) 12.315 5.587 ( 3.593 2.074 -11.685) 12.400 6.245 ( -1.622 -0.936 -0.308) 1.898 6.599 ( -21.013 -12.132 -20.410) 31.707 8.619 ( 43.707 25.234 40.316) 64.595 11.547 ( 2.070 1.195 2.872) 3.737 12.377 ( -5.363 -3.096 -19.642) 20.596 13.553 ( 1.290 0.745 -2.269) 2.715 13.664 ( -7.670 -4.428 -12.901) 15.648 14.289 ( -14.558 -8.405 2.641) 17.017 16.047 ( 22.126 12.774 20.593) 32.815======================= Grid point 257 (43/192) =======================q-point: ( 0.07 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 12.583 16.180 17.031) 26.649 1.157 ( 13.214 24.525 6.047) 28.507 2.090 ( 19.706 35.031 23.056) 46.336 3.227 ( 0.630 4.353 -4.704) 6.440 3.505 ( 10.127 14.614 -3.728) 18.167 5.497 ( -4.450 -5.343 -10.136) 12.292 6.280 ( 1.318 2.900 -0.424) 3.214 6.908 ( 7.824 16.475 -21.011) 27.822 8.065 ( -14.688 -19.204 23.630) 33.807 11.464 ( -4.707 -3.624 1.456) 6.116 12.263 ( -7.200 -20.467 0.494) 21.702 13.402 ( -9.879 -6.285 -7.706) 14.017 13.678 ( -3.483 1.198 -8.905) 9.637 14.549 ( 5.170 20.278 5.499) 21.637 15.956 ( 10.166 -10.476 11.414) 18.531======================= Grid point 258 (44/192) =======================q-point: ( 0.13 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 14.931 17.065 12.616) 25.949 1.674 ( 17.230 20.380 1.385) 26.724 2.850 ( 27.247 28.620 11.302) 41.100 3.303 ( 1.730 6.181 -4.788) 8.008 3.901 ( 15.831 15.634 -1.172) 22.280 5.325 ( -8.017 -5.924 -7.589) 12.529 6.352 ( 2.762 3.943 -0.609) 4.853 7.182 ( 7.465 10.145 -15.814) 20.217 7.721 ( -10.162 -6.667 6.525) 13.795 11.311 ( -7.398 -5.343 -0.023) 9.126 11.813 ( -16.844 -18.787 7.461) 26.313 13.118 ( -9.807 -14.214 -10.111) 20.011 13.632 ( -2.233 1.493 -2.579) 3.724 14.827 ( 4.320 15.581 4.084) 16.676 16.080 ( 10.697 -5.461 7.692) 14.262======================= Grid point 259 (45/192) =======================q-point: ( 0.20 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 14.982 16.908 8.900) 24.281 2.163 ( 16.450 15.890 0.499) 22.877 3.388 ( 3.454 6.297 -4.595) 8.526 3.629 ( 26.220 22.312 2.007) 34.487 4.358 ( 17.191 14.359 2.110) 22.498 5.111 ( -8.860 -4.510 -4.837) 11.056 6.457 ( 3.734 4.835 -0.844) 6.167 7.380 ( 5.094 5.071 -9.976) 12.296 7.540 ( -5.266 -1.024 -4.064) 6.730 11.091 ( -10.204 -6.687 -0.641) 12.217 11.360 ( -14.632 -12.612 5.679) 20.135 12.770 ( -11.271 -16.364 -7.503) 21.240 13.638 ( 0.489 2.647 -0.309) 2.710 15.012 ( 1.468 10.528 1.850) 10.789 16.190 ( 7.413 -5.182 7.547) 11.779======================= Grid point 260 (46/192) =======================q-point: ( 0.27 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.336 ( 12.785 15.325 5.583) 20.724 2.587 ( 14.835 12.303 -0.123) 19.273 3.503 ( 2.721 6.243 -3.906) 7.851 4.180 ( 10.895 9.232 -3.000) 14.592 4.775 ( 14.721 10.433 2.887) 18.272 5.023 ( 4.056 4.931 -0.787) 6.433 6.578 ( 3.860 5.301 -1.104) 6.649 7.396 ( -2.625 -0.213 -6.086) 6.631 7.578 ( 4.422 3.883 -7.780) 9.755 10.820 ( -12.128 -6.587 -0.435) 13.808 11.051 ( -8.040 -7.610 2.400) 11.328 12.388 ( -12.597 -15.989 -4.293) 20.803 13.699 ( 2.205 4.045 0.293) 4.616 15.106 ( -0.460 6.684 0.237) 6.704 16.233 ( 3.831 -5.732 6.931) 9.777======================= Grid point 261 (47/192) =======================q-point: ( 0.33 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.669 ( 8.047 12.419 2.028) 14.936 2.949 ( 13.282 9.258 -0.847) 16.213 3.612 ( 2.862 4.772 -1.779) 5.842 4.166 ( -11.159 -0.152 -2.413) 11.418 5.127 ( 13.378 6.975 -3.007) 15.384 5.338 ( 16.713 10.483 5.574) 20.501 6.695 ( 2.978 5.146 -1.313) 6.089 7.371 ( -0.400 1.122 -4.363) 4.523 7.688 ( 4.061 2.119 -5.820) 7.406 10.540 ( -11.546 -5.479 0.304) 12.784 10.916 ( -1.022 -3.518 -0.402) 3.685 12.003 ( -12.547 -14.396 -2.089) 19.210 13.788 ( 2.033 5.189 0.233) 5.578 15.148 ( -0.645 4.140 -0.336) 4.203 16.212 ( 0.738 -6.095 5.084) 7.972======================= Grid point 262 (48/192) =======================q-point: ( 0.40 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.866 ( 1.658 8.703 -1.565) 8.997 3.248 ( 11.314 5.735 -2.007) 12.842 3.676 ( 0.368 -1.175 1.105) 1.654 3.950 ( -13.135 6.036 -1.945) 14.586 5.362 ( 7.137 3.235 -1.289) 7.941 5.702 ( 13.060 5.111 5.233) 14.969 6.783 ( 1.136 4.334 -1.385) 4.689 7.402 ( 1.978 1.818 -0.204) 2.694 7.763 ( 2.741 0.586 -4.610) 5.395 10.323 ( -7.300 -2.850 0.856) 7.883 10.925 ( 3.935 -0.926 -1.929) 4.480 11.666 ( -9.607 -11.209 -1.252) 14.815 13.864 ( 0.038 5.367 -0.054) 5.368 15.180 ( 0.378 2.863 0.251) 2.899 16.141 ( -1.381 -6.058 2.068) 6.549======================= Grid point 263 (49/192) =======================q-point: ( 0.47 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( -4.690 5.094 -3.674) 7.838 3.410 ( -0.407 -2.875 -5.935) 6.607 3.603 ( -0.040 -0.183 3.037) 3.043 3.888 ( -5.966 11.058 0.211) 12.566 5.452 ( 1.232 0.016 -0.104) 1.236 5.875 ( 4.008 -1.716 6.379) 7.727 6.819 ( -1.395 2.926 -1.272) 3.483 7.469 ( 3.205 1.627 3.493) 5.012 7.796 ( 1.039 -0.771 -3.652) 3.874 10.240 ( -0.681 1.048 1.015) 1.609 10.985 ( 2.411 -2.294 -1.920) 3.842 11.489 ( 1.142 -4.059 -1.676) 4.538 13.890 ( -2.765 4.209 -0.336) 5.047 15.225 ( 1.360 2.936 1.865) 3.735 16.046 ( -2.282 -5.791 -1.729) 6.460======================= Grid point 265 (50/192) =======================q-point: (-0.47 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( -10.507 2.376 -3.355) 11.283 3.210 ( -11.966 -5.283 -4.485) 13.828 3.689 ( 4.596 -0.559 0.380) 4.645 3.900 ( -5.127 10.072 -1.418) 11.391 5.412 ( -4.273 -2.384 0.474) 4.916 5.809 ( -5.675 -7.681 8.979) 13.108 6.792 ( -3.947 1.252 -1.025) 4.266 7.537 ( 2.708 0.640 4.189) 5.029 7.787 ( -0.322 -1.827 -2.342) 2.988 10.322 ( 6.120 4.978 0.801) 7.930 10.947 ( -0.945 -3.979 -1.110) 4.238 11.644 ( 14.694 2.977 -2.113) 15.141 13.852 ( -5.031 2.186 -0.507) 5.508 15.285 ( 0.993 4.122 4.390) 6.104 15.947 ( -2.053 -5.612 -5.866) 8.374======================= Grid point 266 (51/192) =======================q-point: (-0.40 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( -15.938 0.396 -1.071) 15.979 2.921 ( -14.145 -5.530 -2.991) 15.479 3.696 ( -2.328 -1.627 0.822) 2.957 3.908 ( -4.508 6.421 -8.225) 11.367 5.250 ( -10.570 -4.350 0.389) 11.437 5.546 ( -10.959 -10.872 12.568) 19.906 6.709 ( -5.779 -0.163 -0.780) 5.834 7.565 ( 0.409 -1.022 1.191) 1.622 7.756 ( -0.529 -2.325 -0.423) 2.422 10.544 ( 10.940 7.493 0.459) 13.268 10.935 ( 3.537 -1.202 0.255) 3.744 12.007 ( 20.668 4.370 -1.989) 21.218 13.765 ( -5.914 0.482 -0.665) 5.971 15.334 ( -1.394 5.469 7.948) 9.748 15.861 ( -1.151 -5.419 -10.008) 11.439======================= Grid point 267 (52/192) =======================q-point: (-0.33 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( -20.148 -1.259 2.226) 20.310 2.584 ( -17.081 -6.213 -1.009) 18.204 3.598 ( -6.269 -1.498 -0.043) 6.446 3.813 ( -11.993 0.888 -11.543) 16.669 4.892 ( -21.637 -9.186 3.171) 23.719 5.314 ( -3.233 -6.366 10.090) 12.360 6.591 ( -6.482 -0.997 -0.597) 6.585 7.528 ( -2.639 -2.289 -2.426) 4.253 7.724 ( 0.105 -2.859 0.010) 2.861 10.838 ( 12.654 7.342 0.286) 14.633 11.068 ( 10.714 2.712 2.896) 11.425 12.443 ( 23.415 2.685 -2.314) 23.681 13.666 ( -5.178 0.312 -1.054) 5.293 15.330 ( -5.462 4.758 11.637) 13.707 15.798 ( -0.622 -3.467 -12.770) 13.247======================= Grid point 268 (53/192) =======================q-point: (-0.27 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -22.461 -2.027 6.122) 23.368 2.175 ( -21.510 -6.621 0.594) 22.514 3.421 ( -17.404 -5.639 -3.223) 18.577 3.499 ( -15.225 -0.511 -2.585) 15.452 4.370 ( -24.444 -8.857 2.510) 26.120 5.285 ( 4.091 -2.356 2.322) 5.261 6.466 ( -6.040 -1.203 -0.462) 6.176 7.417 ( -6.978 -3.197 -6.761) 10.229 7.718 ( 3.123 -2.804 1.231) 4.374 11.123 ( 11.882 4.679 0.647) 12.787 11.368 ( 17.583 5.819 5.573) 19.341 12.874 ( 23.719 -1.954 -3.581) 24.067 13.604 ( -2.849 2.395 -1.943) 4.199 15.219 ( -10.134 -0.230 12.117) 15.798 15.773 ( -1.583 2.723 -10.314) 10.784======================= Grid point 269 (54/192) =======================q-point: (-0.20 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( -22.749 -1.057 10.851) 25.227 1.684 ( -26.115 -5.592 1.874) 26.772 2.824 ( -35.960 -6.567 9.839) 37.855 3.338 ( -6.386 -1.428 -3.167) 7.269 3.880 ( -22.194 -4.331 -1.767) 22.682 5.377 ( 7.236 -0.923 -5.219) 8.969 6.358 ( -4.778 -0.910 -0.390) 4.879 7.209 ( -12.250 -3.722 -14.028) 18.992 7.802 ( 9.778 -1.868 8.584) 13.144 11.342 ( 8.996 1.157 1.251) 9.156 11.796 ( 22.764 6.218 6.031) 24.357 13.215 ( 19.174 -7.644 -5.654) 21.402 13.626 ( 1.370 4.200 -4.211) 6.103 14.953 ( -15.858 -6.338 8.905) 19.260 15.809 ( -1.739 10.941 -1.341) 11.159======================= Grid point 274 (55/192) =======================q-point: ( 0.13 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 13.326 19.945 8.696) 25.515 2.100 ( 11.313 20.294 0.697) 23.245 3.370 ( 10.159 15.708 -2.033) 18.817 3.507 ( 11.659 17.650 -1.882) 21.236 4.272 ( 11.619 20.326 2.411) 23.536 5.215 ( -7.465 -4.129 -2.147) 8.796 6.452 ( 2.981 5.676 -0.474) 6.429 7.369 ( 3.098 7.489 -9.296) 12.333 7.636 ( -6.400 -1.558 -0.416) 6.600 11.162 ( -6.486 -9.238 -0.331) 11.293 11.436 ( -10.058 -17.117 6.431) 20.869 12.799 ( -12.921 -16.623 -5.136) 21.672 13.645 ( 1.338 0.673 -2.089) 2.570 15.139 ( 0.072 13.770 3.746) 14.271 15.949 ( 10.678 -6.734 2.253) 12.824======================= Grid point 275 (56/192) =======================q-point: ( 0.20 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.295 ( 12.390 19.119 6.650) 23.733 2.492 ( 11.718 15.606 0.096) 19.516 3.531 ( 2.184 6.791 -3.762) 8.065 4.035 ( 18.415 15.852 -7.690) 25.486 4.678 ( 11.161 16.664 7.276) 21.336 5.068 ( -4.689 1.132 -0.463) 4.846 6.576 ( 3.570 6.555 -0.647) 7.492 7.439 ( -1.378 1.283 -5.893) 6.186 7.578 ( -0.255 3.842 -5.045) 6.346 10.933 ( -8.535 -8.492 -1.126) 12.093 11.114 ( -9.229 -11.189 3.971) 15.038 12.409 ( -10.886 -18.142 -3.341) 21.420 13.701 ( 2.449 3.780 -0.632) 4.549 15.234 ( -3.193 10.463 -0.160) 10.941 16.041 ( 8.538 -8.699 5.191) 13.248======================= Grid point 276 (57/192) =======================q-point: ( 0.27 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.676 ( 8.944 17.083 4.342) 19.766 2.837 ( 11.040 11.788 -0.706) 16.166 3.622 ( 1.599 4.061 -2.572) 5.066 4.327 ( -0.745 6.883 -6.220) 9.307 4.973 ( 10.145 8.697 2.682) 13.629 5.199 ( 10.873 10.620 3.057) 15.503 6.706 ( 3.066 6.920 -0.867) 7.618 7.406 ( -2.139 1.030 -5.126) 5.650 7.649 ( 2.800 2.924 -3.954) 5.659 10.682 ( -10.607 -7.002 -0.799) 12.734 10.904 ( -3.582 -6.417 1.109) 7.432 12.036 ( -10.243 -17.630 -1.538) 20.448 13.806 ( 3.075 6.371 0.049) 7.075 15.253 ( -4.421 7.213 -1.844) 8.658 16.075 ( 5.570 -9.228 5.531) 12.115======================= Grid point 277 (58/192) =======================q-point: ( 0.33 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.948 ( 3.025 14.247 1.470) 14.638 3.123 ( 9.833 7.485 -1.631) 12.465 3.664 ( 0.559 -0.168 0.443) 0.733 4.267 ( -11.874 10.349 -2.686) 15.978 5.242 ( 10.480 4.137 -2.147) 11.470 5.517 ( 12.931 6.241 4.853) 15.156 6.819 ( 1.474 6.647 -1.029) 6.886 7.399 ( 0.088 1.166 -2.228) 2.516 7.722 ( 2.684 1.315 -2.790) 4.089 10.437 ( -9.196 -4.739 -0.060) 10.346 10.848 ( 2.141 -2.807 -0.893) 3.642 11.691 ( -8.815 -15.377 -0.595) 17.734 13.925 ( 1.473 7.957 0.079) 8.093 15.242 ( -3.243 4.767 -1.535) 5.967 16.053 ( 2.633 -8.914 3.662) 9.990======================= Grid point 278 (59/192) =======================q-point: ( 0.40 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.066 ( -3.821 10.120 -1.838) 10.973 3.334 ( 7.077 2.909 -1.768) 7.853 3.630 ( -2.715 -1.980 2.999) 4.504 4.188 ( -11.264 15.161 -2.413) 19.041 5.404 ( 4.796 0.987 -1.135) 5.027 5.741 ( 8.508 -1.494 4.684) 9.827 6.887 ( -1.089 5.605 -1.086) 5.812 7.430 ( 2.326 0.464 1.259) 2.686 7.767 ( 1.487 0.075 -1.848) 2.373 10.284 ( -3.953 -1.077 0.276) 4.106 10.895 ( 4.504 -1.808 -1.365) 5.042 11.435 ( -3.332 -10.704 -0.732) 11.234 14.002 ( -2.266 7.657 -0.269) 7.990 15.251 ( -0.538 4.113 0.138) 4.150 15.990 ( 0.415 -8.403 0.513) 8.428======================= Grid point 279 (60/192) =======================q-point: (-0.53 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.033 ( -8.879 6.199 -2.715) 11.164 3.357 ( -7.238 -0.921 -1.083) 7.377 3.607 ( 3.259 -0.395 1.518) 3.617 4.164 ( -9.554 15.118 -2.795) 18.101 5.438 ( -0.705 -1.260 0.040) 1.445 5.774 ( 0.473 -7.878 5.968) 9.894 6.891 ( -3.980 3.779 -0.985) 5.576 7.484 ( 3.368 -0.467 2.753) 4.375 7.774 ( -0.140 -1.101 -0.794) 1.365 10.284 ( 2.871 2.918 0.266) 4.102 10.908 ( 0.153 -4.573 -0.821) 4.649 11.421 ( 10.025 -2.736 -1.355) 10.480 13.994 ( -6.104 5.350 -0.567) 8.136 15.313 ( 1.613 5.752 2.441) 6.454 15.900 ( -0.731 -8.231 -3.041) 8.805======================= Grid point 280 (61/192) =======================q-point: (-0.47 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.886 ( -13.606 4.164 -0.722) 14.247 3.134 ( -14.368 -1.894 -1.155) 14.539 3.667 ( 3.012 -1.467 -0.617) 3.407 4.141 ( -9.560 12.879 -5.593) 16.987 5.361 ( -5.550 -2.387 0.750) 6.088 5.600 ( -8.035 -12.094 8.761) 16.958 6.827 ( -6.237 1.850 -0.768) 6.551 7.527 ( 2.328 -1.699 0.907) 3.021 7.745 ( -1.043 -1.963 0.476) 2.273 10.437 ( 8.811 5.687 -0.027) 10.486 10.864 ( 1.328 -3.689 -0.271) 3.930 11.678 ( 18.393 0.440 -1.158) 18.435 13.906 ( -7.935 2.606 -0.640) 8.376 15.415 ( 1.005 8.584 5.542) 10.267 15.801 ( -0.459 -8.498 -6.830) 10.912======================= Grid point 281 (62/192) =======================q-point: (-0.40 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( -19.266 2.830 2.640) 19.651 2.833 ( -16.292 -2.854 -1.222) 16.585 3.661 ( -2.045 -1.668 -1.729) 3.155 4.075 ( -11.529 9.566 -10.445) 18.263 5.166 ( -16.134 -4.056 1.826) 16.736 5.303 ( -6.218 -11.749 10.933) 17.211 6.714 ( -7.429 0.439 -0.581) 7.464 7.525 ( 0.113 -2.718 -2.532) 3.716 7.701 ( -1.158 -2.731 0.606) 3.027 10.688 ( 11.814 5.615 -0.554) 13.093 10.914 ( 7.345 -0.612 1.468) 7.515 12.046 ( 21.854 -0.112 -1.200) 21.887 13.784 ( -7.311 1.105 -0.795) 7.437 15.482 ( -4.240 6.484 8.956) 11.842 15.740 ( 2.541 -4.130 -9.656) 10.805======================= Grid point 282 (63/192) =======================q-point: (-0.33 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( -23.039 1.430 5.595) 23.752 2.493 ( -19.063 -2.410 -0.161) 19.215 3.563 ( -6.758 -1.717 -2.725) 7.486 3.885 ( -19.822 5.916 -10.289) 23.104 4.728 ( -23.517 -5.893 6.204) 25.025 5.184 ( 1.614 -6.166 4.439) 7.767 6.580 ( -7.434 -0.269 -0.470) 7.454 7.479 ( -2.604 -2.242 -4.772) 5.880 7.650 ( -0.290 -4.067 -1.623) 4.389 10.943 ( 12.038 2.266 -0.755) 12.273 11.119 ( 14.367 1.852 4.160) 15.071 12.435 ( 22.571 -1.965 -2.362) 22.780 13.685 ( -4.660 1.156 -1.297) 4.973 15.375 ( -8.401 -3.312 5.239) 10.440 15.815 ( 2.519 7.460 -3.547) 8.636======================= Grid point 290 (64/192) =======================q-point: ( 0.20 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.674 ( 11.091 16.757 4.677) 20.632 2.803 ( 8.482 14.973 -0.293) 17.211 3.635 ( 0.629 2.724 -2.795) 3.953 4.273 ( 14.182 8.090 -11.615) 20.037 5.025 ( -0.448 15.854 10.806) 19.192 5.167 ( 3.413 8.167 0.850) 8.892 6.718 ( 3.852 7.069 -0.541) 8.069 7.463 ( -2.885 1.120 -4.712) 5.637 7.655 ( 0.179 3.260 -1.066) 3.434 10.746 ( -5.941 -9.859 -1.430) 11.599 10.908 ( -4.918 -8.037 2.091) 9.651 12.034 ( -10.813 -18.068 -0.949) 21.078 13.804 ( 4.348 6.208 -0.463) 7.593 15.431 ( -5.056 8.568 -1.642) 10.083 15.847 ( 7.514 -9.880 3.150) 12.806======================= Grid point 291 (65/192) =======================q-point: ( 0.27 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.993 ( 8.349 11.972 2.695) 14.843 3.090 ( 5.794 13.947 -0.242) 15.104 3.647 ( 0.322 -1.319 -0.567) 1.472 4.507 ( 0.827 10.270 -6.615) 12.244 5.132 ( 4.198 6.821 2.719) 8.458 5.399 ( 8.318 7.795 3.194) 11.839 6.854 ( 2.899 7.208 -0.589) 7.792 7.424 ( -2.060 0.239 -3.138) 3.761 7.702 ( 1.548 2.391 -0.237) 2.859 10.528 ( -7.592 -7.876 -0.943) 10.979 10.802 ( -0.592 -3.088 0.040) 3.144 11.679 ( -8.841 -16.724 0.053) 18.917 13.959 ( 4.226 8.348 -0.022) 9.357 15.393 ( -6.931 6.214 -3.524) 9.954 15.871 ( 6.406 -10.181 4.494) 12.841======================= Grid point 292 (66/192) =======================q-point: ( 0.33 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.227 ( 3.450 11.012 2.971) 11.916 3.256 ( 1.750 6.468 -3.678) 7.643 3.636 ( 0.242 -1.543 3.575) 3.901 4.550 ( -9.448 15.747 -3.300) 18.658 5.300 ( 7.939 1.728 -1.535) 8.269 5.578 ( 7.270 -0.603 3.249) 7.986 6.961 ( 0.544 6.951 -0.571) 6.996 7.400 ( 0.249 -1.427 -0.536) 1.545 7.751 ( 1.305 1.666 0.500) 2.174 10.344 ( -5.298 -4.146 -0.638) 6.758 10.811 ( 3.116 -0.469 -0.686) 3.225 11.386 ( -5.598 -13.933 0.225) 15.018 14.103 ( 1.136 8.816 -0.138) 8.889 15.341 ( -4.502 4.771 -1.984) 6.854 15.859 ( 3.680 -9.588 2.334) 10.532======================= Grid point 293 (67/192) =======================q-point: ( 0.40 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.236 ( -6.975 5.137 -3.217) 9.241 3.406 ( 4.054 5.073 2.316) 6.894 3.601 ( -3.193 -1.081 3.806) 5.084 4.527 ( -11.635 17.003 -3.717) 20.935 5.410 ( 3.006 -0.224 -0.923) 3.153 5.641 ( 4.649 -7.949 3.250) 9.765 7.004 ( -3.138 5.473 -0.627) 6.339 7.409 ( 3.098 -2.465 1.235) 4.147 7.775 ( -0.167 0.648 1.295) 1.458 10.273 ( 0.101 -0.145 -0.543) 0.571 10.860 ( 1.409 -1.404 -0.348) 2.019 11.240 ( 3.907 -7.945 -0.350) 8.861 14.157 ( -4.387 6.811 -0.526) 8.119 15.353 ( 0.137 5.841 0.415) 5.857 15.805 ( 1.214 -9.266 -0.593) 9.365======================= Grid point 295 (68/192) =======================q-point: (-0.53 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.128 ( -9.535 2.881 -2.046) 10.169 3.387 ( -12.421 2.877 4.149) 13.408 3.582 ( 4.372 -1.529 -0.228) 4.637 4.484 ( -11.996 15.056 -5.434) 20.003 5.398 ( -2.111 -3.416 1.363) 4.241 5.577 ( -1.759 -9.443 3.877) 10.358 6.962 ( -6.077 2.865 -0.583) 6.744 7.450 ( 3.767 -2.500 0.585) 4.559 7.758 ( -1.682 -0.447 1.832) 2.527 10.345 ( 6.251 2.533 -0.618) 6.773 10.822 ( -1.001 -3.315 -0.208) 3.469 11.374 ( 14.750 -1.693 -0.328) 14.850 14.090 ( -8.624 3.622 -0.579) 9.372 15.464 ( 3.494 8.628 2.425) 9.619 15.715 ( -0.507 -9.449 -3.070) 9.948======================= Grid point 296 (69/192) =======================q-point: (-0.47 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.953 ( -13.473 2.319 0.722) 13.691 3.121 ( -17.374 -0.367 1.866) 17.478 3.641 ( 2.460 -0.641 -1.515) 2.959 4.403 ( -12.358 11.404 -8.523) 18.852 5.273 ( -4.465 -9.226 5.481) 11.623 5.388 ( -11.145 -3.882 3.653) 12.354 6.857 ( -7.587 0.824 -0.527) 7.650 7.475 ( 1.962 -2.892 -2.196) 4.128 7.713 ( -2.250 -1.095 1.490) 2.912 10.529 ( 10.688 2.566 -0.903) 11.029 10.808 ( 2.935 -1.570 0.271) 3.339 11.675 ( 19.252 -0.324 -0.128) 19.255 13.949 ( -9.465 1.424 -0.421) 9.580 15.584 ( -3.510 -4.631 0.911) 5.882 15.649 ( 5.917 5.989 -1.267) 8.514======================= Grid point 307 (70/192) =======================q-point: ( 0.27 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( 6.818 6.915 -0.500) 9.724 3.380 ( 2.084 12.591 2.148) 12.942 3.592 ( 1.047 -3.412 2.199) 4.193 4.713 ( 9.379 8.876 -6.252) 14.347 5.263 ( -2.950 6.066 2.689) 7.261 5.496 ( 2.068 1.435 1.483) 2.921 6.995 ( 3.584 6.231 -0.265) 7.193 7.404 ( -2.931 -2.209 -0.802) 3.757 7.751 ( 1.060 2.276 2.082) 3.262 10.373 ( -3.877 -6.664 -1.069) 7.783 10.783 ( 0.388 1.255 -0.237) 1.335 11.359 ( -7.704 -14.015 0.486) 16.001 14.134 ( 5.096 8.005 -0.287) 9.494 15.502 ( -7.736 3.857 -4.024) 9.535 15.675 ( 5.990 -8.010 3.771) 10.690======================= Grid point 308 (71/192) =======================q-point: ( 0.33 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.334 ( 3.217 3.555 -1.471) 5.015 3.416 ( -3.077 3.849 0.050) 4.928 3.634 ( 1.172 1.931 7.140) 7.489 4.873 ( -5.536 14.750 -3.974) 16.248 5.323 ( 5.653 0.842 -0.898) 5.785 5.494 ( 1.381 -7.173 1.120) 7.390 7.100 ( 0.105 6.524 0.030) 6.525 7.338 ( 0.118 -4.409 0.445) 4.433 7.786 ( 0.341 1.472 2.704) 3.097 10.273 ( -1.549 -2.539 -1.201) 3.207 10.837 ( 2.138 3.093 -0.087) 3.761 11.128 ( -2.662 -10.977 0.446) 11.304 14.264 ( 0.474 6.234 -0.502) 6.272 15.439 ( -3.578 4.791 -1.261) 6.111 15.672 ( 3.174 -8.226 1.036) 8.877======================= Grid point 309 (72/192) =======================q-point: (-0.60 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.296 ( -6.696 1.962 -1.884) 7.228 3.486 ( 4.748 -0.163 0.265) 4.758 3.599 ( -7.177 1.968 7.222) 10.370 4.849 ( -12.026 12.535 -4.831) 18.030 5.378 ( -1.241 -5.696 1.131) 5.939 5.468 ( 5.757 -4.245 0.116) 7.154 7.099 ( -5.704 3.170 -0.043) 6.526 7.346 ( 4.642 -2.817 0.673) 5.471 7.787 ( -1.316 0.369 2.894) 3.200 10.273 ( 2.992 0.062 -1.194) 3.222 10.841 ( -3.516 -0.523 0.089) 3.555 11.124 ( 10.557 -2.935 0.249) 10.960 14.261 ( -5.936 2.880 -0.602) 6.625 15.482 ( 1.841 5.421 -0.013) 5.725 15.627 ( 1.061 -6.633 -0.308) 6.724======================= Grid point 323 (73/192) =======================q-point: ( 0.33 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 308Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.405 ( -1.598 -3.196 -0.730) 3.647 3.405 ( 1.598 3.196 -0.730) 3.647 3.674 ( -0.000 -0.000 8.450) 8.450 5.078 ( -0.000 -0.000 -4.354) 4.354 5.349 ( -0.987 -1.974 -0.226) 2.218 5.349 ( 0.987 1.974 -0.226) 2.218 7.229 ( -2.671 -5.343 0.538) 5.998 7.229 ( 2.671 5.343 0.538) 5.998 7.802 ( -0.000 -0.000 3.359) 3.359 10.246 ( -0.000 -0.000 -1.449) 1.449 10.941 ( -3.136 -6.271 0.344) 7.020 10.941 ( 3.136 6.271 0.344) 7.020 14.333 ( -0.000 -0.000 -0.688) 0.688 15.537 ( -2.062 -4.125 -0.113) 4.613 15.537 ( 2.062 4.125 -0.113) 4.613======================= Grid point 482 (74/192) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 0.000 -0.000 27.850) 27.850 1.185 ( 0.000 0.000 27.850) 27.850 1.916 ( 0.000 0.000 46.659) 46.659 3.016 ( 0.000 0.000 -9.469) 9.469 3.016 ( 0.000 0.000 -9.469) 9.469 5.294 ( 0.000 0.000 -22.391) 22.391 6.216 ( -0.000 0.000 -0.513) 0.513 6.216 ( 0.000 0.000 -0.513) 0.513 9.973 ( 0.000 0.000 2.576) 2.576 11.620 ( -0.000 0.000 3.492) 3.492 11.620 ( 0.000 0.000 3.492) 3.492 13.536 ( 0.000 -0.000 -2.565) 2.565 13.536 ( 0.000 0.000 -2.565) 2.565 14.110 ( 0.000 0.000 -0.710) 0.710 16.535 ( 0.000 0.000 0.717) 0.717======================= Grid point 483 (75/192) =======================q-point: ( 0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 6.161 3.557 26.895) 27.820 1.306 ( 8.326 4.807 25.548) 27.297 2.179 ( 18.899 10.912 34.944) 41.199 3.024 ( 1.374 0.793 -9.513) 9.645 3.177 ( 12.475 7.202 -6.881) 15.964 5.265 ( -2.416 -1.395 -20.325) 20.516 6.230 ( 1.332 0.769 -0.564) 1.638 6.377 ( 11.780 6.801 -5.375) 14.625 9.079 ( -47.619 -27.493 14.650) 56.904 11.554 ( -4.227 -2.440 2.990) 5.724 12.251 ( 23.593 13.622 -4.426) 27.600 13.354 ( -13.399 -7.736 -4.521) 16.119 13.558 ( 0.670 0.387 -2.188) 2.321 14.281 ( 13.484 7.785 -0.046) 15.570 16.377 ( -8.423 -4.863 5.148) 11.005======================= Grid point 484 (76/192) =======================q-point: ( 0.13 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 17.239 9.953 17.131) 26.262 1.561 ( 12.671 7.316 20.619) 25.283 2.698 ( 23.412 13.517 15.832) 31.329 3.080 ( 3.272 1.889 -8.864) 9.635 3.585 ( 21.039 12.147 -0.347) 24.297 5.184 ( -4.295 -2.480 -15.328) 16.111 6.279 ( 2.811 1.623 -0.717) 3.324 6.696 ( 13.894 8.022 -10.109) 18.962 8.152 ( -29.770 -17.188 9.373) 35.630 11.420 ( -7.082 -4.089 1.938) 8.404 12.319 ( -15.339 -8.856 10.296) 20.487 13.043 ( -10.397 -6.002 -14.134) 18.545 13.572 ( 0.656 0.379 -1.427) 1.616 14.648 ( 14.802 8.546 3.188) 17.387 16.278 ( 0.113 0.065 3.687) 3.689======================= Grid point 485 (77/192) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 14.541 8.395 14.858) 22.421 1.953 ( 19.288 11.136 9.331) 24.148 3.177 ( 4.885 2.821 -7.320) 9.242 3.261 ( 23.457 13.543 -2.503) 27.202 4.135 ( 24.380 14.076 6.881) 28.981 5.068 ( -5.191 -2.997 -8.003) 9.999 6.362 ( 4.091 2.362 -0.953) 4.819 7.008 ( 11.971 6.911 -10.792) 17.537 7.623 ( -15.676 -9.050 0.860) 18.121 11.218 ( -9.808 -5.663 0.916) 11.363 11.805 ( -23.323 -13.466 11.438) 29.260 12.807 ( -10.715 -6.186 -11.638) 16.986 13.596 ( 1.484 0.857 -0.661) 1.837 14.926 ( 8.469 4.889 4.960) 10.965 16.326 ( 2.687 1.551 1.041) 3.273======================= Grid point 486 (78/192) =======================q-point: ( 0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.230 ( 13.609 7.857 8.618) 17.923 2.387 ( 16.944 9.783 4.682) 20.118 3.312 ( 6.412 3.702 -4.611) 8.722 3.768 ( 17.523 10.117 -15.846) 25.700 4.703 ( 22.001 12.702 12.045) 28.115 4.976 ( -0.395 -0.228 0.166) 0.486 6.469 ( 4.810 2.777 -1.230) 5.688 7.250 ( 7.419 4.283 -8.863) 12.327 7.381 ( -4.231 -2.443 -3.361) 5.930 10.960 ( -11.696 -6.753 0.446) 13.513 11.315 ( -17.036 -9.836 6.455) 20.703 12.519 ( -13.403 -7.738 -6.984) 16.979 13.646 ( 2.660 1.536 -0.214) 3.079 15.067 ( 3.877 2.239 4.514) 6.358 16.368 ( 0.438 0.253 -0.016) 0.506======================= Grid point 487 (79/192) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.514 ( 9.889 5.710 2.149) 11.619 2.756 ( 14.158 8.174 0.759) 16.366 3.480 ( 7.622 4.401 -0.915) 8.849 3.996 ( 0.774 0.447 -16.384) 16.409 5.006 ( 9.221 5.324 4.292) 11.480 5.279 ( 20.086 11.597 11.532) 25.902 6.584 ( 4.659 2.690 -1.494) 5.584 7.295 ( 1.292 0.746 -0.918) 1.752 7.469 ( 6.281 3.627 -8.563) 11.222 10.677 ( -11.623 -6.711 0.656) 13.437 11.011 ( -8.565 -4.945 1.676) 10.031 12.179 ( -14.965 -8.640 -4.177) 17.778 13.718 ( 3.246 1.874 -0.138) 3.751 15.132 ( 1.973 1.139 3.706) 4.351 16.340 ( -2.730 -1.576 -0.892) 3.276======================= Grid point 488 (80/192) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.691 ( 4.965 2.867 -2.974) 6.459 3.057 ( 10.841 6.259 -3.690) 13.050 3.660 ( 7.065 4.079 2.230) 8.457 3.881 ( -8.040 -4.642 -6.876) 11.553 5.252 ( 9.717 5.610 0.055) 11.220 5.716 ( 15.829 9.139 11.230) 21.452 6.683 ( 3.538 2.042 -1.710) 4.428 7.376 ( 5.070 2.927 3.053) 6.603 7.595 ( 4.313 2.490 -7.962) 9.391 10.429 ( -8.795 -5.078 1.243) 10.231 10.900 ( -0.995 -0.574 -1.450) 1.850 11.825 ( -14.284 -8.247 -3.085) 16.780 13.790 ( 2.619 1.512 -0.256) 3.035 15.175 ( 1.897 1.095 3.236) 3.907 16.244 ( -5.147 -2.971 -1.912) 6.243======================= Grid point 489 (81/192) =======================q-point: ( 0.47 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.753 ( 0.370 0.214 -5.344) 5.361 3.235 ( 2.710 1.565 -10.209) 10.677 3.708 ( -4.611 -2.662 2.453) 5.862 3.796 ( 3.997 2.308 3.549) 5.822 5.420 ( 4.111 2.373 -0.698) 4.798 6.004 ( 7.908 4.566 9.664) 13.296 6.745 ( 1.551 0.896 -1.850) 2.575 7.503 ( 4.818 2.782 4.568) 7.199 7.679 ( 2.892 1.670 -6.118) 6.970 10.280 ( -3.387 -1.955 1.725) 4.274 10.936 ( 2.900 1.674 -2.711) 4.309 11.538 ( -8.442 -4.874 -3.031) 10.209 13.833 ( 0.853 0.493 -0.369) 1.052 15.227 ( 2.524 1.457 2.997) 4.181 16.107 ( -6.133 -3.541 -2.663) 7.566======================= Grid point 490 (82/192) =======================q-point: (-0.47 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( -3.738 -2.158 -5.039) 6.635 3.158 ( -7.578 -4.375 -10.196) 13.437 3.698 ( 2.151 1.242 2.961) 3.865 3.840 ( -0.300 -0.173 3.246) 3.265 5.447 ( -1.770 -1.022 -0.690) 2.157 6.079 ( -1.614 -0.932 9.132) 9.320 6.753 ( -0.930 -0.537 -1.865) 2.152 7.573 ( 0.883 0.510 -0.353) 1.079 7.741 ( 2.326 1.343 -1.024) 2.875 10.278 ( 3.248 1.875 1.735) 4.132 10.959 ( -1.645 -0.950 -2.832) 3.410 11.513 ( 7.078 4.087 -2.976) 8.698 13.827 ( -1.407 -0.812 -0.371) 1.666 15.294 ( 3.021 1.744 2.716) 4.421 15.963 ( -5.805 -3.352 -2.531) 7.165======================= Grid point 491 (83/192) =======================q-point: (-0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( -7.461 -4.308 -2.529) 8.979 2.945 ( -9.794 -5.655 -5.865) 12.740 3.728 ( -0.553 -0.320 -2.351) 2.436 3.785 ( -4.189 -2.418 1.797) 5.160 5.342 ( -6.952 -4.014 -0.399) 8.037 5.936 ( -9.954 -5.747 9.264) 14.763 6.702 ( -3.231 -1.866 -1.744) 4.119 7.556 ( -2.012 -1.162 -4.777) 5.312 7.773 ( 0.014 0.008 0.318) 0.318 10.428 ( 9.128 5.270 1.262) 10.615 10.928 ( 0.735 0.424 -1.742) 1.938 11.807 ( 15.969 9.220 -3.087) 18.696 13.769 ( -3.319 -1.916 -0.261) 3.841 15.368 ( 3.132 1.808 2.433) 4.358 15.834 ( -5.148 -2.972 -1.314) 6.088======================= Grid point 492 (84/192) =======================q-point: (-0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( -10.645 -6.146 1.719) 12.411 2.694 ( -11.568 -6.679 -1.500) 13.441 3.649 ( -6.242 -3.604 -7.689) 10.539 3.652 ( -6.720 -3.880 -0.461) 7.773 5.108 ( -13.261 -7.656 1.340) 15.371 5.650 ( -12.669 -7.315 7.933) 16.641 6.606 ( -4.671 -2.697 -1.526) 5.605 7.489 ( -3.636 -2.099 -6.579) 7.804 7.741 ( -2.362 -1.364 -2.582) 3.756 10.693 ( 12.655 7.307 0.671) 14.629 11.034 ( 8.445 4.876 1.325) 9.841 12.224 ( 18.515 10.690 -4.556) 21.860 13.677 ( -4.188 -2.418 -0.144) 4.838 15.442 ( 3.166 1.828 2.836) 4.627 15.709 ( -5.663 -3.270 0.279) 6.546======================= Grid point 493 (85/192) =======================q-point: (-0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( -12.886 -7.440 7.173) 16.518 2.380 ( -15.076 -8.704 3.570) 17.771 3.433 ( -11.760 -6.789 -9.845) 16.772 3.479 ( -7.572 -4.372 -3.115) 9.281 4.687 ( -21.941 -12.667 5.519) 25.929 5.401 ( -7.650 -4.417 1.711) 8.997 6.489 ( -4.959 -2.863 -1.252) 5.861 7.359 ( -8.054 -4.650 -8.242) 12.427 7.709 ( 1.146 0.662 -4.299) 4.498 11.006 ( 13.126 7.578 0.463) 15.164 11.326 ( 15.717 9.074 5.582) 18.988 12.666 ( 18.304 10.568 -7.722) 22.502 13.581 ( -3.679 -2.124 -0.228) 4.254 15.524 ( 3.956 2.284 6.391) 7.855 15.543 ( -8.750 -5.052 -0.477) 10.115======================= Grid point 494 (86/192) =======================q-point: (-0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( -13.483 -7.784 13.324) 20.491 1.978 ( -18.394 -10.620 9.536) 23.282 3.101 ( -16.051 -9.267 -3.515) 18.864 3.304 ( -6.888 -3.977 -5.628) 9.743 4.109 ( -25.476 -14.709 6.367) 30.099 5.281 ( -2.737 -1.580 -6.736) 7.441 6.378 ( -4.267 -2.463 -0.966) 5.020 7.098 ( -13.491 -7.789 -10.836) 18.976 7.842 ( 10.656 6.152 -0.344) 12.309 11.294 ( 10.741 6.202 0.978) 12.442 11.750 ( 18.911 10.918 8.516) 23.439 13.075 ( 15.562 8.984 -11.703) 21.444 13.512 ( -1.981 -1.144 -0.721) 2.398 15.263 ( -15.360 -8.868 0.707) 17.751 15.653 ( 7.378 4.260 8.249) 11.859======================= Grid point 495 (87/192) =======================q-point: (-0.13 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( -11.490 -6.634 19.762) 23.803 1.546 ( -16.637 -9.605 18.199) 26.462 2.671 ( -19.979 -11.535 13.433) 26.696 3.159 ( -5.175 -2.988 -7.575) 9.648 3.536 ( -21.370 -12.338 0.327) 24.679 5.254 ( 0.166 0.096 -14.728) 14.729 6.291 ( -3.015 -1.740 -0.722) 3.555 6.741 ( -15.973 -9.222 -10.967) 21.458 8.256 ( 25.344 14.633 8.401) 30.447 11.503 ( 6.618 3.821 2.084) 7.920 12.155 ( 12.814 7.398 5.759) 15.877 13.375 ( 8.885 5.130 -13.357) 16.842 13.489 ( 0.031 0.018 -1.570) 1.570 14.803 ( -22.682 -13.095 -0.817) 26.203 15.905 ( 14.253 8.229 11.518) 20.088======================= Grid point 496 (88/192) =======================q-point: (-0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( -6.166 -3.560 25.470) 26.447 1.256 ( -6.744 -3.893 27.527) 28.607 2.185 ( -19.066 -11.008 34.263) 40.727 3.061 ( -3.014 -1.740 -8.832) 9.493 3.142 ( -11.208 -6.471 -7.299) 14.858 5.275 ( 1.224 0.707 -20.256) 20.305 6.236 ( -1.582 -0.914 -0.566) 1.913 6.382 ( -12.766 -7.371 -5.755) 15.825 9.099 ( 45.338 26.176 14.215) 54.247 11.608 ( 2.334 1.347 3.136) 4.135 12.160 ( -17.578 -10.149 -4.151) 20.718 13.495 ( 2.611 1.507 -6.727) 7.371 13.506 ( 1.192 0.688 -2.333) 2.708 14.296 ( -16.154 -9.326 -0.668) 18.665 16.301 ( 16.821 9.712 7.736) 20.907======================= Grid point 498 (89/192) =======================q-point: ( 0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( 8.341 13.786 20.171) 25.816 1.466 ( 8.773 11.795 21.992) 26.453 2.542 ( 12.616 21.144 20.024) 31.736 3.097 ( -0.026 5.690 -8.510) 10.237 3.430 ( 12.661 17.757 -2.131) 21.912 5.233 ( -3.018 -1.279 -16.716) 17.034 6.269 ( 1.173 2.896 -0.644) 3.190 6.622 ( 7.405 15.485 -9.762) 19.746 8.395 ( -21.649 -31.024 11.407) 39.513 11.501 ( -6.151 -4.079 2.218) 7.707 12.312 ( 2.447 -10.218 4.685) 11.504 13.222 ( -16.474 -5.866 -9.670) 19.982 13.564 ( 1.678 -0.181 -3.951) 4.297 14.606 ( 7.473 21.954 0.971) 23.212 16.148 ( 5.312 -14.384 7.660) 17.141======================= Grid point 499 (90/192) =======================q-point: ( 0.13 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 13.402 13.417 15.535) 24.514 1.797 ( 12.969 16.461 12.871) 24.593 3.015 ( 17.813 15.166 1.945) 23.476 3.187 ( 2.581 8.618 -6.746) 11.244 3.916 ( 18.986 19.820 4.824) 27.867 5.145 ( -5.402 -1.010 -10.637) 11.973 6.338 ( 2.507 4.017 -0.778) 4.799 6.917 ( 8.767 12.456 -11.076) 18.833 7.812 ( -17.348 -14.015 3.206) 22.531 11.321 ( -8.224 -6.076 0.992) 10.273 12.006 ( -15.849 -19.114 12.076) 27.611 12.899 ( -10.787 -8.999 -11.967) 18.454 13.585 ( 1.029 0.570 -2.343) 2.621 14.912 ( 4.401 15.279 4.115) 16.424 16.184 ( 9.576 -7.816 2.961) 12.711======================= Grid point 500 (91/192) =======================q-point: ( 0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.124 ( 11.556 14.187 11.666) 21.701 2.221 ( 15.001 14.282 6.138) 21.603 3.280 ( 4.080 7.003 -6.361) 10.302 3.549 ( 19.149 13.456 -10.807) 25.779 4.475 ( 20.542 18.380 10.118) 29.363 5.035 ( -5.539 0.088 -3.130) 6.363 6.438 ( 3.380 4.965 -0.984) 6.086 7.174 ( 7.527 8.413 -10.082) 15.135 7.479 ( -9.643 -4.287 -2.158) 10.772 11.085 ( -10.213 -7.459 0.086) 12.647 11.507 ( -17.800 -14.761 8.933) 24.790 12.615 ( -9.619 -12.033 -7.981) 17.350 13.625 ( 2.059 1.968 -1.038) 3.031 15.079 ( 0.839 8.981 4.468) 10.066 16.271 ( 7.231 -6.099 0.836) 9.497======================= Grid point 501 (92/192) =======================q-point: ( 0.27 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.452 ( 8.599 13.472 5.825) 17.011 2.606 ( 13.420 11.034 2.355) 17.533 3.432 ( 4.873 7.395 -3.106) 9.385 3.944 ( 10.064 7.214 -17.784) 21.670 4.934 ( 6.760 7.889 8.908) 13.685 5.070 ( 14.090 10.378 6.602) 18.704 6.555 ( 3.484 5.459 -1.231) 6.592 7.299 ( -0.129 1.009 -3.706) 3.843 7.422 ( 3.355 5.522 -7.339) 9.778 10.814 ( -11.258 -7.281 -0.162) 13.408 11.116 ( -11.515 -9.314 4.055) 15.356 12.299 ( -11.235 -13.141 -4.557) 17.879 13.698 ( 2.695 3.701 -0.388) 4.594 15.148 ( -0.660 5.034 3.595) 6.221 16.299 ( 3.001 -6.326 -0.119) 7.003======================= Grid point 502 (93/192) =======================q-point: ( 0.33 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.691 ( 3.631 11.336 0.177) 11.904 2.928 ( 11.554 8.202 -1.230) 14.222 3.599 ( 5.558 6.145 0.535) 8.303 4.012 ( -6.230 2.675 -11.586) 13.424 5.129 ( 9.923 5.962 1.905) 11.732 5.506 ( 17.701 9.632 11.055) 22.985 6.667 ( 2.660 5.331 -1.462) 6.134 7.334 ( 2.789 2.874 0.835) 4.091 7.552 ( 4.156 4.309 -7.585) 9.663 10.548 ( -10.490 -5.850 0.415) 12.018 10.912 ( -3.473 -4.514 0.089) 5.696 11.953 ( -12.114 -12.769 -2.849) 17.830 13.787 ( 1.988 5.016 -0.253) 5.402 15.178 ( -0.232 2.962 2.953) 4.189 16.250 ( -0.825 -6.771 -1.123) 6.913======================= Grid point 503 (94/192) =======================q-point: ( 0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.814 ( -1.410 8.804 -3.345) 9.523 3.174 ( 7.547 5.033 -5.689) 10.708 3.713 ( 1.323 -0.155 2.377) 2.725 3.899 ( -8.070 7.644 -2.345) 11.360 5.344 ( 7.503 3.192 -0.536) 8.171 5.855 ( 12.976 3.846 9.652) 16.623 6.752 ( 0.934 4.537 -1.652) 4.918 7.441 ( 4.979 2.829 3.850) 6.900 7.652 ( 2.824 3.116 -6.187) 7.480 10.343 ( -6.540 -3.282 1.106) 7.400 10.885 ( 2.812 -0.887 -1.988) 3.556 11.627 ( -9.995 -10.460 -2.507) 14.684 13.860 ( -0.117 5.221 -0.347) 5.234 15.212 ( 1.184 2.309 2.724) 3.762 16.140 ( -3.311 -6.801 -2.112) 7.853======================= Grid point 504 (95/192) =======================q-point: ( 0.47 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( -5.744 6.768 -3.992) 9.733 3.248 ( -3.788 0.486 -10.033) 10.736 3.678 ( -0.251 -0.575 4.298) 4.343 3.910 ( -3.228 8.148 1.861) 8.960 5.443 ( 1.711 -0.037 -0.817) 1.896 6.028 ( 5.197 -2.437 8.605) 10.344 6.788 ( -1.429 3.149 -1.751) 3.876 7.537 ( 3.341 0.222 2.035) 3.918 7.722 ( 1.912 2.595 -2.420) 4.031 10.264 ( -0.327 0.393 1.390) 1.481 10.941 ( 2.277 -1.406 -2.438) 3.620 11.446 ( 0.478 -3.722 -2.690) 4.617 13.883 ( -2.807 4.084 -0.400) 4.972 15.270 ( 2.391 2.795 2.522) 4.460 16.003 ( -4.158 -6.328 -2.486) 7.970======================= Grid point 506 (96/192) =======================q-point: (-0.47 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( -9.959 5.614 -2.265) 11.655 3.089 ( -11.069 -1.991 -7.426) 13.477 3.699 ( 1.795 -1.410 1.014) 2.498 3.900 ( -6.095 5.651 0.858) 8.355 5.409 ( -3.950 -2.373 -0.703) 4.662 5.987 ( -3.589 -7.919 8.660) 12.271 6.764 ( -3.869 1.504 -1.701) 4.486 7.556 ( 0.083 -2.061 -2.751) 3.438 7.767 ( 0.729 0.825 0.768) 1.342 10.341 ( 6.123 4.131 1.116) 7.470 10.914 ( -0.497 -2.971 -2.135) 3.692 11.597 ( 14.340 3.687 -2.497) 15.016 13.844 ( -4.995 2.130 -0.310) 5.439 15.352 ( 2.640 4.153 2.010) 5.316 15.869 ( -3.870 -5.715 -1.655) 7.098======================= Grid point 507 (97/192) =======================q-point: (-0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( -14.465 4.657 1.134) 15.238 2.850 ( -12.201 -3.577 -3.767) 13.261 3.671 ( -2.279 -3.881 -3.066) 5.445 3.810 ( -9.252 3.422 -2.356) 10.142 5.256 ( -9.688 -3.966 0.067) 10.468 5.758 ( -9.898 -11.216 8.831) 17.371 6.686 ( -5.680 0.102 -1.525) 5.882 7.511 ( -1.875 -3.029 -5.540) 6.587 7.755 ( -1.507 -1.965 -0.734) 2.583 10.553 ( 10.903 6.465 0.410) 12.682 10.935 ( 5.517 0.389 -0.140) 5.532 11.957 ( 19.613 4.999 -2.993) 20.460 13.756 ( -5.965 0.355 -0.211) 5.979 15.447 ( 2.003 6.244 1.362) 6.697 15.745 ( -3.729 -5.612 0.356) 6.747======================= Grid point 508 (98/192) =======================q-point: (-0.33 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( -17.819 2.752 5.406) 18.823 2.575 ( -14.286 -4.746 0.753) 15.073 3.540 ( -7.175 -4.916 -6.937) 11.125 3.641 ( -11.990 0.932 -5.473) 13.213 4.957 ( -18.696 -6.613 3.525) 20.141 5.468 ( -8.253 -9.965 5.507) 14.062 6.572 ( -6.389 -0.737 -1.277) 6.557 7.428 ( -4.219 -3.605 -7.074) 8.991 7.689 ( -1.311 -3.736 -3.842) 5.517 10.839 ( 13.171 6.177 -0.233) 14.550 11.134 ( 13.654 4.841 3.759) 14.966 12.368 ( 21.250 3.016 -4.978) 22.033 13.651 ( -5.471 -0.243 -0.398) 5.491 15.552 ( 1.119 8.777 -0.513) 8.863 15.607 ( -5.302 -6.196 4.510) 9.319======================= Grid point 509 (99/192) =======================q-point: (-0.27 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( -18.938 1.053 10.276) 21.572 2.229 ( -18.551 -5.582 6.024) 20.287 3.308 ( -13.751 -4.437 -8.937) 16.990 3.428 ( -10.852 -1.127 -4.976) 11.992 4.463 ( -26.585 -8.265 7.221) 28.762 5.290 ( -2.732 -6.167 -1.979) 7.029 6.451 ( -5.951 -0.996 -1.011) 6.118 7.253 ( -10.708 -5.110 -9.471) 15.182 7.695 ( 6.816 -2.406 -3.241) 7.921 11.130 ( 13.065 3.898 0.026) 13.634 11.502 ( 19.569 7.587 7.859) 22.411 12.755 ( 20.827 -1.746 -8.095) 22.413 13.571 ( -3.652 1.014 -1.291) 4.004 15.399 ( -9.784 -8.603 2.083) 13.194 15.683 ( 1.097 12.881 4.632) 13.732======================= Grid point 510 (100/192) =======================q-point: (-0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( -18.043 0.849 15.389) 23.730 1.816 ( -20.811 -4.622 12.616) 24.771 2.964 ( -20.206 -2.909 1.434) 20.465 3.241 ( -7.807 -2.691 -6.648) 10.602 3.896 ( -27.668 -5.018 5.148) 28.587 5.227 ( 0.865 -3.539 -10.050) 10.690 6.346 ( -4.697 -0.845 -0.787) 4.837 6.958 ( -15.695 -5.052 -11.328) 20.005 7.907 ( 19.340 -0.601 2.623) 19.526 11.365 ( 10.404 0.393 1.010) 10.460 11.951 ( 20.405 7.953 9.706) 23.955 13.053 ( 17.795 -8.226 -10.505) 22.241 13.549 ( -1.201 3.021 -3.227) 4.581 15.062 ( -17.627 -9.627 1.897) 20.174 15.873 ( 4.186 15.540 6.960) 17.534======================= Grid point 515 (101/192) =======================q-point: ( 0.13 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 12.694 16.415 12.234) 24.089 2.164 ( 9.838 17.965 7.012) 21.649 3.273 ( 6.669 10.342 -8.296) 14.841 3.426 ( 9.674 13.343 -6.908) 17.870 4.377 ( 14.266 23.992 8.683) 29.232 5.156 ( -6.164 2.406 -3.980) 7.722 6.439 ( 2.886 5.679 -0.817) 6.423 7.172 ( 4.062 11.453 -10.183) 15.854 7.608 ( -9.802 -5.496 -2.161) 11.443 11.155 ( -7.334 -10.008 -0.302) 12.411 11.597 ( -10.973 -19.703 9.600) 24.511 12.671 ( -12.298 -12.999 -7.723) 19.490 13.602 ( 2.623 1.517 -2.160) 3.721 15.214 ( -2.371 13.088 3.493) 13.752 16.000 ( 12.986 -9.388 2.701) 16.250======================= Grid point 516 (102/192) =======================q-point: ( 0.20 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.455 ( 9.979 17.427 9.288) 22.125 2.516 ( 10.844 13.829 2.803) 17.796 3.437 ( 3.611 7.418 -5.921) 10.155 3.806 ( 14.861 11.692 -14.356) 23.742 4.866 ( 14.698 18.929 10.964) 26.354 5.079 ( -4.950 4.157 1.124) 6.561 6.560 ( 3.312 6.675 -0.900) 7.506 7.310 ( 1.159 3.983 -6.982) 8.122 7.477 ( -3.021 4.461 -4.783) 7.204 10.909 ( -8.642 -9.429 -1.245) 12.851 11.214 ( -11.593 -13.514 5.920) 18.764 12.333 ( -9.905 -14.947 -4.220) 18.421 13.684 ( 3.445 4.019 -1.014) 5.390 15.262 ( -4.065 8.227 2.651) 9.551 16.105 ( 9.209 -9.376 1.262) 13.203======================= Grid point 517 (103/192) =======================q-point: ( 0.27 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.770 ( 4.934 16.985 4.926) 18.360 2.826 ( 10.092 10.084 -0.155) 14.267 3.574 ( 4.339 5.378 -2.125) 7.229 4.102 ( 4.375 9.127 -14.472) 17.660 5.073 ( 1.850 6.505 5.008) 8.416 5.314 ( 15.165 11.157 8.766) 20.767 6.687 ( 2.723 7.183 -1.021) 7.749 7.334 ( 0.371 2.371 -2.019) 3.136 7.549 ( 2.096 6.394 -5.858) 8.921 10.661 ( -9.291 -7.579 -1.279) 12.058 10.937 ( -6.377 -7.909 2.160) 10.387 12.000 ( -9.896 -15.409 -1.982) 18.420 13.802 ( 3.412 6.415 -0.388) 7.277 15.255 ( -3.864 5.133 1.772) 6.665 16.131 ( 4.614 -9.548 0.256) 10.607======================= Grid point 518 (104/192) =======================q-point: ( 0.33 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.963 ( -1.388 14.165 -0.029) 14.233 3.087 ( 8.948 7.420 -1.802) 11.763 3.687 ( 3.051 2.246 1.776) 4.185 4.157 ( -7.891 11.430 -7.731) 15.896 5.233 ( 8.123 3.936 0.815) 9.063 5.651 ( 13.458 3.953 8.283) 16.289 6.797 ( 1.090 7.043 -1.149) 7.219 7.392 ( 3.151 2.130 1.401) 4.053 7.648 ( 2.189 5.115 -4.286) 7.024 10.433 ( -8.058 -5.380 -0.314) 9.694 10.832 ( 0.588 -3.034 -0.645) 3.157 11.673 ( -9.293 -14.057 -1.251) 16.897 13.922 ( 1.341 7.867 -0.308) 7.987 15.245 ( -1.905 3.541 1.598) 4.327 16.079 ( 0.810 -9.372 -0.901) 9.450======================= Grid point 519 (105/192) =======================q-point: ( 0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.023 ( -5.484 10.183 -2.012) 11.740 3.279 ( 3.892 6.040 -4.023) 8.235 3.701 ( -2.383 -0.403 3.956) 4.635 4.132 ( -8.576 13.639 -2.934) 16.376 5.384 ( 5.238 0.818 -0.904) 5.378 5.861 ( 9.412 -3.454 7.046) 12.254 6.863 ( -1.414 6.021 -1.309) 6.322 7.470 ( 3.904 -0.312 2.056) 4.423 7.729 ( 1.329 4.283 -1.361) 4.686 10.290 ( -3.177 -1.992 0.253) 3.758 10.866 ( 4.056 -0.884 -1.469) 4.404 11.413 ( -4.364 -9.999 -1.527) 11.016 13.995 ( -2.426 7.479 -0.436) 7.875 15.271 ( 0.862 3.569 1.721) 4.055 15.977 ( -1.522 -8.762 -1.754) 9.064======================= Grid point 520 (106/192) =======================q-point: (-0.53 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.990 ( -8.057 7.272 -1.344) 10.936 3.301 ( -9.318 5.836 -4.706) 11.959 3.654 ( 0.232 -2.184 3.299) 3.963 4.117 ( -8.391 11.570 -1.873) 14.415 5.427 ( -0.097 -1.197 -1.029) 1.581 5.904 ( 2.682 -9.312 6.832) 11.857 6.866 ( -4.108 4.195 -1.376) 6.030 7.511 ( 2.222 -2.538 -0.369) 3.394 7.776 ( -0.081 2.222 1.264) 2.558 10.290 ( 3.265 1.801 0.255) 3.737 10.885 ( -0.126 -3.548 -1.429) 3.828 11.391 ( 9.540 -1.699 -1.607) 9.822 13.984 ( -6.051 5.289 -0.380) 8.046 15.350 ( 2.869 5.099 1.231) 5.979 15.855 ( -2.361 -7.861 -1.427) 8.331======================= Grid point 521 (107/192) =======================q-point: (-0.47 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( -10.697 5.673 1.086) 12.157 3.101 ( -17.181 3.939 -2.158) 17.759 3.646 ( 0.802 -3.381 -1.195) 3.675 4.052 ( -10.808 8.692 -3.539) 14.314 5.361 ( -5.315 -1.976 -0.592) 5.701 5.767 ( -4.937 -12.862 7.795) 15.830 6.806 ( -6.246 2.231 -1.294) 6.757 7.496 ( -0.252 -3.565 -3.278) 4.849 7.766 ( -1.785 -0.981 0.865) 2.213 10.434 ( 8.838 4.407 -0.324) 9.881 10.854 ( 2.150 -2.552 -0.691) 3.408 11.653 ( 17.770 1.669 -1.342) 17.899 13.897 ( -7.933 2.658 -0.201) 8.369 15.471 ( 3.417 7.044 -0.814) 7.871 15.736 ( -2.527 -6.654 1.230) 7.223======================= Grid point 522 (108/192) =======================q-point: (-0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.715 ( -16.020 5.442 5.819) 17.892 2.807 ( -17.159 0.062 -1.051) 17.191 3.591 ( -3.269 -3.371 -5.353) 7.121 3.909 ( -13.719 5.954 -6.727) 16.399 5.194 ( -12.035 -1.710 1.147) 12.210 5.494 ( -8.583 -13.812 8.168) 18.198 6.697 ( -7.389 0.728 -1.124) 7.509 7.439 ( -1.670 -3.725 -5.393) 6.763 7.692 ( -3.473 -3.927 -2.130) 5.658 10.669 ( 11.770 4.119 -1.355) 12.543 10.950 ( 9.996 0.997 2.121) 10.267 12.012 ( 20.244 0.710 -2.136) 20.369 13.772 ( -7.690 1.045 -0.320) 7.767 15.570 ( 0.219 -3.584 -7.041) 7.904 15.664 ( -0.515 6.939 9.013) 11.386======================= Grid point 523 (109/192) =======================q-point: (-0.33 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.419 ( -21.324 3.821 9.160) 23.521 2.507 ( -16.525 -1.603 2.414) 16.777 3.461 ( -7.790 -2.316 -8.117) 11.486 3.691 ( -16.102 3.946 -9.165) 18.943 4.857 ( -23.041 -2.516 6.898) 24.183 5.257 ( -3.220 -10.076 2.727) 10.924 6.566 ( -7.381 -0.128 -0.938) 7.441 7.354 ( -4.843 -3.184 -7.470) 9.455 7.590 ( -0.741 -5.590 -4.264) 7.070 10.922 ( 13.072 1.646 -1.346) 13.244 11.220 ( 17.354 2.672 5.829) 18.500 12.368 ( 19.882 -1.915 -4.336) 20.439 13.661 ( -5.579 1.028 -1.048) 5.768 15.439 ( -5.081 -8.902 0.936) 10.293 15.812 ( 1.572 14.627 3.226) 15.061======================= Grid point 531 (110/192) =======================q-point: ( 0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( 8.267 11.102 2.316) 14.034 2.834 ( 10.142 18.130 5.857) 21.584 3.556 ( 2.362 3.809 -5.319) 6.955 4.038 ( 12.986 10.736 -11.867) 20.609 5.188 ( 1.888 7.226 1.286) 7.578 5.236 ( 1.009 15.210 10.167) 18.323 6.704 ( 3.847 7.108 -0.834) 8.125 7.370 ( -1.514 2.717 -4.376) 5.369 7.607 ( -0.626 6.743 -3.774) 7.753 10.709 ( -6.008 -9.895 -2.239) 11.791 10.962 ( -6.397 -10.396 3.150) 12.607 12.010 ( -9.869 -16.306 -1.509) 19.120 13.794 ( 4.817 6.553 -0.460) 8.146 15.410 ( -6.328 6.129 -0.343) 8.816 15.904 ( 8.832 -9.737 2.384) 13.360======================= Grid point 532 (111/192) =======================q-point: ( 0.27 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.011 ( 8.019 7.952 -1.161) 11.353 3.133 ( 1.980 17.377 4.893) 18.161 3.639 ( 4.365 1.331 -0.145) 4.566 4.325 ( 4.900 11.880 -10.977) 16.901 5.202 ( -0.930 5.868 3.523) 6.908 5.491 ( 9.074 5.620 6.001) 12.245 6.841 ( 2.801 7.558 -0.659) 8.088 7.381 ( 0.148 1.692 -1.145) 2.048 7.679 ( 0.978 6.137 -2.038) 6.540 10.501 ( -6.777 -7.984 -1.785) 10.623 10.808 ( -2.010 -4.082 0.599) 4.589 11.678 ( -8.764 -15.588 -0.117) 17.883 13.957 ( 4.322 8.323 -0.220) 9.380 15.355 ( -5.490 4.563 -0.439) 7.153 15.924 ( 4.925 -10.139 1.015) 11.318======================= Grid point 533 (112/192) =======================q-point: ( 0.33 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.183 ( 0.894 6.288 -3.776) 7.389 3.286 ( 1.345 11.442 3.238) 11.968 3.724 ( 1.740 2.406 5.232) 6.016 4.442 ( -6.810 15.238 -7.441) 18.274 5.290 ( 5.449 1.730 0.319) 5.726 5.657 ( 8.252 -3.465 4.568) 10.048 6.949 ( 0.154 7.549 -0.581) 7.573 7.405 ( 2.093 -1.049 0.822) 2.481 7.759 ( 1.046 5.378 0.522) 5.503 10.326 ( -4.566 -4.868 -1.152) 6.773 10.799 ( 2.625 -0.005 -0.550) 2.682 11.389 ( -6.365 -13.243 -0.011) 14.693 14.097 ( 0.920 8.560 -0.415) 8.620 15.325 ( -2.572 4.269 0.264) 4.991 15.878 ( 1.695 -9.932 -0.406) 10.084======================= Grid point 534 (113/192) =======================q-point: ( 0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.179 ( -6.135 5.022 -2.481) 8.307 3.435 ( 3.239 7.184 0.679) 7.909 3.708 ( -6.531 1.786 6.878) 9.652 4.433 ( -10.987 15.181 -5.724) 19.594 5.388 ( 3.658 -0.091 -1.251) 3.868 5.716 ( 6.345 -10.305 4.076) 12.770 6.990 ( -3.583 6.107 -0.682) 7.113 7.432 ( 3.185 -3.121 0.788) 4.528 7.813 ( -0.530 3.417 2.575) 4.311 10.258 ( 0.684 -1.143 -0.962) 1.643 10.852 ( 1.264 -0.506 -0.444) 1.432 11.232 ( 3.048 -7.193 -0.454) 7.826 14.146 ( -4.404 6.641 -0.563) 7.988 15.363 ( 1.329 5.317 0.510) 5.504 15.790 ( -0.199 -9.043 -0.896) 9.089======================= Grid point 536 (114/192) =======================q-point: (-0.53 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( -8.098 3.357 -1.497) 8.893 3.482 ( -14.358 9.617 4.712) 17.912 3.581 ( 1.001 -4.508 0.987) 4.722 4.368 ( -12.338 12.107 -6.257) 18.384 5.402 ( -1.262 -1.465 -0.720) 2.063 5.669 ( 1.325 -12.116 4.977) 13.165 6.949 ( -6.378 3.435 -0.728) 7.280 7.446 ( 1.893 -3.446 -0.805) 4.014 7.804 ( -2.676 0.402 2.436) 3.640 10.327 ( 6.513 1.542 -1.153) 6.792 10.815 ( -1.152 -2.841 -0.477) 3.102 11.369 ( 14.503 -0.465 -0.122) 14.511 14.081 ( -8.428 3.730 -0.327) 9.223 15.468 ( 3.531 5.030 -1.754) 6.391 15.700 ( -0.558 -5.775 1.428) 5.975======================= Grid point 537 (115/192) =======================q-point: (-0.47 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.959 ( -10.286 2.221 -0.254) 10.526 3.198 ( -20.425 2.044 6.327) 21.480 3.595 ( 0.023 -0.246 -3.248) 3.257 4.236 ( -14.217 8.271 -8.420) 18.478 5.321 ( -4.540 -3.377 0.598) 5.690 5.509 ( -7.011 -9.196 7.181) 13.612 6.843 ( -7.759 1.111 -0.777) 7.876 7.423 ( -0.562 -3.162 -2.683) 4.185 7.730 ( -4.329 -2.386 -0.241) 4.949 10.502 ( 10.395 1.783 -1.799) 10.699 10.816 ( 4.446 -1.060 0.609) 4.611 11.672 ( 18.374 0.418 -0.176) 18.380 13.943 ( -9.547 1.603 -0.160) 9.682 15.509 ( 0.435 -6.324 -4.270) 7.643 15.725 ( 2.877 8.321 4.720) 9.990======================= Grid point 548 (116/192) =======================q-point: ( 0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.154 ( 6.551 6.000 -1.765) 9.057 3.439 ( -3.052 9.971 3.356) 10.954 3.665 ( 8.392 2.936 5.562) 10.487 4.559 ( 10.238 10.119 -9.373) 17.177 5.312 ( -4.694 4.818 2.108) 7.049 5.538 ( 1.069 -0.989 2.646) 3.020 6.990 ( 3.922 6.599 -0.202) 7.679 7.391 ( -1.868 -0.746 -0.391) 2.049 7.793 ( 1.215 4.657 1.975) 5.203 10.344 ( -3.951 -6.774 -1.842) 8.055 10.779 ( 0.200 1.260 -0.120) 1.282 11.370 ( -7.415 -13.917 0.665) 15.783 14.127 ( 5.039 7.678 -0.340) 9.190 15.442 ( -4.986 3.609 -2.134) 6.515 15.729 ( 3.354 -8.242 1.841) 9.087======================= Grid point 549 (117/192) =======================q-point: ( 0.33 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.291 ( 0.815 4.790 -2.491) 5.460 3.430 ( -0.616 1.641 0.999) 2.017 3.817 ( 0.732 6.011 11.439) 12.943 4.755 ( -3.893 14.398 -8.193) 17.017 5.315 ( 2.848 1.012 -0.024) 3.022 5.515 ( 2.835 -9.671 0.996) 10.127 7.102 ( -0.198 7.173 0.131) 7.177 7.350 ( 0.794 -4.134 0.713) 4.269 7.852 ( 0.309 3.285 3.882) 5.094 10.242 ( -1.319 -3.069 -1.913) 3.850 10.837 ( 2.252 3.722 0.059) 4.350 11.138 ( -3.160 -10.846 0.582) 11.312 14.252 ( 0.352 5.890 -0.738) 5.947 15.423 ( -1.892 5.210 -0.404) 5.558 15.682 ( 1.541 -8.721 0.002) 8.856======================= Grid point 550 (118/192) =======================q-point: (-0.60 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.260 ( -6.697 3.169 -1.787) 7.621 3.485 ( 4.244 -1.854 -0.171) 4.635 3.789 ( -9.316 4.434 11.942) 15.782 4.724 ( -12.973 11.355 -8.041) 19.024 5.384 ( 0.922 -2.055 -0.475) 2.302 5.483 ( 6.946 -8.447 1.271) 11.010 7.099 ( -6.202 3.789 0.099) 7.269 7.358 ( 3.975 -3.191 0.512) 5.123 7.859 ( -2.231 0.933 4.135) 4.790 10.242 ( 3.343 -0.406 -1.913) 3.873 10.843 ( -3.981 -0.454 0.106) 4.008 11.131 ( 10.527 -2.274 0.530) 10.783 14.248 ( -5.655 2.857 -0.715) 6.376 15.469 ( 0.459 3.093 -1.097) 3.314 15.633 ( 2.290 -4.277 0.655) 4.895======================= Grid point 564 (119/192) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 309Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.388 ( -2.111 -4.222 -0.944) 4.814 3.388 ( 2.111 4.222 -0.944) 4.814 3.895 ( -0.000 -0.000 13.973) 13.973 4.954 ( -0.000 -0.000 -8.466) 8.466 5.343 ( -0.841 -1.682 -0.350) 1.913 5.343 ( 0.841 1.682 -0.350) 1.913 7.241 ( -2.816 -5.632 0.660) 6.331 7.241 ( 2.816 5.632 0.660) 6.331 7.886 ( -0.000 -0.000 4.956) 4.956 10.209 ( -0.000 -0.000 -2.241) 2.241 10.950 ( -3.239 -6.477 0.561) 7.263 10.950 ( 3.239 6.477 0.561) 7.263 14.316 ( -0.000 -0.000 -0.973) 0.973 15.534 ( -2.387 -4.773 -0.178) 5.340 15.534 ( 2.387 4.773 -0.178) 5.340======================= Grid point 723 (120/192) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -0.000 0.000 20.480) 20.480 1.660 ( 0.000 0.000 20.480) 20.480 2.737 ( -0.000 0.000 36.836) 36.836 2.811 ( 0.000 -0.000 -10.988) 10.988 2.811 ( -0.000 -0.000 -10.988) 10.988 4.819 ( -0.000 -0.000 -25.013) 25.013 6.207 ( 0.000 -0.000 -0.363) 0.363 6.207 ( 0.000 0.000 -0.363) 0.363 10.016 ( 0.000 0.000 1.720) 1.720 11.682 ( 0.000 0.000 2.596) 2.596 11.682 ( 0.000 -0.000 2.596) 2.596 13.490 ( 0.000 -0.000 -1.940) 1.940 13.490 ( 0.000 0.000 -1.940) 1.940 14.098 ( -0.000 0.000 -0.496) 0.496 16.548 ( -0.000 0.000 0.502) 0.502======================= Grid point 724 (121/192) =======================q-point: ( 0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 5.069 2.927 22.801) 23.541 1.746 ( 5.746 3.317 18.713) 19.854 2.661 ( 0.812 0.469 6.924) 6.987 2.823 ( 1.943 1.122 -10.256) 10.498 3.158 ( 20.303 11.722 11.764) 26.230 4.836 ( 1.346 0.777 -22.332) 22.386 6.221 ( 1.293 0.747 -0.309) 1.525 6.314 ( 8.377 4.837 -1.785) 9.837 9.260 ( -45.074 -26.024 5.478) 52.335 11.615 ( -4.608 -2.661 3.020) 6.118 12.217 ( 25.588 14.773 -0.545) 29.551 13.293 ( -15.954 -9.211 -1.577) 18.489 13.511 ( 0.885 0.511 -2.416) 2.624 14.275 ( 14.529 8.388 -0.359) 16.781 16.433 ( -7.421 -4.285 1.277) 8.664======================= Grid point 725 (122/192) =======================q-point: ( 0.13 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 11.531 6.658 22.626) 26.253 1.921 ( 8.702 5.024 15.083) 18.123 2.780 ( 8.675 5.009 -7.707) 12.639 2.903 ( 4.743 2.738 -8.325) 9.964 3.713 ( 25.613 14.788 12.853) 32.247 4.878 ( 2.013 1.162 -15.173) 15.350 6.268 ( 2.693 1.555 -0.341) 3.129 6.568 ( 12.110 6.992 -3.790) 14.488 8.285 ( -34.447 -19.888 4.880) 40.074 11.466 ( -7.881 -4.550 2.618) 9.469 12.533 ( -2.842 -1.641 10.138) 10.656 12.802 ( -19.202 -11.086 -9.782) 24.234 13.535 ( 1.195 0.690 -2.251) 2.640 14.693 ( 17.478 10.091 1.702) 20.253 16.296 ( -3.045 -1.758 -1.350) 3.766======================= Grid point 726 (123/192) =======================q-point: ( 0.20 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( 9.591 5.537 9.814) 14.797 2.215 ( 13.689 7.903 17.150) 23.323 3.048 ( 7.438 4.294 -4.926) 9.900 3.054 ( 13.921 8.037 -17.302) 23.616 4.341 ( 26.490 15.294 11.903) 32.822 4.928 ( 2.224 1.284 -5.862) 6.400 6.348 ( 3.920 2.263 -0.450) 4.549 6.859 ( 11.892 6.866 -4.576) 14.474 7.654 ( -18.757 -10.829 2.550) 21.808 11.245 ( -10.541 -6.086 1.745) 12.296 12.020 ( -27.369 -15.802 9.197) 32.914 12.618 ( -6.072 -3.506 -6.801) 9.767 13.572 ( 2.032 1.173 -1.678) 2.884 15.015 ( 9.303 5.371 4.282) 11.564 16.281 ( 0.913 0.527 -5.340) 5.443======================= Grid point 727 (124/192) =======================q-point: ( 0.27 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( 8.244 4.760 3.761) 10.236 2.522 ( 11.818 6.823 8.622) 16.142 3.253 ( 9.653 5.573 -0.767) 11.173 3.409 ( 14.708 8.492 -19.233) 25.658 4.906 ( 14.448 8.342 4.528) 17.287 5.033 ( 13.161 7.598 8.313) 17.322 6.451 ( 4.626 2.671 -0.596) 5.375 7.118 ( 9.672 5.584 -4.203) 11.933 7.372 ( -5.536 -3.196 2.344) 6.809 10.974 ( -11.980 -6.917 0.973) 13.868 11.432 ( -21.024 -12.138 4.932) 24.772 12.413 ( -10.969 -6.333 -3.500) 13.141 13.633 ( 2.983 1.722 -1.075) 3.609 15.158 ( 3.464 2.000 4.739) 6.201 16.298 ( -0.121 -0.070 -6.929) 6.930======================= Grid point 728 (125/192) =======================q-point: ( 0.33 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 5.581 3.222 -1.084) 6.535 2.776 ( 9.490 5.479 0.683) 10.980 3.494 ( 10.179 5.877 2.259) 11.969 3.685 ( 7.486 4.322 -13.956) 16.416 5.075 ( 7.064 4.079 2.917) 8.663 5.516 ( 20.123 11.618 11.515) 25.933 6.561 ( 4.484 2.589 -0.755) 5.232 7.313 ( 6.771 3.909 -1.585) 7.977 7.358 ( 3.533 2.040 1.975) 4.533 10.691 ( -11.427 -6.597 0.688) 13.213 11.043 ( -11.570 -6.680 1.450) 13.438 12.111 ( -14.014 -8.091 -2.484) 16.372 13.710 ( 3.338 1.927 -0.681) 3.915 15.211 ( 1.508 0.871 4.254) 4.596 16.261 ( -2.955 -1.706 -6.940) 7.733======================= Grid point 729 (126/192) =======================q-point: ( 0.40 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.624 ( 2.784 1.607 -3.576) 4.809 2.965 ( 6.090 3.516 -5.440) 8.890 3.716 ( 8.050 4.648 3.235) 9.843 3.767 ( 0.416 0.240 -4.356) 4.382 5.265 ( 7.942 4.586 1.219) 9.252 5.928 ( 14.218 8.209 9.747) 19.093 6.656 ( 3.365 1.943 -0.948) 3.999 7.445 ( 4.011 2.316 -3.132) 5.591 7.495 ( 7.392 4.268 4.997) 9.891 10.450 ( -8.399 -4.849 0.869) 9.737 10.879 ( -2.485 -1.435 -0.717) 2.958 11.768 ( -14.234 -8.218 -2.488) 16.623 13.783 ( 2.616 1.511 -0.487) 3.060 15.245 ( 1.523 0.879 3.686) 4.084 16.164 ( -4.962 -2.865 -6.019) 8.310======================= Grid point 730 (127/192) =======================q-point: ( 0.47 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.659 ( 0.171 0.099 -4.017) 4.021 3.046 ( 0.415 0.240 -8.329) 8.342 3.759 ( -0.309 -0.178 2.341) 2.368 3.859 ( 3.746 2.163 2.775) 5.139 5.409 ( 3.616 2.088 -0.295) 4.186 6.177 ( 6.434 3.715 7.459) 10.527 6.714 ( 1.405 0.811 -1.193) 2.014 7.505 ( 1.157 0.668 -4.202) 4.409 7.668 ( 6.280 3.626 4.935) 8.772 10.309 ( -3.164 -1.827 1.178) 3.839 10.894 ( 2.475 1.429 -1.491) 3.223 11.480 ( -8.460 -4.884 -2.695) 10.133 13.826 ( 0.886 0.512 -0.357) 1.083 15.286 ( 1.872 1.081 2.784) 3.525 16.041 ( -4.988 -2.880 -3.799) 6.899======================= Grid point 731 (128/192) =======================q-point: (-0.47 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( -2.318 -1.338 -2.859) 3.916 2.993 ( -4.349 -2.511 -6.084) 7.889 3.756 ( -0.439 -0.253 2.554) 2.604 3.888 ( -1.363 -0.787 1.508) 2.180 5.428 ( -1.957 -1.130 -1.056) 2.494 6.225 ( -2.491 -1.438 5.316) 6.044 6.720 ( -0.981 -0.566 -1.418) 1.815 7.502 ( -1.320 -0.762 -4.531) 4.780 7.767 ( 1.777 1.026 1.410) 2.490 10.308 ( 3.075 1.776 1.240) 3.761 10.909 ( -1.714 -0.990 -2.139) 2.914 11.462 ( 7.530 4.348 -1.969) 8.916 13.821 ( -1.279 -0.739 -0.171) 1.487 15.329 ( 1.649 0.952 0.836) 2.080 15.942 ( -3.180 -1.836 0.379) 3.691======================= Grid point 732 (129/192) =======================q-point: (-0.40 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( -4.682 -2.703 -0.344) 5.417 2.862 ( -6.298 -3.636 -2.094) 7.567 3.707 ( -4.348 -2.510 -0.219) 5.025 3.799 ( -5.878 -3.394 -0.355) 6.796 5.325 ( -6.485 -3.744 -1.325) 7.605 6.063 ( -10.809 -6.241 3.526) 12.969 6.669 ( -3.152 -1.820 -1.501) 3.937 7.448 ( -3.142 -1.814 -5.055) 6.222 7.750 ( -2.974 -1.717 -3.407) 4.837 10.450 ( 8.635 4.985 0.887) 10.010 10.895 ( 2.256 1.302 -1.533) 3.022 11.755 ( 15.319 8.845 -1.976) 17.799 13.768 ( -3.112 -1.797 0.121) 3.596 15.362 ( 1.112 0.642 -2.173) 2.525 15.891 ( -1.293 -0.747 6.133) 6.312======================= Grid point 733 (130/192) =======================q-point: (-0.33 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.412 ( -6.796 -3.924 3.331) 8.525 2.700 ( -7.322 -4.227 2.244) 8.747 3.531 ( -10.411 -6.011 -4.323) 12.776 3.620 ( -8.852 -5.111 -2.719) 10.577 5.126 ( -10.380 -5.993 0.359) 11.991 5.737 ( -15.703 -9.066 1.021) 18.161 6.576 ( -4.488 -2.591 -1.401) 5.368 7.358 ( -4.545 -2.624 -6.025) 7.990 7.647 ( -4.860 -2.806 -7.047) 9.009 10.702 ( 12.154 7.017 0.239) 14.036 11.055 ( 11.423 6.595 0.769) 13.213 12.139 ( 16.317 9.421 -3.782) 19.218 13.681 ( -4.005 -2.312 0.489) 4.650 15.382 ( 0.436 0.252 -5.173) 5.197 15.867 ( -0.901 -0.520 11.736) 11.782======================= Grid point 734 (131/192) =======================q-point: (-0.27 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.230 ( -8.370 -4.833 7.879) 12.469 2.506 ( -9.260 -5.346 9.067) 14.019 3.232 ( -13.872 -8.009 -10.197) 18.989 3.394 ( -9.813 -5.666 -5.361) 12.536 4.802 ( -17.640 -10.185 5.926) 21.214 5.374 ( -13.623 -7.865 -4.488) 16.358 6.465 ( -4.726 -2.728 -1.178) 5.582 7.200 ( -9.429 -5.444 -7.414) 13.172 7.595 ( 2.278 1.315 -7.048) 7.522 11.007 ( 13.000 7.506 -0.358) 15.016 11.428 ( 19.343 11.168 4.540) 22.792 12.511 ( 14.691 8.482 -7.602) 18.589 13.587 ( -3.713 -2.144 0.790) 4.360 15.362 ( -2.967 -1.713 -7.113) 7.895 15.850 ( -0.116 -0.067 15.441) 15.442======================= Grid point 735 (132/192) =======================q-point: (-0.20 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( -8.816 -5.090 12.777) 16.337 2.251 ( -12.096 -6.983 18.209) 22.949 2.922 ( -11.360 -6.559 -14.201) 19.332 3.169 ( -8.806 -5.084 -7.879) 12.864 4.291 ( -24.483 -14.135 10.992) 30.333 5.110 ( -8.883 -5.129 -10.638) 14.778 6.359 ( -4.040 -2.332 -0.917) 4.754 6.920 ( -13.483 -7.784 -7.243) 17.171 7.799 ( 15.346 8.860 -3.636) 18.089 11.300 ( 11.240 6.489 -0.457) 12.987 11.926 ( 20.883 12.057 9.332) 25.857 12.832 ( 12.392 7.154 -12.851) 19.233 13.512 ( -2.422 -1.398 0.751) 2.895 15.186 ( -12.658 -7.308 -5.264) 15.535 15.902 ( 5.213 3.010 13.704) 14.967======================= Grid point 736 (133/192) =======================q-point: (-0.13 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -7.362 -4.250 17.162) 19.152 1.963 ( -11.160 -6.443 23.191) 26.531 2.711 ( -6.271 -3.621 -8.674) 11.300 2.986 ( -6.483 -3.743 -9.791) 12.325 3.688 ( -25.196 -14.547 13.776) 32.190 4.939 ( -5.555 -3.207 -16.800) 17.983 6.277 ( -2.835 -1.637 -0.680) 3.343 6.590 ( -13.512 -7.801 -5.004) 16.385 8.350 ( 31.398 18.128 1.973) 36.309 11.526 ( 7.592 4.383 0.224) 8.769 12.304 ( 7.634 4.407 9.460) 12.930 13.115 ( 11.826 6.828 -13.570) 19.251 13.475 ( -0.749 -0.432 0.134) 0.875 14.764 ( -21.654 -12.502 -2.404) 25.119 16.105 ( 11.545 6.665 8.660) 15.897======================= Grid point 737 (134/192) =======================q-point: (-0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( -3.707 -2.140 19.980) 20.433 1.752 ( -6.385 -3.687 22.155) 23.350 2.637 ( 0.649 0.375 5.016) 5.072 2.865 ( -3.687 -2.129 -10.825) 11.632 3.140 ( -19.917 -11.499 13.781) 26.811 4.845 ( -2.396 -1.383 -22.546) 22.715 6.225 ( -1.469 -0.848 -0.491) 1.766 6.315 ( -8.787 -5.073 -1.883) 10.320 9.271 ( 43.767 25.269 4.939) 50.778 11.655 ( 3.227 1.863 1.467) 4.005 12.152 ( -20.925 -12.081 1.926) 24.239 13.379 ( 9.119 5.265 -5.289) 11.783 13.473 ( 0.473 0.273 -0.934) 1.082 14.281 ( -15.600 -9.007 -0.723) 18.028 16.399 ( 11.311 6.530 3.158) 13.437======================= Grid point 739 (135/192) =======================q-point: ( 0.07 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( 6.670 7.280 19.525) 21.880 1.886 ( 4.599 10.080 20.892) 23.648 2.695 ( 4.860 4.063 -4.956) 8.043 2.919 ( 0.681 6.932 -9.410) 11.708 3.539 ( 14.902 23.852 13.568) 31.226 4.885 ( 0.366 4.100 -17.968) 18.433 6.258 ( 1.224 2.730 -0.472) 3.029 6.497 ( 6.415 12.325 -3.771) 14.397 8.540 ( -23.170 -36.216 4.412) 43.220 11.542 ( -5.946 -5.476 1.734) 8.267 12.423 ( 8.560 -0.578 5.964) 10.448 13.053 ( -19.077 -12.460 -7.398) 23.957 13.505 ( 2.207 -0.508 -2.235) 3.182 14.608 ( 10.378 21.978 -0.290) 24.307 16.251 ( 0.020 -11.620 3.268) 12.071======================= Grid point 740 (136/192) =======================q-point: ( 0.13 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 10.170 9.312 14.083) 19.709 2.113 ( 8.084 12.040 18.218) 23.285 2.887 ( 10.271 6.129 -13.325) 17.905 3.042 ( 3.788 9.678 -7.922) 13.068 4.103 ( 20.687 22.020 12.360) 32.644 4.936 ( 0.209 4.489 -10.201) 11.147 6.325 ( 2.445 3.903 -0.483) 4.631 6.762 ( 8.833 11.324 -5.008) 15.209 7.860 ( -19.685 -18.837 2.076) 27.325 11.346 ( -8.430 -7.479 1.447) 11.362 12.253 ( -16.576 -21.277 12.660) 29.795 12.672 ( -8.415 -5.122 -11.021) 14.782 13.542 ( 2.271 0.380 -2.094) 3.113 14.977 ( 7.086 15.538 2.638) 17.280 16.198 ( 4.382 -6.923 -1.311) 8.297======================= Grid point 741 (137/192) =======================q-point: ( 0.20 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( 6.905 11.405 7.103) 15.107 2.404 ( 10.535 10.139 12.288) 19.100 3.150 ( 10.419 6.731 -8.431) 14.998 3.276 ( 10.398 12.087 -13.390) 20.821 4.697 ( 21.451 18.444 10.752) 30.265 4.985 ( 0.844 4.142 -1.557) 4.505 6.422 ( 3.212 4.927 -0.564) 5.908 7.024 ( 8.534 8.691 -4.952) 13.148 7.467 ( -9.933 -6.382 1.123) 11.860 11.093 ( -10.241 -8.734 0.717) 13.478 11.670 ( -21.573 -17.445 6.962) 28.605 12.486 ( -6.829 -9.093 -4.711) 12.309 13.600 ( 2.987 1.921 -1.444) 3.834 15.167 ( 1.265 8.328 4.477) 9.540 16.228 ( 4.834 -5.164 -5.002) 8.664======================= Grid point 742 (138/192) =======================q-point: ( 0.27 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( 3.313 11.917 1.856) 12.508 2.675 ( 9.291 7.921 4.259) 12.931 3.397 ( 9.156 7.748 -0.716) 12.015 3.600 ( 10.298 10.309 -15.641) 21.377 5.029 ( 3.002 5.441 2.372) 6.652 5.268 ( 20.600 12.445 11.185) 26.540 6.536 ( 3.261 5.497 -0.673) 6.427 7.235 ( 6.854 5.311 -3.088) 9.204 7.356 ( -0.722 2.091 1.374) 2.604 10.814 ( -10.677 -8.388 0.180) 13.579 11.191 ( -15.003 -11.132 3.200) 18.954 12.227 ( -10.194 -11.292 -2.549) 15.425 13.685 ( 3.122 3.716 -0.878) 4.933 15.228 ( -0.830 4.116 4.383) 6.070 16.236 ( 1.809 -5.517 -6.190) 8.487======================= Grid point 743 (139/192) =======================q-point: ( 0.33 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( -0.395 11.522 -1.285) 11.600 2.897 ( 7.144 6.312 -2.243) 9.794 3.625 ( 7.854 5.816 1.538) 9.893 3.799 ( 1.620 7.759 -8.723) 11.786 5.173 ( 7.098 4.921 2.468) 8.982 5.718 ( 17.560 7.464 9.896) 21.494 6.644 ( 2.398 5.431 -0.804) 5.991 7.384 ( 5.607 2.819 0.682) 6.313 7.443 ( 4.216 6.101 0.276) 7.421 10.555 ( -9.460 -6.488 0.265) 11.474 10.918 ( -5.958 -5.418 0.394) 8.063 11.904 ( -12.235 -11.670 -2.057) 17.032 13.779 ( 2.078 5.020 -0.572) 5.463 15.246 ( -0.274 2.152 3.834) 4.406 16.177 ( -1.465 -6.081 -6.044) 8.698======================= Grid point 744 (140/192) =======================q-point: ( 0.40 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.757 ( -3.703 10.917 -2.159) 11.728 3.044 ( 2.574 4.386 -7.070) 8.709 3.750 ( 1.713 0.477 1.054) 2.067 3.881 ( -0.142 8.789 0.490) 8.804 5.343 ( 6.295 2.698 0.444) 6.863 6.033 ( 12.172 1.574 7.940) 14.618 6.725 ( 0.648 4.672 -0.985) 4.818 7.480 ( 2.820 0.989 -2.352) 3.803 7.605 ( 5.860 6.258 4.072) 9.491 10.361 ( -5.728 -3.770 0.700) 6.893 10.855 ( 1.773 -0.845 -0.989) 2.199 11.579 ( -10.635 -9.775 -2.286) 14.625 13.852 ( -0.097 5.220 -0.420) 5.238 15.271 ( 1.049 1.524 3.147) 3.651 16.070 ( -3.141 -5.939 -4.765) 8.237======================= Grid point 745 (141/192) =======================q-point: ( 0.47 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( -6.748 10.413 -1.536) 12.502 3.064 ( -3.991 1.974 -8.050) 9.200 3.752 ( -0.118 -0.644 3.067) 3.136 3.946 ( -2.200 5.909 1.507) 6.483 5.426 ( 1.416 -0.366 -0.762) 1.649 6.173 ( 4.807 -4.145 5.831) 8.619 6.758 ( -1.670 3.334 -1.198) 3.916 7.509 ( 0.113 -0.459 -3.394) 3.427 7.743 ( 3.126 3.495 2.954) 5.542 10.288 ( 0.099 -0.286 0.941) 0.989 10.901 ( 1.581 -0.986 -1.554) 2.427 11.396 ( 0.441 -2.845 -2.117) 3.574 13.876 ( -2.714 4.173 -0.241) 4.983 15.313 ( 1.668 1.603 1.720) 2.883 15.960 ( -2.591 -4.863 -1.792) 5.794======================= Grid point 747 (142/192) =======================q-point: (-0.47 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.730 ( -9.956 10.099 -0.081) 14.181 2.961 ( -7.684 -0.412 -4.814) 9.077 3.727 ( -1.497 -2.783 1.629) 3.555 3.912 ( -6.669 3.026 0.133) 7.325 5.388 ( -3.834 -2.528 -1.400) 4.801 6.116 ( -3.670 -8.899 4.194) 10.500 6.733 ( -3.998 1.761 -1.346) 4.572 7.478 ( -2.183 -1.648 -3.928) 4.787 7.775 ( -1.319 -0.328 -1.015) 1.696 10.360 ( 6.139 3.143 0.753) 6.938 10.874 ( -0.192 -1.990 -1.810) 2.697 11.557 ( 14.004 4.448 -1.425) 14.763 13.841 ( -4.858 2.324 0.033) 5.385 15.358 ( 1.186 2.066 -1.013) 2.589 15.888 ( -0.724 -3.323 3.189) 4.663======================= Grid point 748 (143/192) =======================q-point: (-0.40 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( -13.302 8.877 1.942) 16.110 2.804 ( -8.027 -1.999 -0.286) 8.277 3.618 ( -6.196 -5.761 -1.740) 8.637 3.774 ( -10.677 0.550 -1.938) 10.866 5.248 ( -8.223 -3.305 -0.989) 8.917 5.872 ( -11.047 -11.845 2.732) 16.426 6.656 ( -5.687 0.415 -1.340) 5.857 7.403 ( -3.627 -2.519 -4.727) 6.469 7.698 ( -4.631 -3.356 -5.269) 7.776 10.558 ( 10.759 5.115 0.107) 11.914 10.931 ( 7.530 2.310 -0.262) 7.881 11.904 ( 17.853 5.325 -2.157) 18.755 13.758 ( -5.859 0.442 0.327) 5.885 15.397 ( 0.261 2.850 -4.232) 5.109 15.859 ( 0.328 -2.118 8.830) 9.087======================= Grid point 749 (144/192) =======================q-point: (-0.33 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( -14.803 5.418 5.068) 16.558 2.635 ( -9.135 -1.860 5.304) 10.726 3.387 ( -11.724 -7.353 -7.047) 15.530 3.557 ( -12.626 -1.490 -4.277) 13.413 5.019 ( -14.163 -3.992 2.637) 14.949 5.517 ( -13.457 -11.830 -0.604) 17.928 6.547 ( -6.307 -0.409 -1.182) 6.430 7.292 ( -6.036 -3.645 -6.179) 9.376 7.581 ( -2.523 -3.564 -6.980) 8.233 10.831 ( 13.501 5.010 -0.532) 14.410 11.200 ( 16.732 7.194 2.687) 18.410 12.271 ( 17.782 3.203 -4.529) 18.627 13.652 ( -5.481 -0.693 0.467) 5.544 15.416 ( -1.897 2.560 -6.362) 7.116 15.849 ( 0.217 -0.410 12.863) 12.871======================= Grid point 750 (145/192) =======================q-point: (-0.27 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( -14.378 2.485 9.456) 17.387 2.422 ( -12.444 -2.731 13.290) 18.410 3.085 ( -13.355 -5.421 -13.300) 19.612 3.313 ( -11.890 -2.582 -6.535) 13.811 4.626 ( -23.896 -6.177 8.848) 26.220 5.206 ( -9.288 -8.013 -6.645) 13.951 6.431 ( -5.831 -0.709 -0.946) 5.949 7.084 ( -11.928 -5.254 -7.329) 14.953 7.611 ( 9.231 -0.341 -5.004) 10.506 11.124 ( 13.820 3.610 -0.570) 14.295 11.650 ( 22.864 9.742 6.857) 25.782 12.589 ( 16.219 -0.954 -8.456) 18.316 13.559 ( -3.953 -0.476 0.142) 3.984 15.339 ( -8.566 -1.612 -4.830) 9.965 15.882 ( 1.945 4.421 11.970) 12.908======================= Grid point 751 (146/192) =======================q-point: (-0.20 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( -12.769 1.457 14.404) 19.304 2.143 ( -14.304 -3.400 19.980) 24.806 2.836 ( -10.335 -1.149 -13.546) 17.078 3.091 ( -9.537 -2.906 -8.430) 13.056 4.083 ( -28.985 -5.081 12.269) 31.882 5.007 ( -6.253 -4.539 -12.084) 14.343 6.331 ( -4.571 -0.642 -0.703) 4.670 6.788 ( -14.860 -4.324 -6.202) 16.673 7.922 ( 25.070 1.969 -0.615) 25.154 11.377 ( 11.482 0.914 0.176) 11.519 12.156 ( 19.894 9.913 11.219) 24.898 12.829 ( 15.667 -6.795 -12.412) 21.112 13.509 ( -1.983 1.054 -0.969) 2.446 15.056 ( -18.853 -5.356 -1.574) 19.662 16.022 ( 6.188 8.357 7.419) 12.773======================= Grid point 756 (147/192) =======================q-point: ( 0.13 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.283 ( 10.587 12.205 9.643) 18.816 2.386 ( 6.487 13.622 14.330) 20.808 3.048 ( 8.250 9.519 -14.638) 19.312 3.273 ( 5.569 12.451 -7.556) 15.593 4.576 ( 15.188 22.782 10.681) 29.390 5.061 ( -2.126 7.717 -5.754) 9.858 6.424 ( 2.946 5.557 -0.665) 6.325 7.008 ( 4.942 11.845 -6.276) 14.287 7.568 ( -9.528 -8.893 -1.687) 13.142 11.151 ( -7.570 -11.276 -0.116) 13.582 11.777 ( -12.506 -23.536 8.216) 27.890 12.523 ( -9.331 -9.470 -6.893) 14.975 13.568 ( 2.854 2.501 -1.254) 3.996 15.264 ( 0.479 11.348 1.702) 11.485 16.043 ( 7.218 -7.507 1.593) 10.536======================= Grid point 757 (148/192) =======================q-point: ( 0.20 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( 7.930 11.864 3.851) 14.781 2.643 ( 5.916 14.366 8.775) 17.843 3.302 ( 9.770 7.421 -8.393) 14.865 3.550 ( 9.367 14.225 -10.184) 19.845 5.067 ( 16.958 15.135 9.313) 24.563 5.094 ( -2.409 7.986 0.111) 8.342 6.544 ( 3.248 6.708 -0.639) 7.480 7.194 ( 4.620 7.118 -4.495) 9.603 7.416 ( -3.379 1.765 -1.246) 4.010 10.889 ( -8.605 -10.739 -0.714) 13.780 11.320 ( -14.039 -16.223 4.503) 21.922 12.261 ( -8.202 -12.403 -2.872) 15.145 13.665 ( 3.866 4.577 -0.895) 6.058 15.322 ( -3.183 6.213 3.358) 7.746 16.091 ( 6.134 -7.614 -2.575) 10.111======================= Grid point 758 (149/192) =======================q-point: ( 0.27 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( 4.453 10.836 -0.544) 11.728 2.876 ( 3.052 14.833 4.208) 15.717 3.539 ( 8.942 5.617 -2.129) 10.772 3.844 ( 6.107 13.241 -10.577) 18.013 5.147 ( 1.358 5.801 2.955) 6.651 5.490 ( 16.035 8.495 8.301) 19.954 6.671 ( 2.534 7.406 -0.633) 7.854 7.322 ( 4.393 3.313 -0.087) 5.503 7.462 ( 1.790 7.560 -1.748) 7.964 10.638 ( -8.233 -8.530 -0.976) 11.895 10.978 ( -8.887 -9.350 1.847) 13.031 11.966 ( -9.697 -13.677 -1.383) 16.822 13.792 ( 3.554 6.679 -0.569) 7.588 15.308 ( -3.344 3.455 3.364) 5.868 16.090 ( 2.778 -8.179 -4.206) 9.607======================= Grid point 759 (150/192) =======================q-point: ( 0.33 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.952 ( -1.286 11.726 -0.826) 11.825 3.061 ( 2.244 11.915 -0.962) 12.163 3.714 ( 4.683 3.460 0.280) 5.829 4.016 ( -1.224 12.562 -5.695) 13.847 5.261 ( 5.433 3.355 1.934) 6.672 5.804 ( 13.698 0.589 6.892) 15.345 6.778 ( 0.755 7.389 -0.685) 7.460 7.424 ( 4.141 0.934 0.535) 4.279 7.599 ( 3.643 8.650 0.717) 9.413 10.425 ( -6.767 -6.098 -0.422) 9.119 10.825 ( -0.996 -3.288 -0.028) 3.435 11.647 ( -10.052 -12.859 -1.235) 16.368 13.915 ( 1.298 7.912 -0.449) 8.031 15.292 ( -1.448 2.287 2.958) 4.009 16.026 ( -0.124 -8.231 -4.286) 9.281======================= Grid point 760 (151/192) =======================q-point: ( 0.40 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.007 ( -4.903 10.091 0.551) 11.233 3.185 ( -2.333 11.334 -5.290) 12.724 3.764 ( -1.306 1.243 2.180) 2.828 4.088 ( -3.958 10.946 -1.399) 11.723 5.373 ( 4.200 0.329 -0.123) 4.214 5.985 ( 9.638 -6.294 5.213) 12.636 6.842 ( -1.800 6.431 -0.795) 6.725 7.480 ( 2.240 -1.060 -0.906) 2.639 7.742 ( 2.617 6.657 2.601) 7.611 10.293 ( -2.314 -2.949 0.055) 3.749 10.844 ( 3.412 -0.217 -0.684) 3.487 11.382 ( -5.230 -8.951 -1.471) 10.471 13.987 ( -2.347 7.483 -0.330) 7.849 15.309 ( 0.704 2.288 2.014) 3.128 15.930 ( -1.143 -7.416 -2.807) 8.012======================= Grid point 761 (152/192) =======================q-point: (-0.53 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.991 ( -6.493 6.855 1.526) 9.564 3.192 ( -11.288 13.068 -5.953) 18.266 3.723 ( -2.149 -2.223 3.521) 4.686 4.091 ( -6.922 7.885 -0.974) 10.537 5.403 ( -0.205 -1.549 -1.356) 2.069 6.013 ( 3.434 -11.062 3.963) 12.242 6.843 ( -4.441 4.684 -0.897) 6.517 7.483 ( -0.148 -2.067 -1.830) 2.765 7.805 ( -1.128 2.351 0.978) 2.786 10.293 ( 3.676 0.559 0.065) 3.718 10.858 ( -0.753 -2.734 -1.228) 3.090 11.366 ( 9.428 -0.340 -0.849) 9.472 13.981 ( -5.826 5.421 -0.030) 7.958 15.358 ( 1.569 2.918 -0.287) 3.325 15.849 ( -0.106 -5.691 0.744) 5.741======================= Grid point 762 (153/192) =======================q-point: (-0.47 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.919 ( -7.302 2.831 1.532) 7.980 3.061 ( -18.323 14.011 -1.599) 23.122 3.640 ( -3.107 -5.564 0.973) 6.447 3.998 ( -10.918 4.840 -2.301) 12.162 5.340 ( -4.731 -1.730 -1.618) 5.291 5.879 ( -4.196 -13.283 3.516) 14.367 6.783 ( -6.481 2.737 -0.950) 7.099 7.434 ( -2.514 -2.519 -2.501) 4.350 7.752 ( -4.724 -1.929 -2.645) 5.748 10.426 ( 8.748 2.877 -0.457) 9.220 10.840 ( 3.142 -1.086 -0.649) 3.387 11.632 ( 16.830 2.711 -0.671) 17.060 13.898 ( -7.825 2.765 0.273) 8.304 15.416 ( 1.192 3.201 -3.554) 4.929 15.815 ( 1.442 -3.108 5.637) 6.597======================= Grid point 763 (154/192) =======================q-point: (-0.40 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( -10.486 -0.316 0.292) 10.494 2.856 ( -18.474 11.634 5.923) 22.621 3.488 ( -7.279 -6.059 -4.115) 10.327 3.805 ( -14.397 2.053 -4.289) 15.162 5.206 ( -9.007 -0.460 -0.013) 9.019 5.603 ( -10.672 -13.279 3.001) 17.298 6.676 ( -7.492 1.156 -0.927) 7.637 7.347 ( -4.107 -2.674 -3.574) 6.065 7.617 ( -5.932 -4.377 -5.410) 9.144 10.642 ( 11.847 2.757 -1.211) 12.223 10.987 ( 12.502 2.701 1.477) 12.875 11.972 ( 17.999 1.507 -1.722) 18.144 13.772 ( -7.900 0.805 0.277) 7.946 15.456 ( 0.111 1.490 -4.785) 5.013 15.834 ( 1.821 1.057 8.326) 8.588======================= Grid point 764 (155/192) =======================q-point: (-0.33 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( -16.149 2.630 4.334) 16.926 2.645 ( -14.260 2.376 10.100) 17.635 3.269 ( -11.521 -2.728 -10.461) 15.799 3.544 ( -15.433 -0.100 -6.222) 16.640 4.982 ( -17.979 0.914 5.780) 18.907 5.276 ( -9.843 -10.881 -1.016) 14.707 6.548 ( -7.371 0.157 -0.820) 7.418 7.221 ( -7.767 -2.836 -5.689) 10.037 7.501 ( -0.146 -4.166 -4.590) 6.200 10.897 ( 14.028 1.379 -1.086) 14.138 11.323 ( 20.734 3.727 4.308) 21.502 12.284 ( 16.328 -1.094 -3.846) 16.810 13.649 ( -6.234 0.373 -0.232) 6.249 15.426 ( -3.417 -2.834 -1.720) 4.761 15.908 ( 2.034 6.924 5.844) 9.286======================= Grid point 772 (156/192) =======================q-point: ( 0.20 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( 6.380 8.885 0.756) 10.965 2.988 ( 8.897 17.849 8.345) 21.619 3.439 ( 6.423 5.555 -6.441) 10.658 3.843 ( 9.383 13.704 -7.721) 18.316 5.211 ( 1.894 5.910 0.969) 6.281 5.394 ( 3.661 13.534 5.927) 15.222 6.690 ( 4.040 7.193 -0.590) 8.271 7.308 ( 1.595 4.385 -2.041) 5.093 7.528 ( 0.001 7.960 -3.763) 8.805 10.669 ( -6.119 -10.339 -1.657) 12.128 11.017 ( -7.599 -12.639 2.304) 14.927 11.982 ( -8.678 -14.587 -1.200) 17.015 13.788 ( 4.798 7.089 -0.204) 8.562 15.415 ( -3.931 2.854 0.659) 4.902 15.933 ( 4.622 -7.299 0.723) 8.670======================= Grid point 773 (157/192) =======================q-point: ( 0.27 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.978 ( 5.554 7.382 -1.757) 9.404 3.246 ( -1.247 18.070 6.348) 19.193 3.634 ( 9.515 4.392 -1.040) 10.531 4.123 ( 5.472 13.226 -8.951) 16.882 5.258 ( -0.779 4.825 2.385) 5.438 5.603 ( 8.796 2.266 4.884) 10.313 6.831 ( 2.773 7.949 -0.376) 8.427 7.375 ( 2.288 1.706 0.218) 2.862 7.641 ( 2.285 9.328 -1.211) 9.679 10.466 ( -5.913 -8.136 -1.518) 10.172 10.822 ( -3.300 -5.186 0.744) 6.191 11.674 ( -8.848 -14.447 -0.261) 16.944 13.952 ( 4.148 8.469 -0.244) 9.434 15.369 ( -3.872 2.540 1.533) 4.878 15.914 ( 2.399 -8.575 -1.786) 9.082======================= Grid point 774 (158/192) =======================q-point: ( 0.33 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.118 ( 1.317 6.565 -2.750) 7.239 3.354 ( -2.142 11.540 3.782) 12.331 3.817 ( 2.096 8.316 3.616) 9.307 4.288 ( -2.548 13.464 -7.669) 15.703 5.308 ( 2.800 1.256 1.440) 3.390 5.737 ( 9.000 -7.057 3.369) 11.923 6.940 ( -0.203 8.100 -0.333) 8.109 7.419 ( 2.505 -1.474 0.397) 2.934 7.780 ( 2.209 8.370 1.733) 8.828 10.304 ( -3.724 -5.560 -1.011) 6.768 10.793 ( 2.111 0.286 -0.035) 2.131 11.385 ( -7.222 -12.362 -0.316) 14.320 14.089 ( 0.788 8.437 -0.390) 8.483 15.345 ( -1.728 3.027 1.617) 3.842 15.849 ( 0.664 -8.746 -2.296) 9.067======================= Grid point 775 (159/192) =======================q-point: ( 0.40 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.145 ( -4.684 4.962 -1.108) 6.913 3.438 ( -0.053 8.132 -0.165) 8.133 3.844 ( -8.883 8.162 6.583) 13.743 4.321 ( -7.701 11.459 -5.495) 14.859 5.367 ( 2.759 -0.581 -0.870) 2.950 5.783 ( 7.715 -12.767 2.625) 15.146 6.980 ( -3.996 6.758 -0.326) 7.858 7.437 ( 2.137 -3.103 -0.133) 3.770 7.864 ( -1.019 4.822 2.368) 5.467 10.239 ( 1.279 -2.184 -0.841) 2.667 10.845 ( 0.699 0.123 -0.270) 0.759 11.224 ( 2.628 -6.075 -0.293) 6.626 14.138 ( -4.141 6.540 -0.288) 7.746 15.371 ( 0.529 3.787 0.344) 3.839 15.774 ( 0.807 -7.494 -0.697) 7.569======================= Grid point 777 (160/192) =======================q-point: (-0.53 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( -7.284 2.789 -0.421) 7.811 3.494 ( -5.285 10.396 -2.461) 11.919 3.683 ( -13.210 0.738 8.103) 15.515 4.255 ( -10.732 7.622 -5.075) 14.108 5.378 ( -0.962 -0.741 -1.690) 2.081 5.749 ( 3.316 -13.189 2.935) 13.912 6.938 ( -6.814 4.084 -0.322) 7.951 7.429 ( 0.278 -2.857 -0.739) 2.964 7.834 ( -5.242 0.410 0.415) 5.274 10.304 ( 6.679 0.460 -1.032) 6.774 10.805 ( -1.230 -2.103 -0.512) 2.490 11.371 ( 14.219 0.563 0.237) 14.232 14.078 ( -8.069 3.694 0.053) 8.875 15.424 ( 1.017 2.573 -2.406) 3.667 15.744 ( 2.721 -3.519 2.720) 5.214======================= Grid point 778 (161/192) =======================q-point: (-0.47 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.950 ( -8.884 1.360 -0.379) 8.996 3.343 ( -22.337 7.529 7.325) 24.683 3.526 ( -2.506 -2.232 -2.993) 4.497 4.093 ( -14.013 3.865 -6.035) 15.739 5.319 ( -4.337 -1.055 -0.702) 4.519 5.623 ( -4.613 -9.196 4.155) 11.096 6.831 ( -8.126 1.519 -0.440) 8.279 7.385 ( -2.441 -1.859 -1.127) 3.269 7.701 ( -7.656 -2.859 -2.533) 8.556 10.467 ( 10.043 1.007 -1.558) 10.213 10.828 ( 6.068 -0.278 0.513) 6.096 11.669 ( 17.278 0.940 -0.080) 17.304 13.943 ( -9.537 1.424 0.156) 9.644 15.445 ( 0.711 -1.545 -2.476) 3.004 15.804 ( 4.001 2.968 3.548) 6.116======================= Grid point 789 (162/192) =======================q-point: ( 0.27 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.120 ( 5.365 6.351 -1.448) 8.439 3.490 ( -4.226 3.620 1.806) 5.850 3.802 ( 13.085 12.956 8.043) 20.094 4.370 ( 8.284 10.493 -9.548) 16.429 5.340 ( -2.742 3.044 0.864) 4.187 5.587 ( -1.064 -3.453 2.100) 4.179 6.988 ( 4.192 6.981 -0.001) 8.143 7.388 ( -0.725 -0.445 0.008) 0.851 7.822 ( 2.621 7.541 0.943) 8.039 10.309 ( -3.939 -6.778 -1.530) 7.987 10.779 ( 0.173 0.997 0.052) 1.013 11.382 ( -7.359 -13.584 0.454) 15.456 14.122 ( 4.702 7.462 -0.184) 8.822 15.418 ( -2.277 2.257 -0.530) 3.250 15.748 ( 0.255 -7.166 0.359) 7.180======================= Grid point 790 (163/192) =======================q-point: ( 0.33 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.249 ( 0.541 6.193 -1.733) 6.454 3.450 ( -0.555 -0.955 0.996) 1.488 4.055 ( 0.207 11.664 12.752) 17.283 4.566 ( -1.963 13.369 -11.157) 17.524 5.322 ( 0.307 0.409 0.719) 0.882 5.529 ( 4.093 -12.272 0.331) 12.941 7.104 ( -0.448 7.709 0.130) 7.723 7.361 ( 1.050 -4.114 0.395) 4.264 7.922 ( 0.663 4.994 3.016) 5.872 10.207 ( -1.066 -3.572 -1.522) 4.026 10.839 ( 2.336 4.182 0.203) 4.795 11.148 ( -3.644 -10.514 0.340) 11.133 14.239 ( 0.278 5.591 -0.525) 5.623 15.423 ( -1.110 4.589 0.323) 4.732 15.674 ( 0.738 -8.015 -0.695) 8.079======================= Grid point 791 (164/192) =======================q-point: (-0.60 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.233 ( -6.743 3.341 -0.918) 7.581 3.479 ( 4.041 -1.724 -0.446) 4.416 4.040 ( -12.490 6.984 13.543) 19.702 4.545 ( -12.051 8.955 -10.339) 18.230 5.366 ( 1.651 0.170 -1.239) 2.072 5.509 ( 8.515 -10.903 1.254) 13.890 7.102 ( -6.563 4.284 0.201) 7.840 7.365 ( 3.317 -3.101 0.167) 4.544 7.930 ( -3.751 1.398 2.829) 4.902 10.207 ( 3.645 -0.873 -1.530) 4.048 10.844 ( -4.507 -0.226 0.027) 4.513 11.142 ( 10.581 -1.769 0.536) 10.742 14.237 ( -5.225 2.693 -0.425) 5.894 15.448 ( -1.347 2.370 -0.949) 2.886 15.646 ( 4.122 -3.543 0.674) 5.477======================= Grid point 805 (165/192) =======================q-point: ( 0.33 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 308Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.373 ( -2.567 -5.135 -0.606) 5.772 3.373 ( 2.567 5.135 -0.606) 5.772 4.187 ( -0.000 -0.000 15.680) 15.680 4.756 ( -0.000 -0.000 -11.967) 11.967 5.337 ( -0.559 -1.118 -0.270) 1.278 5.337 ( 0.559 1.118 -0.270) 1.278 7.252 ( -2.884 -5.768 0.399) 6.461 7.252 ( 2.884 5.768 0.399) 6.461 7.974 ( -0.000 -0.000 3.674) 3.674 10.168 ( -0.000 -0.000 -1.745) 1.745 10.961 ( -3.342 -6.684 0.449) 7.486 10.961 ( 3.342 6.684 0.449) 7.486 14.300 ( -0.000 -0.000 -0.688) 0.688 15.530 ( -2.539 -5.078 -0.138) 5.679 15.530 ( 2.539 5.078 -0.138) 5.679======================= Grid point 964 (166/192) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( -0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.675 ( -0.000 -0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 3.161 ( -0.000 -0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 -0.000 0.000) 0.000 6.203 ( 0.000 -0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 11.708 ( -0.000 0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 13.470 ( -0.000 0.000 0.000) 0.000 13.470 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 -0.000 0.000) 0.000 16.553 ( 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): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 3.639 2.101 -2.092) 4.694 1.987 ( 8.153 4.707 2.190) 9.666 2.607 ( -3.717 -2.146 -1.831) 4.666 2.715 ( 3.399 1.963 1.734) 4.291 3.390 ( 16.893 9.753 -0.264) 19.508 4.564 ( 4.574 2.641 0.321) 5.291 6.219 ( 1.349 0.779 0.128) 1.563 6.298 ( 7.626 4.403 -0.005) 8.806 9.314 ( -43.806 -25.291 0.297) 50.583 11.658 ( -4.209 -2.430 1.182) 5.002 12.196 ( 24.142 13.938 -1.949) 27.945 13.301 ( -14.074 -8.126 2.451) 16.435 13.475 ( 0.427 0.247 -1.132) 1.234 14.272 ( 15.022 8.673 0.137) 17.347 16.436 ( -8.455 -4.881 -0.831) 9.798======================= Grid point 968 (168/192) =======================q-point: ( 0.13 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 5.966 3.444 -3.559) 7.754 2.262 ( 14.622 8.442 5.562) 17.777 2.550 ( -0.698 -0.403 -6.087) 6.140 2.838 ( 6.867 3.965 3.249) 8.569 3.883 ( 23.415 13.519 -1.009) 27.057 4.714 ( 7.650 4.417 2.230) 9.111 6.267 ( 2.702 1.560 0.237) 3.129 6.538 ( 11.866 6.851 0.574) 13.714 8.349 ( -34.509 -19.924 1.806) 39.888 11.510 ( -8.120 -4.688 1.771) 9.542 12.502 ( -0.914 -0.528 -10.284) 10.338 12.858 ( -19.112 -11.034 12.440) 25.333 13.494 ( 1.262 0.728 -1.763) 2.287 14.724 ( 19.708 11.378 1.750) 22.824 16.235 ( -7.015 -4.050 -4.906) 9.470======================= Grid point 970 (169/192) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 6.605 3.813 -4.215) 8.714 2.549 ( 3.501 2.021 9.426) 10.257 2.689 ( 17.710 10.225 -12.135) 23.779 3.038 ( 9.820 5.670 4.264) 12.115 4.453 ( 23.281 13.441 -3.011) 27.050 4.918 ( 9.719 5.611 6.703) 13.072 6.346 ( 3.896 2.249 0.324) 4.510 6.832 ( 12.283 7.091 1.697) 14.284 7.720 ( -18.318 -10.576 4.093) 21.544 11.279 ( -11.144 -6.434 1.588) 12.966 12.074 ( -26.380 -15.230 -4.279) 30.760 12.619 ( -6.814 -3.934 7.465) 10.846 13.538 ( 2.430 1.403 -1.746) 3.305 15.095 ( 10.689 6.171 4.254) 13.055 16.132 ( -1.866 -1.078 -9.974) 10.204======================= Grid point 972 (170/192) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( 5.938 3.428 -4.085) 7.981 2.638 ( 4.549 2.626 -0.315) 5.262 3.138 ( 18.376 10.609 -4.793) 21.754 3.292 ( 11.253 6.497 4.445) 13.734 4.896 ( 12.424 7.173 -3.379) 14.738 5.233 ( 17.916 10.344 9.776) 22.881 6.449 ( 4.588 2.649 0.399) 5.313 7.100 ( 9.902 5.717 2.411) 11.686 7.460 ( -4.129 -2.384 6.351) 7.942 10.993 ( -12.519 -7.228 0.949) 14.487 11.480 ( -22.100 -12.760 -0.287) 25.521 12.404 ( -11.300 -6.524 2.830) 13.352 13.608 ( 3.418 1.974 -1.325) 4.163 15.249 ( 3.259 1.882 4.980) 6.242 16.114 ( -0.413 -0.238 -11.853) 11.863======================= Grid point 974 (171/192) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( 4.531 2.616 -3.296) 6.183 2.758 ( 5.268 3.042 -2.670) 6.643 3.512 ( 12.328 7.117 -3.438) 14.644 3.555 ( 10.464 6.041 3.706) 12.638 5.117 ( 7.921 4.573 1.369) 9.248 5.689 ( 18.402 10.624 6.008) 22.081 6.558 ( 4.413 2.548 0.440) 5.114 7.285 ( 5.730 3.308 1.063) 6.701 7.489 ( 5.316 3.069 8.589) 10.557 10.701 ( -11.645 -6.723 0.325) 13.450 11.060 ( -12.793 -7.386 0.312) 14.775 12.093 ( -14.475 -8.357 0.752) 16.731 13.694 ( 3.651 2.108 -0.830) 4.297 15.292 ( 0.920 0.531 4.240) 4.371 16.088 ( -1.904 -1.099 -10.640) 10.864======================= Grid point 976 (172/192) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.567 ( 2.795 1.614 -2.094) 3.848 2.875 ( 4.219 2.436 -3.208) 5.833 3.716 ( 5.117 2.954 -1.290) 6.047 3.772 ( 7.418 4.283 2.354) 8.883 5.295 ( 6.704 3.871 1.694) 7.925 6.062 ( 12.487 7.210 3.696) 14.885 6.650 ( 3.209 1.853 0.374) 3.725 7.395 ( 3.633 2.097 -0.018) 4.195 7.641 ( 6.327 3.653 7.531) 10.493 10.459 ( -8.334 -4.812 -0.003) 9.624 10.875 ( -2.984 -1.723 0.423) 3.472 11.739 ( -14.654 -8.461 -0.377) 16.926 13.773 ( 2.820 1.628 -0.432) 3.285 15.310 ( 0.740 0.427 3.036) 3.154 16.029 ( -2.789 -1.610 -7.575) 8.231======================= Grid point 978 (173/192) =======================q-point: ( 0.47 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( 0.942 0.544 -0.713) 1.300 2.946 ( 1.622 0.936 -1.497) 2.397 3.783 ( 1.105 0.638 -0.058) 1.277 3.895 ( 2.685 1.550 0.791) 3.199 5.412 ( 2.690 1.553 0.554) 3.156 6.266 ( 4.394 2.537 1.328) 5.245 6.704 ( 1.175 0.679 0.151) 1.366 7.454 ( 1.296 0.748 -0.134) 1.503 7.754 ( 2.671 1.542 2.939) 4.261 10.321 ( -3.039 -1.755 -0.039) 3.510 10.883 ( 2.084 1.203 0.409) 2.440 11.447 ( -8.157 -4.709 -0.512) 9.432 13.821 ( 1.063 0.614 -0.132) 1.234 15.326 ( 0.437 0.252 1.188) 1.290 15.974 ( -1.398 -0.807 -2.835) 3.262======================= Grid point 996 (174/192) =======================q-point: ( 0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( 3.720 6.442 0.000) 7.439 2.165 ( 7.180 12.436 0.000) 14.360 2.556 ( -1.018 -1.763 -0.000) 2.036 2.800 ( 3.613 6.258 0.000) 7.226 3.736 ( 12.801 22.172 0.000) 25.602 4.666 ( 3.991 6.913 0.000) 7.983 6.253 ( 1.459 2.526 0.000) 2.917 6.463 ( 6.341 10.983 0.000) 12.682 8.581 ( -22.200 -38.452 0.000) 44.401 11.560 ( -4.089 -7.083 0.000) 8.179 12.494 ( 5.601 9.702 0.000) 11.203 12.971 ( -13.344 -23.112 0.000) 26.687 13.483 ( 0.383 0.664 0.000) 0.766 14.604 ( 12.281 21.271 0.000) 24.561 16.281 ( -4.909 -8.503 0.000) 9.818======================= Grid point 998 (175/192) =======================q-point: ( 0.13 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( 4.477 8.968 -2.626) 10.362 2.484 ( 11.929 12.435 12.728) 21.423 2.560 ( 3.170 2.275 -13.249) 13.812 2.970 ( 6.577 8.746 2.103) 11.143 4.249 ( 18.500 21.033 -1.122) 28.033 4.834 ( 6.518 6.804 2.594) 9.773 6.322 ( 2.585 3.726 0.153) 4.538 6.721 ( 9.531 10.409 0.694) 14.131 7.897 ( -18.158 -21.158 1.760) 27.937 11.370 ( -7.782 -8.881 0.921) 11.844 12.356 ( -23.495 -17.693 -7.167) 30.273 12.602 ( 0.659 -9.200 8.798) 12.747 13.510 ( 1.812 1.177 -1.006) 2.384 15.020 ( 10.391 15.280 2.027) 18.590 16.140 ( -2.654 -4.681 -4.656) 7.116======================= Grid point 1000 (176/192) =======================q-point: ( 0.20 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 3.437 10.862 -3.490) 11.915 2.610 ( 2.660 4.435 2.448) 5.722 2.924 ( 17.872 11.918 -5.091) 22.076 3.207 ( 8.574 10.637 3.165) 14.024 4.766 ( 15.047 16.052 -4.221) 22.403 5.050 ( 11.780 6.973 8.317) 16.017 6.419 ( 3.283 4.790 0.257) 5.812 6.993 ( 9.623 8.171 1.744) 12.744 7.519 ( -7.646 -7.768 4.070) 11.634 11.110 ( -10.199 -9.863 0.887) 14.216 11.734 ( -22.914 -17.610 -0.922) 28.914 12.467 ( -5.457 -9.900 3.177) 11.742 13.573 ( 3.115 2.463 -1.195) 4.147 15.251 ( 2.561 7.904 4.337) 9.373 16.089 ( 0.769 -3.031 -9.220) 9.735======================= Grid point 1002 (177/192) =======================q-point: ( 0.27 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.519 ( 1.265 12.535 -2.763) 12.898 2.719 ( 3.640 5.413 -1.281) 6.648 3.336 ( 15.373 8.249 -3.258) 17.748 3.482 ( 8.837 11.695 2.482) 14.867 5.049 ( 6.121 7.387 -0.312) 9.598 5.445 ( 19.704 9.531 6.699) 22.891 6.532 ( 3.284 5.392 0.331) 6.322 7.215 ( 7.048 5.221 1.497) 8.898 7.443 ( 2.111 1.023 6.647) 7.049 10.821 ( -10.615 -9.222 0.456) 14.069 11.226 ( -16.356 -11.774 0.225) 20.155 12.213 ( -10.266 -11.458 1.238) 15.434 13.667 ( 3.371 4.037 -0.953) 5.345 15.313 ( -1.054 3.644 4.645) 5.997 16.074 ( 0.673 -3.505 -10.287) 10.889======================= Grid point 1004 (178/192) =======================q-point: ( 0.33 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.652 ( -1.912 13.965 -1.351) 14.160 2.840 ( 3.641 4.968 -3.228) 6.954 3.618 ( 9.170 3.905 -1.644) 10.101 3.736 ( 6.046 10.455 1.354) 12.153 5.218 ( 6.303 4.826 2.061) 8.202 5.858 ( 16.899 5.320 4.180) 18.203 6.639 ( 2.343 5.340 0.340) 5.841 7.354 ( 4.177 3.389 0.006) 5.379 7.564 ( 6.555 4.260 7.969) 11.163 10.558 ( -9.130 -6.927 0.094) 11.461 10.925 ( -6.975 -5.709 0.362) 9.021 11.882 ( -12.777 -11.658 -0.007) 17.296 13.767 ( 2.289 5.169 -0.620) 5.687 15.319 ( -0.878 1.706 3.801) 4.258 16.032 ( -0.835 -4.149 -8.654) 9.634======================= Grid point 1006 (179/192) =======================q-point: ( 0.40 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( -5.137 14.326 -0.378) 15.224 2.939 ( 1.960 3.788 -2.810) 5.107 3.751 ( 3.445 1.033 -0.726) 3.669 3.902 ( 1.993 7.761 1.122) 8.091 5.360 ( 4.894 2.222 1.279) 5.525 6.135 ( 10.963 -0.366 2.278) 11.204 6.717 ( 0.473 4.606 0.227) 4.636 7.439 ( 2.130 2.026 -0.312) 2.956 7.714 ( 4.652 3.563 5.201) 7.835 10.368 ( -5.383 -3.991 -0.036) 6.701 10.850 ( 1.384 -0.765 0.507) 1.660 11.549 ( -11.022 -9.560 -0.623) 14.603 13.845 ( 0.102 5.313 -0.308) 5.323 15.325 ( 0.000 0.804 2.318) 2.453 15.972 ( -0.857 -3.790 -5.116) 6.425======================= Grid point 1008 (180/192) =======================q-point: ( 0.47 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.763 ( -7.790 13.493 0.000) 15.580 2.977 ( -1.181 2.045 0.000) 2.361 3.784 ( 0.260 -0.449 0.000) 0.519 3.961 ( -2.720 4.711 -0.000) 5.440 5.418 ( 0.531 -0.919 0.000) 1.061 6.232 ( 3.281 -5.683 -0.000) 6.562 6.746 ( -1.932 3.346 0.000) 3.863 7.469 ( -0.284 0.491 0.000) 0.567 7.777 ( -0.479 0.830 0.000) 0.959 10.298 ( 0.326 -0.565 0.000) 0.652 10.885 ( 0.689 -1.194 0.000) 1.378 11.374 ( 1.158 -2.006 0.000) 2.316 13.874 ( -2.506 4.340 0.000) 5.011 15.330 ( -0.136 0.235 0.000) 0.271 15.941 ( 1.357 -2.350 0.000) 2.714======================= Grid point 1030 (181/192) =======================q-point: ( 0.13 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.394 ( 6.343 10.986 0.000) 12.685 2.623 ( 3.094 5.358 0.000) 6.187 2.801 ( 9.630 16.680 -0.000) 19.260 3.189 ( 7.107 12.309 0.000) 14.213 4.711 ( 13.150 22.777 -0.000) 26.300 4.978 ( 4.110 7.119 0.000) 8.220 6.417 ( 3.123 5.409 0.000) 6.246 6.946 ( 6.297 10.906 0.000) 12.593 7.551 ( -6.673 -11.559 0.000) 13.347 11.150 ( -7.044 -12.200 0.000) 14.087 11.868 ( -14.965 -25.921 0.000) 29.931 12.446 ( -4.724 -8.182 0.000) 9.448 13.556 ( 1.980 3.429 0.000) 3.960 15.280 ( 5.172 8.958 0.000) 10.344 16.058 ( -1.719 -2.977 0.000) 3.438======================= Grid point 1032 (182/192) =======================q-point: ( 0.20 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( 4.451 11.391 -1.428) 12.313 2.764 ( 2.174 12.053 0.958) 12.285 3.159 ( 13.744 10.569 -2.417) 17.506 3.466 ( 8.281 14.087 0.956) 16.368 5.068 ( 2.310 11.542 -2.940) 12.133 5.213 ( 16.651 9.795 5.548) 20.099 6.539 ( 3.342 6.632 0.101) 7.427 7.155 ( 6.307 7.379 0.759) 9.737 7.429 ( -0.172 -0.713 2.470) 2.577 10.884 ( -8.466 -11.589 0.215) 14.353 11.367 ( -15.020 -17.413 0.078) 22.997 12.238 ( -6.974 -12.111 0.659) 13.991 13.652 ( 3.580 5.237 -0.480) 6.362 15.382 ( -0.708 4.292 2.755) 5.149 16.016 ( 0.482 -3.832 -5.006) 6.323======================= Grid point 1034 (183/192) =======================q-point: ( 0.27 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.790 ( 3.959 9.476 -0.920) 10.311 2.924 ( -2.036 17.960 -0.135) 18.076 3.476 ( 11.932 5.286 -3.013) 13.394 3.751 ( 6.740 13.837 0.440) 15.397 5.191 ( 2.754 6.205 1.596) 6.974 5.603 ( 16.579 5.410 3.063) 17.707 6.665 ( 2.539 7.381 0.133) 7.806 7.313 ( 4.676 4.194 0.027) 6.281 7.506 ( 5.140 5.107 5.220) 8.931 10.629 ( -7.889 -9.103 0.105) 12.046 10.999 ( -9.783 -9.976 0.269) 13.975 11.953 ( -9.834 -13.394 0.158) 16.617 13.781 ( 3.484 7.033 -0.572) 7.869 15.377 ( -2.769 2.223 3.742) 5.159 15.981 ( 0.576 -5.274 -6.854) 8.667======================= Grid point 1036 (184/192) =======================q-point: ( 0.33 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.939 ( 2.740 7.329 -0.620) 7.849 3.049 ( -6.392 20.440 -0.212) 21.417 3.683 ( 6.530 2.857 -2.910) 7.699 3.968 ( 2.513 11.677 0.333) 11.949 5.302 ( 4.043 3.093 2.184) 5.540 5.894 ( 13.719 -2.006 2.071) 14.019 6.772 ( 0.681 7.393 0.099) 7.425 7.413 ( 3.126 1.902 -0.349) 3.676 7.671 ( 5.524 6.292 5.125) 9.817 10.421 ( -6.219 -6.423 0.007) 8.940 10.830 ( -1.556 -3.361 0.421) 3.727 11.630 ( -10.646 -12.504 -0.450) 16.428 13.906 ( 1.365 8.049 -0.470) 8.177 15.352 ( -1.830 1.380 3.189) 3.927 15.927 ( 0.098 -5.832 -5.721) 8.171======================= Grid point 1038 (185/192) =======================q-point: ( 0.40 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( -0.271 5.068 -0.351) 5.088 3.114 ( -9.819 20.198 0.061) 22.458 3.773 ( 1.191 1.917 -1.283) 2.596 4.078 ( -2.072 9.025 0.248) 9.263 5.381 ( 2.624 -0.245 0.855) 2.771 6.045 ( 9.053 -8.293 0.786) 12.302 6.834 ( -1.955 6.539 0.035) 6.825 7.464 ( 1.414 -0.006 -0.129) 1.420 7.795 ( 1.366 4.431 2.035) 5.064 10.293 ( -1.928 -3.345 -0.008) 3.860 10.842 ( 2.881 -0.137 0.407) 2.913 11.362 ( -5.281 -8.241 -0.487) 9.800 13.982 ( -2.100 7.610 -0.192) 7.897 15.342 ( -0.734 1.023 1.337) 1.837 15.879 ( 1.279 -5.079 -2.294) 5.718======================= Grid point 1062 (186/192) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.796 ( 4.619 8.000 0.000) 9.238 3.092 ( 9.931 17.202 -0.000) 19.863 3.354 ( 5.011 8.680 0.000) 10.023 3.765 ( 8.242 14.276 0.000) 16.485 5.221 ( 2.742 4.749 0.000) 5.484 5.453 ( 6.801 11.780 0.000) 13.602 6.684 ( 4.185 7.249 0.000) 8.370 7.289 ( 3.142 5.441 0.000) 6.283 7.487 ( 3.458 5.989 0.000) 6.916 10.652 ( -6.128 -10.613 0.000) 12.255 11.041 ( -7.897 -13.678 0.000) 15.794 11.969 ( -8.033 -13.914 0.000) 16.067 13.786 ( 4.356 7.546 0.000) 8.713 15.424 ( 0.012 0.021 0.000) 0.024 15.939 ( -2.059 -3.567 0.000) 4.119======================= Grid point 1064 (187/192) =======================q-point: ( 0.27 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.953 ( 3.925 7.534 -0.740) 8.528 3.361 ( -3.496 20.118 4.846) 20.987 3.568 ( 11.781 5.747 -5.702) 14.295 4.028 ( 5.262 12.587 -0.242) 13.645 5.296 ( 0.994 3.915 1.614) 4.349 5.658 ( 9.147 -0.093 0.603) 9.167 6.827 ( 2.716 8.103 -0.027) 8.546 7.377 ( 2.548 1.827 -0.029) 3.135 7.650 ( 5.430 8.528 2.058) 10.317 10.451 ( -5.576 -8.230 0.013) 9.940 10.832 ( -3.613 -5.722 0.173) 6.770 11.670 ( -9.127 -13.971 -0.158) 16.689 13.947 ( 3.836 8.722 -0.260) 9.532 15.404 ( -1.976 0.615 1.983) 2.866 15.866 ( -0.792 -5.707 -2.972) 6.483======================= Grid point 1066 (188/192) =======================q-point: ( 0.33 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.081 ( 1.546 7.033 -1.142) 7.291 3.429 ( -4.855 10.461 3.900) 12.174 3.819 ( 2.410 14.728 -4.342) 15.542 4.199 ( 0.463 10.352 -0.394) 10.370 5.341 ( 1.341 0.766 1.937) 2.478 5.775 ( 9.462 -9.405 0.356) 13.346 6.936 ( -0.309 8.292 -0.077) 8.298 7.421 ( 2.187 -1.203 0.067) 2.497 7.818 ( 3.134 7.535 1.810) 8.359 10.293 ( -3.355 -5.829 0.012) 6.726 10.796 ( 2.006 0.282 0.367) 2.059 11.378 ( -7.725 -11.840 -0.443) 14.144 14.082 ( 0.766 8.532 -0.282) 8.571 15.381 ( -1.782 1.705 2.050) 3.207 15.798 ( 0.608 -6.595 -2.832) 7.203======================= Grid point 1068 (189/192) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.135 ( -3.036 5.258 0.000) 6.072 3.435 ( -4.206 7.285 0.000) 8.413 3.920 ( -8.442 14.622 0.000) 16.883 4.256 ( -4.485 7.769 -0.000) 8.970 5.358 ( 0.916 -1.587 0.000) 1.832 5.809 ( 8.026 -13.901 -0.000) 16.051 6.977 ( -4.082 7.070 0.000) 8.164 7.434 ( 1.606 -2.781 0.000) 3.211 7.889 ( -2.494 4.319 0.000) 4.987 10.231 ( 1.519 -2.631 0.000) 3.038 10.842 ( -0.046 0.080 0.000) 0.092 11.221 ( 3.031 -5.249 0.000) 6.061 14.135 ( -3.813 6.604 0.000) 7.625 15.375 ( -1.333 2.309 0.000) 2.666 15.767 ( 3.283 -5.686 0.000) 6.565======================= Grid point 1096 (190/192) =======================q-point: ( 0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.105 ( 4.078 7.063 0.000) 8.156 3.507 ( -0.383 -0.663 0.000) 0.765 3.908 ( 12.118 20.989 0.000) 24.236 4.252 ( 5.033 8.718 0.000) 10.067 5.348 ( 0.597 1.035 0.000) 1.195 5.608 ( -2.443 -4.231 -0.000) 4.886 6.988 ( 4.157 7.200 0.000) 8.314 7.389 ( -0.316 -0.548 0.000) 0.633 7.831 ( 4.721 8.178 0.000) 9.443 10.293 ( -3.907 -6.766 0.000) 7.813 10.780 ( 0.407 0.704 0.000) 0.813 11.386 ( -7.644 -13.239 0.000) 15.287 14.120 ( 4.327 7.494 0.000) 8.653 15.414 ( 0.361 0.626 0.000) 0.723 15.751 ( -3.093 -5.356 0.000) 6.185======================= Grid point 1098 (191/192) =======================q-point: ( 0.33 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.228 ( 0.567 7.124 -0.424) 7.159 3.467 ( -0.674 -3.099 0.799) 3.270 4.252 ( -1.104 22.116 -0.254) 22.145 4.376 ( -0.074 6.333 -0.744) 6.377 5.341 ( -1.087 -0.521 1.219) 1.714 5.527 ( 4.964 -13.574 -0.552) 14.464 7.105 ( -0.527 7.947 -0.057) 7.965 7.366 ( 1.043 -4.118 0.071) 4.249 7.956 ( 0.904 5.185 0.242) 5.268 10.191 ( -0.957 -3.781 0.006) 3.901 10.843 ( 2.407 4.194 0.144) 4.838 11.149 ( -3.885 -10.162 -0.162) 10.881 14.233 ( 0.259 5.553 -0.063) 5.560 15.433 ( -0.995 3.531 0.669) 3.729 15.660 ( 0.597 -6.726 -0.754) 6.795======================= Grid point 1128 (192/192) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.367 ( -2.746 -5.491 0.000) 6.139 3.367 ( 2.746 5.491 0.000) 6.139 4.443 ( -0.000 -0.000 0.000) 0.000 4.537 ( -0.000 -0.000 -0.000) 0.000 5.334 ( -0.329 -0.659 0.000) 0.737 5.334 ( 0.329 0.659 0.000) 0.737 7.255 ( -2.891 -5.782 0.000) 6.464 7.255 ( 2.891 5.782 0.000) 6.464 8.012 ( -0.000 -0.000 0.000) 0.000 10.150 ( -0.000 -0.000 0.000) 0.000 10.965 ( -3.385 -6.769 0.000) 7.568 10.965 ( 3.385 6.769 0.000) 7.568 14.293 ( -0.000 -0.000 0.000) 0.000 15.529 ( -2.560 -5.120 0.000) 5.725 15.529 ( 2.560 5.120 0.000) 5.725=================== 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 8451.076 8451.076 11599.655 0.000 -0.000 0.000 3/27000 20.0 2057.105 2057.105 1905.515 0.000 0.000 0.000 3/27000 30.0 803.399 803.399 639.443 0.000 0.000 0.000 3/27000 40.0 420.238 420.238 308.369 0.000 0.000 0.000 3/27000 50.0 262.435 262.435 180.644 0.000 0.000 0.000 3/27000 60.0 183.470 183.470 120.460 -0.000 0.000 0.000 3/27000 70.0 138.104 138.104 87.820 -0.000 0.000 0.000 3/27000 80.0 109.270 109.270 68.078 -0.000 0.000 0.000 3/27000 90.0 89.566 89.566 55.110 -0.000 0.000 0.000 3/27000 100.0 75.383 75.383 46.047 -0.000 0.000 0.000 3/27000 110.0 64.774 64.774 39.411 -0.000 0.000 0.000 3/27000 120.0 56.601 56.601 34.372 -0.000 0.000 0.000 3/27000 130.0 50.152 50.152 30.435 -0.000 0.000 0.000 3/27000 140.0 44.960 44.960 27.285 -0.000 0.000 0.000 3/27000 150.0 40.708 40.708 24.715 -0.000 0.000 0.000 3/27000 160.0 37.173 37.173 22.583 -0.000 0.000 0.000 3/27000 170.0 34.195 34.195 20.789 -0.000 0.000 0.000 3/27000 180.0 31.656 31.656 19.260 -0.000 0.000 0.000 3/27000 190.0 29.469 29.469 17.942 -0.000 0.000 0.000 3/27000 200.0 27.567 27.567 16.796 -0.000 0.000 0.000 3/27000 210.0 25.899 25.899 15.790 -0.000 0.000 0.000 3/27000 220.0 24.425 24.425 14.900 -0.000 0.000 0.000 3/27000 230.0 23.113 23.113 14.108 -0.000 0.000 0.000 3/27000 240.0 21.939 21.939 13.397 -0.000 0.000 0.000 3/27000 250.0 20.881 20.881 12.757 -0.000 0.000 0.000 3/27000 260.0 19.923 19.923 12.177 -0.000 0.000 0.000 3/27000 270.0 19.052 19.052 11.649 -0.000 0.000 0.000 3/27000 280.0 18.256 18.256 11.166 -0.000 0.000 0.000 3/27000 290.0 17.526 17.526 10.723 -0.000 0.000 0.000 3/27000 300.0 16.854 16.854 10.315 -0.000 0.000 0.000 3/27000 310.0 16.234 16.234 9.938 -0.000 0.000 0.000 3/27000 320.0 15.659 15.659 9.588 -0.000 0.000 0.000 3/27000 330.0 15.124 15.124 9.263 -0.000 0.000 0.000 3/27000 340.0 14.626 14.626 8.959 -0.000 0.000 0.000 3/27000 350.0 14.161 14.161 8.676 -0.000 0.000 0.000 3/27000 360.0 13.725 13.725 8.410 -0.000 0.000 0.000 3/27000 370.0 13.316 13.316 8.161 -0.000 0.000 0.000 3/27000 380.0 12.931 12.931 7.927 -0.000 0.000 0.000 3/27000 390.0 12.569 12.569 7.706 -0.000 0.000 0.000 3/27000 400.0 12.227 12.227 7.497 -0.000 0.000 0.000 3/27000 410.0 11.904 11.904 7.299 -0.000 0.000 0.000 3/27000 420.0 11.598 11.598 7.112 -0.000 0.000 0.000 3/27000 430.0 11.307 11.307 6.935 -0.000 0.000 0.000 3/27000 440.0 11.031 11.031 6.766 -0.000 0.000 0.000 3/27000 450.0 10.769 10.769 6.606 -0.000 0.000 0.000 3/27000 460.0 10.519 10.519 6.453 -0.000 0.000 0.000 3/27000 470.0 10.281 10.281 6.308 -0.000 0.000 0.000 3/27000 480.0 10.053 10.053 6.168 -0.000 0.000 0.000 3/27000 490.0 9.836 9.836 6.035 -0.000 0.000 0.000 3/27000 500.0 9.628 9.628 5.908 -0.000 0.000 0.000 3/27000 510.0 9.429 9.429 5.786 -0.000 0.000 0.000 3/27000 520.0 9.238 9.238 5.669 -0.000 0.000 0.000 3/27000 530.0 9.054 9.054 5.557 -0.000 0.000 0.000 3/27000 540.0 8.878 8.878 5.450 -0.000 0.000 0.000 3/27000 550.0 8.709 8.709 5.346 -0.000 0.000 0.000 3/27000 560.0 8.547 8.547 5.246 -0.000 0.000 0.000 3/27000 570.0 8.390 8.390 5.150 -0.000 0.000 0.000 3/27000 580.0 8.239 8.239 5.058 -0.000 0.000 0.000 3/27000 590.0 8.094 8.094 4.969 -0.000 0.000 0.000 3/27000 600.0 7.954 7.954 4.883 -0.000 0.000 0.000 3/27000 610.0 7.818 7.818 4.800 -0.000 0.000 0.000 3/27000 620.0 7.687 7.687 4.720 -0.000 0.000 0.000 3/27000 630.0 7.561 7.561 4.642 -0.000 0.000 0.000 3/27000 640.0 7.439 7.439 4.567 -0.000 0.000 0.000 3/27000 650.0 7.320 7.320 4.495 -0.000 0.000 0.000 3/27000 660.0 7.206 7.206 4.425 -0.000 0.000 0.000 3/27000 670.0 7.095 7.095 4.357 -0.000 0.000 0.000 3/27000 680.0 6.987 6.987 4.291 -0.000 0.000 0.000 3/27000 690.0 6.883 6.883 4.227 -0.000 0.000 0.000 3/27000 700.0 6.782 6.782 4.165 -0.000 0.000 0.000 3/27000 710.0 6.683 6.683 4.104 -0.000 0.000 0.000 3/27000 720.0 6.588 6.588 4.046 -0.000 0.000 0.000 3/27000 730.0 6.495 6.495 3.989 -0.000 0.000 0.000 3/27000 740.0 6.405 6.405 3.934 -0.000 0.000 0.000 3/27000 750.0 6.318 6.318 3.880 -0.000 0.000 0.000 3/27000 760.0 6.233 6.233 3.828 -0.000 0.000 0.000 3/27000 770.0 6.150 6.150 3.777 -0.000 0.000 0.000 3/27000 780.0 6.069 6.069 3.728 -0.000 0.000 0.000 3/27000 790.0 5.990 5.990 3.679 -0.000 0.000 0.000 3/27000 800.0 5.914 5.914 3.632 -0.000 0.000 0.000 3/27000 810.0 5.839 5.839 3.587 -0.000 0.000 0.000 3/27000 820.0 5.766 5.766 3.542 -0.000 0.000 0.000 3/27000 830.0 5.696 5.696 3.499 -0.000 0.000 0.000 3/27000 840.0 5.626 5.626 3.456 -0.000 0.000 0.000 3/27000 850.0 5.559 5.559 3.415 -0.000 0.000 0.000 3/27000 860.0 5.493 5.493 3.374 -0.000 0.000 0.000 3/27000 870.0 5.429 5.429 3.335 -0.000 0.000 0.000 3/27000 880.0 5.366 5.366 3.296 -0.000 0.000 0.000 3/27000 890.0 5.305 5.305 3.259 -0.000 0.000 0.000 3/27000 900.0 5.245 5.245 3.222 -0.000 0.000 0.000 3/27000 910.0 5.186 5.186 3.186 -0.000 0.000 0.000 3/27000 920.0 5.129 5.129 3.151 -0.000 0.000 0.000 3/27000 930.0 5.073 5.073 3.116 -0.000 0.000 0.000 3/27000 940.0 5.018 5.018 3.083 -0.000 0.000 0.000 3/27000 950.0 4.964 4.964 3.050 -0.000 0.000 0.000 3/27000 960.0 4.912 4.912 3.017 -0.000 0.000 0.000 3/27000 970.0 4.860 4.860 2.986 -0.000 0.000 0.000 3/27000 980.0 4.810 4.810 2.955 -0.000 0.000 0.000 3/27000 990.0 4.761 4.761 2.925 -0.000 0.000 0.000 3/27000 1000.0 4.712 4.712 2.895 -0.000 0.000 0.000 3/27000Thermal conductivity related properties were written into "kappa-m15158.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:09:45]------------------------- 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