# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/9b6a93ff-c931-42f0-ad26-8ab2e1dafe9f/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 Sr2NCl / R-3m (166) / materials id 23033](https://mdr.nims.go.jp/datasets/58eecd21-59c2-4a62-9e47-73fbb71b51ea) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:16:33]-------------------------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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.926630796844621 1.112340809187263 6.984188266666660 b -1.926630796844617 1.112340809187263 6.984188266666660 c 0.000000000000002 -2.224681618374529 6.984188266666660Atomic positions (fractional): *1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 *2 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 *3 Sr 0.23057222099841 0.23057222099841 0.23057222099841 87.620 4 Sr 0.76942777900159 0.76942777900160 0.76942777900159 87.620-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.853261593689238 0.000000000000000 0.000000000000000 b -1.926630796844619 3.337022427561792 0.000000000000000 c 0.000000000000000 0.000000000000000 20.952564800000001Atomic positions (fractional): *1 N 0.66666666666667 0.33333333333333 0.83333333333333 14.007 > 1 2 N 0.33333333333333 0.66666666666667 0.16666666666667 14.007 > 1 3 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 *4 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 2 5 Cl 0.66666666666667 0.33333333333333 0.33333333333333 35.453 > 2 6 Cl 0.33333333333333 0.66666666666667 0.66666666666667 35.453 > 2 *7 Sr 0.33333333333333 0.66666666666667 0.89723888766507 87.620 > 3 8 Sr 0.00000000000000 0.00000000000000 0.76942777900159 87.620 > 4 9 Sr 0.00000000000000 0.00000000000000 0.23057222099841 87.620 > 3 10 Sr 0.66666666666667 0.33333333333333 0.10276111233493 87.620 > 4 11 Sr 0.66666666666667 0.33333333333333 0.56390555433174 87.620 > 3 12 Sr 0.33333333333333 0.66666666666667 0.43609444566826 87.620 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 11.559784781067714 0.000000000000000 0.000000000000000 b -5.779892390533857 10.011067282685376 0.000000000000000 c 0.000000000000000 0.000000000000000 20.952564800000001Atomic positions (fractional): *1 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 2 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 3 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 4 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 5 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 6 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 7 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 8 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 9 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 10 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 11 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 12 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 13 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 14 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 15 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 16 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 17 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 18 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 19 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 20 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 21 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 22 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 23 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 24 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 25 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 26 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 27 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 *28 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 2 29 Cl 0.33333333333333 0.00000000000000 0.00000000000000 35.453 > 2 30 Cl 0.66666666666667 0.00000000000000 0.00000000000000 35.453 > 2 31 Cl 0.00000000000000 0.33333333333333 0.00000000000000 35.453 > 2 32 Cl 0.33333333333333 0.33333333333333 0.00000000000000 35.453 > 2 33 Cl 0.66666666666667 0.33333333333333 0.00000000000000 35.453 > 2 34 Cl 0.00000000000000 0.66666666666667 0.00000000000000 35.453 > 2 35 Cl 0.33333333333333 0.66666666666667 0.00000000000000 35.453 > 2 36 Cl 0.66666666666667 0.66666666666667 0.00000000000000 35.453 > 2 37 Cl 0.22222222222222 0.11111111111111 0.33333333333333 35.453 > 2 38 Cl 0.55555555555556 0.11111111111111 0.33333333333333 35.453 > 2 39 Cl 0.88888888888889 0.11111111111111 0.33333333333333 35.453 > 2 40 Cl 0.22222222222222 0.44444444444444 0.33333333333333 35.453 > 2 41 Cl 0.55555555555556 0.44444444444444 0.33333333333333 35.453 > 2 42 Cl 0.88888888888889 0.44444444444444 0.33333333333333 35.453 > 2 43 Cl 0.22222222222222 0.77777777777778 0.33333333333333 35.453 > 2 44 Cl 0.55555555555556 0.77777777777778 0.33333333333333 35.453 > 2 45 Cl 0.88888888888889 0.77777777777778 0.33333333333333 35.453 > 2 46 Cl 0.11111111111111 0.22222222222222 0.66666666666667 35.453 > 2 47 Cl 0.44444444444444 0.22222222222222 0.66666666666667 35.453 > 2 48 Cl 0.77777777777778 0.22222222222222 0.66666666666667 35.453 > 2 49 Cl 0.11111111111111 0.55555555555556 0.66666666666667 35.453 > 2 50 Cl 0.44444444444444 0.55555555555556 0.66666666666667 35.453 > 2 51 Cl 0.77777777777778 0.55555555555556 0.66666666666667 35.453 > 2 52 Cl 0.11111111111111 0.88888888888889 0.66666666666667 35.453 > 2 53 Cl 0.44444444444444 0.88888888888889 0.66666666666667 35.453 > 2 54 Cl 0.77777777777778 0.88888888888889 0.66666666666667 35.453 > 2 *55 Sr 0.11111111111111 0.22222222222222 0.89723888766507 87.620 > 3 56 Sr 0.44444444444444 0.22222222222222 0.89723888766507 87.620 > 3 57 Sr 0.77777777777778 0.22222222222222 0.89723888766507 87.620 > 3 58 Sr 0.11111111111111 0.55555555555556 0.89723888766507 87.620 > 3 59 Sr 0.44444444444444 0.55555555555556 0.89723888766507 87.620 > 3 60 Sr 0.77777777777778 0.55555555555556 0.89723888766507 87.620 > 3 61 Sr 0.11111111111111 0.88888888888889 0.89723888766507 87.620 > 3 62 Sr 0.44444444444444 0.88888888888889 0.89723888766507 87.620 > 3 63 Sr 0.77777777777778 0.88888888888889 0.89723888766507 87.620 > 3 64 Sr 0.00000000000000 0.00000000000000 0.76942777900159 87.620 > 4 65 Sr 0.33333333333333 0.00000000000000 0.76942777900159 87.620 > 4 66 Sr 0.66666666666667 0.00000000000000 0.76942777900159 87.620 > 4 67 Sr 0.00000000000000 0.33333333333333 0.76942777900159 87.620 > 4 68 Sr 0.33333333333333 0.33333333333333 0.76942777900159 87.620 > 4 69 Sr 0.66666666666667 0.33333333333333 0.76942777900159 87.620 > 4 70 Sr 0.00000000000000 0.66666666666667 0.76942777900159 87.620 > 4 71 Sr 0.33333333333333 0.66666666666667 0.76942777900159 87.620 > 4 72 Sr 0.66666666666667 0.66666666666667 0.76942777900159 87.620 > 4 73 Sr 0.00000000000000 0.00000000000000 0.23057222099841 87.620 > 3 74 Sr 0.33333333333333 0.00000000000000 0.23057222099841 87.620 > 3 75 Sr 0.66666666666667 0.00000000000000 0.23057222099841 87.620 > 3 76 Sr 0.00000000000000 0.33333333333333 0.23057222099841 87.620 > 3 77 Sr 0.33333333333333 0.33333333333333 0.23057222099841 87.620 > 3 78 Sr 0.66666666666667 0.33333333333333 0.23057222099841 87.620 > 3 79 Sr 0.00000000000000 0.66666666666667 0.23057222099841 87.620 > 3 80 Sr 0.33333333333333 0.66666666666667 0.23057222099841 87.620 > 3 81 Sr 0.66666666666667 0.66666666666667 0.23057222099841 87.620 > 3 82 Sr 0.22222222222222 0.11111111111111 0.10276111233493 87.620 > 4 83 Sr 0.55555555555556 0.11111111111111 0.10276111233493 87.620 > 4 84 Sr 0.88888888888889 0.11111111111111 0.10276111233493 87.620 > 4 85 Sr 0.22222222222222 0.44444444444444 0.10276111233493 87.620 > 4 86 Sr 0.55555555555556 0.44444444444444 0.10276111233493 87.620 > 4 87 Sr 0.88888888888889 0.44444444444444 0.10276111233493 87.620 > 4 88 Sr 0.22222222222222 0.77777777777778 0.10276111233493 87.620 > 4 89 Sr 0.55555555555556 0.77777777777778 0.10276111233493 87.620 > 4 90 Sr 0.88888888888889 0.77777777777778 0.10276111233493 87.620 > 4 91 Sr 0.22222222222222 0.11111111111111 0.56390555433174 87.620 > 3 92 Sr 0.55555555555556 0.11111111111111 0.56390555433174 87.620 > 3 93 Sr 0.88888888888889 0.11111111111111 0.56390555433174 87.620 > 3 94 Sr 0.22222222222222 0.44444444444444 0.56390555433174 87.620 > 3 95 Sr 0.55555555555556 0.44444444444444 0.56390555433174 87.620 > 3 96 Sr 0.88888888888889 0.44444444444444 0.56390555433174 87.620 > 3 97 Sr 0.22222222222222 0.77777777777778 0.56390555433174 87.620 > 3 98 Sr 0.55555555555556 0.77777777777778 0.56390555433174 87.620 > 3 99 Sr 0.88888888888889 0.77777777777778 0.56390555433174 87.620 > 3 100 Sr 0.11111111111111 0.22222222222222 0.43609444566826 87.620 > 4 101 Sr 0.44444444444444 0.22222222222222 0.43609444566826 87.620 > 4 102 Sr 0.77777777777778 0.22222222222222 0.43609444566826 87.620 > 4 103 Sr 0.11111111111111 0.55555555555556 0.43609444566826 87.620 > 4 104 Sr 0.44444444444444 0.55555555555556 0.43609444566826 87.620 > 4 105 Sr 0.77777777777778 0.55555555555556 0.43609444566826 87.620 > 4 106 Sr 0.11111111111111 0.88888888888889 0.43609444566826 87.620 > 4 107 Sr 0.44444444444444 0.88888888888889 0.43609444566826 87.620 > 4 108 Sr 0.77777777777778 0.88888888888889 0.43609444566826 87.620 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0234426 -0.0000000 0.0000000 0.0000000 5.0234426 0.0000000 0.0000000 0.0000000 4.5160748-------------------------- Born effective charges -------------------------- 1 N -3.5033889 0.0000000 0.0000000 0.0000000 -3.5033889 0.0000000 0.0000000 0.0000000 -2.1697317 2 Cl -1.2975510 0.0000000 0.0000000 -0.0000000 -1.2975510 0.0000000 0.0000000 0.0000000 -1.8670757 3 Sr 2.4004699 -0.0000000 0.0000000 -0.0000000 2.4004699 0.0000000 0.0000000 0.0000000 2.0184037 4 Sr 2.4004699 -0.0000000 0.0000000 -0.0000000 2.4004699 0.0000000 0.0000000 0.0000000 2.0184037----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.004Solver_block: 80 / 80 - Time: 0.086Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.092--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 05:16:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:16:37]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.926630796844621 1.112340809187263 6.984188266666660 b -1.926630796844617 1.112340809187263 6.984188266666660 c 0.000000000000002 -2.224681618374529 6.984188266666660Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 3 Sr 0.23057222099841 0.23057222099841 0.23057222099841 87.620 4 Sr 0.76942777900159 0.76942777900160 0.76942777900159 87.620-------------------------------- supercell ---------------------------------Lattice vectors: a 11.559784781067714 0.000000000000000 0.000000000000000 b -5.779892390533857 10.011067282685376 0.000000000000000 c 0.000000000000000 0.000000000000000 20.952564800000001Atomic positions (fractional): 1 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 2 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 3 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 4 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 5 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 6 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 7 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 8 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 9 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 10 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 11 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 12 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 13 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 14 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 15 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 16 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 17 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 18 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 19 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 20 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 21 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 22 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 23 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 24 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 25 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 26 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 27 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 28 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 28 29 Cl 0.33333333333333 0.00000000000000 0.00000000000000 35.453 > 28 30 Cl 0.66666666666667 0.00000000000000 0.00000000000000 35.453 > 28 31 Cl 0.00000000000000 0.33333333333333 0.00000000000000 35.453 > 28 32 Cl 0.33333333333333 0.33333333333333 0.00000000000000 35.453 > 28 33 Cl 0.66666666666667 0.33333333333333 0.00000000000000 35.453 > 28 34 Cl 0.00000000000000 0.66666666666667 0.00000000000000 35.453 > 28 35 Cl 0.33333333333333 0.66666666666667 0.00000000000000 35.453 > 28 36 Cl 0.66666666666667 0.66666666666667 0.00000000000000 35.453 > 28 37 Cl 0.22222222222222 0.11111111111111 0.33333333333333 35.453 > 28 38 Cl 0.55555555555556 0.11111111111111 0.33333333333333 35.453 > 28 39 Cl 0.88888888888889 0.11111111111111 0.33333333333333 35.453 > 28 40 Cl 0.22222222222222 0.44444444444444 0.33333333333333 35.453 > 28 41 Cl 0.55555555555556 0.44444444444444 0.33333333333333 35.453 > 28 42 Cl 0.88888888888889 0.44444444444444 0.33333333333333 35.453 > 28 43 Cl 0.22222222222222 0.77777777777778 0.33333333333333 35.453 > 28 44 Cl 0.55555555555556 0.77777777777778 0.33333333333333 35.453 > 28 45 Cl 0.88888888888889 0.77777777777778 0.33333333333333 35.453 > 28 46 Cl 0.11111111111111 0.22222222222222 0.66666666666667 35.453 > 28 47 Cl 0.44444444444444 0.22222222222222 0.66666666666667 35.453 > 28 48 Cl 0.77777777777778 0.22222222222222 0.66666666666667 35.453 > 28 49 Cl 0.11111111111111 0.55555555555556 0.66666666666667 35.453 > 28 50 Cl 0.44444444444444 0.55555555555556 0.66666666666667 35.453 > 28 51 Cl 0.77777777777778 0.55555555555556 0.66666666666667 35.453 > 28 52 Cl 0.11111111111111 0.88888888888889 0.66666666666667 35.453 > 28 53 Cl 0.44444444444444 0.88888888888889 0.66666666666667 35.453 > 28 54 Cl 0.77777777777778 0.88888888888889 0.66666666666667 35.453 > 28 55 Sr 0.11111111111111 0.22222222222222 0.89723888766507 87.620 > 55 56 Sr 0.44444444444444 0.22222222222222 0.89723888766507 87.620 > 55 57 Sr 0.77777777777778 0.22222222222222 0.89723888766507 87.620 > 55 58 Sr 0.11111111111111 0.55555555555556 0.89723888766507 87.620 > 55 59 Sr 0.44444444444444 0.55555555555556 0.89723888766507 87.620 > 55 60 Sr 0.77777777777778 0.55555555555556 0.89723888766507 87.620 > 55 61 Sr 0.11111111111111 0.88888888888889 0.89723888766507 87.620 > 55 62 Sr 0.44444444444444 0.88888888888889 0.89723888766507 87.620 > 55 63 Sr 0.77777777777778 0.88888888888889 0.89723888766507 87.620 > 55 64 Sr 0.00000000000000 0.00000000000000 0.76942777900159 87.620 > 64 65 Sr 0.33333333333333 0.00000000000000 0.76942777900159 87.620 > 64 66 Sr 0.66666666666667 0.00000000000000 0.76942777900159 87.620 > 64 67 Sr 0.00000000000000 0.33333333333333 0.76942777900159 87.620 > 64 68 Sr 0.33333333333333 0.33333333333333 0.76942777900159 87.620 > 64 69 Sr 0.66666666666667 0.33333333333333 0.76942777900159 87.620 > 64 70 Sr 0.00000000000000 0.66666666666667 0.76942777900159 87.620 > 64 71 Sr 0.33333333333333 0.66666666666667 0.76942777900159 87.620 > 64 72 Sr 0.66666666666667 0.66666666666667 0.76942777900159 87.620 > 64 73 Sr 0.00000000000000 0.00000000000000 0.23057222099841 87.620 > 55 74 Sr 0.33333333333333 0.00000000000000 0.23057222099841 87.620 > 55 75 Sr 0.66666666666667 0.00000000000000 0.23057222099841 87.620 > 55 76 Sr 0.00000000000000 0.33333333333333 0.23057222099841 87.620 > 55 77 Sr 0.33333333333333 0.33333333333333 0.23057222099841 87.620 > 55 78 Sr 0.66666666666667 0.33333333333333 0.23057222099841 87.620 > 55 79 Sr 0.00000000000000 0.66666666666667 0.23057222099841 87.620 > 55 80 Sr 0.33333333333333 0.66666666666667 0.23057222099841 87.620 > 55 81 Sr 0.66666666666667 0.66666666666667 0.23057222099841 87.620 > 55 82 Sr 0.22222222222222 0.11111111111111 0.10276111233493 87.620 > 64 83 Sr 0.55555555555556 0.11111111111111 0.10276111233493 87.620 > 64 84 Sr 0.88888888888889 0.11111111111111 0.10276111233493 87.620 > 64 85 Sr 0.22222222222222 0.44444444444444 0.10276111233493 87.620 > 64 86 Sr 0.55555555555556 0.44444444444444 0.10276111233493 87.620 > 64 87 Sr 0.88888888888889 0.44444444444444 0.10276111233493 87.620 > 64 88 Sr 0.22222222222222 0.77777777777778 0.10276111233493 87.620 > 64 89 Sr 0.55555555555556 0.77777777777778 0.10276111233493 87.620 > 64 90 Sr 0.88888888888889 0.77777777777778 0.10276111233493 87.620 > 64 91 Sr 0.22222222222222 0.11111111111111 0.56390555433174 87.620 > 55 92 Sr 0.55555555555556 0.11111111111111 0.56390555433174 87.620 > 55 93 Sr 0.88888888888889 0.11111111111111 0.56390555433174 87.620 > 55 94 Sr 0.22222222222222 0.44444444444444 0.56390555433174 87.620 > 55 95 Sr 0.55555555555556 0.44444444444444 0.56390555433174 87.620 > 55 96 Sr 0.88888888888889 0.44444444444444 0.56390555433174 87.620 > 55 97 Sr 0.22222222222222 0.77777777777778 0.56390555433174 87.620 > 55 98 Sr 0.55555555555556 0.77777777777778 0.56390555433174 87.620 > 55 99 Sr 0.88888888888889 0.77777777777778 0.56390555433174 87.620 > 55 100 Sr 0.11111111111111 0.22222222222222 0.43609444566826 87.620 > 64 101 Sr 0.44444444444444 0.22222222222222 0.43609444566826 87.620 > 64 102 Sr 0.77777777777778 0.22222222222222 0.43609444566826 87.620 > 64 103 Sr 0.11111111111111 0.55555555555556 0.43609444566826 87.620 > 64 104 Sr 0.44444444444444 0.55555555555556 0.43609444566826 87.620 > 64 105 Sr 0.77777777777778 0.55555555555556 0.43609444566826 87.620 > 64 106 Sr 0.11111111111111 0.88888888888889 0.43609444566826 87.620 > 64 107 Sr 0.44444444444444 0.88888888888889 0.43609444566826 87.620 > 64 108 Sr 0.77777777777778 0.88888888888889 0.43609444566826 87.620 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0234426 -0.0000000 0.0000000 0.0000000 5.0234426 0.0000000 0.0000000 0.0000000 4.5160748-------------------------- Born effective charges -------------------------- 1 N -3.5033889 0.0000000 0.0000000 0.0000000 -3.5033889 0.0000000 0.0000000 0.0000000 -2.1697317 2 Cl -1.2975510 0.0000000 0.0000000 -0.0000000 -1.2975510 0.0000000 0.0000000 0.0000000 -1.8670757 3 Sr 2.4004699 -0.0000000 0.0000000 -0.0000000 2.4004699 0.0000000 0.0000000 0.0000000 2.0184037 4 Sr 2.4004699 -0.0000000 0.0000000 -0.0000000 2.4004699 0.0000000 0.0000000 0.0000000 2.0184037----------------------------------------------------------------------------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[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 05:16:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:16:41]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.926630796844621 1.112340809187263 6.984188266666660 b -1.926630796844617 1.112340809187263 6.984188266666660 c 0.000000000000002 -2.224681618374529 6.984188266666660Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 3 Sr 0.23057222099841 0.23057222099841 0.23057222099841 87.620 4 Sr 0.76942777900159 0.76942777900160 0.76942777900159 87.620-------------------------------- supercell ---------------------------------Lattice vectors: a 11.559784781067714 0.000000000000000 0.000000000000000 b -5.779892390533857 10.011067282685376 0.000000000000000 c 0.000000000000000 0.000000000000000 20.952564800000001Atomic positions (fractional): 1 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 2 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 3 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 4 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 5 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 6 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 7 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 8 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 9 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 10 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 11 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 12 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 13 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 14 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 15 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 16 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 17 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 18 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 19 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 20 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 21 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 22 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 23 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 24 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 25 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 26 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 27 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 28 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 28 29 Cl 0.33333333333333 0.00000000000000 0.00000000000000 35.453 > 28 30 Cl 0.66666666666667 0.00000000000000 0.00000000000000 35.453 > 28 31 Cl 0.00000000000000 0.33333333333333 0.00000000000000 35.453 > 28 32 Cl 0.33333333333333 0.33333333333333 0.00000000000000 35.453 > 28 33 Cl 0.66666666666667 0.33333333333333 0.00000000000000 35.453 > 28 34 Cl 0.00000000000000 0.66666666666667 0.00000000000000 35.453 > 28 35 Cl 0.33333333333333 0.66666666666667 0.00000000000000 35.453 > 28 36 Cl 0.66666666666667 0.66666666666667 0.00000000000000 35.453 > 28 37 Cl 0.22222222222222 0.11111111111111 0.33333333333333 35.453 > 28 38 Cl 0.55555555555556 0.11111111111111 0.33333333333333 35.453 > 28 39 Cl 0.88888888888889 0.11111111111111 0.33333333333333 35.453 > 28 40 Cl 0.22222222222222 0.44444444444444 0.33333333333333 35.453 > 28 41 Cl 0.55555555555556 0.44444444444444 0.33333333333333 35.453 > 28 42 Cl 0.88888888888889 0.44444444444444 0.33333333333333 35.453 > 28 43 Cl 0.22222222222222 0.77777777777778 0.33333333333333 35.453 > 28 44 Cl 0.55555555555556 0.77777777777778 0.33333333333333 35.453 > 28 45 Cl 0.88888888888889 0.77777777777778 0.33333333333333 35.453 > 28 46 Cl 0.11111111111111 0.22222222222222 0.66666666666667 35.453 > 28 47 Cl 0.44444444444444 0.22222222222222 0.66666666666667 35.453 > 28 48 Cl 0.77777777777778 0.22222222222222 0.66666666666667 35.453 > 28 49 Cl 0.11111111111111 0.55555555555556 0.66666666666667 35.453 > 28 50 Cl 0.44444444444444 0.55555555555556 0.66666666666667 35.453 > 28 51 Cl 0.77777777777778 0.55555555555556 0.66666666666667 35.453 > 28 52 Cl 0.11111111111111 0.88888888888889 0.66666666666667 35.453 > 28 53 Cl 0.44444444444444 0.88888888888889 0.66666666666667 35.453 > 28 54 Cl 0.77777777777778 0.88888888888889 0.66666666666667 35.453 > 28 55 Sr 0.11111111111111 0.22222222222222 0.89723888766507 87.620 > 55 56 Sr 0.44444444444444 0.22222222222222 0.89723888766507 87.620 > 55 57 Sr 0.77777777777778 0.22222222222222 0.89723888766507 87.620 > 55 58 Sr 0.11111111111111 0.55555555555556 0.89723888766507 87.620 > 55 59 Sr 0.44444444444444 0.55555555555556 0.89723888766507 87.620 > 55 60 Sr 0.77777777777778 0.55555555555556 0.89723888766507 87.620 > 55 61 Sr 0.11111111111111 0.88888888888889 0.89723888766507 87.620 > 55 62 Sr 0.44444444444444 0.88888888888889 0.89723888766507 87.620 > 55 63 Sr 0.77777777777778 0.88888888888889 0.89723888766507 87.620 > 55 64 Sr 0.00000000000000 0.00000000000000 0.76942777900159 87.620 > 64 65 Sr 0.33333333333333 0.00000000000000 0.76942777900159 87.620 > 64 66 Sr 0.66666666666667 0.00000000000000 0.76942777900159 87.620 > 64 67 Sr 0.00000000000000 0.33333333333333 0.76942777900159 87.620 > 64 68 Sr 0.33333333333333 0.33333333333333 0.76942777900159 87.620 > 64 69 Sr 0.66666666666667 0.33333333333333 0.76942777900159 87.620 > 64 70 Sr 0.00000000000000 0.66666666666667 0.76942777900159 87.620 > 64 71 Sr 0.33333333333333 0.66666666666667 0.76942777900159 87.620 > 64 72 Sr 0.66666666666667 0.66666666666667 0.76942777900159 87.620 > 64 73 Sr 0.00000000000000 0.00000000000000 0.23057222099841 87.620 > 55 74 Sr 0.33333333333333 0.00000000000000 0.23057222099841 87.620 > 55 75 Sr 0.66666666666667 0.00000000000000 0.23057222099841 87.620 > 55 76 Sr 0.00000000000000 0.33333333333333 0.23057222099841 87.620 > 55 77 Sr 0.33333333333333 0.33333333333333 0.23057222099841 87.620 > 55 78 Sr 0.66666666666667 0.33333333333333 0.23057222099841 87.620 > 55 79 Sr 0.00000000000000 0.66666666666667 0.23057222099841 87.620 > 55 80 Sr 0.33333333333333 0.66666666666667 0.23057222099841 87.620 > 55 81 Sr 0.66666666666667 0.66666666666667 0.23057222099841 87.620 > 55 82 Sr 0.22222222222222 0.11111111111111 0.10276111233493 87.620 > 64 83 Sr 0.55555555555556 0.11111111111111 0.10276111233493 87.620 > 64 84 Sr 0.88888888888889 0.11111111111111 0.10276111233493 87.620 > 64 85 Sr 0.22222222222222 0.44444444444444 0.10276111233493 87.620 > 64 86 Sr 0.55555555555556 0.44444444444444 0.10276111233493 87.620 > 64 87 Sr 0.88888888888889 0.44444444444444 0.10276111233493 87.620 > 64 88 Sr 0.22222222222222 0.77777777777778 0.10276111233493 87.620 > 64 89 Sr 0.55555555555556 0.77777777777778 0.10276111233493 87.620 > 64 90 Sr 0.88888888888889 0.77777777777778 0.10276111233493 87.620 > 64 91 Sr 0.22222222222222 0.11111111111111 0.56390555433174 87.620 > 55 92 Sr 0.55555555555556 0.11111111111111 0.56390555433174 87.620 > 55 93 Sr 0.88888888888889 0.11111111111111 0.56390555433174 87.620 > 55 94 Sr 0.22222222222222 0.44444444444444 0.56390555433174 87.620 > 55 95 Sr 0.55555555555556 0.44444444444444 0.56390555433174 87.620 > 55 96 Sr 0.88888888888889 0.44444444444444 0.56390555433174 87.620 > 55 97 Sr 0.22222222222222 0.77777777777778 0.56390555433174 87.620 > 55 98 Sr 0.55555555555556 0.77777777777778 0.56390555433174 87.620 > 55 99 Sr 0.88888888888889 0.77777777777778 0.56390555433174 87.620 > 55 100 Sr 0.11111111111111 0.22222222222222 0.43609444566826 87.620 > 64 101 Sr 0.44444444444444 0.22222222222222 0.43609444566826 87.620 > 64 102 Sr 0.77777777777778 0.22222222222222 0.43609444566826 87.620 > 64 103 Sr 0.11111111111111 0.55555555555556 0.43609444566826 87.620 > 64 104 Sr 0.44444444444444 0.55555555555556 0.43609444566826 87.620 > 64 105 Sr 0.77777777777778 0.55555555555556 0.43609444566826 87.620 > 64 106 Sr 0.11111111111111 0.88888888888889 0.43609444566826 87.620 > 64 107 Sr 0.44444444444444 0.88888888888889 0.43609444566826 87.620 > 64 108 Sr 0.77777777777778 0.88888888888889 0.43609444566826 87.620 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.0234426 -0.0000000 0.0000000 0.0000000 5.0234426 0.0000000 0.0000000 0.0000000 4.5160748-------------------------- Born effective charges -------------------------- 1 N -3.5033889 0.0000000 0.0000000 0.0000000 -3.5033889 0.0000000 0.0000000 0.0000000 -2.1697317 2 Cl -1.2975510 0.0000000 0.0000000 -0.0000000 -1.2975510 0.0000000 0.0000000 0.0000000 -1.8670757 3 Sr 2.4004699 -0.0000000 0.0000000 -0.0000000 2.4004699 0.0000000 0.0000000 0.0000000 2.0184037 4 Sr 2.4004699 -0.0000000 0.0000000 -0.0000000 2.4004699 0.0000000 0.0000000 0.0000000 2.0184037----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 15 ]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: 0.93, Number of G-points: 313, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating 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 3.257 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.480 ( 21.049 12.153 -0.395) 24.308 0.504 ( 22.449 12.961 -3.473) 26.153 1.013 ( 41.544 23.986 12.276) 49.517 3.274 ( 1.460 0.843 -0.437) 1.742 3.341 ( 7.329 4.232 -2.430) 8.805 3.371 ( 1.410 0.814 0.761) 1.797 3.905 ( 6.290 3.631 -5.714) 9.241 4.928 ( -1.601 -0.924 7.493) 7.718 6.043 ( -5.151 -2.974 0.310) 5.956 7.553 ( -1.083 -0.625 0.121) 1.256 11.443 ( 0.256 0.148 -47.162) 47.163 12.553 ( -5.871 -3.390 16.492) 17.831======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 21.901 12.644 -2.947) 25.460 1.013 ( 22.520 13.002 -3.093) 26.187 1.978 ( 38.602 22.287 10.359) 45.762 3.319 ( 2.464 1.423 -0.396) 2.873 3.421 ( 2.643 1.526 0.971) 3.203 3.560 ( 12.055 6.960 -4.418) 14.604 4.076 ( 8.950 5.167 -0.938) 10.377 4.913 ( -0.564 -0.325 0.292) 0.713 5.877 ( -9.051 -5.226 0.693) 10.474 7.528 ( -0.883 -0.510 0.186) 1.036 11.187 ( -16.460 -9.503 -0.004) 19.006 12.470 ( -1.209 -0.698 -12.401) 12.479======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 22.488 12.984 -5.628) 26.570 1.517 ( 21.697 12.527 -2.754) 25.204 2.841 ( 33.334 19.246 7.618) 39.238 3.380 ( 2.769 1.599 0.207) 3.204 3.496 ( 3.555 2.052 0.585) 4.146 3.844 ( 13.386 7.728 -5.989) 16.576 4.287 ( 8.571 4.948 2.171) 10.132 4.915 ( 1.286 0.742 -1.983) 2.477 5.647 ( -10.606 -6.123 0.772) 12.271 7.527 ( 0.975 0.563 0.170) 1.139 10.684 ( -28.053 -16.197 9.980) 33.896 12.428 ( 1.255 0.724 -15.774) 15.840======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( 22.867 13.202 -7.337) 27.405 1.984 ( 19.215 11.094 -2.619) 22.341 3.444 ( 2.470 1.426 0.951) 3.006 3.545 ( 25.637 14.801 4.295) 29.912 3.585 ( 3.928 2.268 0.104) 4.537 4.110 ( 10.846 6.262 -7.614) 14.656 4.461 ( 4.925 2.844 6.351) 8.526 4.972 ( 3.876 2.238 -1.274) 4.654 5.425 ( -7.594 -4.385 -0.669) 8.795 7.580 ( 3.608 2.083 0.105) 4.167 9.992 ( -33.641 -19.423 8.806) 39.831 12.416 ( 1.218 0.703 -11.446) 11.532======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( 14.965 8.640 -2.536) 17.465 2.478 ( 23.069 13.319 -7.546) 27.686 3.497 ( 1.807 1.043 1.389) 2.506 3.673 ( 3.566 2.059 -0.105) 4.118 4.028 ( 14.658 8.463 -2.673) 17.136 4.279 ( 6.457 3.728 -3.918) 8.423 4.546 ( 0.018 0.011 11.153) 11.153 5.029 ( 0.143 0.083 0.104) 0.195 5.373 ( 4.807 2.775 -3.636) 6.635 7.687 ( 5.341 3.084 0.050) 6.167 9.232 ( -33.208 -19.173 5.804) 38.782 12.406 ( 0.506 0.292 -6.948) 6.973======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( 9.458 5.461 -2.055) 11.113 2.980 ( 22.084 12.750 -6.384) 26.288 3.534 ( 1.004 0.580 1.290) 1.734 3.743 ( 2.479 1.431 -0.102) 2.864 4.112 ( -4.056 -2.342 -7.385) 8.745 4.478 ( 8.493 4.903 5.272) 11.134 4.551 ( -0.965 -0.557 8.303) 8.378 5.018 ( -0.290 -0.168 -1.594) 1.629 5.540 ( 8.251 4.764 -2.812) 9.933 7.809 ( 4.802 2.773 0.027) 5.545 8.552 ( -25.625 -14.795 3.094) 29.751 12.396 ( 0.072 0.041 -3.592) 3.593======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 3.240 1.871 -0.825) 3.831 3.423 ( 16.004 9.240 -3.679) 18.842 3.552 ( 0.296 0.171 0.544) 0.642 3.783 ( 0.886 0.511 -0.036) 1.023 3.910 ( -10.222 -5.902 -0.537) 11.816 4.528 ( -0.506 -0.292 2.149) 2.228 4.667 ( 3.993 2.305 2.762) 5.375 5.004 ( -0.389 -0.225 -1.287) 1.363 5.676 ( 3.372 1.947 -1.025) 4.026 7.890 ( 1.926 1.112 0.011) 2.224 8.133 ( -9.949 -5.744 0.939) 11.526 12.389 ( -0.017 -0.010 -1.096) 1.096======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 0.000 23.943 13.621) 27.546 0.593 ( 0.000 25.015 14.139) 28.734 0.978 ( -0.000 46.352 6.329) 46.782 3.228 ( -0.000 0.446 -7.906) 7.918 3.348 ( -0.000 8.974 -1.094) 9.040 3.406 ( 0.000 2.448 5.825) 6.319 3.872 ( -0.000 9.639 -11.145) 14.735 4.959 ( 0.000 -6.004 12.349) 13.731 6.044 ( 0.000 -6.022 0.786) 6.073 7.553 ( 0.000 -1.278 0.062) 1.279 11.165 ( -0.000 20.182 -85.004) 87.367 12.685 ( 0.000 -13.318 28.896) 31.817======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( 6.162 21.541 11.257) 25.074 1.015 ( 9.198 27.432 1.802) 28.989 1.716 ( 26.339 35.707 9.964) 45.476 3.257 ( 4.825 0.931 -8.103) 9.476 3.429 ( -0.245 4.764 5.300) 7.131 3.505 ( 4.463 10.509 -2.623) 11.715 4.000 ( 5.916 8.672 -4.112) 11.274 4.922 ( -1.136 -2.254 1.512) 2.942 5.933 ( -4.700 -8.261 1.054) 9.563 7.535 ( -0.522 -1.048 0.173) 1.183 11.151 ( 4.079 -7.002 -26.082) 27.312 12.530 ( -9.371 -3.354 0.377) 9.960======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 14.909 18.368 3.924) 23.980 1.461 ( 11.315 25.965 -1.707) 28.375 2.547 ( 28.709 26.914 8.425) 40.244 3.345 ( 5.299 3.472 -7.395) 9.738 3.497 ( 0.784 4.659 6.298) 7.873 3.717 ( 8.669 10.737 -6.046) 15.066 4.200 ( 8.058 7.103 0.430) 10.750 4.897 ( 0.256 -0.316 -2.846) 2.875 5.737 ( -7.862 -9.101 1.220) 12.088 7.528 ( 0.191 0.737 0.268) 0.807 10.908 ( -13.110 -19.606 3.946) 23.913 12.376 ( -3.164 0.489 -15.497) 15.824======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 18.151 16.359 -1.081) 24.459 1.906 ( 12.250 23.198 -2.856) 26.389 3.245 ( 22.141 14.224 4.293) 26.664 3.468 ( 6.134 9.242 -6.837) 13.030 3.594 ( 1.624 7.719 7.044) 10.576 3.960 ( 10.692 7.521 -7.449) 15.045 4.400 ( 7.141 4.143 4.072) 9.205 4.919 ( 3.134 1.355 -3.107) 4.616 5.507 ( -8.398 -7.854 0.649) 11.516 7.568 ( 1.913 3.916 0.303) 4.369 10.361 ( -27.096 -22.027 9.491) 36.186 12.322 ( 2.268 -1.520 -14.737) 14.988======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( 18.839 14.713 -2.963) 24.087 2.320 ( 11.998 19.783 -3.974) 23.475 3.487 ( 3.368 4.243 -2.698) 6.052 3.657 ( 3.604 4.799 0.856) 6.062 3.894 ( 12.859 16.419 0.302) 20.858 4.168 ( 8.995 4.041 -4.913) 11.017 4.540 ( 3.946 0.221 8.118) 9.029 5.001 ( 3.928 1.128 -0.841) 4.172 5.340 ( -2.285 -2.777 -1.970) 4.101 7.673 ( 3.287 7.486 0.324) 8.182 9.645 ( -33.028 -19.873 7.219) 39.216 12.310 ( 3.981 -4.653 -9.532) 11.330======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 10.046 13.452 -1.000) 16.819 2.729 ( 18.335 15.234 -6.353) 24.670 3.554 ( 0.714 4.734 -3.393) 5.868 3.749 ( 1.122 4.901 2.082) 5.442 4.106 ( 0.978 3.665 -10.061) 10.752 4.384 ( 10.260 5.924 5.524) 13.072 4.586 ( -0.314 -2.345 9.518) 9.807 5.018 ( -0.650 -0.640 -0.819) 1.226 5.408 ( 9.029 2.225 -2.971) 9.762 7.819 ( 2.859 9.918 0.382) 10.329 8.919 ( -31.579 -14.394 4.231) 34.962 12.302 ( 4.536 -6.926 -5.260) 9.809======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.801 ( 2.540 10.402 -0.509) 10.719 3.181 ( 19.444 10.341 -4.739) 22.527 3.591 ( -0.218 4.973 -4.806) 6.919 3.804 ( -1.084 3.777 3.024) 4.958 4.019 ( -7.516 -1.815 -5.123) 9.275 4.555 ( -0.767 -0.396 5.397) 5.466 4.615 ( 5.546 2.442 4.611) 7.615 5.001 ( -0.224 -0.394 -1.613) 1.675 5.577 ( 8.245 -0.074 -1.133) 8.322 7.954 ( 0.914 9.567 0.504) 9.624 8.350 ( -22.789 -4.634 1.768) 23.322 12.297 ( 5.010 -8.137 -2.289) 9.826======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( -3.551 6.566 0.508) 7.482 3.451 ( 2.394 -3.461 -0.722) 4.270 3.671 ( 3.137 10.179 -6.299) 12.374 3.752 ( -5.478 -3.292 4.334) 7.722 3.896 ( -2.370 5.272 -1.967) 6.105 4.539 ( -1.426 0.136 1.860) 2.348 4.682 ( -0.538 -1.489 -0.645) 1.709 4.999 ( 0.679 -0.023 0.499) 0.843 5.654 ( 2.676 -3.956 0.894) 4.859 8.040 ( 1.731 -3.838 0.496) 4.240 8.092 ( -10.695 18.385 -0.046) 21.269 12.300 ( 5.440 -8.409 -0.071) 10.016======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( -9.852 2.697 1.622) 10.343 3.218 ( -16.312 -11.660 2.917) 20.262 3.615 ( -6.643 5.493 -0.087) 8.620 3.792 ( -1.567 1.584 0.872) 2.393 4.039 ( 9.235 6.409 -1.442) 11.333 4.515 ( -1.800 -0.797 -2.548) 3.219 4.573 ( -6.520 -3.880 -3.754) 8.465 5.017 ( 0.587 -0.084 1.717) 1.816 5.595 ( -3.528 -6.894 2.593) 8.167 7.951 ( -8.512 3.550 -0.198) 9.225 8.335 ( 14.158 17.402 -1.171) 22.464 12.317 ( 5.601 -7.907 1.975) 9.889======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( -16.208 -2.409 2.364) 16.556 2.786 ( -21.445 -9.015 5.584) 23.923 3.560 ( -5.213 3.814 -2.161) 6.811 3.748 ( -4.993 1.140 1.972) 5.488 4.182 ( -3.287 0.624 4.437) 5.557 4.342 ( -6.747 -5.136 -2.610) 8.871 4.492 ( -0.285 -1.303 -9.095) 9.192 5.025 ( 0.211 -0.257 0.616) 0.700 5.441 ( -6.091 -6.606 3.585) 9.674 7.817 ( -9.873 2.224 -0.179) 10.122 8.883 ( 26.781 19.968 -3.330) 33.571 12.348 ( 5.275 -6.832 4.266) 9.628======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -21.521 -9.549 3.815) 23.852 2.365 ( -23.315 -2.057 5.204) 23.977 3.485 ( -5.513 0.302 -2.832) 6.205 3.663 ( -6.006 -0.055 2.010) 6.334 3.873 ( -22.881 -4.586 -3.138) 23.546 4.239 ( -7.456 -5.272 8.757) 12.652 4.451 ( 0.454 -2.186 -10.066) 10.310 5.004 ( -2.100 -2.180 -0.312) 3.043 5.362 ( 2.160 -0.360 2.496) 3.320 7.671 ( -8.046 0.725 -0.157) 8.080 9.583 ( 32.007 18.671 -5.576) 37.472 12.389 ( 4.371 -5.304 6.864) 9.714======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -23.547 -10.120 3.674) 25.891 1.943 ( -26.267 -0.046 4.602) 26.667 3.204 ( -26.069 -12.089 -4.005) 29.014 3.492 ( -11.599 4.441 -5.211) 13.469 3.562 ( -5.923 -1.635 3.709) 7.177 4.023 ( -12.368 -5.772 4.951) 14.519 4.361 ( -5.354 -3.362 -3.581) 7.266 4.938 ( -2.110 -1.576 0.847) 2.766 5.505 ( 10.342 3.002 0.062) 10.769 7.566 ( -4.315 0.212 -0.149) 4.323 10.282 ( 31.299 13.674 -6.876) 34.841 12.437 ( 3.136 -3.213 8.950) 10.013======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( -24.368 -7.806 2.090) 25.673 1.488 ( -28.234 1.027 3.702) 28.494 2.483 ( -39.650 -9.986 -4.672) 41.154 3.382 ( -5.580 1.876 -2.573) 6.425 3.463 ( -4.355 -2.047 1.966) 5.198 3.759 ( -13.863 -2.935 2.505) 14.390 4.194 ( -8.862 -2.700 -0.805) 9.299 4.912 ( -0.379 -0.286 0.523) 0.706 5.729 ( 11.713 2.256 -0.317) 11.932 7.526 ( -0.726 0.205 -0.108) 0.762 10.866 ( 26.292 6.384 -4.753) 27.470 12.489 ( 2.072 -0.760 7.625) 7.938======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( -23.901 0.000 0.000) 23.901 1.008 ( -28.920 0.000 0.000) 28.920 1.667 ( -45.909 0.000 0.000) 45.909 3.308 ( -3.296 0.000 0.000) 3.296 3.389 ( -3.199 0.000 0.000) 3.199 3.519 ( -12.140 0.000 0.000) 12.140 4.022 ( -8.596 0.000 0.000) 8.596 4.912 ( 0.196 -0.000 -0.000) 0.196 5.928 ( 9.475 -0.000 -0.000) 9.475 7.534 ( 1.169 -0.000 -0.000) 1.169 11.284 ( 19.094 -0.000 -0.000) 19.094 12.528 ( 0.903 -0.000 -0.000) 0.903======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.000 24.831 10.884) 27.112 1.174 ( 0.000 24.501 12.478) 27.496 1.920 ( -0.000 43.782 5.551) 44.132 3.189 ( -0.000 1.338 -9.573) 9.666 3.507 ( 0.000 3.854 5.650) 6.839 3.572 ( -0.000 13.890 -3.262) 14.268 4.040 ( -0.000 11.479 -3.717) 12.066 4.907 ( -0.000 -2.444 -1.251) 2.745 5.882 ( 0.000 -10.539 1.365) 10.627 7.527 ( 0.000 -1.049 0.098) 1.053 10.937 ( -0.000 -9.199 -22.579) 24.381 12.589 ( 0.000 -4.590 -1.140) 4.729======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 0.251 24.428 10.763) 26.695 1.567 ( 8.070 25.322 4.562) 26.966 2.498 ( 14.892 36.334 5.849) 39.701 3.231 ( 6.200 2.207 -9.500) 11.557 3.570 ( 0.428 5.618 5.814) 8.096 3.722 ( 2.668 12.939 -5.880) 14.461 4.182 ( 3.762 10.553 -0.112) 11.204 4.879 ( -0.045 -0.639 -4.358) 4.405 5.741 ( -3.883 -11.235 1.523) 11.984 7.527 ( 0.690 0.517 0.239) 0.895 10.773 ( 1.320 -21.686 -4.507) 22.189 12.459 ( -8.161 -0.286 -9.729) 12.702======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 6.971 22.645 5.418) 24.306 1.971 ( 8.764 24.732 0.712) 26.248 3.102 ( 16.150 23.084 3.639) 28.407 3.379 ( 9.539 5.735 -9.206) 14.444 3.685 ( 2.302 9.793 6.486) 11.969 3.878 ( 5.088 9.365 -7.496) 13.030 4.357 ( 4.879 7.225 3.390) 9.354 4.877 ( 1.568 1.087 -4.759) 5.127 5.549 ( -6.104 -9.790 1.212) 11.600 7.576 ( 2.381 4.100 0.536) 4.771 10.461 ( -9.540 -27.937 5.807) 30.087 12.294 ( -5.909 0.334 -13.277) 14.536======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 11.636 19.982 0.524) 23.129 2.360 ( 8.408 22.651 -0.540) 24.167 3.442 ( 6.632 7.528 -3.173) 10.522 3.610 ( 8.770 8.523 -4.782) 13.131 3.917 ( 6.813 16.207 1.610) 17.655 4.046 ( 7.952 6.252 -2.770) 10.488 4.498 ( 3.782 2.181 6.493) 7.824 4.931 ( 4.285 1.765 -2.938) 5.487 5.366 ( -5.329 -5.750 -0.294) 7.845 7.698 ( 3.967 8.645 0.888) 9.553 9.939 ( -21.429 -24.826 6.688) 33.470 12.182 ( -0.544 -4.348 -10.591) 11.462======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( 14.657 17.305 -1.439) 22.724 2.698 ( 6.537 19.340 -1.405) 20.463 3.559 ( 2.465 5.182 -7.203) 9.209 3.780 ( 3.591 7.132 -0.454) 7.998 4.106 ( 2.966 6.302 -7.911) 10.540 4.302 ( 9.040 10.344 6.098) 15.030 4.569 ( 2.051 -2.355 8.401) 8.963 5.006 ( 2.189 0.081 -0.594) 2.269 5.296 ( 2.755 -0.389 -2.628) 3.827 7.873 ( 3.748 10.797 1.340) 11.507 9.321 ( -27.273 -14.774 4.065) 31.283 12.111 ( 3.576 -10.010 -6.510) 12.465======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.879 ( 7.253 15.701 1.046) 17.326 2.985 ( 11.507 13.509 -4.101) 18.213 3.600 ( 0.942 2.657 -9.100) 9.527 3.886 ( 0.291 7.209 1.628) 7.396 4.122 ( -4.750 4.151 -3.761) 7.344 4.534 ( 6.122 4.811 4.909) 9.204 4.590 ( 0.855 -1.729 6.047) 6.347 5.003 ( -0.963 -0.089 -1.063) 1.437 5.406 ( 9.236 -1.283 -1.436) 9.434 8.003 ( 0.753 3.211 1.945) 3.829 8.805 ( -25.284 5.583 1.127) 25.917 12.063 ( 6.743 -14.216 -3.311) 16.079======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( -3.383 12.705 0.976) 13.184 3.318 ( 12.222 4.897 -1.435) 13.245 3.600 ( 2.386 0.633 -9.970) 10.271 3.945 ( -3.812 7.768 4.332) 9.677 4.025 ( -8.858 4.836 -1.950) 10.278 4.579 ( -1.458 0.400 3.348) 3.673 4.656 ( 2.129 -0.145 0.620) 2.223 4.990 ( 0.103 0.033 -0.143) 0.179 5.522 ( 7.132 -5.150 0.763) 8.830 7.966 ( -0.171 -7.705 1.496) 7.850 8.605 ( -19.202 27.475 -0.204) 33.521 12.043 ( 9.333 -16.107 -1.055) 18.646======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( -9.249 8.390 0.950) 12.523 3.324 ( -7.333 -7.284 -0.869) 10.373 3.727 ( 8.548 1.255 0.148) 8.641 3.875 ( -10.756 9.566 -0.564) 14.406 4.018 ( -0.221 7.496 -2.436) 7.885 4.546 ( -3.155 -1.076 -0.748) 3.417 4.626 ( -3.562 -1.621 -1.214) 4.098 5.006 ( 1.068 0.003 1.371) 1.738 5.541 ( 1.966 -8.069 2.463) 8.663 7.952 ( 5.453 -4.437 0.153) 7.032 8.604 ( -14.399 30.392 -0.275) 33.631 12.060 ( 10.951 -15.340 0.676) 18.860======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.879 ( -15.915 0.941 1.018) 15.976 3.048 ( -15.238 -4.801 2.040) 16.106 3.736 ( -8.392 4.656 3.342) 10.163 3.858 ( -3.188 4.520 0.559) 5.559 4.133 ( 7.269 4.667 -5.115) 10.039 4.422 ( -6.947 -4.026 -5.477) 9.720 4.527 ( -6.388 -1.011 1.043) 6.551 5.021 ( 0.283 -0.285 0.819) 0.912 5.455 ( -2.696 -8.245 3.164) 9.234 7.979 ( -2.681 0.077 -0.400) 2.712 8.783 ( 5.332 25.040 -1.125) 25.626 12.119 ( 11.161 -12.361 2.160) 16.793======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( -21.334 -5.243 2.048) 22.064 2.745 ( -19.343 0.876 2.594) 19.536 3.628 ( -9.212 2.910 -0.122) 9.662 3.798 ( -7.495 1.938 1.781) 7.943 4.192 ( -15.722 1.657 -4.719) 16.498 4.280 ( 4.888 -2.028 4.847) 7.176 4.384 ( -4.826 -4.396 -6.083) 8.923 5.010 ( -1.085 -1.294 -0.330) 1.720 5.350 ( -1.678 -3.935 2.665) 5.040 7.857 ( -10.638 1.517 -0.256) 10.749 9.256 ( 23.385 17.045 -2.425) 29.040 12.210 ( 10.064 -8.144 3.255) 13.349======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( -24.078 -3.932 1.713) 24.457 2.393 ( -23.324 1.006 1.993) 23.430 3.450 ( -13.428 -1.814 -0.821) 13.575 3.670 ( -7.972 0.278 -0.524) 7.994 3.854 ( -22.752 2.259 -0.698) 22.875 4.173 ( -9.125 -4.390 3.616) 10.752 4.365 ( 1.291 -1.211 -3.722) 4.122 4.961 ( -2.161 -1.380 -0.124) 2.567 5.376 ( 5.941 0.334 0.780) 6.001 7.687 ( -9.153 0.615 -0.117) 9.175 9.848 ( 29.686 8.649 -2.521) 31.023 12.320 ( 8.080 -3.603 3.131) 9.384======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -25.544 0.000 0.000) 25.544 1.972 ( -26.176 0.000 0.000) 26.176 3.055 ( -30.608 0.000 0.000) 30.608 3.543 ( -12.895 0.000 0.000) 12.895 3.546 ( -6.260 0.000 0.000) 6.260 3.974 ( -12.023 0.000 0.000) 12.023 4.310 ( -5.696 0.000 0.000) 5.696 4.924 ( -1.210 0.000 0.000) 1.210 5.536 ( 11.143 -0.000 -0.000) 11.143 7.570 ( -4.579 0.000 0.000) 4.579 10.405 ( 29.669 -0.000 -0.000) 29.669 12.427 ( 5.465 -0.000 -0.000) 5.465======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( -0.000 24.862 7.246) 25.896 1.723 ( 0.000 22.977 10.025) 25.069 2.776 ( -0.000 38.280 3.709) 38.459 3.160 ( -0.000 1.900 -10.007) 10.186 3.626 ( 0.000 4.597 4.798) 6.645 3.816 ( -0.000 12.799 -7.329) 14.749 4.272 ( -0.000 12.070 1.799) 12.203 4.861 ( -0.000 0.573 -5.915) 5.942 5.663 ( 0.000 -11.622 1.715) 11.747 7.526 ( -0.000 1.136 0.107) 1.141 10.504 ( 0.000 -26.173 -1.571) 26.220 12.504 ( -0.000 -0.208 -9.780) 9.782======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( -1.064 23.944 7.184) 25.021 2.072 ( 7.456 22.137 4.321) 23.755 3.182 ( 5.071 22.101 0.682) 22.686 3.236 ( 8.784 10.596 -8.910) 16.396 3.722 ( 3.839 6.174 4.468) 8.533 3.912 ( 0.805 10.193 -8.003) 12.984 4.409 ( 1.112 10.411 4.626) 11.446 4.859 ( 0.428 2.383 -5.893) 6.371 5.533 ( -2.931 -9.560 1.427) 10.101 7.570 ( 2.687 3.711 0.341) 4.594 10.229 ( 0.544 -32.040 3.597) 32.246 12.402 ( -7.714 1.000 -10.661) 13.197======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 3.054 22.082 2.971) 22.489 2.436 ( 8.642 20.457 2.153) 22.311 3.392 ( 8.652 6.638 -5.544) 12.233 3.532 ( 7.186 13.858 -6.149) 16.778 3.898 ( 6.378 6.057 -2.353) 9.105 4.041 ( 5.218 11.857 1.295) 13.019 4.527 ( 0.196 6.439 6.887) 9.430 4.889 ( 1.722 3.207 -4.306) 5.639 5.396 ( -4.346 -5.034 0.222) 6.654 7.703 ( 5.555 8.024 0.988) 9.809 9.887 ( -4.477 -32.309 5.166) 33.024 12.218 ( -9.371 -0.745 -9.435) 13.319======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 7.790 19.302 -0.225) 20.816 2.779 ( 7.398 18.390 1.602) 19.887 3.539 ( 3.046 5.661 -9.133) 11.169 3.750 ( 7.897 8.378 -4.882) 12.505 4.035 ( 6.855 2.859 -2.246) 7.759 4.306 ( 8.009 11.205 3.888) 14.311 4.580 ( -1.724 2.238 8.201) 8.674 4.952 ( 3.339 2.112 -2.116) 4.482 5.298 ( -3.388 -0.115 -1.508) 3.710 7.904 ( 5.392 9.938 1.959) 11.475 9.488 ( -10.086 -22.112 3.382) 24.538 12.018 ( -6.377 -6.513 -6.707) 11.317======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( 11.552 15.720 -1.109) 19.540 3.056 ( 3.915 16.025 1.201) 16.541 3.569 ( 0.754 1.446 -10.940) 11.061 3.926 ( 3.971 8.143 -2.557) 9.414 4.178 ( 4.330 4.300 1.266) 6.232 4.519 ( 5.890 4.986 1.416) 7.846 4.584 ( -1.900 1.524 7.446) 7.834 5.011 ( 1.274 0.905 -0.174) 1.572 5.277 ( 1.993 -0.188 -2.121) 2.917 8.022 ( -0.619 -0.187 2.871) 2.943 9.204 ( -10.716 4.313 0.567) 11.565 11.832 ( -0.735 -14.421 -3.936) 14.966======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.162 ( 12.034 10.097 -0.290) 15.712 3.233 ( -1.076 13.437 0.815) 13.505 3.542 ( 0.374 -1.167 -9.902) 9.978 4.039 ( 0.947 7.636 -1.264) 7.798 4.231 ( -4.952 5.322 3.479) 8.059 4.601 ( 0.745 0.409 4.291) 4.375 4.633 ( 1.801 3.600 -1.166) 4.191 5.010 ( -1.878 1.129 0.311) 2.213 5.334 ( 7.283 -5.553 -0.009) 9.158 7.911 ( -3.636 -10.536 2.094) 11.341 9.200 ( -12.750 30.030 -0.412) 32.628 11.693 ( 6.782 -21.259 -1.776) 22.385======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.278 ( -6.258 7.231 -0.592) 9.581 3.348 ( -1.202 1.528 1.049) 2.209 3.569 ( 8.539 2.384 -5.799) 10.594 4.106 ( -1.302 6.723 -2.013) 7.138 4.162 ( -9.977 6.480 4.640) 12.769 4.580 ( -2.947 -2.300 -2.127) 4.301 4.675 ( -1.546 4.426 -0.139) 4.690 4.998 ( -0.099 0.335 0.864) 0.932 5.388 ( 6.418 -8.876 2.225) 11.177 7.807 ( 3.245 -7.637 0.800) 8.336 9.254 ( -20.048 34.892 -0.378) 40.243 11.650 ( 14.152 -22.293 -0.212) 26.406======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.134 ( -12.541 -2.063 -0.880) 12.740 3.256 ( -10.532 3.534 0.838) 11.141 3.758 ( 9.139 0.897 1.425) 9.293 4.042 ( -10.191 6.976 0.045) 12.350 4.138 ( -2.922 4.765 -1.545) 5.799 4.463 ( -4.815 -3.502 -4.728) 7.603 4.652 ( -5.887 2.804 1.311) 6.651 5.012 ( 0.820 0.018 0.395) 0.910 5.386 ( 2.354 -8.250 2.778) 9.018 7.877 ( 9.181 -2.893 -0.002) 9.626 9.200 ( -19.830 26.255 -0.429) 32.905 11.735 ( 17.248 -15.900 0.797) 23.472======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.836 ( -18.262 -2.569 0.310) 18.444 3.063 ( -15.265 1.908 0.707) 15.400 3.814 ( -6.320 0.924 2.968) 7.044 3.964 ( -7.486 4.537 1.049) 8.816 4.135 ( 5.137 -1.143 -4.347) 6.826 4.351 ( -4.276 0.273 -3.996) 5.859 4.522 ( -11.411 -0.618 2.270) 11.651 5.016 ( -0.501 -0.341 -0.129) 0.620 5.340 ( -0.625 -3.954 1.681) 4.342 7.971 ( 0.677 -0.310 -0.186) 0.767 9.186 ( -0.972 12.505 -0.591) 12.557 11.914 ( 15.715 -7.054 1.040) 17.257======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.473 ( -21.956 0.000 0.000) 21.956 2.772 ( -19.472 0.000 0.000) 19.472 3.657 ( -11.308 0.000 0.000) 11.308 3.825 ( -9.529 0.000 0.000) 9.529 4.227 ( -10.082 0.000 0.000) 10.082 4.275 ( -5.337 0.000 0.000) 5.337 4.284 ( -1.118 0.000 0.000) 1.118 4.989 ( -1.936 0.000 0.000) 1.936 5.321 ( 0.826 -0.000 -0.000) 0.826 7.871 ( -10.263 0.000 0.000) 10.263 9.436 ( 21.091 -0.000 -0.000) 21.091 12.126 ( 12.231 -0.000 -0.000) 12.231======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -0.000 23.515 2.805) 23.682 2.209 ( 0.000 19.960 7.193) 21.216 3.138 ( -0.000 2.096 -9.391) 9.622 3.445 ( -0.000 26.096 -2.829) 26.249 3.746 ( 0.000 4.555 3.823) 5.947 3.974 ( -0.000 8.569 -6.943) 11.029 4.527 ( 0.000 9.939 6.394) 11.818 4.874 ( -0.000 4.770 -5.512) 7.289 5.479 ( 0.000 -6.364 1.051) 6.450 7.580 ( -0.000 4.210 0.096) 4.211 9.896 ( 0.000 -34.830 4.669) 35.141 12.453 ( -0.000 1.007 -9.435) 9.489======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.399 ( -1.614 21.448 2.792) 21.689 2.495 ( 6.376 17.903 2.313) 19.145 3.230 ( 10.430 3.381 -7.852) 13.486 3.618 ( -0.726 13.084 -8.760) 15.762 3.847 ( 4.382 3.970 0.284) 5.920 4.077 ( 3.264 10.398 1.182) 10.963 4.628 ( -0.564 6.495 7.199) 9.712 4.913 ( -0.320 6.092 -3.659) 7.114 5.424 ( -2.402 -0.485 -0.071) 2.451 7.679 ( 5.412 6.781 0.434) 8.687 9.569 ( 1.244 -35.768 5.059) 36.145 12.360 ( -8.214 0.613 -7.964) 11.457======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( 1.270 19.039 -0.725) 19.095 2.804 ( 9.022 14.755 2.392) 17.459 3.457 ( 10.704 4.695 -9.069) 14.795 3.685 ( 3.767 5.681 -8.548) 10.933 3.961 ( 5.092 3.594 1.010) 6.314 4.270 ( 6.237 6.905 4.080) 10.160 4.680 ( -1.700 3.541 6.552) 7.639 4.955 ( -0.293 5.140 -1.900) 5.488 5.387 ( -4.489 4.844 -1.017) 6.682 7.892 ( 7.968 9.333 1.519) 12.366 9.274 ( 2.810 -30.578 3.337) 30.888 12.144 ( -13.153 -1.722 -5.948) 14.538======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.829 ( 5.757 15.927 -1.390) 16.992 3.097 ( 8.140 11.815 2.021) 14.490 3.536 ( 1.137 1.083 -11.366) 11.475 3.876 ( 10.089 7.141 -4.461) 13.141 4.115 ( 6.812 4.637 4.159) 9.230 4.428 ( 6.666 0.385 3.083) 7.354 4.690 ( -2.522 2.980 4.014) 5.599 4.995 ( 0.759 2.711 -0.392) 2.842 5.346 ( -6.201 5.545 -1.354) 8.428 8.042 ( -0.521 0.073 2.945) 2.992 9.179 ( 11.174 -7.900 0.421) 13.691 11.844 ( -14.241 -7.212 -3.866) 16.424======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.087 ( 8.193 10.955 -0.695) 13.697 3.318 ( 5.100 7.823 0.086) 9.339 3.520 ( -0.395 1.837 -6.998) 7.246 4.065 ( 4.472 7.625 -3.838) 9.637 4.271 ( 3.997 1.423 5.644) 7.060 4.562 ( 7.129 1.827 2.878) 7.902 4.682 ( -2.249 3.063 -0.676) 3.860 5.032 ( 1.695 0.100 1.422) 2.215 5.267 ( -5.821 0.745 -1.325) 6.017 7.902 ( -6.840 -10.587 2.235) 12.801 9.485 ( 12.842 20.402 -0.388) 24.110 11.496 ( -10.373 -16.740 -2.120) 19.807======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.282 ( 4.192 2.358 -0.316) 4.820 3.432 ( 5.041 2.875 -2.664) 6.386 3.529 ( -3.191 7.200 -1.448) 8.007 4.167 ( 0.735 6.209 -2.652) 6.791 4.310 ( -0.979 -0.954 5.429) 5.599 4.610 ( -3.324 -0.860 0.216) 3.440 4.755 ( 2.159 10.389 -2.533) 10.909 5.044 ( -2.973 1.317 1.335) 3.515 5.186 ( 3.723 -9.350 0.895) 10.104 7.718 ( -2.224 -8.225 0.951) 8.573 9.873 ( -5.127 35.662 -0.271) 36.029 11.192 ( 4.720 -27.979 -0.764) 28.385======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.256 ( -5.133 -1.712 -0.991) 5.501 3.484 ( -9.090 4.725 0.758) 10.272 3.592 ( 9.927 1.319 -1.267) 10.095 4.199 ( -2.055 3.496 -1.667) 4.384 4.269 ( -5.473 0.990 4.060) 6.886 4.509 ( -5.630 -1.733 -2.825) 6.533 4.807 ( -6.867 6.979 -0.572) 9.808 5.001 ( -0.066 -0.615 -0.193) 0.648 5.226 ( 8.048 -7.036 2.118) 10.897 7.699 ( 6.350 -3.000 0.225) 7.027 9.873 ( -28.052 22.374 -0.263) 35.883 11.214 ( 23.833 -17.275 0.109) 29.436======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.093 ( -12.417 0.000 0.000) 12.417 3.316 ( -12.591 0.000 0.000) 12.591 3.772 ( 9.368 -0.000 -0.000) 9.368 4.141 ( -6.797 0.000 0.000) 6.797 4.157 ( -7.958 0.000 0.000) 7.958 4.405 ( -3.967 0.000 0.000) 3.967 4.698 ( -8.487 0.000 0.000) 8.487 5.013 ( 0.737 -0.000 -0.000) 0.737 5.299 ( 3.454 -0.000 -0.000) 3.454 7.846 ( 10.518 -0.000 -0.000) 10.518 9.495 ( -23.934 0.000 0.000) 23.934 11.549 ( 21.799 -0.000 -0.000) 21.799======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.602 ( -0.000 15.463 4.372) 16.069 2.648 ( -0.000 20.599 -2.754) 20.783 3.124 ( -0.000 1.893 -7.510) 7.745 3.677 ( -0.000 3.707 -13.424) 13.926 3.852 ( 0.000 3.750 2.780) 4.668 4.165 ( 0.000 10.960 3.794) 11.598 4.703 ( 0.000 3.474 5.877) 6.827 4.977 ( -0.000 6.478 -1.404) 6.628 5.475 ( -0.000 6.522 -0.566) 6.547 7.688 ( -0.000 6.181 0.069) 6.182 9.215 ( 0.000 -35.301 5.251) 35.689 12.419 ( -0.000 0.563 -6.548) 6.572======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( -2.654 17.000 -3.344) 17.528 2.810 ( 5.831 12.345 1.813) 13.773 3.250 ( 12.454 3.232 -7.565) 14.926 3.649 ( 0.824 -0.665 -9.368) 9.428 3.927 ( 3.645 3.542 2.129) 5.510 4.289 ( 1.443 7.148 4.155) 8.393 4.739 ( -0.618 1.653 4.198) 4.554 5.021 ( -1.021 4.844 -0.444) 4.971 5.535 ( -3.407 10.641 -0.415) 11.181 7.831 ( 8.423 7.722 0.470) 11.437 8.908 ( 2.405 -32.068 4.031) 32.409 12.324 ( -9.057 -0.108 -4.913) 10.304======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.913 ( 1.475 13.933 -3.766) 14.508 3.053 ( 8.377 8.619 2.755) 12.330 3.437 ( 7.272 -0.280 -11.335) 13.470 3.718 ( 10.616 2.521 -1.638) 11.033 4.065 ( 6.717 4.743 2.335) 8.548 4.368 ( 1.520 1.261 3.375) 3.910 4.744 ( -1.269 0.751 2.226) 2.670 5.039 ( -1.484 3.287 -0.156) 3.610 5.547 ( -7.307 9.683 -0.160) 12.131 8.048 ( 3.478 3.578 2.027) 5.386 8.773 ( 16.243 -18.821 1.011) 24.882 12.078 ( -16.594 -1.840 -3.240) 17.007======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.083 ( 4.592 10.097 -1.618) 11.210 3.258 ( 6.614 3.457 -0.031) 7.463 3.485 ( 4.586 0.212 -5.206) 6.941 3.972 ( 12.232 4.433 -2.454) 13.239 4.248 ( 4.620 5.277 3.669) 7.916 4.422 ( 7.376 -1.920 1.989) 7.877 4.725 ( -1.765 -0.147 0.224) 1.785 5.036 ( -1.466 1.163 0.342) 1.902 5.466 ( -10.847 5.739 -0.243) 12.274 7.950 ( -8.453 -7.967 1.892) 11.769 9.171 ( 33.087 4.177 -0.302) 33.351 11.696 ( -22.380 -5.222 -1.794) 23.051======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.239 ( 4.426 4.113 0.219) 6.047 3.345 ( 4.378 -0.548 -2.783) 5.216 3.588 ( 3.973 3.585 0.020) 5.351 4.173 ( 6.435 5.184 -3.595) 9.011 4.282 ( -0.620 -2.808 4.428) 5.280 4.644 ( 6.558 2.841 4.065) 8.222 4.700 ( 5.810 0.776 -4.207) 7.215 5.015 ( -0.657 -1.816 0.934) 2.145 5.290 ( -13.149 1.261 -0.255) 13.212 7.735 ( -7.299 -5.305 0.692) 9.050 9.860 ( 34.431 13.048 -0.082) 36.820 11.190 ( -26.637 -10.388 -0.730) 28.601======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( -0.069 0.000 0.000) 0.069 3.445 ( 7.583 -0.000 -0.000) 7.583 3.623 ( -3.083 0.000 0.000) 3.083 4.236 ( -1.181 0.000 0.000) 1.181 4.295 ( 2.695 -0.000 -0.000) 2.695 4.598 ( -5.162 0.000 0.000) 5.162 4.963 ( 10.387 -0.000 -0.000) 10.387 4.985 ( -0.285 0.000 0.000) 0.285 5.069 ( -8.999 0.000 0.000) 8.999 7.634 ( -0.973 0.000 0.000) 0.973 10.569 ( -33.513 0.000 0.000) 33.513 10.575 ( 34.640 -0.000 -0.000) 34.640======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.876 ( -0.000 9.918 1.787) 10.078 2.971 ( -0.000 14.807 -8.852) 17.251 3.117 ( -0.000 1.194 -4.406) 4.565 3.593 ( -0.000 -3.185 -5.169) 6.071 3.928 ( 0.000 2.404 1.682) 2.934 4.359 ( 0.000 5.441 3.437) 6.436 4.769 ( 0.000 1.169 2.600) 2.851 5.070 ( -0.000 3.374 -0.203) 3.380 5.685 ( -0.000 11.960 0.255) 11.963 7.810 ( -0.000 5.506 0.036) 5.506 8.605 ( 0.000 -27.136 3.759) 27.395 12.391 ( -0.000 -0.004 -3.668) 3.668======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.992 ( 2.003 7.676 -4.446) 9.094 3.044 ( 1.854 8.450 1.458) 8.773 3.240 ( 9.835 0.540 -8.779) 13.194 3.589 ( 4.572 -1.230 0.410) 4.752 3.996 ( 4.932 2.065 1.197) 5.479 4.401 ( -0.935 2.367 2.434) 3.522 4.777 ( -0.965 0.745 1.292) 1.777 5.089 ( -0.985 2.257 -0.187) 2.470 5.753 ( -4.757 9.074 0.459) 10.256 7.976 ( 11.038 6.253 0.391) 12.693 8.389 ( 3.149 -20.749 2.066) 21.088 12.295 ( -9.771 -0.328 -2.307) 10.045======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.091 ( 3.570 5.547 -3.025) 7.258 3.195 ( 4.987 3.980 3.299) 7.183 3.341 ( 7.621 -2.723 -5.774) 9.941 3.760 ( 13.507 1.398 0.288) 13.582 4.150 ( 10.060 2.175 0.817) 10.325 4.389 ( -2.283 -0.165 1.359) 2.662 4.758 ( -1.943 0.098 0.341) 1.975 5.081 ( -1.844 1.025 -0.034) 2.110 5.699 ( -9.268 4.362 0.216) 10.245 8.039 ( -7.386 -3.191 1.112) 8.122 8.579 ( 32.611 -2.587 -0.099) 32.714 12.036 ( -18.774 -0.805 -1.031) 18.820======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.191 ( 4.535 -0.000 -0.000) 4.535 3.271 ( 2.863 -0.000 -0.000) 2.863 3.479 ( 9.264 -0.000 -0.000) 9.264 4.011 ( 13.014 -0.000 -0.000) 13.014 4.332 ( -3.659 0.000 0.000) 3.659 4.395 ( 15.975 -0.000 -0.000) 15.975 4.719 ( -2.539 0.000 0.000) 2.539 5.047 ( -2.450 0.000 0.000) 2.450 5.529 ( -12.578 0.000 0.000) 12.578 7.860 ( -9.664 0.000 0.000) 9.664 9.228 ( 40.456 -0.000 -0.000) 40.456 11.635 ( -26.303 0.000 0.000) 26.303======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.018 ( -0.000 3.619 -0.006) 3.619 3.113 ( -0.000 4.791 -6.662) 8.206 3.114 ( -0.000 0.212 -0.999) 1.021 3.540 ( 0.000 -1.022 1.374) 1.713 3.967 ( 0.000 0.818 0.561) 0.992 4.436 ( 0.000 1.246 1.219) 1.743 4.796 ( 0.000 0.530 0.565) 0.775 5.114 ( -0.000 1.155 -0.145) 1.164 5.871 ( -0.000 5.163 0.394) 5.178 7.890 ( -0.000 2.196 0.010) 2.196 8.234 ( 0.000 -10.433 1.347) 10.520 12.374 ( -0.000 -0.091 -1.172) 1.176======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.056 ( 2.332 -0.000 -0.000) 2.332 3.161 ( 4.376 -0.000 -0.000) 4.376 3.177 ( 5.787 -0.000 -0.000) 5.787 3.588 ( 6.355 -0.000 -0.000) 6.355 4.021 ( 5.552 -0.000 -0.000) 5.552 4.430 ( -1.582 0.000 0.000) 1.582 4.789 ( -1.230 0.000 0.000) 1.230 5.111 ( -1.006 0.000 0.000) 1.006 5.851 ( -5.247 0.000 0.000) 5.247 8.082 ( 20.338 -0.000 -0.000) 20.338 8.141 ( -4.869 0.000 0.000) 4.869 12.284 ( -10.050 0.000 0.000) 10.050======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.256 ( 0.000 -0.000 26.615) 26.615 0.256 ( 0.000 -0.000 26.615) 26.615 0.451 ( 0.000 -0.000 47.040) 47.040 3.209 ( -0.000 0.000 -7.854) 7.854 3.209 ( -0.000 0.000 -7.854) 7.854 3.393 ( 0.000 -0.000 6.094) 6.094 3.393 ( 0.000 -0.000 6.094) 6.094 5.939 ( -0.000 0.000 -24.622) 24.622 6.435 ( 0.000 -0.000 19.308) 19.308 7.568 ( 0.000 -0.000 0.192) 0.192 7.568 ( 0.000 -0.000 0.192) 0.192 13.314 ( 0.000 -0.000 0.108) 0.108======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( 18.107 10.454 9.527) 22.976 0.577 ( 13.631 7.870 19.076) 24.731 1.184 ( 37.050 21.391 22.277) 48.234 3.225 ( 2.488 1.437 -7.690) 8.209 3.298 ( 7.246 4.183 -6.742) 10.745 3.415 ( 0.745 0.430 6.234) 6.293 3.808 ( 13.276 7.665 -11.036) 18.889 5.047 ( -13.396 -7.734 12.587) 19.942 6.057 ( -5.842 -3.373 3.251) 7.488 7.555 ( -1.073 -0.619 0.282) 1.270 10.648 ( 60.980 35.207 -94.439) 117.800 12.775 ( -26.091 -15.064 19.646) 35.967======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 17.889 10.328 6.764) 21.736 1.015 ( 21.016 12.134 3.429) 24.508 2.097 ( 36.256 20.933 13.856) 44.098 3.273 ( 3.644 2.104 -7.345) 8.465 3.465 ( 1.805 1.042 6.141) 6.485 3.502 ( 11.940 6.894 -7.433) 15.664 4.057 ( 11.143 6.433 -2.631) 13.133 4.909 ( -2.634 -1.521 -1.675) 3.473 5.890 ( -9.211 -5.318 2.008) 10.824 7.530 ( -0.899 -0.519 0.291) 1.079 11.111 ( 2.328 1.344 -15.543) 15.774 12.355 ( -10.477 -6.049 -10.425) 15.970======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 20.149 11.633 -0.999) 23.287 1.509 ( 20.870 12.049 1.177) 24.127 2.918 ( 31.483 18.177 7.947) 37.212 3.342 ( 4.148 2.395 -6.683) 8.222 3.534 ( 2.530 1.461 5.764) 6.462 3.777 ( 13.308 7.683 -7.469) 17.085 4.304 ( 10.097 5.830 1.339) 11.736 4.885 ( 1.400 0.808 -4.349) 4.639 5.658 ( -10.923 -6.306 1.502) 12.701 7.529 ( 0.938 0.542 0.223) 1.106 10.787 ( -26.757 -15.448 11.607) 33.005 12.245 ( 3.570 2.061 -22.191) 22.571======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 21.809 12.592 -5.347) 25.744 1.971 ( 18.668 10.778 -0.116) 21.556 3.416 ( 3.867 2.232 -5.636) 7.190 3.575 ( 23.544 13.593 1.291) 27.216 3.615 ( 2.894 1.671 5.102) 6.099 4.043 ( 11.235 6.487 -5.339) 14.029 4.514 ( 6.919 3.995 4.468) 9.154 4.951 ( 5.101 2.945 -2.839) 6.539 5.422 ( -8.822 -5.093 0.102) 10.187 7.581 ( 3.572 2.062 0.129) 4.127 10.085 ( -35.239 -20.345 10.473) 42.016 12.289 ( 4.366 2.521 -14.695) 15.536======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( 14.693 8.483 -0.844) 16.987 2.407 ( 22.974 13.264 -7.049) 27.449 3.480 ( 2.943 1.699 -4.471) 5.616 3.696 ( 2.707 1.563 4.289) 5.307 3.966 ( 10.420 6.016 -9.544) 15.358 4.280 ( 10.581 6.109 3.397) 12.681 4.635 ( 1.527 0.881 7.352) 7.560 5.029 ( -0.074 -0.042 -0.139) 0.163 5.342 ( 4.357 2.515 -2.722) 5.720 7.687 ( 5.322 3.073 0.066) 6.146 9.292 ( -34.656 -20.008 6.664) 40.568 12.334 ( 2.586 1.493 -8.014) 8.552======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( 9.571 5.526 -0.787) 11.079 2.915 ( 22.681 13.095 -7.106) 27.137 3.520 ( 1.707 0.985 -3.750) 4.236 3.762 ( 1.830 1.057 3.575) 4.153 4.022 ( -1.413 -0.816 -10.532) 10.658 4.529 ( 8.004 4.621 5.181) 10.595 4.634 ( -2.546 -1.470 8.238) 8.747 5.002 ( -0.637 -0.368 -1.730) 1.880 5.520 ( 8.808 5.085 -1.226) 10.244 7.809 ( 4.793 2.767 0.035) 5.534 8.585 ( -26.722 -15.428 3.825) 31.092 12.360 ( 1.384 0.799 -3.834) 4.154======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.789 ( 3.718 2.147 0.222) 4.299 3.380 ( 18.084 10.441 -5.382) 21.564 3.534 ( 0.571 0.330 -3.921) 3.976 3.799 ( 0.406 0.235 3.152) 3.187 3.874 ( -7.991 -4.613 -6.303) 11.174 4.564 ( -2.431 -1.403 4.844) 5.599 4.689 ( 1.794 1.036 1.891) 2.805 4.996 ( 0.516 0.298 -0.447) 0.745 5.675 ( 3.955 2.283 0.822) 4.640 7.890 ( 1.917 1.107 0.010) 2.213 8.147 ( -10.841 -6.259 1.865) 12.656 12.378 ( 0.929 0.536 -1.176) 1.592======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.804 ( -2.718 -1.569 1.817) 3.626 3.451 ( -14.142 -8.165 2.256) 16.484 3.524 ( -0.159 -0.092 -4.888) 4.892 3.799 ( -1.251 -0.722 3.105) 3.424 3.877 ( 12.967 7.486 -7.448) 16.723 4.528 ( -1.793 -1.035 1.909) 2.816 4.639 ( -5.526 -3.190 -2.627) 6.900 5.019 ( 0.854 0.493 1.781) 2.036 5.693 ( -2.860 -1.651 2.517) 4.152 7.890 ( -1.933 -1.116 -0.009) 2.232 8.129 ( 9.012 5.203 0.158) 10.407 12.398 ( 0.923 0.533 0.828) 1.349======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.674 ( -9.219 -5.323 3.156) 11.103 3.035 ( -21.018 -12.135 5.008) 24.781 3.497 ( -0.673 -0.388 -5.949) 6.000 3.762 ( -2.794 -1.613 3.416) 4.699 4.140 ( 8.749 5.051 -2.643) 10.442 4.431 ( -8.641 -4.989 -4.731) 11.043 4.498 ( -3.009 -1.738 -1.293) 3.708 5.032 ( -0.149 -0.086 1.434) 1.444 5.571 ( -7.896 -4.559 3.486) 9.761 7.809 ( -4.808 -2.776 -0.014) 5.551 8.528 ( 24.493 14.141 -1.827) 28.341 12.427 ( 1.055 0.609 2.744) 3.002======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.404 ( -14.973 -8.645 3.967) 17.739 2.547 ( -22.575 -13.033 6.877) 26.959 3.455 ( -1.222 -0.705 -6.683) 6.830 3.695 ( -3.922 -2.265 3.973) 6.025 4.023 ( -17.006 -9.818 -2.808) 19.836 4.349 ( -3.478 -2.008 9.560) 10.369 4.427 ( 0.714 0.412 -13.509) 13.534 5.027 ( -0.741 -0.428 -0.513) 0.997 5.409 ( -5.146 -2.971 3.614) 6.954 7.686 ( -5.357 -3.093 -0.025) 6.186 9.184 ( 31.883 18.408 -4.033) 37.035 12.463 ( 1.042 0.602 4.768) 4.917======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( -19.281 -11.132 4.782) 22.772 2.044 ( -23.024 -13.293 7.678) 27.672 3.400 ( -1.662 -0.960 -7.194) 7.446 3.504 ( -26.639 -15.380 -3.926) 31.010 3.611 ( -4.435 -2.561 4.595) 6.880 4.168 ( -11.495 -6.637 3.188) 13.651 4.406 ( -2.814 -1.625 -3.912) 5.086 4.974 ( -3.002 -1.733 -0.825) 3.563 5.435 ( 6.360 3.672 1.415) 7.479 7.579 ( -3.637 -2.100 -0.062) 4.200 9.920 ( 32.313 18.656 -6.119) 37.810 12.503 ( 0.771 0.445 6.599) 6.658======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -23.172 -13.378 7.900) 27.898 1.560 ( -21.718 -12.539 6.204) 25.833 2.781 ( -34.424 -19.875 -4.606) 40.016 3.336 ( -1.762 -1.017 -7.584) 7.852 3.525 ( -4.257 -2.458 5.120) 7.097 3.882 ( -13.394 -7.733 1.657) 15.555 4.268 ( -7.736 -4.466 -1.591) 9.073 4.922 ( -1.142 -0.659 -0.529) 1.420 5.644 ( 10.340 5.970 0.123) 11.941 7.525 ( -0.997 -0.576 -0.088) 1.155 10.598 ( 27.732 16.011 -7.839) 32.967 12.538 ( 0.379 0.219 7.119) 7.132======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( -22.660 -13.083 9.074) 27.694 1.071 ( -22.456 -12.965 8.759) 27.369 1.910 ( -39.447 -22.775 -3.428) 45.678 3.274 ( -1.357 -0.783 -7.827) 7.983 3.453 ( -3.427 -1.979 5.510) 6.783 3.585 ( -12.194 -7.040 0.681) 14.097 4.070 ( -8.314 -4.800 -2.184) 9.845 4.911 ( 0.183 0.106 -0.078) 0.225 5.875 ( 9.066 5.234 0.202) 10.470 7.527 ( 0.886 0.512 -0.049) 1.024 11.117 ( 19.099 11.027 -14.046) 26.147 12.565 ( 0.278 0.160 6.453) 6.461======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( 0.000 22.898 14.360) 27.029 0.754 ( 0.000 21.618 18.748) 28.615 1.138 ( 0.000 34.626 25.503) 43.004 3.143 ( -0.000 0.154 -9.552) 9.553 3.316 ( -0.000 10.055 -5.765) 11.590 3.463 ( 0.000 2.346 5.835) 6.289 3.758 ( -0.000 16.102 -10.115) 19.015 5.079 ( 0.000 -19.011 8.823) 20.958 6.069 ( 0.000 -7.882 5.086) 9.381 7.554 ( 0.000 -1.316 0.235) 1.336 10.285 ( -0.000 76.629 -86.762) 115.756 12.890 ( 0.000 -24.762 13.699) 28.299======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 1.975 18.747 18.387) 26.333 1.051 ( 5.398 27.061 6.027) 28.245 1.843 ( 26.057 30.759 15.779) 43.290 3.172 ( 5.570 0.568 -9.410) 10.950 3.436 ( 3.158 11.295 -5.333) 12.884 3.507 ( 0.281 4.545 4.385) 6.321 3.957 ( 7.877 11.122 -4.243) 14.274 4.924 ( -2.896 -5.690 -1.977) 6.683 5.952 ( -4.960 -8.815 3.026) 10.557 7.537 ( -0.470 -1.077 0.313) 1.216 10.837 ( 20.290 16.399 -36.941) 45.225 12.534 ( -16.895 -12.440 0.255) 20.983======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( 9.963 17.663 9.387) 22.347 1.462 ( 9.801 25.355 2.091) 27.264 2.633 ( 27.571 24.202 8.915) 37.754 3.266 ( 6.183 2.928 -8.725) 11.087 3.556 ( 1.167 5.214 5.690) 7.805 3.652 ( 7.941 10.654 -6.855) 14.952 4.201 ( 9.335 8.512 -0.083) 12.633 4.856 ( 0.190 -0.825 -5.675) 5.738 5.753 ( -8.077 -9.362 2.054) 12.534 7.531 ( 0.170 0.785 0.372) 0.885 10.941 ( -4.199 -15.434 2.778) 16.235 12.207 ( -7.513 1.119 -19.283) 20.725======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 14.804 16.608 1.501) 22.299 1.893 ( 11.377 22.706 0.430) 25.401 3.274 ( 18.644 10.902 1.059) 21.624 3.397 ( 8.792 9.278 -7.612) 14.876 3.661 ( 1.488 8.632 6.473) 10.891 3.896 ( 11.159 7.836 -5.082) 14.552 4.433 ( 8.352 5.495 2.549) 10.318 4.881 ( 4.101 1.862 -4.722) 6.525 5.516 ( -8.957 -8.307 1.066) 12.263 7.572 ( 1.819 4.066 0.389) 4.471 10.461 ( -26.992 -23.795 11.424) 37.753 12.161 ( 4.441 2.016 -18.622) 19.250======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( 18.003 15.533 -2.395) 23.898 2.295 ( 10.437 19.517 -1.055) 22.157 3.441 ( 3.499 4.230 -6.433) 8.457 3.669 ( 6.633 3.838 0.677) 7.693 3.870 ( 7.111 13.375 -4.530) 15.810 4.159 ( 11.690 6.780 2.861) 13.814 4.601 ( 5.297 1.616 4.672) 7.245 4.989 ( 5.417 1.853 -1.489) 5.916 5.325 ( -3.753 -3.700 -1.070) 5.378 7.677 ( 3.141 7.750 0.416) 8.372 9.718 ( -34.138 -21.515 7.828) 41.105 12.212 ( 6.250 -2.519 -10.714) 12.657======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( 10.284 13.972 0.370) 17.353 2.669 ( 17.050 15.905 -5.995) 24.075 3.504 ( 1.703 3.729 -6.480) 7.668 3.777 ( 1.699 4.144 3.112) 5.454 4.007 ( 0.726 5.163 -10.061) 11.332 4.440 ( 10.155 6.139 5.938) 13.269 4.664 ( 0.193 -2.214 6.475) 6.846 5.009 ( -1.433 -1.013 -0.948) 1.995 5.387 ( 9.584 2.493 -1.375) 9.998 7.824 ( 2.658 10.327 0.492) 10.675 8.961 ( -32.404 -15.728 4.435) 36.291 12.251 ( 6.022 -5.776 -5.371) 9.923======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( 2.370 10.864 0.685) 11.141 3.129 ( 20.057 11.969 -6.018) 24.120 3.533 ( 0.453 2.637 -6.934) 7.432 3.839 ( -0.725 4.307 3.807) 5.794 3.956 ( -6.425 0.894 -7.252) 9.730 4.604 ( -0.343 -0.305 4.253) 4.277 4.659 ( 2.726 0.031 4.688) 5.423 4.987 ( 0.166 0.006 -1.134) 1.146 5.575 ( 8.839 0.248 0.846) 8.883 7.960 ( 0.578 10.310 0.665) 10.347 8.368 ( -23.201 -6.053 2.098) 24.069 12.275 ( 5.993 -7.475 -2.212) 9.833======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( -3.211 6.766 1.512) 7.640 3.437 ( 2.448 -2.947 -2.215) 4.425 3.597 ( 9.141 8.896 -8.811) 15.503 3.776 ( -9.430 0.208 -0.974) 9.482 3.878 ( -1.729 5.239 -0.098) 5.518 4.566 ( -2.631 -1.087 3.051) 4.173 4.673 ( -2.156 -2.543 -0.768) 3.421 5.008 ( 1.487 0.408 1.412) 2.091 5.671 ( 3.140 -3.685 2.540) 5.468 8.049 ( 1.126 -4.256 1.384) 4.615 8.091 ( -10.787 18.231 -0.130) 21.183 12.299 ( 6.245 -7.950 -0.203) 10.112======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( -9.361 2.458 2.619) 10.026 3.235 ( -13.623 -11.428 0.686) 17.795 3.593 ( -8.673 7.511 -3.789) 12.083 3.815 ( -0.271 1.025 3.217) 3.387 3.989 ( 10.838 7.547 -8.505) 15.708 4.494 ( -5.071 -3.669 -3.161) 7.012 4.562 ( -5.731 -2.450 2.427) 6.689 5.033 ( 0.469 -0.313 1.714) 1.804 5.624 ( -3.250 -6.781 3.373) 8.241 7.950 ( -8.597 3.433 0.171) 9.258 8.328 ( 13.344 16.988 -0.410) 21.606 12.333 ( 6.477 -7.511 1.326) 10.006======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( -15.667 -2.844 3.536) 16.311 2.832 ( -19.965 -9.488 3.951) 22.455 3.520 ( -6.298 5.707 -5.585) 10.170 3.780 ( -5.035 0.698 4.054) 6.502 4.167 ( -1.865 0.492 -7.293) 7.543 4.315 ( -1.353 -2.660 -4.934) 5.767 4.458 ( -5.863 -3.054 3.724) 7.588 5.029 ( -0.488 -0.806 0.332) 0.999 5.474 ( -5.947 -6.698 3.363) 9.568 7.816 ( -9.875 2.149 0.076) 10.106 8.857 ( 25.646 19.640 -1.922) 32.360 12.381 ( 6.382 -6.507 2.580) 9.473======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( -20.762 -9.984 4.858) 23.544 2.414 ( -22.679 -3.442 4.751) 23.426 3.442 ( -5.933 2.581 -5.855) 8.726 3.685 ( -7.263 -2.380 1.846) 7.863 3.848 ( -21.756 -3.569 -1.613) 22.106 4.285 ( -7.978 -5.170 -4.659) 10.587 4.389 ( 2.045 -1.210 2.551) 3.486 4.995 ( -2.011 -1.931 -1.531) 3.181 5.386 ( 1.301 -1.147 2.435) 2.990 7.670 ( -8.064 0.685 0.051) 8.094 9.541 ( 30.709 18.730 -3.206) 36.113 12.438 ( 5.757 -5.284 3.200) 8.444======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( -22.964 -11.883 5.901) 26.521 1.989 ( -25.574 -1.580 4.785) 26.065 3.175 ( -27.281 -11.382 -1.729) 29.610 3.417 ( -9.852 4.613 -9.023) 14.134 3.617 ( -7.323 -0.999 6.214) 9.656 4.040 ( -11.961 -5.868 -1.934) 13.463 4.344 ( -5.188 -2.892 0.434) 5.955 4.934 ( -1.728 -1.182 -1.672) 2.679 5.509 ( 9.811 2.633 0.825) 10.191 7.566 ( -4.345 0.214 0.039) 4.350 10.231 ( 29.965 14.850 -3.722) 33.649 12.490 ( 4.568 -4.212 2.102) 6.560======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( -23.454 -10.796 7.313) 26.835 1.526 ( -27.371 -2.219 4.102) 27.766 2.464 ( -40.207 -7.671 0.895) 40.942 3.318 ( -5.027 3.814 -8.516) 10.599 3.512 ( -4.912 -2.953 6.277) 8.500 3.761 ( -13.473 -3.727 -2.075) 14.133 4.186 ( -9.201 -2.091 -0.663) 9.459 4.907 ( -0.165 -0.080 -1.673) 1.683 5.731 ( 11.644 2.255 0.590) 11.875 7.526 ( -0.747 0.253 0.074) 0.792 10.819 ( 24.255 9.969 -5.018) 26.700 12.517 ( 3.207 -4.166 -1.842) 5.571======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 0.000 22.836 11.649) 25.636 1.303 ( 0.000 22.447 14.055) 26.484 2.010 ( 0.000 39.075 12.797) 41.118 3.095 ( -0.000 1.273 -10.180) 10.259 3.524 ( -0.000 13.721 -6.586) 15.220 3.558 ( 0.000 3.661 4.946) 6.154 4.008 ( -0.000 14.031 -2.514) 14.254 4.877 ( -0.000 -4.884 -5.446) 7.315 5.903 ( 0.000 -11.149 3.025) 11.552 7.528 ( 0.000 -1.092 0.230) 1.116 10.707 ( -0.000 10.188 -24.484) 26.519 12.555 ( -0.000 -11.372 -5.107) 12.466======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -0.513 21.748 11.985) 24.837 1.619 ( 4.749 24.934 6.630) 26.234 2.565 ( 14.692 32.920 7.630) 36.848 3.140 ( 6.625 2.197 -9.587) 11.859 3.621 ( 0.849 6.051 4.499) 7.588 3.657 ( 2.454 11.880 -6.841) 13.926 4.184 ( 4.364 12.531 0.522) 13.280 4.822 ( 0.113 -1.102 -7.522) 7.604 5.759 ( -4.034 -11.586 2.319) 12.485 7.530 ( 0.806 0.515 0.352) 1.019 10.736 ( 6.199 -13.809 -3.119) 15.455 12.342 ( -10.725 -1.618 -14.260) 17.917======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 4.336 20.991 6.320) 22.347 1.990 ( 7.220 24.755 3.338) 26.002 3.128 ( 15.076 20.579 0.962) 25.529 3.290 ( 9.639 5.456 -9.265) 14.440 3.740 ( 2.833 8.770 4.734) 10.361 3.817 ( 5.901 10.254 -4.324) 12.596 4.386 ( 5.369 8.965 2.715) 10.796 4.823 ( 2.412 1.650 -6.496) 7.123 5.562 ( -6.439 -10.194 1.362) 12.134 7.581 ( 2.466 4.240 0.644) 4.947 10.530 ( -7.273 -28.567 8.638) 30.718 12.145 ( -6.402 3.841 -17.605) 19.123======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( 9.716 19.478 0.922) 21.786 2.367 ( 7.288 22.924 2.025) 24.140 3.393 ( 5.193 5.996 -6.944) 10.542 3.559 ( 11.421 9.296 -6.060) 15.924 3.907 ( 4.382 9.720 -2.047) 10.857 4.065 ( 9.611 11.585 5.328) 15.968 4.549 ( 4.360 3.945 4.279) 7.272 4.899 ( 5.615 2.498 -3.595) 7.120 5.364 ( -6.104 -6.507 -0.148) 8.923 7.707 ( 3.957 9.009 1.008) 9.891 10.009 ( -21.863 -26.905 7.794) 35.533 12.072 ( 0.954 -1.335 -12.298) 12.407======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( 14.188 17.554 -1.615) 22.628 2.695 ( 5.084 19.913 0.952) 20.574 3.480 ( 2.651 3.851 -8.968) 10.113 3.768 ( 5.787 6.570 -2.521) 9.112 4.047 ( 1.720 8.448 -4.364) 9.663 4.360 ( 9.065 9.189 5.883) 14.185 4.635 ( 2.200 -1.229 5.410) 5.969 4.999 ( 2.741 0.145 -0.706) 2.834 5.275 ( 2.511 -0.627 -1.719) 3.107 7.887 ( 3.646 11.481 1.498) 12.139 9.360 ( -28.056 -16.622 4.043) 32.860 12.047 ( 5.002 -8.397 -6.646) 11.820======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.891 ( 10.860 15.730 0.766) 19.130 2.949 ( 6.974 15.041 -2.851) 16.823 3.511 ( 1.356 1.343 -9.205) 9.401 3.892 ( 1.909 6.417 -0.803) 6.743 4.091 ( -4.999 7.803 -2.396) 9.572 4.573 ( 5.780 3.688 3.058) 7.507 4.645 ( 0.058 -2.858 5.274) 5.999 4.993 ( -1.213 0.262 -0.944) 1.560 5.401 ( 10.132 -1.096 0.398) 10.199 8.023 ( 0.564 3.995 2.212) 4.601 8.815 ( -25.763 4.010 0.874) 26.088 12.032 ( 7.722 -13.389 -3.069) 15.758======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.053 ( -3.719 12.699 1.849) 13.361 3.299 ( 13.642 7.129 -2.453) 15.586 3.502 ( 1.901 0.390 -10.202) 10.385 3.961 ( -1.257 6.595 -2.381) 7.124 4.022 ( -10.824 7.512 2.613) 13.432 4.607 ( -2.175 -1.063 1.571) 2.886 4.660 ( 1.059 -1.470 0.740) 1.958 4.993 ( 0.812 0.561 0.856) 1.306 5.538 ( 7.723 -4.965 2.482) 9.511 7.983 ( -0.671 -8.133 1.981) 8.397 8.602 ( -19.165 27.304 -0.417) 33.361 12.033 ( 10.036 -15.641 -0.983) 18.610======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.053 ( -9.055 7.842 1.801) 12.114 3.309 ( -6.642 -6.530 -2.228) 9.577 3.692 ( 13.514 5.487 -6.350) 15.908 3.874 ( -12.810 8.607 -1.205) 15.480 4.006 ( -2.843 6.965 0.844) 7.570 4.526 ( -4.273 -3.648 -3.481) 6.610 4.632 ( -2.988 -0.595 2.595) 4.002 5.020 ( 1.160 -0.277 1.612) 2.005 5.569 ( 2.190 -8.041 3.373) 8.991 7.958 ( 5.003 -4.825 0.989) 7.021 8.601 ( -14.439 30.298 -0.457) 33.566 12.065 ( 11.579 -15.055 0.289) 18.994======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.893 ( -15.284 -0.054 1.879) 15.399 3.060 ( -13.872 -4.345 0.439) 14.543 3.742 ( -11.405 7.865 -1.569) 13.943 3.875 ( 0.435 3.081 1.631) 3.513 4.062 ( 5.750 5.312 -8.416) 11.494 4.376 ( -6.719 -4.071 -3.980) 8.807 4.558 ( -6.310 -1.298 4.994) 8.151 5.028 ( -0.056 -0.878 0.629) 1.082 5.485 ( -2.697 -8.528 3.012) 9.438 7.980 ( -2.798 -0.120 0.584) 2.861 8.773 ( 4.801 24.972 -0.891) 25.445 12.134 ( 11.813 -12.297 0.978) 17.080======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( -20.498 -6.183 2.551) 21.561 2.766 ( -18.662 -0.029 1.765) 18.745 3.615 ( -10.391 5.022 -2.439) 11.795 3.812 ( -8.013 0.278 0.865) 8.064 4.137 ( -9.314 3.437 -7.767) 12.605 4.244 ( 1.817 -1.225 -6.020) 6.406 4.424 ( -6.526 -4.824 9.633) 12.596 5.003 ( -1.517 -1.375 -0.991) 2.275 5.372 ( -1.815 -4.698 1.972) 5.409 7.858 ( -10.704 1.435 0.458) 10.809 9.239 ( 22.756 17.409 -1.067) 28.671 12.229 ( 10.682 -8.562 0.724) 13.709======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( -23.509 -5.820 2.952) 24.398 2.409 ( -22.876 -0.618 1.422) 22.928 3.442 ( -13.271 -0.496 -0.881) 13.309 3.641 ( -11.136 1.327 -4.945) 12.256 3.869 ( -19.596 1.915 3.230) 19.952 4.148 ( -7.301 -3.364 -7.572) 11.044 4.384 ( -0.787 -1.713 6.426) 6.697 4.951 ( -2.163 -0.770 -1.866) 2.959 5.384 ( 5.692 -0.437 0.850) 5.771 7.689 ( -9.218 0.594 0.372) 9.244 9.836 ( 29.250 10.038 0.049) 30.925 12.328 ( 8.334 -4.972 -1.494) 9.819======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( -24.911 -2.897 3.110) 25.271 1.970 ( -26.109 -2.659 -0.260) 26.245 3.069 ( -29.943 1.468 2.801) 30.109 3.464 ( -9.705 4.886 -8.740) 13.945 3.619 ( -9.536 -3.619 7.355) 12.575 3.945 ( -11.356 -0.339 -5.680) 12.702 4.325 ( -6.742 0.553 2.862) 7.345 4.912 ( -1.315 0.405 -2.540) 2.889 5.539 ( 11.234 -0.223 0.732) 11.260 7.571 ( -4.622 0.007 0.307) 4.633 10.419 ( 29.474 2.976 2.906) 29.766 12.393 ( 4.705 -2.738 -7.179) 9.010======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( -0.000 22.743 6.964) 23.785 1.819 ( 0.000 21.367 9.944) 23.567 2.820 ( -0.000 35.166 4.678) 35.476 3.064 ( -0.000 2.079 -9.785) 10.003 3.668 ( 0.000 4.398 3.942) 5.906 3.743 ( -0.000 12.101 -7.287) 14.126 4.293 ( -0.000 14.175 2.532) 14.399 4.792 ( -0.000 0.940 -8.455) 8.507 5.681 ( 0.000 -11.974 2.081) 12.153 7.527 ( -0.000 1.096 0.187) 1.112 10.507 ( 0.000 -21.408 2.339) 21.535 12.383 ( -0.000 0.375 -15.184) 15.189======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( -1.376 21.888 5.478) 22.605 2.118 ( 5.980 21.053 5.434) 22.550 3.137 ( 8.524 3.315 -8.642) 12.583 3.195 ( 4.819 26.205 -1.772) 26.703 3.755 ( 3.290 5.215 2.192) 6.544 3.856 ( 2.433 11.518 -2.790) 12.098 4.452 ( 1.181 12.300 4.300) 13.083 4.796 ( 0.903 3.444 -7.318) 8.138 5.546 ( -3.136 -10.070 1.218) 10.617 7.573 ( 2.920 3.727 0.394) 4.751 10.281 ( 1.321 -31.594 7.283) 32.449 12.278 ( -7.954 3.753 -15.008) 17.395======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( 2.016 20.548 1.469) 20.699 2.465 ( 8.095 20.082 3.916) 22.003 3.326 ( 8.903 5.486 -7.946) 13.134 3.465 ( 6.811 13.287 -7.911) 16.897 3.880 ( 4.956 4.996 -0.638) 7.066 4.075 ( 7.327 13.213 4.836) 15.864 4.586 ( 0.316 8.037 5.449) 9.715 4.845 ( 2.497 4.296 -4.843) 6.939 5.395 ( -4.748 -5.780 -0.249) 7.484 7.712 ( 5.879 8.226 1.001) 10.160 9.946 ( -4.645 -33.910 7.153) 34.966 12.116 ( -8.877 2.285 -11.680) 14.848======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.473 ( 7.293 18.799 -0.814) 20.180 2.802 ( 6.846 18.340 3.287) 19.851 3.442 ( 2.737 4.284 -10.723) 11.867 3.699 ( 9.354 8.703 -5.644) 13.968 4.032 ( 6.501 5.264 1.080) 8.434 4.342 ( 7.475 9.677 3.692) 12.773 4.649 ( -1.475 2.882 6.184) 6.980 4.932 ( 4.355 2.795 -2.037) 5.562 5.282 ( -3.845 -0.512 -1.742) 4.252 7.923 ( 5.702 10.489 1.946) 12.096 9.523 ( -10.940 -23.981 3.867) 26.640 11.950 ( -5.444 -4.528 -7.231) 10.120======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.809 ( 11.374 15.952 -1.560) 19.654 3.075 ( 3.338 16.140 2.764) 16.711 3.467 ( 1.176 1.323 -10.241) 10.393 3.896 ( 5.254 7.966 -3.624) 10.208 4.194 ( 3.344 7.157 2.038) 8.158 4.529 ( 5.270 4.064 0.709) 6.693 4.647 ( -1.813 -0.100 5.645) 5.930 5.010 ( 1.389 1.591 -0.018) 2.112 5.260 ( 2.721 -0.196 -1.328) 3.034 8.050 ( -0.641 0.115 2.897) 2.969 9.209 ( -11.321 3.145 0.401) 11.756 11.795 ( 0.122 -13.397 -3.718) 13.904======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.150 ( 12.137 10.517 -2.002) 16.184 3.251 ( -1.198 14.000 2.824) 14.332 3.451 ( 0.257 -0.428 -8.877) 8.891 4.021 ( 1.643 7.339 -2.499) 7.924 4.265 ( -5.183 7.750 3.624) 10.003 4.614 ( 0.735 0.988 -2.635) 2.908 4.639 ( 0.606 -0.225 3.377) 3.439 5.014 ( -1.910 1.771 0.554) 2.663 5.341 ( 8.491 -5.565 1.568) 10.273 7.932 ( -4.060 -11.121 2.189) 12.040 9.195 ( -12.765 30.044 -0.625) 32.649 11.677 ( 7.414 -20.746 -1.521) 22.084======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.272 ( -4.839 4.009 -0.617) 6.314 3.356 ( -4.393 3.885 0.383) 5.877 3.508 ( 11.023 5.779 -6.304) 13.951 4.082 ( -2.290 6.928 -2.807) 7.818 4.214 ( -9.852 7.117 5.827) 13.479 4.548 ( -3.949 -3.225 -4.443) 6.763 4.679 ( -0.643 3.451 0.890) 3.622 5.008 ( 0.053 -0.008 1.145) 1.146 5.415 ( 6.824 -8.910 3.140) 11.654 7.816 ( 2.959 -8.100 1.159) 8.701 9.250 ( -20.030 34.947 -0.553) 40.284 11.647 ( 14.601 -22.019 -0.314) 26.422======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.127 ( -11.754 -2.452 -0.627) 12.023 3.262 ( -10.550 3.994 0.332) 11.286 3.742 ( 11.065 2.761 -4.320) 12.195 4.037 ( -9.797 7.666 -1.220) 12.500 4.144 ( -6.864 4.330 2.679) 8.546 4.421 ( -4.545 -2.789 -3.905) 6.610 4.668 ( -4.731 1.986 1.964) 5.494 5.016 ( 0.699 -0.644 0.478) 1.064 5.412 ( 2.245 -8.860 2.660) 9.519 7.881 ( 9.061 -3.189 0.865) 9.645 9.195 ( -19.929 26.363 -0.622) 33.054 11.739 ( 17.557 -15.899 0.084) 23.686======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( -17.737 -2.914 0.327) 17.978 3.069 ( -15.094 1.420 0.502) 15.169 3.813 ( -5.710 0.295 -3.427) 6.666 3.969 ( -7.689 4.717 -0.494) 9.034 4.089 ( 2.573 1.998 -4.360) 5.442 4.339 ( -4.107 1.923 1.071) 4.659 4.553 ( -9.544 -2.597 4.090) 10.703 5.013 ( -0.712 -0.351 -0.488) 0.932 5.353 ( -0.764 -5.148 0.955) 5.291 7.975 ( 0.629 -0.510 1.046) 1.323 9.181 ( -1.051 12.944 -0.452) 12.995 11.916 ( 15.815 -7.493 -0.540) 17.509======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.475 ( -21.776 -1.220 0.332) 21.813 2.771 ( -19.536 -1.070 -0.200) 19.566 3.647 ( -10.605 -0.120 -2.195) 10.830 3.815 ( -9.814 0.358 -1.975) 10.017 4.166 ( 0.167 4.219 -10.419) 11.242 4.244 ( -16.691 1.678 1.894) 16.882 4.390 ( -0.534 -3.716 11.371) 11.975 4.985 ( -2.120 0.660 -0.999) 2.435 5.318 ( 0.950 -1.216 -0.552) 1.638 7.875 ( -10.392 -0.131 0.898) 10.431 9.442 ( 21.460 0.946 1.270) 21.518 12.113 ( 11.819 -0.928 -2.759) 12.172======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( -23.947 1.937 -0.389) 24.029 2.373 ( -23.703 -2.632 -1.921) 23.926 3.455 ( -12.158 2.300 -0.040) 12.374 3.652 ( -9.041 1.423 -3.776) 9.900 3.882 ( -21.900 -2.582 4.386) 22.484 4.107 ( -7.458 4.177 -8.293) 11.910 4.428 ( -1.451 1.927 7.742) 8.109 4.953 ( -2.694 2.097 -1.613) 3.776 5.370 ( 6.651 -1.134 -0.532) 6.768 7.691 ( -9.245 -0.721 0.573) 9.291 9.883 ( 30.685 -7.282 4.834) 31.905 12.269 ( 6.597 2.459 -7.361) 10.186======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( -0.000 21.374 1.019) 21.398 2.272 ( -0.000 18.719 5.787) 19.593 3.054 ( -0.000 2.557 -7.877) 8.281 3.397 ( -0.000 20.863 -7.229) 22.080 3.779 ( 0.000 4.353 2.890) 5.225 3.940 ( -0.000 11.765 0.094) 11.765 4.583 ( 0.000 11.075 5.279) 12.269 4.818 ( -0.000 6.704 -6.036) 9.021 5.486 ( 0.000 -7.138 0.388) 7.148 7.581 ( -0.000 4.181 0.127) 4.183 9.956 ( 0.000 -35.162 7.921) 36.043 12.345 ( -0.000 3.854 -12.877) 13.441======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.404 ( -1.810 19.768 -1.589) 19.914 2.525 ( 6.458 16.796 3.578) 18.346 3.159 ( 10.403 3.669 -6.891) 13.007 3.521 ( 0.105 10.719 -10.504) 15.008 3.857 ( 3.017 4.166 1.568) 5.377 4.110 ( 4.149 12.120 5.130) 13.800 4.686 ( -0.238 6.406 4.631) 7.908 4.880 ( -0.419 8.367 -2.948) 8.882 5.419 ( -2.553 -1.162 -0.985) 2.973 7.683 ( 5.761 6.803 0.402) 8.924 9.628 ( 0.827 -36.926 7.028) 37.598 12.273 ( -7.971 3.261 -9.970) 13.175======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( 1.808 17.978 -2.690) 18.268 2.832 ( 9.004 14.322 3.370) 17.250 3.362 ( 8.647 3.607 -10.365) 13.972 3.616 ( 6.082 7.183 -5.786) 11.048 3.979 ( 5.523 4.636 2.433) 7.610 4.312 ( 5.627 6.616 4.656) 9.855 4.730 ( -1.221 2.353 3.992) 4.792 4.940 ( -0.447 6.460 -1.195) 6.585 5.373 ( -4.694 5.024 -1.834) 7.116 7.905 ( 8.633 9.598 1.319) 12.977 9.310 ( 1.794 -32.106 4.200) 32.429 12.083 ( -12.683 0.262 -6.694) 14.343======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( 6.305 15.789 -1.786) 17.095 3.120 ( 7.845 10.982 2.746) 13.772 3.434 ( 2.029 2.245 -9.933) 10.384 3.836 ( 9.643 7.810 -3.817) 12.982 4.157 ( 7.586 5.384 4.394) 10.288 4.454 ( 5.669 0.556 2.477) 6.211 4.722 ( -2.550 0.800 2.548) 3.692 4.993 ( 1.267 3.324 0.044) 3.558 5.330 ( -6.461 6.158 -1.863) 9.118 8.069 ( -0.197 0.189 2.615) 2.629 9.185 ( 10.408 -9.001 0.714) 13.779 11.807 ( -13.722 -5.985 -3.865) 15.461======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.080 ( 8.404 11.516 -0.810) 14.280 3.314 ( 4.486 4.316 -1.098) 6.321 3.467 ( 0.447 6.319 -3.750) 7.362 4.029 ( 5.057 7.407 -3.627) 9.674 4.328 ( 3.860 2.136 6.226) 7.631 4.573 ( 7.010 3.009 -0.599) 7.652 4.679 ( -3.559 0.330 0.129) 3.577 5.048 ( 2.268 0.402 1.738) 2.886 5.255 ( -5.469 1.008 -1.272) 5.705 7.922 ( -7.139 -11.283 1.965) 13.496 9.482 ( 12.769 20.497 -0.338) 24.151 11.477 ( -9.917 -16.099 -1.862) 19.000======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.279 ( 3.346 2.390 -0.203) 4.117 3.393 ( 5.833 3.231 -5.073) 8.379 3.532 ( -3.208 8.748 1.588) 9.453 4.141 ( 1.474 6.068 -2.599) 6.764 4.364 ( -1.055 -1.841 5.873) 6.244 4.600 ( -5.271 -0.148 -2.255) 5.735 4.735 ( 2.812 9.868 -1.644) 10.392 5.053 ( -4.204 1.363 0.544) 4.453 5.200 ( 5.766 -9.551 2.017) 11.337 7.727 ( -2.403 -8.744 0.917) 9.114 9.870 ( -5.239 35.863 -0.345) 36.245 11.185 ( 5.110 -27.674 -0.621) 28.149======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.249 ( -5.167 -0.927 -0.620) 5.286 3.479 ( -7.153 4.491 -1.968) 8.672 3.583 ( 7.871 2.724 -0.427) 8.340 4.185 ( -1.860 4.246 -1.233) 4.797 4.304 ( -5.641 -1.920 2.684) 6.535 4.491 ( -6.229 0.652 -0.538) 6.286 4.798 ( -5.929 7.210 -1.250) 9.418 5.000 ( -0.011 -0.985 0.089) 0.990 5.247 ( 7.745 -8.280 2.058) 11.523 7.703 ( 6.352 -3.335 0.569) 7.197 9.870 ( -28.091 22.599 -0.336) 36.055 11.214 ( 23.929 -17.232 -0.216) 29.489======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.093 ( -12.488 0.513 0.089) 12.499 3.315 ( -12.461 -0.390 -0.104) 12.467 3.745 ( 7.946 0.748 -5.372) 9.621 4.141 ( -7.979 -1.371 -0.535) 8.114 4.161 ( -5.915 1.163 1.262) 6.159 4.423 ( -3.890 2.322 3.745) 5.878 4.697 ( -8.072 -0.816 -0.140) 8.114 5.013 ( 0.597 0.265 0.124) 0.665 5.296 ( 3.365 -1.834 -0.485) 3.863 7.851 ( 10.679 -0.267 0.891) 10.719 9.495 ( -23.947 0.368 -0.158) 23.951 11.545 ( 21.637 -0.246 -0.849) 21.655======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.834 ( -18.724 2.327 -0.281) 18.870 3.056 ( -15.528 -2.685 -0.725) 15.775 3.761 ( -4.118 -1.038 -7.877) 8.949 3.954 ( -8.172 -3.760 -0.966) 9.048 4.162 ( 1.647 3.740 1.437) 4.332 4.413 ( -1.746 0.509 8.258) 8.456 4.510 ( -11.861 -1.199 -0.234) 11.924 5.015 ( -0.565 0.443 -0.182) 0.741 5.321 ( -0.580 2.852 -2.201) 3.648 7.979 ( 0.684 0.056 1.386) 1.546 9.192 ( -0.461 -12.061 0.651) 12.087 11.897 ( 15.120 6.720 -2.456) 16.727======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -21.949 4.537 -1.543) 22.466 2.719 ( -19.864 -2.298 -2.652) 20.171 3.612 ( -7.424 -1.328 -3.710) 8.405 3.785 ( -7.601 -2.047 -0.798) 7.913 4.190 ( -6.411 -0.458 -8.840) 10.930 4.248 ( -12.132 3.010 4.767) 13.378 4.478 ( 0.999 3.113 10.587) 11.081 5.010 ( -0.974 1.469 -0.247) 1.780 5.323 ( -1.413 3.162 -2.929) 4.536 7.862 ( -10.824 -1.773 0.902) 11.005 9.284 ( 24.666 -16.620 3.473) 29.945 12.168 ( 8.737 7.975 -5.297) 12.961======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( -0.000 18.483 -5.674) 19.335 2.631 ( -0.000 14.666 1.358) 14.729 3.067 ( -0.000 2.548 -3.964) 4.712 3.563 ( -0.000 4.678 -9.966) 11.009 3.873 ( 0.000 3.539 1.787) 3.965 4.214 ( 0.000 11.005 6.202) 12.632 4.744 ( 0.000 3.096 2.490) 3.973 4.968 ( -0.000 7.530 -0.224) 7.533 5.464 ( -0.000 6.694 -1.576) 6.877 7.688 ( -0.000 6.161 0.071) 6.162 9.271 ( 0.000 -36.475 6.399) 37.032 12.349 ( -0.000 2.832 -7.814) 8.311======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.729 ( -1.080 15.462 -6.942) 16.983 2.836 ( 6.272 12.692 1.753) 14.265 3.185 ( 10.066 2.572 -5.596) 11.801 3.582 ( 2.105 2.465 -4.578) 5.610 3.945 ( 3.791 3.408 1.437) 5.296 4.336 ( 1.251 6.251 5.672) 8.533 4.767 ( -0.536 1.039 1.694) 2.058 5.018 ( -1.108 4.890 -0.391) 5.029 5.527 ( -3.503 11.456 -1.333) 12.053 7.835 ( 8.855 7.737 0.350) 11.764 8.949 ( 1.727 -33.282 4.435) 33.621 12.274 ( -8.857 1.672 -5.431) 10.524======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 3.139 13.768 -3.953) 14.664 3.082 ( 7.906 8.773 2.931) 12.168 3.337 ( 7.258 0.568 -9.267) 11.785 3.710 ( 10.052 4.177 -0.077) 10.885 4.086 ( 7.576 4.179 1.833) 8.844 4.406 ( 1.120 0.463 4.561) 4.719 4.758 ( -1.407 -0.053 0.726) 1.584 5.035 ( -1.304 3.414 -0.628) 3.708 5.540 ( -7.510 10.381 -1.150) 12.864 8.065 ( 4.311 3.783 1.494) 5.927 8.784 ( 15.098 -20.061 1.344) 25.143 12.046 ( -16.334 -0.568 -3.260) 16.666======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.071 ( 5.588 10.551 -0.816) 11.967 3.259 ( 4.380 2.329 0.211) 4.965 3.441 ( 7.075 3.065 -4.113) 8.739 3.951 ( 10.693 5.249 -1.775) 12.043 4.287 ( 7.046 4.303 4.319) 9.317 4.440 ( 5.854 -2.813 1.695) 6.712 4.724 ( -2.256 -0.549 -0.458) 2.367 5.038 ( -0.923 1.087 0.058) 1.427 5.459 ( -11.027 6.270 -1.227) 12.744 7.965 ( -8.588 -8.700 1.324) 12.297 9.170 ( 33.024 4.160 -0.004) 33.285 11.680 ( -22.177 -4.361 -1.605) 22.659======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.245 ( 4.431 4.254 1.276) 6.273 3.321 ( 3.825 1.118 -2.323) 4.613 3.587 ( 4.686 3.692 -0.150) 5.968 4.139 ( 5.370 5.701 -3.208) 8.464 4.333 ( 0.221 -4.608 5.868) 7.465 4.655 ( 7.197 1.418 -4.924) 8.835 4.677 ( 4.375 2.839 2.821) 5.930 5.026 ( 0.245 -2.627 1.226) 2.909 5.283 ( -13.141 1.738 -1.120) 13.302 7.740 ( -7.367 -5.886 0.381) 9.437 9.860 ( 34.446 13.130 0.065) 36.864 11.183 ( -26.557 -9.794 -0.548) 28.311======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.292 ( -0.057 0.332 0.375) 0.504 3.440 ( 6.642 2.277 -0.934) 7.083 3.627 ( -2.518 -0.737 0.747) 2.728 4.222 ( 0.107 3.198 -2.145) 3.852 4.311 ( 0.901 -4.714 2.483) 5.403 4.595 ( -4.241 0.481 -0.609) 4.311 4.954 ( 7.926 10.126 -1.200) 12.914 4.998 ( 1.403 -10.292 2.014) 10.581 5.065 ( -8.439 0.106 -0.731) 8.471 7.634 ( -0.891 -0.406 0.000) 0.979 10.569 ( -30.560 -13.262 0.000) 33.314 10.575 ( 31.591 13.723 -0.000) 34.443======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.267 ( -5.135 2.431 1.179) 5.803 3.471 ( -7.587 -4.608 -1.740) 9.046 3.599 ( 6.969 -0.132 -0.088) 6.970 4.215 ( -1.331 -2.097 1.493) 2.898 4.234 ( -5.755 -3.308 -2.875) 7.233 4.540 ( -4.094 2.218 3.406) 5.769 4.808 ( -7.800 -6.240 -0.373) 9.996 5.005 ( -0.030 -0.014 0.730) 0.731 5.207 ( 8.061 6.072 -1.881) 10.266 7.699 ( 6.593 2.662 0.164) 7.112 9.875 ( -28.061 -22.206 0.144) 35.785 11.212 ( 23.513 17.408 -0.415) 29.258======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( -13.333 2.080 1.230) 13.550 3.246 ( -10.565 -3.665 -1.196) 11.247 3.716 ( 5.120 0.528 -6.868) 8.583 4.042 ( -8.516 -6.103 0.247) 10.480 4.165 ( -0.763 -4.834 3.502) 6.018 4.509 ( -4.081 2.868 4.973) 7.043 4.643 ( -6.204 -2.719 -0.536) 6.795 5.009 ( 0.749 -0.735 -0.234) 1.075 5.360 ( 2.193 8.028 -2.424) 8.668 7.881 ( 9.587 2.580 0.884) 9.968 9.203 ( -19.740 -26.156 0.164) 32.769 11.725 ( 16.652 16.015 -1.376) 23.144======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( -16.504 -1.607 0.032) 16.582 3.021 ( -16.595 4.538 -3.378) 17.533 3.681 ( -4.700 -1.972 -7.656) 9.197 3.867 ( -5.711 -4.772 1.933) 7.689 4.150 ( 3.279 -4.749 -1.268) 5.909 4.480 ( -6.658 3.068 6.351) 9.699 4.540 ( -3.246 1.443 3.703) 5.131 5.013 ( 0.493 -0.267 -0.972) 1.122 5.427 ( -2.985 8.266 -2.692) 9.192 7.987 ( -2.795 -0.453 1.303) 3.117 8.794 ( 6.378 -24.941 1.207) 25.772 12.094 ( 10.149 12.589 -2.985) 16.444======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( -0.000 9.742 -3.300) 10.285 2.883 ( -0.000 13.984 -9.173) 16.724 3.104 ( 0.000 1.702 1.711) 2.414 3.564 ( -0.000 0.119 -1.060) 1.067 3.939 ( -0.000 2.192 0.654) 2.288 4.401 ( 0.000 4.013 5.231) 6.593 4.785 ( 0.000 0.704 0.799) 1.065 5.065 ( -0.000 3.369 -0.989) 3.511 5.682 ( -0.000 12.634 -0.912) 12.667 7.810 ( -0.000 5.493 0.032) 5.493 8.640 ( 0.000 -28.293 3.463) 28.504 12.355 ( -0.000 1.500 -3.827) 4.110======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( 1.294 9.793 -4.821) 10.992 3.053 ( 6.192 9.017 -1.586) 11.053 3.186 ( 6.298 0.006 -1.546) 6.485 3.601 ( 4.913 0.068 2.035) 5.319 4.003 ( 5.043 1.791 0.179) 5.355 4.433 ( -0.906 0.770 4.303) 4.465 4.783 ( -1.039 0.397 0.083) 1.115 5.083 ( -0.912 2.534 -1.182) 2.942 5.750 ( -4.811 9.462 -1.022) 10.664 7.979 ( 11.510 6.208 0.203) 13.078 8.407 ( 2.529 -21.766 1.640) 21.973 12.274 ( -9.680 0.880 -2.204) 9.967======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 4.412 7.180 -0.405) 8.437 3.226 ( 3.095 2.827 3.204) 5.276 3.289 ( 9.458 0.745 -5.047) 10.746 3.769 ( 12.607 0.955 1.610) 12.745 4.152 ( 10.311 1.613 -0.316) 10.441 4.412 ( -2.218 -1.888 3.409) 4.484 4.757 ( -2.049 0.014 -0.515) 2.113 5.076 ( -1.685 1.303 -0.886) 2.307 5.694 ( -9.300 4.640 -1.320) 10.477 8.046 ( -7.382 -3.943 0.352) 8.377 8.580 ( 32.541 -2.670 0.142) 32.650 12.027 ( -18.700 0.146 -0.835) 18.719======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.203 ( 4.142 0.152 2.550) 4.866 3.271 ( 3.200 0.867 0.048) 3.316 3.475 ( 9.083 1.792 -0.661) 9.281 4.012 ( 12.430 1.054 0.260) 12.477 4.345 ( -3.141 -3.711 2.637) 5.531 4.387 ( 15.519 0.335 -1.416) 15.587 4.717 ( -2.266 0.363 -0.407) 2.331 5.045 ( -2.284 -0.055 -0.427) 2.324 5.523 ( -12.485 0.401 -1.278) 12.556 7.858 ( -9.600 -0.704 -0.505) 9.639 9.229 ( 40.447 0.068 0.254) 40.448 11.635 ( -26.307 0.771 0.151) 26.319======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.239 ( 4.002 -4.227 0.229) 5.825 3.375 ( 4.630 1.858 3.408) 6.042 3.588 ( 3.574 -2.664 -0.023) 4.457 4.195 ( 7.852 -0.620 0.141) 7.878 4.261 ( -2.479 -3.239 0.766) 4.150 4.600 ( 6.317 -2.449 -5.095) 8.478 4.736 ( 6.969 -0.766 3.306) 7.751 5.008 ( -1.149 0.954 -0.565) 1.597 5.288 ( -12.957 -0.533 -0.560) 12.980 7.727 ( -7.095 4.716 -0.882) 8.565 9.861 ( 34.313 -12.988 0.215) 36.690 11.197 ( -26.725 11.016 0.785) 28.917======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.283 ( 4.882 -2.541 -0.194) 5.507 3.445 ( 1.638 -5.174 0.824) 5.489 3.557 ( -1.280 -2.386 3.626) 4.525 4.190 ( -0.115 -6.308 2.200) 6.682 4.264 ( -0.888 -0.168 -3.986) 4.087 4.598 ( -0.515 0.089 -2.179) 2.241 4.780 ( 0.968 -10.183 2.438) 10.516 5.029 ( -1.661 -0.937 -1.640) 2.515 5.184 ( 1.918 9.308 0.331) 9.509 7.709 ( -1.889 7.710 -0.814) 7.980 9.875 ( -5.078 -35.502 0.149) 35.864 11.199 ( 4.235 28.357 0.774) 28.682======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.283 ( -7.051 -10.667 0.270) 12.790 3.340 ( 0.955 1.353 -0.479) 1.724 3.610 ( 4.397 1.271 2.374) 5.156 4.116 ( -2.415 -8.690 -0.141) 9.020 4.133 ( -7.095 -5.053 -0.993) 8.767 4.591 ( -1.269 0.344 0.406) 1.377 4.679 ( -2.172 -4.206 0.372) 4.749 4.992 ( -0.226 -0.477 -0.331) 0.622 5.374 ( 5.760 9.126 -0.808) 10.822 7.802 ( 3.738 7.187 -0.286) 8.106 9.257 ( -20.085 -34.846 0.134) 40.220 11.651 ( 13.534 22.657 0.075) 26.392======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.035 ( -9.339 -8.870 0.002) 12.880 3.326 ( -8.520 7.804 -0.341) 11.559 3.686 ( 0.784 1.334 -7.493) 7.651 3.901 ( -5.414 -9.624 4.364) 11.873 4.034 ( 0.487 -7.966 0.414) 7.992 4.554 ( -1.535 -0.935 1.644) 2.436 4.644 ( -2.702 2.190 1.946) 3.985 4.995 ( 0.661 -0.084 -0.914) 1.131 5.524 ( 1.477 8.344 -1.021) 8.535 7.955 ( 6.075 4.040 0.733) 7.332 8.606 ( -14.313 -30.416 0.041) 33.615 12.053 ( 10.140 15.722 -0.946) 18.732======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.984 ( -0.000 4.795 -5.466) 7.271 3.070 ( -0.000 8.952 -2.226) 9.225 3.145 ( 0.000 -0.420 5.753) 5.769 3.557 ( 0.000 -1.763 2.084) 2.730 3.968 ( -0.000 0.611 -0.473) 0.773 4.457 ( 0.000 -0.515 3.173) 3.214 4.797 ( -0.000 0.307 -0.388) 0.495 5.108 ( -0.000 1.615 -1.247) 2.041 5.866 ( -0.000 5.357 -1.416) 5.541 7.890 ( -0.000 2.186 0.011) 2.186 8.243 ( 0.000 -11.475 0.442) 11.484 12.364 ( -0.000 1.013 -0.989) 1.415======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.044 ( 4.307 2.059 -2.707) 5.488 3.155 ( 2.643 -1.609 1.862) 3.611 3.219 ( 5.038 5.297 5.770) 9.313 3.592 ( 6.591 -1.978 0.941) 6.946 4.016 ( 5.509 -0.227 -1.109) 5.624 4.440 ( -1.545 -1.842 2.063) 3.168 4.784 ( -1.221 -0.195 -0.922) 1.542 5.106 ( -0.976 0.466 -1.034) 1.497 5.843 ( -5.209 0.211 -1.790) 5.512 8.083 ( 20.377 0.044 0.085) 20.377 8.136 ( -4.843 -0.968 -0.851) 5.011 12.285 ( -10.048 1.000 0.149) 10.099======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.129 ( 3.279 -4.051 4.761) 7.059 3.164 ( 5.868 -5.195 -3.062) 8.413 3.399 ( 5.394 6.379 6.478) 10.571 3.764 ( 14.300 -2.062 0.978) 14.481 4.136 ( 9.850 -2.439 -2.003) 10.343 4.387 ( -2.322 -1.894 0.920) 3.134 4.750 ( -1.730 -0.312 -1.348) 2.215 5.077 ( -1.838 -0.706 -0.753) 2.108 5.690 ( -9.093 -3.927 -1.657) 10.043 8.025 ( -7.324 2.467 -1.685) 7.910 8.581 ( 32.754 2.534 0.319) 32.853 12.046 ( -18.839 1.720 1.048) 18.946======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( 3.547 -10.212 1.642) 10.935 3.259 ( 8.357 -4.689 0.137) 9.584 3.541 ( 2.393 3.429 6.690) 7.889 3.995 ( 13.205 -3.326 2.079) 13.776 4.219 ( 3.857 -7.029 -2.267) 8.333 4.402 ( 6.758 1.052 -2.100) 7.155 4.719 ( -0.847 -0.501 -1.000) 1.403 5.032 ( -1.665 -1.044 -0.510) 2.030 5.464 ( -10.473 -4.973 -0.702) 11.615 7.930 ( -8.212 7.242 -2.135) 11.155 9.175 ( 33.090 -4.169 0.541) 33.356 11.713 ( -22.539 6.069 1.671) 23.401======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.092 ( 7.768 -10.616 0.343) 13.158 3.316 ( 5.242 -9.834 -0.242) 11.146 3.596 ( -0.870 1.768 8.590) 8.813 4.100 ( 3.536 -8.078 3.354) 9.434 4.222 ( 4.160 -1.319 -4.643) 6.372 4.522 ( 6.036 -1.190 -5.110) 7.997 4.689 ( 0.089 -5.333 0.718) 5.381 5.021 ( 1.005 0.187 -0.868) 1.342 5.279 ( -5.470 -0.021 1.192) 5.599 7.881 ( -6.434 9.921 -2.115) 12.012 9.489 ( 12.773 -20.379 0.371) 24.054 11.516 ( -10.747 17.452 2.009) 20.594======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.156 ( 9.859 -10.609 -1.173) 14.530 3.235 ( 0.954 -11.835 0.951) 11.912 3.636 ( -0.245 2.429 9.486) 9.795 4.045 ( -0.186 -8.671 0.001) 8.673 4.198 ( -4.475 -3.395 -3.458) 6.596 4.556 ( 2.628 -1.419 -4.877) 5.719 4.640 ( 1.309 -5.598 0.369) 5.761 5.008 ( -1.523 -0.358 -0.020) 1.565 5.341 ( 6.313 5.683 1.478) 8.622 7.893 ( -3.107 9.995 -1.628) 10.593 9.203 ( -12.756 -30.077 0.132) 32.671 11.710 ( 6.120 21.853 1.723) 22.760======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.987 ( -0.000 -1.679 -4.831) 5.114 3.160 ( 0.000 -1.661 7.027) 7.221 3.196 ( 0.000 -1.709 10.538) 10.676 3.530 ( -0.000 1.056 -0.785) 1.316 3.957 ( -0.000 -1.025 -1.572) 1.877 4.434 ( 0.000 -3.031 0.853) 3.149 4.785 ( -0.000 -0.941 -1.766) 2.001 5.111 ( -0.000 -0.682 -0.890) 1.121 5.859 ( -0.000 -4.791 -2.056) 5.214 7.890 ( 0.000 -2.207 -0.008) 2.207 8.218 ( -0.000 9.519 -2.039) 9.735 12.386 ( 0.000 1.135 1.151) 1.616======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.983 ( 5.310 -5.827 -4.207) 8.936 3.079 ( -2.669 -9.517 6.825) 12.012 3.337 ( 11.214 -1.619 10.813) 15.662 3.596 ( 3.537 4.420 2.003) 6.005 3.980 ( 4.847 -2.248 -2.175) 5.769 4.388 ( -0.989 -4.141 -0.293) 4.268 4.757 ( -0.822 -1.404 -2.874) 3.302 5.087 ( -0.985 -1.862 -0.651) 2.204 5.742 ( -4.651 -8.419 -1.758) 9.778 7.972 ( 10.299 -6.272 -0.560) 12.072 8.369 ( 4.117 19.922 -2.113) 20.453 12.316 ( -9.839 1.418 2.010) 10.142======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.939 ( 0.962 -14.464 1.186) 14.544 3.036 ( 8.360 -8.869 -0.569) 12.201 3.549 ( 7.683 0.179 11.924) 14.186 3.741 ( 9.551 0.452 3.276) 10.107 4.042 ( 6.331 -4.932 -2.511) 8.409 4.343 ( 1.380 -2.631 -1.802) 3.475 4.715 ( -0.914 -1.961 -3.955) 4.508 5.039 ( -1.473 -2.782 -0.130) 3.150 5.544 ( -7.016 -8.792 -0.805) 11.277 8.027 ( 2.632 -3.313 -2.229) 4.783 8.766 ( 17.402 17.724 -0.511) 24.844 12.106 ( -16.765 2.982 2.666) 17.235======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( 5.584 -16.187 0.638) 17.135 3.081 ( 8.360 -12.264 -1.170) 14.888 3.648 ( 0.613 -0.790 11.609) 11.652 3.918 ( 9.974 -6.243 4.169) 12.483 4.081 ( 5.839 -3.538 -2.814) 7.385 4.396 ( 6.614 -0.360 -3.576) 7.528 4.646 ( -1.799 -5.454 -5.005) 7.617 5.000 ( 0.410 -1.944 0.693) 2.104 5.355 ( -5.684 -4.800 0.663) 7.470 8.014 ( -0.733 0.043 -2.762) 2.858 9.177 ( 11.682 6.873 -0.080) 13.554 11.878 ( -14.549 8.400 3.212) 17.104======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( 11.487 -15.432 0.542) 19.245 3.051 ( 4.697 -15.495 0.114) 16.192 3.672 ( 0.610 -2.326 10.383) 10.658 3.944 ( 2.356 -8.678 1.360) 9.094 4.170 ( 4.465 -0.602 -0.582) 4.543 4.492 ( 4.013 1.297 -6.540) 7.782 4.520 ( 0.677 -10.618 -3.395) 11.168 5.013 ( 0.959 -0.473 0.291) 1.108 5.299 ( 2.091 0.469 2.389) 3.210 7.997 ( -0.493 0.437 -2.337) 2.428 9.198 ( -10.335 -5.464 -0.644) 11.708 11.868 ( -1.388 15.499 3.482) 15.946======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.844 ( -0.000 -9.624 -4.479) 10.615 3.044 ( 0.000 -17.073 6.129) 18.140 3.179 ( 0.000 -1.298 7.900) 8.006 3.666 ( 0.000 7.292 10.031) 12.402 3.907 ( -0.000 -2.618 -2.641) 3.719 4.336 ( 0.000 -7.048 -1.292) 7.165 4.734 ( -0.000 -2.094 -4.778) 5.217 5.069 ( 0.000 -2.979 -0.367) 3.002 5.677 ( 0.000 -11.064 -1.310) 11.142 7.809 ( 0.000 -5.521 -0.035) 5.521 8.570 ( -0.000 26.365 -3.447) 26.589 12.423 ( 0.000 1.281 2.887) 3.158======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.757 ( 3.477 -14.114 -4.991) 15.369 2.840 ( -0.540 -17.039 3.605) 17.425 3.323 ( 12.864 -3.623 7.544) 15.346 3.757 ( -0.556 2.641 12.560) 12.847 3.906 ( 3.969 -2.944 -1.905) 5.297 4.258 ( 1.355 -8.152 -2.088) 8.523 4.687 ( -0.574 -2.809 -6.646) 7.238 5.026 ( -0.899 -4.031 0.454) 4.155 5.534 ( -3.287 -9.823 -0.597) 10.375 7.827 ( 7.903 -7.683 -0.522) 11.034 8.874 ( 3.113 31.274 -2.980) 31.570 12.365 ( -9.161 1.567 3.586) 9.962======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.592 ( 1.968 -19.918 -1.429) 20.066 2.788 ( 8.855 -15.241 -1.156) 17.665 3.532 ( 11.938 -5.661 6.555) 14.749 3.766 ( 1.865 -6.681 7.228) 10.018 3.972 ( 4.787 -0.668 4.046) 6.303 4.236 ( 5.966 -7.182 -2.896) 9.776 4.607 ( -1.793 -4.692 -8.489) 9.863 4.974 ( -0.297 -3.838 1.936) 4.309 5.392 ( -4.156 -4.603 0.026) 6.201 7.877 ( 7.330 -9.037 -1.445) 11.725 9.248 ( 3.540 29.365 -2.003) 29.646 12.193 ( -13.329 3.397 4.256) 14.399======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 8.696 -19.554 -0.287) 21.402 2.771 ( 8.068 -18.032 -0.267) 19.757 3.610 ( 4.095 -7.624 5.696) 10.360 3.789 ( 6.234 -8.474 3.364) 11.045 4.080 ( 6.083 0.108 7.130) 9.373 4.270 ( 8.569 -12.590 -3.418) 15.609 4.493 ( -2.242 -1.931 -10.039) 10.466 4.971 ( 2.427 -1.663 1.757) 3.427 5.310 ( -2.575 0.009 1.076) 2.791 7.887 ( 5.173 -9.434 -1.597) 10.877 9.460 ( -9.740 20.394 -2.446) 22.732 12.075 ( -6.811 8.348 5.117) 11.928======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( -0.000 -16.066 -5.582) 17.008 2.660 ( 0.000 -22.397 -0.190) 22.398 3.204 ( 0.000 -1.589 9.086) 9.224 3.809 ( 0.000 -5.886 13.590) 14.810 3.821 ( -0.000 -3.963 -3.665) 5.398 4.148 ( 0.000 -8.856 0.676) 8.882 4.635 ( -0.000 -3.994 -8.315) 9.225 4.992 ( 0.000 -4.871 1.700) 5.159 5.475 ( 0.000 -6.387 -0.610) 6.416 7.687 ( 0.000 -6.196 -0.056) 6.196 9.173 ( -0.000 34.764 -3.317) 34.922 12.471 ( 0.000 1.163 4.258) 4.414======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( -0.210 -21.946 -5.388) 22.598 2.477 ( 6.196 -19.655 -1.956) 20.701 3.306 ( 9.344 -3.150 7.894) 12.631 3.676 ( -1.093 -15.176 3.496) 15.612 3.848 ( 7.019 -7.530 0.031) 10.294 4.100 ( 0.945 -6.298 6.330) 8.979 4.551 ( -0.779 -5.786 -8.760) 10.527 4.947 ( -0.389 -4.438 3.322) 5.557 5.420 ( -2.190 0.082 -0.934) 2.382 7.675 ( 5.057 -6.741 -0.384) 8.436 9.533 ( 1.417 35.246 -2.451) 35.360 12.421 ( -8.209 1.358 4.784) 9.598======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 4.758 -23.019 -3.531) 23.769 2.421 ( 9.554 -20.421 -1.215) 22.578 3.429 ( 7.386 -9.285 2.338) 12.093 3.588 ( 7.777 -12.159 5.789) 15.551 3.900 ( 9.692 -11.895 -2.322) 15.518 4.070 ( 1.485 -7.523 7.047) 10.415 4.456 ( -0.236 -4.460 -7.889) 9.065 4.926 ( 1.036 -2.500 3.299) 4.267 5.391 ( -3.818 4.635 -0.641) 6.040 7.694 ( 5.284 -7.831 -0.769) 9.478 9.849 ( -4.935 31.117 -2.689) 31.621 12.292 ( -9.231 3.177 5.877) 11.395======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( -0.000 -21.029 -7.274) 22.251 2.168 ( 0.000 -25.003 -4.748) 25.450 3.230 ( 0.000 -1.875 9.695) 9.874 3.461 ( 0.000 -29.572 1.048) 29.591 3.706 ( -0.000 -4.762 -4.615) 6.632 4.060 ( 0.000 -8.132 10.190) 13.037 4.463 ( -0.000 -7.905 -6.671) 10.344 4.921 ( 0.000 -3.591 4.391) 5.672 5.467 ( -0.000 6.053 -1.581) 6.256 7.579 ( 0.000 -4.224 -0.048) 4.224 9.869 ( -0.000 35.194 -0.980) 35.207 12.521 ( 0.000 0.941 4.643) 4.738======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -0.191 -25.256 -7.257) 26.278 2.032 ( 9.378 -22.750 -4.263) 24.974 3.171 ( 4.661 -28.172 -0.758) 28.565 3.327 ( 8.849 -6.496 9.617) 14.594 3.674 ( 3.480 -6.641 -5.601) 9.358 3.991 ( 0.537 -11.279 7.575) 13.597 4.367 ( 0.732 -8.035 -3.915) 8.968 4.907 ( 0.079 -1.953 3.996) 4.449 5.519 ( -2.752 9.468 -1.322) 9.949 7.567 ( 2.483 -3.685 -0.216) 4.449 10.212 ( -0.630 32.708 0.164) 32.715 12.477 ( -7.059 1.031 4.755) 8.573======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 0.000 -26.211 -8.010) 27.407 1.632 ( -0.000 -24.299 -8.718) 25.815 2.758 ( 0.000 -39.793 0.183) 39.793 3.253 ( 0.000 -1.877 9.412) 9.597 3.577 ( -0.000 -4.794 -5.421) 7.237 3.871 ( 0.000 -14.392 3.772) 14.878 4.261 ( 0.000 -9.866 -0.279) 9.870 4.904 ( 0.000 -0.887 3.188) 3.309 5.650 ( -0.000 11.672 -1.011) 11.715 7.525 ( 0.000 -1.155 -0.010) 1.155 10.536 ( -0.000 29.853 5.031) 30.274 12.562 ( 0.000 0.846 2.013) 2.183======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.506 ( 0.000 -0.000 25.588) 25.588 0.506 ( 0.000 -0.000 25.588) 25.588 0.896 ( 0.000 -0.000 46.192) 46.192 3.126 ( -0.000 0.000 -9.392) 9.392 3.126 ( -0.000 0.000 -9.392) 9.392 3.452 ( 0.000 -0.000 5.963) 5.963 3.452 ( 0.000 -0.000 5.963) 5.963 5.685 ( -0.000 0.000 -28.114) 28.114 6.614 ( 0.000 -0.000 17.692) 17.692 7.570 ( 0.000 -0.000 0.353) 0.353 7.570 ( 0.000 -0.000 0.353) 0.353 13.316 ( 0.000 -0.000 0.196) 0.196======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 12.192 7.039 17.194) 22.222 0.800 ( 8.407 4.854 25.942) 27.699 1.422 ( 29.828 17.221 27.005) 43.767 3.144 ( 2.799 1.616 -9.148) 9.702 3.215 ( 8.129 4.693 -10.299) 13.935 3.474 ( 0.776 0.448 5.981) 6.048 3.731 ( 14.656 8.461 -4.907) 17.620 5.106 ( -17.968 -10.374 -1.453) 20.799 6.115 ( -9.895 -5.713 9.093) 14.602 7.558 ( -1.078 -0.622 0.396) 1.306 9.857 ( 84.547 48.813 -68.231) 119.107 12.906 ( -28.122 -16.236 9.040) 33.707======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 18.336 10.586 9.139) 23.061 1.097 ( 11.906 6.874 15.895) 21.015 2.231 ( 32.893 18.991 13.582) 40.337 3.195 ( 4.023 2.323 -8.812) 9.962 3.425 ( 12.400 7.159 -8.341) 16.571 3.523 ( 1.771 1.023 5.887) 6.232 4.032 ( 12.903 7.450 -2.416) 15.094 4.872 ( -3.953 -2.282 -6.313) 7.791 5.916 ( -10.013 -5.781 3.573) 12.102 7.533 ( -0.933 -0.539 0.348) 1.132 10.912 ( 26.056 15.043 -24.512) 38.808 12.283 ( -23.388 -13.503 -4.754) 27.421======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 16.171 9.336 4.957) 19.319 1.539 ( 19.344 11.168 4.985) 22.886 2.981 ( 28.929 16.702 4.441) 33.698 3.269 ( 4.664 2.693 -8.310) 9.902 3.590 ( 2.403 1.387 5.731) 6.367 3.713 ( 13.983 8.073 -5.088) 16.929 4.311 ( 11.352 6.554 0.036) 13.108 4.833 ( 2.030 1.172 -6.486) 6.897 5.675 ( -11.388 -6.575 1.930) 13.290 7.531 ( 0.892 0.515 0.238) 1.057 10.904 ( -23.913 -13.806 12.935) 30.491 12.014 ( 5.340 3.083 -25.596) 26.329======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 19.734 11.394 -1.948) 22.870 1.982 ( 17.683 10.209 2.471) 20.567 3.351 ( 4.539 2.620 -7.583) 9.218 3.558 ( 20.313 11.728 -5.183) 24.021 3.667 ( 2.630 1.519 5.499) 6.282 4.021 ( 13.212 7.628 0.993) 15.288 4.542 ( 8.213 4.742 1.436) 9.592 4.921 ( 6.573 3.795 -3.414) 8.322 5.426 ( -9.739 -5.623 0.617) 11.263 7.582 ( 3.536 2.042 0.132) 4.086 10.187 ( -37.163 -21.456 10.734) 44.235 12.142 ( 8.350 4.821 -15.682) 18.409======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.347 ( 22.129 12.776 -5.326) 26.102 2.357 ( 14.160 8.176 1.003) 16.382 3.424 ( 3.640 2.102 -6.733) 7.938 3.742 ( 2.329 1.344 5.114) 5.778 3.862 ( 8.722 5.036 -11.801) 15.515 4.328 ( 11.977 6.915 6.019) 15.083 4.684 ( 3.129 1.806 2.989) 4.689 5.027 ( -0.048 -0.028 -0.220) 0.227 5.324 ( 4.056 2.342 -0.974) 4.784 7.688 ( 5.304 3.062 0.071) 6.125 9.355 ( -36.031 -20.803 6.382) 42.092 12.258 ( 4.872 2.813 -7.713) 9.546======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( 9.526 5.500 0.612) 11.016 2.847 ( 22.555 13.022 -6.914) 26.946 3.472 ( 2.179 1.258 -6.120) 6.617 3.803 ( 1.452 0.838 4.618) 4.913 3.919 ( -0.060 -0.035 -10.795) 10.795 4.574 ( 6.812 3.933 4.129) 8.884 4.701 ( -2.028 -1.171 5.606) 6.076 4.986 ( -0.817 -0.472 -1.497) 1.770 5.519 ( 9.397 5.425 0.958) 10.893 7.810 ( 4.780 2.760 0.037) 5.520 8.623 ( -27.599 -15.934 3.860) 32.101 12.325 ( 2.660 1.536 -3.415) 4.593======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.796 ( 4.110 2.373 1.317) 4.925 3.321 ( 19.637 11.338 -7.071) 23.752 3.484 ( 0.647 0.373 -6.219) 6.263 3.803 ( -7.064 -4.079 -8.040) 11.453 3.836 ( 0.144 0.083 4.220) 4.224 4.606 ( -2.739 -1.581 3.090) 4.421 4.705 ( -0.589 -0.340 1.742) 1.871 4.997 ( 1.616 0.933 0.836) 2.045 5.692 ( 4.384 2.531 2.683) 5.730 7.890 ( 1.907 1.101 0.008) 2.202 8.168 ( -11.527 -6.655 2.432) 13.531 12.367 ( 1.754 1.012 -1.056) 2.284======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.826 ( -2.198 -1.269 2.749) 3.742 3.466 ( -0.315 -0.182 -7.116) 7.126 3.467 ( -13.020 -7.517 1.036) 15.070 3.777 ( 14.733 8.506 -12.864) 21.328 3.835 ( -1.349 -0.779 4.113) 4.398 4.542 ( -3.584 -2.069 -0.472) 4.165 4.632 ( -5.385 -3.109 2.120) 6.569 5.038 ( 0.927 0.535 2.082) 2.341 5.722 ( -2.636 -1.522 3.535) 4.665 7.890 ( -1.936 -1.118 -0.007) 2.236 8.136 ( 8.202 4.736 1.198) 9.547 12.404 ( 1.634 0.943 0.417) 1.933======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.708 ( -8.904 -5.141 4.061) 11.054 3.074 ( -19.748 -11.401 3.133) 23.017 3.429 ( -0.732 -0.423 -8.106) 8.150 3.801 ( -2.753 -1.589 4.320) 5.363 4.062 ( 11.198 6.465 -12.522) 18.000 4.387 ( -8.788 -5.074 -4.295) 11.019 4.530 ( -4.616 -2.665 6.753) 8.603 5.045 ( -0.682 -0.394 1.246) 1.475 5.605 ( -7.861 -4.538 3.439) 9.706 7.809 ( -4.808 -2.776 0.001) 5.552 8.518 ( 23.512 13.575 -0.278) 27.151 12.447 ( 1.814 1.047 1.441) 2.543======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.447 ( -14.756 -8.519 5.043) 17.769 2.606 ( -21.714 -12.537 5.239) 25.615 3.380 ( -1.165 -0.672 -8.707) 8.810 3.738 ( -3.805 -2.197 4.710) 6.441 3.985 ( -15.911 -9.186 -4.986) 19.037 4.295 ( 1.313 0.758 -13.351) 13.437 4.448 ( -3.867 -2.233 10.662) 11.559 5.019 ( -1.678 -0.969 -1.004) 2.183 5.440 ( -5.336 -3.081 2.911) 6.815 7.686 ( -5.368 -3.099 0.004) 6.198 9.157 ( 30.840 17.806 -1.677) 35.650 12.495 ( 1.849 1.068 1.862) 2.833======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( -18.914 -10.920 6.395) 22.757 2.113 ( -22.546 -13.017 6.605) 26.859 3.320 ( -1.565 -0.904 -9.106) 9.283 3.475 ( -26.734 -15.435 -2.176) 30.947 3.659 ( -4.308 -2.487 5.110) 7.131 4.148 ( -9.414 -5.435 -7.032) 12.946 4.408 ( -4.164 -2.404 4.098) 6.317 4.956 ( -2.715 -1.567 -2.818) 4.215 5.450 ( 5.512 3.182 1.756) 6.602 7.579 ( -3.655 -2.110 -0.008) 4.220 9.877 ( 31.237 18.035 -2.742) 36.174 12.539 ( 1.436 0.829 0.952) 1.911======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 0.000 19.966 17.637) 26.640 0.939 ( 0.000 18.418 19.509) 26.830 1.422 ( 0.000 23.111 32.398) 39.796 3.048 ( -0.000 0.005 -10.159) 10.159 3.240 ( -0.000 11.973 -9.547) 15.313 3.515 ( 0.000 2.162 5.071) 5.512 3.698 ( -0.000 15.558 -2.881) 15.823 5.090 ( -0.000 -20.453 -6.641) 21.504 6.146 ( 0.000 -13.870 10.582) 17.445 7.557 ( 0.000 -1.357 0.370) 1.407 9.600 ( -0.000 91.924 -56.492) 107.895 12.975 ( 0.000 -26.105 5.506) 26.679======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 3.549 23.020 11.016) 25.766 1.163 ( -0.071 15.973 21.368) 26.679 2.002 ( 22.807 25.776 16.749) 38.276 3.080 ( 6.099 0.507 -9.703) 11.471 3.366 ( 3.569 13.087 -8.169) 15.835 3.554 ( 0.067 3.485 4.943) 6.048 3.926 ( 8.632 12.558 -2.160) 15.391 4.874 ( -3.403 -7.088 -8.596) 11.650 5.991 ( -5.850 -10.393 5.073) 12.960 7.540 ( -0.442 -1.097 0.396) 1.247 10.490 ( 30.668 35.896 -34.178) 58.286 12.535 ( -20.563 -20.466 0.030) 29.012======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 5.489 14.830 12.861) 20.382 1.504 ( 8.299 23.788 7.042) 26.160 2.704 ( 25.280 21.322 5.169) 33.473 3.181 ( 6.488 2.860 -8.960) 11.427 3.577 ( 8.545 10.876 -3.085) 14.172 3.623 ( 1.605 5.602 3.283) 6.688 4.199 ( 9.944 9.782 -0.351) 13.953 4.788 ( 0.845 -0.652 -8.652) 8.718 5.775 ( -8.558 -9.913 2.571) 13.346 7.535 ( 0.129 0.856 0.404) 0.955 10.960 ( 7.551 -6.532 1.232) 10.060 12.023 ( -14.623 -2.701 -18.478) 23.718======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 11.227 15.558 4.010) 19.601 1.916 ( 10.287 21.666 4.288) 24.364 3.256 ( 12.155 6.970 -5.016) 14.882 3.325 ( 13.695 10.959 -7.733) 19.170 3.713 ( 1.049 7.770 4.404) 8.993 3.877 ( 12.868 9.412 1.408) 16.004 4.447 ( 8.814 6.665 0.553) 11.064 4.831 ( 5.548 2.659 -5.590) 8.313 5.527 ( -9.422 -8.775 1.182) 12.930 7.576 ( 1.714 4.253 0.397) 4.603 10.576 ( -27.758 -25.696 12.357) 39.793 11.975 ( 7.737 5.947 -20.033) 22.284======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 16.282 15.715 -1.174) 22.660 2.301 ( 9.168 18.819 2.230) 21.052 3.371 ( 3.784 4.094 -7.951) 9.711 3.651 ( 10.951 4.520 -5.208) 12.941 3.836 ( 1.685 10.316 -1.507) 10.561 4.207 ( 12.740 8.387 6.312) 16.507 4.629 ( 5.958 2.944 1.091) 6.734 4.975 ( 7.014 2.617 -1.474) 7.630 5.320 ( -4.644 -4.492 -0.117) 6.463 7.681 ( 2.988 8.061 0.423) 8.607 9.790 ( -35.439 -23.065 7.125) 42.880 12.111 ( 8.912 -0.378 -10.059) 13.444======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( 14.446 14.511 -0.138) 20.476 2.622 ( 11.107 15.800 -2.645) 19.493 3.436 ( 2.381 3.111 -7.585) 8.537 3.794 ( 3.891 2.838 -0.803) 4.883 3.927 ( -0.939 7.249 -5.635) 9.229 4.493 ( 9.333 5.534 5.097) 11.988 4.709 ( 1.354 -1.160 2.963) 3.458 5.001 ( -2.114 -1.415 -0.845) 2.681 5.384 ( 10.360 2.712 0.737) 10.734 7.828 ( 2.447 10.796 0.501) 11.081 9.001 ( -33.030 -16.960 3.848) 37.329 12.202 ( 7.484 -4.734 -4.538) 9.951======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.814 ( 2.084 11.218 1.890) 11.565 3.069 ( 19.799 12.939 -6.414) 24.506 3.463 ( 0.789 1.417 -7.482) 7.656 3.851 ( -0.655 2.720 -4.028) 4.905 3.909 ( -5.618 4.365 0.155) 7.116 4.629 ( 0.479 -0.036 1.012) 1.120 4.701 ( 0.384 -1.799 3.925) 4.334 4.982 ( 0.998 0.621 0.163) 1.187 5.593 ( 9.363 0.463 2.770) 9.775 7.966 ( 0.224 11.187 0.668) 11.209 8.388 ( -23.307 -7.508 2.071) 24.573 12.256 ( 6.826 -6.934 -1.752) 9.886======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.906 ( -2.912 6.917 2.472) 7.901 3.408 ( 1.040 -2.657 -3.942) 4.866 3.506 ( 13.914 9.241 -10.015) 19.476 3.735 ( -10.975 3.210 -6.155) 12.986 3.901 ( -2.633 3.873 3.947) 6.125 4.577 ( -3.303 -2.358 -1.229) 4.240 4.680 ( -2.343 -2.574 2.612) 4.352 5.025 ( 1.866 0.534 2.112) 2.868 5.701 ( 3.336 -3.598 3.773) 6.189 8.066 ( 0.861 -4.516 1.993) 5.011 8.090 ( -10.944 17.943 -0.188) 21.018 12.297 ( 6.840 -7.616 -0.303) 10.241======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( -8.845 2.254 3.477) 9.768 3.229 ( -10.903 -10.832 -1.921) 15.488 3.552 ( -10.632 8.334 -4.705) 14.305 3.823 ( 8.925 3.345 -5.047) 10.785 3.912 ( 1.660 6.141 -3.598) 7.308 4.456 ( -6.095 -4.569 -4.169) 8.684 4.608 ( -4.379 -2.062 6.257) 7.911 5.049 ( 0.181 -0.651 1.655) 1.787 5.658 ( -3.327 -6.898 3.584) 8.456 7.954 ( -8.967 3.680 0.486) 9.705 8.328 ( 13.091 16.231 0.411) 20.857 12.342 ( 7.025 -7.283 0.453) 10.129======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.663 ( -15.060 -3.211 4.442) 16.026 2.860 ( -18.169 -9.776 1.654) 20.698 3.460 ( -7.562 7.283 -6.773) 12.494 3.818 ( -4.950 0.166 3.811) 6.249 4.061 ( 2.932 2.335 -13.707) 14.211 4.269 ( -6.271 -3.521 -3.592) 8.038 4.528 ( -4.734 -2.829 9.016) 10.569 5.031 ( -1.278 -1.432 -0.003) 1.919 5.503 ( -6.031 -6.937 2.627) 9.560 7.818 ( -10.028 2.280 0.313) 10.289 8.847 ( 25.020 19.201 -0.238) 31.539 12.396 ( 6.890 -6.458 0.485) 9.456======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( -19.881 -10.445 5.595) 23.144 2.453 ( -21.533 -4.372 3.327) 22.223 3.379 ( -6.576 4.855 -7.229) 10.911 3.692 ( -10.557 -6.391 -0.303) 12.345 3.844 ( -16.876 -0.266 0.490) 16.885 4.189 ( -3.512 -2.721 -11.363) 12.201 4.463 ( -3.090 -3.063 9.455) 10.408 4.975 ( -2.587 -2.084 -2.562) 4.195 5.406 ( 1.014 -1.642 1.844) 2.669 7.672 ( -8.180 0.787 0.248) 8.222 9.523 ( 29.950 18.789 -0.421) 35.358 12.449 ( 6.055 -5.684 -0.881) 8.352======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 0.000 20.133 13.723) 24.365 1.436 ( 0.000 20.249 13.642) 24.415 2.147 ( 0.000 32.695 14.884) 35.923 2.997 ( -0.000 1.345 -10.033) 10.123 3.454 ( -0.000 14.147 -7.511) 16.017 3.601 ( 0.000 3.461 4.048) 5.326 3.995 ( -0.000 15.658 -0.343) 15.661 4.799 ( -0.000 -5.449 -10.799) 12.096 5.939 ( 0.000 -12.596 4.345) 13.324 7.531 ( 0.000 -1.146 0.323) 1.191 10.486 ( -0.000 28.147 -21.059) 35.153 12.501 ( -0.000 -19.106 -5.969) 20.017======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( -0.356 18.494 11.429) 21.743 1.697 ( 2.445 23.055 9.664) 25.117 2.628 ( 12.690 28.871 4.683) 31.882 3.052 ( 7.100 2.459 -8.708) 11.502 3.593 ( 2.791 13.310 -5.047) 14.506 3.665 ( 1.518 4.823 3.835) 6.347 4.193 ( 4.387 14.117 1.219) 14.833 4.736 ( 0.687 -0.542 -10.513) 10.549 5.784 ( -4.339 -12.343 2.689) 13.357 7.534 ( 0.914 0.510 0.397) 1.120 10.716 ( 10.589 -3.402 -1.018) 11.169 12.197 ( -13.101 -5.859 -15.580) 21.183======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 2.475 18.321 6.063) 19.456 2.037 ( 6.065 23.865 6.553) 25.481 3.111 ( 13.870 18.367 -4.630) 23.477 3.204 ( 8.874 5.014 -8.695) 13.398 3.761 ( 3.814 6.539 0.491) 7.586 3.819 ( 6.927 13.073 4.188) 15.376 4.408 ( 5.210 10.471 1.933) 11.855 4.755 ( 3.655 2.714 -7.674) 8.923 5.574 ( -6.784 -10.779 1.251) 12.797 7.587 ( 2.552 4.389 0.625) 5.116 10.625 ( -5.721 -29.204 11.235) 31.810 11.964 ( -6.261 7.413 -19.960) 22.193======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( 8.236 18.287 1.288) 20.097 2.399 ( 6.235 22.606 4.727) 23.921 3.315 ( 4.685 5.016 -9.070) 11.374 3.493 ( 12.794 10.003 -7.631) 17.944 3.898 ( 3.330 8.120 0.108) 8.778 4.124 ( 10.097 12.158 6.604) 17.128 4.580 ( 4.190 5.708 2.130) 7.394 4.865 ( 7.196 3.351 -3.606) 8.718 5.363 ( -6.539 -7.302 -0.040) 9.802 7.717 ( 3.968 9.384 0.940) 10.232 10.084 ( -23.101 -28.949 7.748) 37.839 11.954 ( 3.264 1.689 -12.045) 12.593======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 13.328 17.396 -1.318) 21.955 2.717 ( 3.961 20.023 3.405) 20.693 3.392 ( 3.155 3.043 -9.323) 10.302 3.731 ( 7.450 6.997 -5.015) 11.384 4.023 ( 0.428 9.550 -0.945) 9.606 4.412 ( 8.831 7.611 4.736) 12.583 4.674 ( 2.162 0.491 2.848) 3.609 4.992 ( 3.149 0.198 -0.806) 3.257 5.264 ( 2.998 -0.966 -0.379) 3.173 7.901 ( 3.584 12.186 1.386) 12.777 9.395 ( -28.971 -18.264 3.287) 34.405 11.988 ( 6.593 -7.001 -5.603) 11.130======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.878 ( 15.924 14.999 -3.103) 22.095 2.949 ( 0.416 16.612 2.707) 16.836 3.426 ( 1.804 0.770 -8.530) 8.752 3.869 ( 2.570 6.450 -3.739) 7.886 4.080 ( -4.912 9.694 0.133) 10.868 4.591 ( 4.728 1.910 0.641) 5.139 4.688 ( 0.022 -2.577 3.677) 4.490 4.987 ( -0.919 0.706 -0.317) 1.201 5.414 ( 11.119 -1.032 2.131) 11.368 8.044 ( 0.463 4.880 2.082) 5.326 8.821 ( -26.137 2.490 0.450) 26.260 12.006 ( 8.590 -12.749 -2.284) 15.542======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( -3.791 12.401 2.356) 13.180 3.271 ( 14.796 10.136 -3.422) 18.259 3.411 ( 0.189 -0.973 -8.719) 8.775 3.920 ( -3.745 7.424 -5.109) 9.759 4.058 ( -7.844 8.411 4.147) 12.226 4.597 ( -2.304 -2.545 -3.322) 4.777 4.680 ( 0.388 -1.869 3.105) 3.645 5.005 ( 1.421 0.745 1.742) 2.368 5.568 ( 8.155 -4.966 3.680) 10.233 8.003 ( -0.961 -8.486 2.098) 8.795 8.597 ( -19.079 27.120 -0.556) 33.163 12.025 ( 10.532 -15.323 -0.742) 18.608======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( -8.749 7.210 2.495) 11.608 3.281 ( -6.233 -5.459 -3.745) 9.092 3.620 ( 14.130 7.346 -8.294) 17.956 3.846 ( -11.854 9.772 -4.056) 15.889 4.034 ( -5.574 6.499 4.216) 9.543 4.485 ( -4.364 -4.420 -4.701) 7.789 4.666 ( -1.942 -0.901 4.000) 4.537 5.036 ( 1.043 -0.696 1.711) 2.122 5.603 ( 2.123 -8.293 3.718) 9.333 7.971 ( 4.806 -5.131 1.628) 7.216 8.596 ( -14.430 30.150 -0.559) 33.430 12.066 ( 11.917 -14.914 -0.149) 19.091======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.913 ( -14.583 -1.473 2.345) 14.843 3.056 ( -12.770 -3.052 -1.047) 13.171 3.715 ( -11.876 9.069 -4.271) 15.542 3.857 ( 6.546 3.918 -6.286) 9.885 4.009 ( -3.084 4.864 -1.441) 5.937 4.346 ( -5.668 -3.061 -2.260) 6.826 4.613 ( -4.688 -1.763 6.153) 7.934 5.033 ( -0.527 -1.514 0.442) 1.663 5.512 ( -2.978 -9.046 2.467) 9.838 7.990 ( -3.111 -0.098 1.451) 3.434 8.766 ( 4.850 24.743 -0.519) 25.220 12.137 ( 12.005 -12.403 -0.364) 17.265======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( -19.444 -7.275 2.531) 20.914 2.778 ( -18.050 -0.287 0.989) 18.079 3.583 ( -11.024 6.800 -4.291) 13.645 3.809 ( -8.248 -1.746 -1.924) 8.647 4.044 ( -1.604 4.190 -10.198) 11.141 4.219 ( -7.435 0.286 0.217) 7.443 4.519 ( -4.338 -4.337 9.800) 11.561 4.991 ( -2.228 -1.686 -1.575) 3.207 5.387 ( -1.874 -5.362 1.019) 5.771 7.865 ( -11.007 1.545 1.071) 11.166 9.236 ( 22.853 17.650 0.463) 28.879 12.223 ( 10.520 -9.158 -1.911) 14.078======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 0.000 19.550 7.367) 20.892 1.907 ( 0.000 19.639 8.224) 21.291 2.851 ( -0.000 30.785 1.275) 30.811 2.976 ( -0.000 2.494 -8.423) 8.784 3.690 ( -0.000 13.054 -3.196) 13.440 3.701 ( 0.000 4.199 2.976) 5.147 4.319 ( -0.000 15.659 3.011) 15.945 4.701 ( -0.000 2.231 -10.460) 10.695 5.701 ( 0.000 -12.704 2.041) 12.867 7.529 ( -0.000 1.044 0.234) 1.069 10.549 ( 0.000 -15.987 6.398) 17.220 12.222 ( -0.000 -0.073 -18.227) 18.227======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( -1.421 18.915 3.317) 19.256 2.173 ( 5.507 19.627 5.776) 21.188 3.058 ( 8.496 4.652 -7.394) 12.186 3.158 ( 3.612 21.532 -6.070) 22.661 3.769 ( 2.070 5.285 1.311) 5.825 3.862 ( 4.768 13.228 3.351) 14.455 4.491 ( 1.016 13.538 3.754) 14.086 4.721 ( 1.494 5.153 -8.145) 9.754 5.556 ( -3.333 -10.864 0.836) 11.394 7.577 ( 3.132 3.730 0.374) 4.885 10.366 ( 1.645 -31.716 10.550) 33.465 12.121 ( -7.831 6.895 -17.554) 20.421======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 1.903 18.599 -0.027) 18.696 2.509 ( 8.010 19.243 4.995) 21.434 3.244 ( 7.673 4.869 -8.994) 12.786 3.389 ( 7.624 13.282 -7.576) 17.086 3.886 ( 4.788 5.452 1.626) 7.436 4.125 ( 7.536 12.978 5.484) 15.978 4.631 ( 0.319 9.122 3.728) 9.860 4.799 ( 3.279 5.836 -4.618) 8.133 5.391 ( -4.994 -6.733 -0.621) 8.406 7.721 ( 6.193 8.400 0.843) 10.470 10.021 ( -5.498 -35.873 8.213) 37.210 12.000 ( -7.747 5.600 -12.216) 15.511======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( 7.276 18.100 -1.014) 19.535 2.840 ( 6.569 17.870 4.518) 19.568 3.340 ( 2.979 3.747 -10.321) 11.377 3.647 ( 9.842 9.598 -5.118) 14.669 4.049 ( 5.904 6.695 2.134) 9.178 4.375 ( 6.748 8.238 3.020) 11.069 4.699 ( -1.331 3.532 4.189) 5.639 4.915 ( 5.292 3.693 -1.595) 6.647 5.266 ( -3.857 -1.155 -1.667) 4.358 7.941 ( 6.045 10.992 1.608) 12.647 9.560 ( -12.208 -25.695 3.672) 28.683 11.883 ( -4.121 -2.714 -6.507) 8.166======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 10.959 16.043 -1.483) 19.485 3.108 ( 3.064 15.795 4.039) 16.588 3.376 ( 1.630 1.730 -8.743) 9.060 3.859 ( 5.888 8.284 -3.900) 10.886 4.215 ( 2.381 9.207 2.080) 9.735 4.531 ( 4.580 2.587 -0.223) 5.265 4.692 ( -1.849 -0.816 3.768) 4.276 5.010 ( 1.214 2.470 -0.061) 2.753 5.253 ( 4.267 -0.526 -0.152) 4.302 8.076 ( -0.555 0.419 2.423) 2.521 9.211 ( -12.052 2.171 0.134) 12.247 11.763 ( 1.037 -12.614 -2.833) 12.970======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.127 ( 11.218 11.550 -2.652) 16.318 3.283 ( -0.533 12.881 3.487) 13.355 3.376 ( -0.255 0.822 -6.657) 6.713 3.994 ( 1.846 7.664 -2.997) 8.433 4.299 ( -5.191 10.124 3.340) 11.857 4.581 ( 0.242 -0.886 -4.194) 4.293 4.667 ( 0.078 -1.188 2.599) 2.858 5.020 ( -1.524 1.994 0.697) 2.605 5.362 ( 9.604 -5.695 2.694) 11.485 7.952 ( -4.311 -11.648 1.889) 12.563 9.188 ( -12.793 30.120 -0.731) 32.732 11.664 ( 7.904 -20.407 -0.997) 21.907======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.267 ( -3.788 1.607 -0.530) 4.149 3.345 ( -4.795 5.106 -3.142) 7.677 3.463 ( 9.575 8.661 -2.623) 13.175 4.055 ( -2.977 7.844 -2.735) 8.825 4.269 ( -9.623 8.044 5.661) 13.760 4.499 ( -4.052 -3.220 -5.746) 7.733 4.690 ( 0.177 1.790 1.284) 2.210 5.019 ( 0.262 -0.511 1.198) 1.328 5.446 ( 6.973 -9.215 3.438) 12.057 7.828 ( 2.925 -8.490 1.303) 9.073 9.244 ( -20.033 35.001 -0.631) 40.333 11.644 ( 14.805 -21.882 -0.363) 26.422======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( -11.067 -2.797 -0.701) 11.436 3.263 ( -10.368 4.636 -0.079) 11.357 3.684 ( 9.493 3.802 -7.305) 12.567 4.024 ( -8.958 8.962 -1.357) 12.744 4.176 ( -9.288 2.717 3.291) 10.222 4.392 ( -3.488 -0.338 -1.901) 3.987 4.688 ( -3.118 0.828 2.092) 3.845 5.021 ( 0.454 -1.245 0.528) 1.427 5.435 ( 1.916 -9.714 2.213) 10.145 7.893 ( 9.248 -3.412 1.576) 9.983 9.188 ( -20.026 26.463 -0.712) 33.194 11.737 ( 17.529 -16.011 -0.643) 23.749======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.841 ( -17.210 -3.204 0.034) 17.506 3.073 ( -14.996 1.183 0.586) 15.054 3.750 ( -2.445 -0.121 -9.265) 9.583 3.952 ( -8.922 5.359 -2.865) 10.795 4.067 ( -2.982 3.019 -0.145) 4.246 4.362 ( -3.527 4.247 3.309) 6.436 4.597 ( -6.740 -3.985 5.084) 9.335 5.007 ( -1.186 -0.464 -0.719) 1.462 5.358 ( -0.995 -6.300 0.138) 6.379 7.991 ( 0.543 -0.620 2.090) 2.247 9.178 ( -0.682 13.312 -0.226) 13.331 11.904 ( 15.408 -7.965 -2.037) 17.464======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( -0.000 18.419 -1.009) 18.447 2.314 ( -0.000 17.325 2.652) 17.527 2.993 ( -0.000 3.391 -4.663) 5.766 3.315 ( -0.000 17.398 -9.162) 19.663 3.801 ( 0.000 4.151 1.867) 4.552 3.970 ( 0.000 14.487 5.665) 15.555 4.623 ( -0.000 10.527 2.552) 10.832 4.764 ( -0.000 10.094 -4.698) 11.134 5.487 ( 0.000 -8.194 -0.236) 8.197 7.582 ( -0.000 4.141 0.135) 4.144 10.044 ( 0.000 -36.388 10.300) 37.818 12.213 ( -0.000 7.334 -14.604) 16.342======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.374 ( -1.049 17.465 -4.417) 18.045 2.554 ( 7.212 15.979 1.912) 17.635 3.103 ( 8.777 3.925 -4.598) 10.658 3.432 ( 1.037 11.095 -7.663) 13.524 3.872 ( 2.944 4.260 1.517) 5.396 4.168 ( 3.812 12.438 6.722) 14.643 4.710 ( 0.490 5.781 0.043) 5.802 4.864 ( -0.908 10.903 -0.011) 10.941 5.406 ( -2.638 -2.044 -1.675) 3.734 7.686 ( 6.044 6.806 0.308) 9.108 9.700 ( 0.222 -38.678 7.974) 39.492 12.174 ( -7.505 6.283 -10.458) 14.324======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.548 ( 3.150 17.120 -3.651) 17.787 2.864 ( 9.546 13.833 2.850) 17.047 3.268 ( 6.759 3.235 -8.924) 11.653 3.576 ( 6.946 9.021 -2.488) 11.654 4.002 ( 6.218 4.831 2.252) 8.189 4.358 ( 4.448 6.542 4.824) 9.266 4.754 ( -0.207 1.738 0.964) 1.998 4.935 ( -0.906 7.021 0.197) 7.082 5.352 ( -4.760 5.102 -2.387) 7.374 7.916 ( 9.206 9.788 0.926) 13.469 9.351 ( 0.647 -33.726 4.338) 34.010 12.020 ( -11.978 2.256 -6.308) 13.724======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( 7.045 15.818 -1.633) 17.393 3.148 ( 7.581 9.926 3.223) 12.899 3.348 ( 3.045 3.615 -8.108) 9.385 3.806 ( 8.668 8.426 -2.332) 12.311 4.196 ( 8.363 6.059 3.669) 10.960 4.476 ( 3.902 0.829 2.057) 4.488 4.739 ( -2.188 -0.820 1.084) 2.576 4.995 ( 1.883 3.546 0.389) 4.034 5.311 ( -6.416 6.514 -2.141) 9.391 8.090 ( 0.176 0.276 1.842) 1.871 9.192 ( 9.511 -9.974 0.864) 13.809 11.772 ( -13.074 -4.933 -3.181) 14.331======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.073 ( 8.331 12.230 -0.616) 14.810 3.298 ( 2.850 1.402 -1.929) 3.716 3.447 ( 2.415 9.587 -0.829) 9.921 3.998 ( 5.159 7.452 -2.647) 9.442 4.388 ( 3.888 3.612 6.268) 8.213 4.553 ( 4.556 2.874 -3.379) 6.359 4.683 ( -2.753 -1.220 0.530) 3.058 5.064 ( 2.377 0.859 1.492) 2.936 5.244 ( -4.242 0.597 -0.977) 4.394 7.939 ( -7.281 -11.885 1.344) 14.003 9.479 ( 12.563 20.652 -0.230) 24.174 11.462 ( -9.458 -15.646 -1.273) 18.327======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.279 ( 2.408 2.539 0.377) 3.520 3.342 ( 4.885 4.854 -5.164) 8.607 3.552 ( -2.017 8.329 2.262) 8.863 4.119 ( 1.984 6.117 -1.785) 6.674 4.415 ( -1.615 -3.290 4.194) 5.570 4.574 ( -5.245 2.682 -2.610) 6.443 4.723 ( 2.335 8.518 -1.005) 8.889 5.054 ( -4.674 0.984 -0.297) 4.786 5.223 ( 7.197 -9.760 2.569) 12.396 7.735 ( -2.398 -9.173 0.717) 9.508 9.867 ( -5.396 36.071 -0.359) 36.474 11.181 ( 5.334 -27.495 -0.370) 28.010======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.244 ( -5.302 -0.126 -0.337) 5.314 3.449 ( -2.755 4.750 -3.902) 6.737 3.583 ( 2.134 3.008 0.370) 3.706 4.178 ( -1.358 4.944 -0.032) 5.127 4.311 ( -6.080 -4.333 -1.256) 7.571 4.505 ( -5.793 3.370 3.413) 7.521 4.784 ( -5.162 6.974 -1.828) 8.867 5.002 ( 0.277 -1.109 0.194) 1.159 5.265 ( 7.237 -9.547 1.756) 12.108 7.710 ( 6.599 -3.607 0.814) 7.565 9.867 ( -28.172 22.843 -0.353) 36.271 11.210 ( 23.784 -17.286 -0.504) 29.406======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( -12.706 1.011 -0.014) 12.746 3.314 ( -12.031 -0.595 -0.003) 12.045 3.677 ( 5.036 0.825 -8.218) 9.674 4.127 ( -8.709 -1.966 -2.262) 9.211 4.184 ( -3.887 2.673 3.268) 5.739 4.470 ( -3.773 3.714 5.539) 7.662 4.695 ( -6.818 -1.658 -0.397) 7.028 5.015 ( 0.208 0.574 0.394) 0.727 5.290 ( 3.108 -3.483 -0.900) 4.754 7.863 ( 11.134 -0.484 1.638) 11.264 9.492 ( -23.984 0.676 -0.289) 23.996 11.533 ( 21.176 -0.451 -1.558) 21.238======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( -0.000 16.615 -7.907) 18.400 2.624 ( -0.000 13.587 -2.849) 13.882 3.053 ( -0.000 3.699 0.979) 3.827 3.491 ( -0.000 6.869 -4.915) 8.447 3.885 ( -0.000 3.334 0.727) 3.412 4.279 ( 0.000 10.523 7.330) 12.824 4.750 ( -0.000 3.809 -1.011) 3.941 4.973 ( -0.000 7.024 1.216) 7.129 5.446 ( -0.000 6.860 -2.337) 7.248 7.689 ( -0.000 6.139 0.060) 6.139 9.333 ( 0.000 -38.156 6.529) 38.711 12.274 ( -0.000 5.336 -7.807) 9.456======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.662 ( 0.384 15.356 -6.822) 16.808 2.833 ( 8.615 12.117 -2.696) 15.110 3.154 ( 6.056 2.814 -0.577) 6.703 3.560 ( 2.969 4.967 -0.273) 5.794 3.954 ( 4.153 3.133 0.510) 5.227 4.395 ( 0.855 5.677 6.499) 8.672 4.773 ( -0.355 1.298 -0.361) 1.393 5.013 ( -1.134 3.876 -0.483) 4.068 5.510 ( -3.560 12.092 -2.130) 12.784 7.838 ( 9.141 7.731 0.194) 11.974 8.990 ( 1.172 -34.735 4.075) 34.993 12.223 ( -8.594 3.492 -5.018) 10.546======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( 4.576 14.499 -2.760) 15.452 3.102 ( 9.434 9.070 0.691) 13.105 3.266 ( 5.435 1.189 -5.032) 7.502 3.717 ( 8.961 5.120 1.690) 10.458 4.099 ( 8.601 3.527 0.959) 9.346 4.453 ( 0.371 0.214 5.304) 5.321 4.759 ( -1.422 -0.471 -0.389) 1.548 5.027 ( -0.922 3.162 -1.174) 3.497 5.525 ( -7.585 10.760 -2.097) 13.331 8.076 ( 4.951 3.876 0.747) 6.332 8.798 ( 14.192 -21.214 1.405) 25.562 12.017 ( -16.027 0.616 -2.707) 16.266======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.069 ( 6.182 11.684 0.506) 13.228 3.264 ( 2.164 1.357 0.948) 2.725 3.404 ( 9.548 4.882 -3.772) 11.368 3.941 ( 9.050 5.653 -0.264) 10.674 4.324 ( 10.892 4.107 2.996) 12.020 4.458 ( 2.102 -3.681 2.483) 4.913 4.717 ( -2.368 -0.752 -0.997) 2.677 5.037 ( -0.069 0.872 -0.269) 0.916 5.443 ( -10.991 6.510 -2.144) 12.953 7.974 ( -8.596 -9.310 0.517) 12.682 9.171 ( 32.908 4.121 0.299) 33.167 11.667 ( -21.967 -3.638 -1.134) 22.295======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.264 ( 3.843 4.466 2.702) 6.482 3.301 ( 3.130 2.767 -1.797) 4.548 3.583 ( 5.759 3.421 -0.801) 6.746 4.116 ( 4.811 5.504 -1.633) 7.490 4.389 ( -0.365 -5.487 5.547) 7.811 4.607 ( 5.890 1.042 -4.990) 7.790 4.699 ( 5.431 3.923 1.844) 6.949 5.038 ( 1.374 -3.255 1.245) 3.746 5.269 ( -12.959 1.952 -1.914) 13.244 7.742 ( -7.286 -6.355 -0.001) 9.668 9.861 ( 34.357 13.219 0.204) 36.813 11.179 ( -26.498 -9.338 -0.270) 28.096======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.296 ( 0.075 0.409 0.252) 0.486 3.431 ( 4.379 4.287 -0.571) 6.155 3.633 ( -1.434 -1.290 0.437) 1.978 4.206 ( 1.256 3.179 -0.956) 3.549 4.330 ( -1.616 -5.343 1.186) 5.707 4.589 ( -1.771 0.138 -0.399) 1.821 4.946 ( 6.868 11.098 -0.461) 13.059 5.015 ( -1.328 -10.627 1.244) 10.781 5.057 ( -5.162 -0.437 -0.731) 5.232 7.634 ( -0.658 -0.738 0.000) 0.989 10.569 ( -22.217 -24.385 0.000) 32.988 10.575 ( 22.973 25.226 -0.000) 34.119======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.277 ( -5.017 2.938 0.900) 5.883 3.455 ( -6.092 -3.671 -1.351) 7.240 3.587 ( 2.674 -0.180 -2.422) 3.612 4.209 ( -4.635 -3.298 -1.950) 6.013 4.234 ( -1.471 -1.853 2.249) 3.265 4.572 ( -1.998 1.292 3.180) 3.971 4.799 ( -8.571 -5.229 -1.512) 10.154 5.015 ( -0.035 -0.848 1.340) 1.586 5.192 ( 7.742 5.719 -1.290) 9.711 7.702 ( 7.042 2.386 0.533) 7.454 9.876 ( -28.115 -22.126 -0.002) 35.778 11.206 ( 23.021 17.610 -0.650) 28.991======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.804 ( -0.000 15.003 -7.220) 16.650 2.823 ( -0.000 9.323 -5.811) 10.986 3.141 ( 0.000 2.566 5.450) 6.024 3.570 ( 0.000 1.973 2.082) 2.869 3.940 ( -0.000 1.990 -0.410) 2.032 4.457 ( 0.000 2.952 6.353) 7.005 4.786 ( -0.000 0.693 -0.465) 0.834 5.051 ( -0.000 2.984 -1.847) 3.509 5.667 ( -0.000 12.951 -2.102) 13.120 7.810 ( -0.000 5.484 0.022) 5.484 8.670 ( 0.000 -29.640 2.587) 29.752 12.320 ( -0.000 2.980 -3.317) 4.460======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.906 ( 2.544 11.251 -2.539) 11.811 3.014 ( 8.420 9.833 -5.253) 13.970 3.207 ( 2.662 1.005 4.634) 5.438 3.628 ( 5.015 0.379 3.549) 6.156 4.000 ( 5.179 1.465 -0.857) 5.451 4.481 ( -0.923 -0.460 5.543) 5.638 4.780 ( -1.084 0.224 -0.772) 1.350 5.067 ( -0.767 2.722 -2.137) 3.545 5.734 ( -4.793 9.557 -2.477) 10.975 7.980 ( 11.684 6.154 0.011) 13.205 8.419 ( 2.307 -22.810 0.903) 22.944 12.255 ( -9.582 1.996 -1.714) 9.937======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.081 ( 5.499 8.545 1.706) 10.304 3.244 ( 8.079 1.234 -3.300) 8.813 3.259 ( 3.267 4.593 2.842) 6.313 3.791 ( 11.702 0.591 2.987) 12.091 4.144 ( 10.559 0.848 -1.455) 10.692 4.452 ( -2.132 -3.096 4.884) 6.164 4.749 ( -2.085 -0.067 -1.282) 2.449 5.064 ( -1.368 1.552 -1.641) 2.640 5.675 ( -9.184 4.777 -2.713) 10.702 8.045 ( -7.316 -4.598 -0.482) 8.654 8.582 ( 32.556 -2.770 0.364) 32.675 12.020 ( -18.628 0.968 -0.492) 18.659======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.236 ( 2.389 -1.624 3.961) 4.902 3.274 ( 4.938 2.911 0.876) 5.799 3.466 ( 8.366 4.104 -1.125) 9.386 4.017 ( 11.093 1.511 1.019) 11.241 4.356 ( 10.541 -4.866 -2.516) 11.880 4.392 ( 1.755 -1.226 4.160) 4.678 4.711 ( -1.470 0.661 -0.806) 1.802 5.039 ( -1.833 -0.088 -0.800) 2.002 5.505 ( -12.226 0.801 -2.383) 12.481 7.851 ( -9.417 -1.284 -0.934) 9.550 9.233 ( 40.419 0.122 0.465) 40.422 11.637 ( -26.318 1.408 0.274) 26.357======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.242 ( 3.319 -4.434 0.268) 5.546 3.410 ( 4.783 1.956 4.039) 6.558 3.587 ( 3.042 -0.465 -0.218) 3.085 4.185 ( 5.860 1.892 -1.330) 6.300 4.286 ( -1.278 -7.258 3.360) 8.100 4.549 ( 6.289 -2.507 -5.288) 8.590 4.763 ( 7.859 -0.774 2.488) 8.280 5.004 ( -1.245 0.198 -0.308) 1.298 5.279 ( -12.538 0.413 -1.246) 12.606 7.718 ( -6.787 4.223 -0.924) 8.047 9.864 ( 34.114 -12.963 0.310) 36.496 11.204 ( -26.804 11.570 0.705) 29.203======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.930 ( -0.000 5.028 -5.478) 7.436 3.070 ( -0.000 13.452 2.066) 13.610 3.207 ( 0.000 -0.126 7.084) 7.085 3.581 ( 0.000 -3.006 3.064) 4.293 3.958 ( -0.000 0.417 -1.500) 1.557 4.494 ( 0.000 -2.018 4.563) 4.989 4.789 ( -0.000 0.070 -1.176) 1.178 5.091 ( -0.000 2.070 -2.238) 3.048 5.844 ( -0.000 5.415 -3.058) 6.219 7.890 ( -0.000 2.180 0.010) 2.180 8.242 ( 0.000 -12.474 -0.550) 12.486 12.356 ( -0.000 1.983 -0.633) 2.082======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.009 ( 6.314 1.680 -4.192) 7.762 3.200 ( 0.535 1.636 6.942) 7.152 3.277 ( 3.677 7.811 6.338) 10.710 3.607 ( 7.290 -4.116 2.117) 8.635 4.000 ( 5.381 -0.455 -2.181) 5.824 4.468 ( -1.438 -3.404 3.669) 5.207 4.771 ( -1.192 -0.578 -1.928) 2.339 5.092 ( -0.890 0.937 -1.900) 2.298 5.818 ( -5.108 0.457 -3.272) 6.083 8.084 ( 20.488 0.129 0.156) 20.489 8.125 ( -4.765 -1.823 -1.581) 5.341 12.287 ( -10.043 1.824 0.270) 10.211======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.130 ( 8.894 -3.479 -3.165) 10.060 3.185 ( 0.413 -6.351 5.707) 8.549 3.465 ( 3.037 10.506 7.391) 13.200 3.779 ( 14.831 -3.069 2.307) 15.320 4.111 ( 9.571 -2.464 -3.218) 10.393 4.406 ( -2.236 -3.869 2.964) 5.362 4.732 ( -1.345 -0.749 -2.488) 2.926 5.067 ( -1.685 -0.323 -1.336) 2.175 5.669 ( -8.819 -3.368 -2.803) 9.848 8.007 ( -7.200 1.899 -1.989) 7.708 8.585 ( 32.942 2.517 0.484) 33.042 12.055 ( -18.881 2.440 0.882) 19.058======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.113 ( 2.966 -10.577 1.147) 11.045 3.261 ( 9.216 -5.825 0.218) 10.905 3.611 ( 0.442 7.173 7.727) 10.553 4.011 ( 13.103 -2.716 1.408) 13.455 4.201 ( 5.101 -7.990 -1.983) 9.685 4.387 ( 4.325 -0.531 -0.793) 4.429 4.706 ( 0.528 -1.360 -1.703) 2.243 5.026 ( -1.579 -0.711 -0.554) 1.819 5.453 ( -9.956 -4.078 -1.538) 10.869 7.910 ( -7.904 6.653 -2.023) 10.527 9.181 ( 33.034 -4.145 0.684) 33.300 11.727 ( -22.627 6.757 1.263) 23.649======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.939 ( -0.000 -1.379 -4.955) 5.143 3.234 ( 0.000 -1.588 8.177) 8.330 3.309 ( 0.000 -1.367 12.891) 12.964 3.526 ( -0.000 3.114 0.205) 3.121 3.938 ( -0.000 -1.220 -2.523) 2.803 4.451 ( 0.000 -4.570 2.612) 5.264 4.761 ( -0.000 -1.700 -3.230) 3.650 5.098 ( -0.000 -0.175 -1.688) 1.697 5.833 ( -0.000 -4.261 -3.306) 5.393 7.890 ( 0.000 -2.219 -0.004) 2.219 8.196 ( -0.000 8.887 -2.415) 9.209 12.396 ( 0.000 1.938 0.928) 2.148======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( 5.564 -5.943 -4.591) 9.346 3.144 ( -3.530 -10.361 6.517) 12.739 3.435 ( 12.892 -4.675 9.039) 16.424 3.635 ( 1.241 10.389 6.822) 12.490 3.955 ( 4.779 -2.305 -3.025) 6.108 4.395 ( -1.018 -5.813 1.740) 6.153 4.721 ( -0.566 -2.406 -4.662) 5.277 5.078 ( -0.918 -1.331 -1.214) 2.022 5.721 ( -4.522 -7.614 -2.741) 9.270 7.966 ( 9.378 -6.232 -0.669) 11.280 8.350 ( 5.310 19.396 -1.794) 20.190 12.333 ( -9.872 2.206 1.370) 10.208======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.935 ( 3.610 -13.862 -1.789) 14.435 3.043 ( 5.668 -10.676 1.559) 12.188 3.653 ( 10.911 -2.974 9.011) 14.460 3.786 ( 4.662 5.891 6.535) 9.957 4.019 ( 6.418 -4.167 -2.276) 7.984 4.335 ( 0.807 -4.493 0.176) 4.568 4.669 ( -0.237 -3.437 -5.485) 6.477 5.037 ( -1.310 -2.026 -0.290) 2.430 5.532 ( -6.682 -7.876 -1.699) 10.468 8.007 ( 1.930 -3.027 -2.033) 4.126 8.763 ( 18.370 16.942 0.032) 24.990 12.127 ( -16.817 3.810 1.649) 17.322======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( -0.000 -9.636 -5.007) 10.859 3.085 ( 0.000 -19.423 2.458) 19.578 3.260 ( 0.000 -1.238 8.982) 9.067 3.782 ( 0.000 10.662 14.007) 17.604 3.878 ( -0.000 -2.825 -3.484) 4.485 4.334 ( 0.000 -8.569 0.887) 8.614 4.678 ( -0.000 -3.302 -6.898) 7.647 5.064 ( -0.000 -2.295 -0.740) 2.411 5.660 ( 0.000 -10.155 -2.217) 10.394 7.809 ( 0.000 -5.535 -0.027) 5.535 8.541 ( -0.000 26.100 -2.579) 26.227 12.445 ( 0.000 2.127 1.625) 2.677======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.709 ( 4.165 -14.283 -4.999) 15.695 2.863 ( -0.326 -18.962 1.026) 18.993 3.393 ( 11.842 -3.367 7.218) 14.271 3.842 ( 0.476 -3.054 0.925) 3.226 3.931 ( 2.484 3.876 10.949) 11.877 4.250 ( 0.959 -8.690 0.475) 8.755 4.614 ( -0.399 -4.103 -8.526) 9.470 5.030 ( -0.755 -2.926 0.297) 3.036 5.524 ( -3.147 -9.144 -1.646) 9.810 7.822 ( 7.388 -7.620 -0.472) 10.624 8.853 ( 3.728 31.001 -1.478) 31.259 12.390 ( -9.155 2.488 1.684) 9.635======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.499 ( -0.000 -16.603 -5.653) 17.539 2.645 ( 0.000 -23.846 -2.917) 24.023 3.293 ( 0.000 -1.425 9.368) 9.476 3.782 ( -0.000 -4.180 -4.373) 6.049 3.921 ( 0.000 -12.699 9.174) 15.666 4.188 ( 0.000 -2.976 8.119) 8.648 4.547 ( -0.000 -4.237 -9.935) 10.801 5.008 ( 0.000 -3.306 1.459) 3.613 5.463 ( 0.000 -6.283 -1.829) 6.544 7.686 ( 0.000 -6.202 -0.033) 6.202 9.153 ( -0.000 34.888 -0.895) 34.900 12.498 ( 0.000 2.111 1.307) 2.483======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( 0.000 -0.000 23.795) 23.795 0.742 ( 0.000 -0.000 23.795) 23.795 1.330 ( 0.000 -0.000 44.590) 44.590 3.033 ( -0.000 0.000 -9.992) 9.992 3.033 ( -0.000 0.000 -9.992) 9.992 3.505 ( 0.000 -0.000 5.123) 5.123 3.505 ( 0.000 -0.000 5.123) 5.123 5.407 ( -0.000 0.000 -29.887) 29.887 6.769 ( 0.000 -0.000 14.846) 14.846 7.574 ( 0.000 -0.000 0.454) 0.454 7.574 ( 0.000 -0.000 0.454) 0.454 13.318 ( 0.000 -0.000 0.250) 0.250======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 8.109 4.682 19.696) 21.808 1.050 ( 8.462 4.885 25.700) 27.495 1.688 ( 20.558 11.869 28.035) 36.735 3.053 ( 2.999 1.732 -9.742) 10.339 3.113 ( 9.089 5.248 -10.361) 14.749 3.527 ( 0.871 0.503 5.063) 5.162 3.707 ( 12.850 7.419 -0.606) 14.850 5.024 ( -14.564 -8.408 -14.568) 22.249 6.219 ( -15.670 -9.047 11.763) 21.581 7.562 ( -1.098 -0.634 0.443) 1.343 9.342 ( 83.524 48.223 -41.157) 104.860 12.967 ( -27.036 -15.609 4.449) 31.534======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 15.400 8.891 12.899) 21.968 1.279 ( 6.405 3.698 21.679) 22.905 2.342 ( 28.557 16.488 8.828) 34.137 3.107 ( 4.271 2.466 -9.406) 10.621 3.355 ( 13.745 7.936 -5.488) 16.794 3.575 ( 1.851 1.068 4.942) 5.384 4.014 ( 13.513 7.802 -1.391) 15.665 4.787 ( -3.373 -1.947 -11.403) 12.050 5.956 ( -11.473 -6.624 4.472) 13.982 7.537 ( -0.978 -0.565 0.346) 1.181 10.673 ( 42.727 24.668 -24.505) 55.087 12.258 ( -32.290 -18.642 -0.980) 37.298======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 11.288 6.517 10.517) 16.748 1.602 ( 17.427 10.062 8.084) 21.686 2.991 ( 25.898 14.952 -2.588) 30.016 3.186 ( 4.991 2.882 -8.926) 10.625 3.641 ( 2.475 1.429 4.847) 5.627 3.691 ( 15.541 8.973 0.820) 17.964 4.306 ( 11.838 6.835 -1.005) 13.706 4.762 ( 3.581 2.068 -8.182) 9.168 5.694 ( -11.993 -6.924 2.005) 13.992 7.533 ( 0.844 0.487 0.213) 0.997 11.033 ( -19.466 -11.239 14.126) 26.547 11.765 ( 5.266 3.040 -26.284) 26.978======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 16.838 9.721 2.179) 19.564 2.017 ( 16.395 9.466 4.851) 19.543 3.275 ( 4.950 2.858 -8.272) 10.054 3.482 ( 17.857 10.309 -9.922) 22.882 3.717 ( 2.652 1.531 4.763) 5.662 4.056 ( 14.777 8.531 5.685) 17.985 4.542 ( 8.780 5.069 -1.437) 10.240 4.889 ( 8.341 4.816 -3.233) 10.160 5.433 ( -10.269 -5.929 0.886) 11.891 7.584 ( 3.506 2.024 0.113) 4.050 10.283 ( -39.338 -22.712 9.078) 46.322 11.999 ( 12.657 7.308 -13.852) 20.137======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( 20.529 11.852 -2.519) 23.838 2.376 ( 13.416 7.746 2.866) 15.754 3.355 ( 4.057 2.342 -7.546) 8.882 3.748 ( 8.527 4.923 -11.679) 15.275 3.789 ( 2.260 1.305 4.584) 5.275 4.387 ( 11.716 6.764 5.948) 14.778 4.695 ( 4.548 2.626 -0.551) 5.281 5.025 ( 0.052 0.030 -0.298) 0.304 5.324 ( 4.230 2.442 0.920) 4.970 7.689 ( 5.289 3.054 0.064) 6.108 9.410 ( -37.093 -21.415 4.902) 43.111 12.191 ( 6.950 4.013 -5.998) 10.019======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( 9.317 5.379 2.087) 10.959 2.787 ( 21.574 12.456 -5.595) 25.531 3.408 ( 2.424 1.400 -7.045) 7.581 3.820 ( 0.878 0.507 -9.977) 10.029 3.846 ( 1.335 0.771 4.298) 4.566 4.604 ( 5.094 2.941 1.971) 6.203 4.739 ( -0.636 -0.367 2.562) 2.665 4.977 ( -0.628 -0.362 -0.179) 0.746 5.538 ( 9.923 5.729 2.875) 11.813 7.810 ( 4.768 2.753 0.033) 5.506 8.657 ( -28.100 -16.224 3.184) 32.603 12.297 ( 3.669 2.118 -2.390) 4.864======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.814 ( 4.379 2.528 2.442) 5.616 3.247 ( 19.803 11.433 -8.065) 24.247 3.420 ( 0.549 0.317 -7.184) 7.212 3.728 ( -6.433 -3.714 -7.364) 10.460 3.876 ( 0.074 0.043 4.044) 4.045 4.614 ( -2.739 -1.581 -1.375) 3.449 4.727 ( -1.578 -0.911 2.744) 3.294 5.012 ( 2.330 1.345 2.199) 3.475 5.724 ( 4.590 2.650 4.065) 6.680 7.890 ( 1.897 1.096 0.004) 2.191 8.192 ( -11.890 -6.865 2.538) 13.962 12.358 ( 2.312 1.335 -0.755) 2.774======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( -1.730 -0.999 3.613) 4.128 3.392 ( -0.631 -0.364 -8.084) 8.117 3.469 ( -13.189 -7.615 -1.014) 15.263 3.645 ( 16.046 9.264 -13.729) 23.061 3.874 ( -1.310 -0.756 3.975) 4.253 4.518 ( -4.945 -2.855 -3.693) 6.800 4.673 ( -3.741 -2.160 5.430) 6.939 5.059 ( 0.707 0.408 2.225) 2.370 5.759 ( -2.772 -1.600 4.042) 5.156 7.890 ( -1.935 -1.117 -0.003) 2.234 8.152 ( 7.665 4.425 1.988) 9.071 12.406 ( 2.032 1.173 -0.068) 2.347======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.751 ( -8.580 -4.954 4.722) 10.975 3.093 ( -18.398 -10.622 0.707) 21.255 3.347 ( -0.904 -0.522 -8.959) 9.020 3.841 ( -2.614 -1.509 4.119) 5.106 3.925 ( 10.876 6.279 -15.340) 19.825 4.352 ( -8.402 -4.851 -2.824) 10.104 4.605 ( -3.921 -2.264 8.157) 9.330 5.056 ( -1.312 -0.757 1.016) 1.823 5.635 ( -8.177 -4.721 2.953) 9.893 7.809 ( -4.803 -2.773 0.015) 5.546 8.523 ( 22.845 13.190 1.274) 26.410 12.453 ( 2.090 1.207 -0.099) 2.416======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 0.000 16.869 19.979) 26.148 1.120 ( 0.000 15.755 17.994) 23.917 1.735 ( 0.000 13.955 32.151) 35.049 2.951 ( -0.000 -0.022 -10.065) 10.065 3.146 ( -0.000 13.293 -9.768) 16.496 3.559 ( 0.000 1.978 4.126) 4.575 3.691 ( -0.000 13.482 0.911) 13.513 4.969 ( -0.000 -15.612 -17.649) 23.564 6.256 ( 0.000 -20.134 11.689) 23.281 7.561 ( 0.000 -1.396 0.441) 1.464 9.182 ( -0.000 88.597 -32.853) 94.492 13.011 ( 0.000 -26.275 2.410) 26.385======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 1.338 20.372 13.867) 24.680 1.373 ( 1.448 11.438 22.200) 25.015 2.147 ( 17.257 20.421 12.633) 29.571 2.990 ( 6.482 0.713 -9.088) 11.186 3.294 ( 4.573 14.371 -6.177) 16.297 3.597 ( 0.379 3.178 4.019) 5.138 3.916 ( 8.321 13.042 -0.066) 15.471 4.762 ( -2.505 -6.118 -14.468) 15.907 6.044 ( -7.122 -12.552 5.784) 15.548 7.544 ( -0.442 -1.109 0.411) 1.262 10.201 ( 35.254 47.460 -25.890) 64.541 12.535 ( -21.860 -26.070 -0.106) 34.022======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( 4.009 12.366 12.230) 17.848 1.601 ( 5.021 20.028 13.406) 24.618 2.720 ( 22.344 18.589 -2.153) 29.145 3.097 ( 6.298 3.109 -8.759) 11.227 3.560 ( 11.269 12.639 0.744) 16.950 3.662 ( 1.074 4.704 3.953) 6.238 4.196 ( 9.719 10.597 -0.101) 14.379 4.693 ( 2.373 0.434 -11.071) 11.330 5.800 ( -9.209 -10.657 2.581) 14.319 7.538 ( 0.076 0.935 0.364) 1.006 10.962 ( 20.398 6.715 -0.859) 21.492 11.866 ( -23.834 -11.820 -14.018) 30.071======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 8.347 13.117 6.342) 16.791 1.973 ( 8.774 20.532 7.448) 23.538 3.188 ( 8.630 5.371 -8.391) 13.181 3.244 ( 15.886 11.567 -9.162) 21.682 3.748 ( 1.189 6.293 3.066) 7.100 3.917 ( 13.914 10.929 6.130) 18.725 4.445 ( 8.401 7.514 -0.995) 11.315 4.776 ( 7.602 3.824 -5.812) 10.305 5.538 ( -9.769 -9.210 1.111) 13.472 7.579 ( 1.617 4.441 0.337) 4.738 10.691 ( -30.213 -27.875 11.432) 42.668 11.789 ( 12.478 10.007 -18.256) 24.272======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.135 ( 14.304 14.769 1.074) 20.588 2.335 ( 7.971 18.221 4.833) 20.467 3.292 ( 4.222 3.854 -8.443) 10.197 3.578 ( 12.259 6.707 -8.953) 16.596 3.841 ( 0.295 7.712 1.764) 7.917 4.269 ( 12.520 8.405 6.236) 16.318 4.626 ( 6.102 4.224 -1.271) 7.530 4.961 ( 8.398 3.223 -1.341) 9.094 5.323 ( -4.754 -4.925 0.713) 6.882 7.685 ( 2.854 8.361 0.360) 8.842 9.849 ( -36.705 -24.204 4.970) 44.247 12.026 ( 11.492 1.344 -7.462) 13.768======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( 17.846 14.815 -2.428) 23.321 2.632 ( 5.360 15.095 3.412) 16.378 3.362 ( 2.902 2.770 -7.811) 8.781 3.751 ( 5.151 3.752 -7.069) 9.517 3.910 ( -1.691 7.131 1.102) 7.411 4.532 ( 8.069 4.455 2.814) 9.637 4.725 ( 2.461 0.305 0.721) 2.582 4.995 ( -2.187 -1.649 -0.299) 2.755 5.400 ( 11.189 2.880 2.413) 11.803 7.833 ( 2.259 11.238 0.427) 11.470 9.032 ( -33.329 -17.853 2.525) 37.894 12.167 ( 8.646 -4.000 -2.870) 9.949======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( 1.821 11.360 2.920) 11.870 3.011 ( 18.445 13.147 -5.486) 23.306 3.392 ( 0.974 1.000 -7.377) 7.508 3.789 ( -2.644 3.205 -7.217) 8.327 3.934 ( -2.905 5.084 3.388) 6.765 4.623 ( -0.085 -0.817 -2.322) 2.463 4.733 ( 0.060 -1.814 2.648) 3.210 4.992 ( 1.908 1.066 1.888) 2.888 5.626 ( 9.799 0.563 3.991) 10.596 7.972 ( -0.102 12.012 0.553) 12.025 8.407 ( -23.076 -8.708 1.660) 24.720 12.242 ( 7.357 -6.611 -0.982) 9.940======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.934 ( -2.644 6.960 3.342) 8.161 3.359 ( -1.684 -2.719 -6.811) 7.525 3.412 ( 16.694 10.266 -9.075) 21.597 3.677 ( -11.186 3.927 -5.430) 13.040 3.940 ( -3.086 3.869 3.946) 6.330 4.549 ( -3.627 -3.205 -4.072) 6.325 4.714 ( -1.453 -2.051 3.841) 4.591 5.047 ( 1.844 0.370 2.491) 3.121 5.741 ( 3.292 -3.708 4.360) 6.603 8.086 ( 3.438 0.667 1.916) 3.992 8.088 ( -13.601 12.334 0.098) 18.361 12.293 ( 7.120 -7.465 -0.352) 10.322======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.898 ( -8.348 2.055 4.163) 9.552 3.198 ( -8.604 -9.680 -4.568) 13.733 3.504 ( -12.235 8.563 -5.683) 15.979 3.727 ( 13.144 6.665 -11.580) 18.743 3.924 ( -4.131 3.191 3.236) 6.141 4.419 ( -5.628 -4.390 -3.332) 7.877 4.669 ( -3.061 -1.946 6.147) 7.138 5.064 ( -0.231 -1.056 1.515) 1.861 5.691 ( -3.731 -7.237 3.356) 8.807 7.959 ( -9.510 4.247 0.658) 10.436 8.335 ( 13.392 15.267 1.187) 20.344 12.342 ( 7.155 -7.261 -0.499) 10.206======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 0.000 16.793 16.390) 23.465 1.557 ( 0.000 18.102 11.273) 21.325 2.274 ( 0.000 25.708 10.689) 27.842 2.906 ( -0.000 1.633 -8.800) 8.950 3.393 ( -0.000 15.359 -4.714) 16.067 3.635 ( 0.000 3.263 3.057) 4.471 4.001 ( -0.000 16.393 1.612) 16.472 4.675 ( -0.000 -4.087 -14.965) 15.513 5.982 ( 0.000 -14.452 4.549) 15.151 7.534 ( 0.000 -1.202 0.360) 1.255 10.313 ( -0.000 41.543 -15.104) 44.204 12.446 ( 0.000 -26.411 -5.533) 26.985======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( -0.793 15.383 10.720) 18.766 1.796 ( 2.430 19.450 10.720) 22.341 2.643 ( 9.562 24.929 -1.890) 26.767 2.976 ( 7.303 2.998 -7.161) 10.659 3.569 ( 4.180 14.505 0.311) 15.099 3.697 ( 1.837 4.714 2.765) 5.765 4.208 ( 3.952 15.096 2.190) 15.758 4.625 ( 1.623 1.055 -12.599) 12.747 5.809 ( -4.711 -13.313 2.499) 14.342 7.537 ( 0.992 0.504 0.374) 1.174 10.718 ( 14.084 8.449 1.411) 16.484 12.052 ( -15.215 -13.053 -14.706) 24.863======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 1.536 15.019 5.528) 16.078 2.109 ( 5.538 22.128 8.215) 24.244 3.046 ( 13.057 17.263 -8.170) 23.136 3.124 ( 7.782 4.876 -8.130) 12.265 3.774 ( 4.042 6.296 2.204) 7.799 3.869 ( 8.150 13.639 5.636) 16.859 4.425 ( 4.423 11.539 1.540) 12.453 4.679 ( 5.315 4.272 -8.102) 10.590 5.585 ( -7.076 -11.425 0.976) 13.474 7.593 ( 2.625 4.519 0.507) 5.251 10.743 ( -5.470 -30.479 13.228) 33.673 11.770 ( -5.181 11.165 -20.328) 23.764======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( 7.446 16.509 1.939) 18.214 2.454 ( 5.485 21.812 6.412) 23.388 3.226 ( 4.747 4.457 -9.257) 11.317 3.419 ( 13.094 11.199 -7.461) 18.776 3.905 ( 2.748 7.736 1.256) 8.305 4.184 ( 10.116 11.218 5.647) 16.126 4.593 ( 3.543 7.375 0.812) 8.222 4.832 ( 8.862 4.234 -3.248) 10.345 5.363 ( -6.620 -7.999 0.115) 10.384 7.725 ( 3.996 9.708 0.730) 10.524 10.151 ( -25.114 -30.573 6.105) 40.034 11.849 ( 6.177 4.171 -9.507) 12.080======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 12.367 16.710 -0.229) 20.790 2.758 ( 3.232 19.780 5.148) 20.693 3.306 ( 3.658 2.762 -8.486) 9.645 3.678 ( 7.951 8.201 -5.786) 12.804 4.022 ( -0.069 9.646 0.499) 9.659 4.447 ( 8.221 5.980 2.492) 10.467 4.694 ( 1.993 2.340 1.722) 3.523 4.983 ( 3.442 0.242 -1.071) 3.613 5.268 ( 4.093 -1.244 0.974) 4.387 7.913 ( 3.567 12.792 1.067) 13.322 9.420 ( -29.831 -19.372 1.817) 35.616 11.944 ( 8.050 -6.104 -3.487) 10.687======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( 14.236 14.764 -2.904) 20.714 2.986 ( 0.263 16.791 4.790) 17.463 3.350 ( 2.138 0.805 -7.305) 7.654 3.826 ( 2.268 7.425 -4.916) 9.189 4.088 ( -4.134 10.102 1.167) 10.977 4.584 ( 3.270 0.429 -2.151) 3.938 4.717 ( 0.096 -1.981 2.517) 3.205 4.988 ( 0.043 1.031 0.691) 1.242 5.440 ( 12.008 -1.045 3.140) 12.456 8.062 ( 0.454 5.697 1.616) 5.939 8.823 ( -26.319 1.312 -0.103) 26.352 11.990 ( 9.184 -12.417 -1.083) 15.483======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.095 ( -2.489 11.666 1.674) 12.045 3.237 ( 12.763 12.346 -3.264) 18.054 3.340 ( -0.745 -1.637 -6.047) 6.309 3.871 ( -4.717 8.512 -5.051) 10.964 4.095 ( -6.386 8.883 3.536) 11.497 4.555 ( -2.455 -3.346 -5.151) 6.615 4.709 ( 0.532 -1.953 2.810) 3.463 5.025 ( 1.794 0.521 2.197) 2.884 5.606 ( 8.447 -5.123 4.092) 10.693 8.022 ( -0.995 -8.705 1.834) 8.952 8.592 ( -18.953 26.958 -0.594) 32.958 12.019 ( 10.731 -15.211 -0.372) 18.619======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.100 ( -8.281 6.502 2.988) 10.945 3.238 ( -5.846 -4.052 -5.171) 8.794 3.540 ( 11.866 7.889 -8.281) 16.481 3.808 ( -11.147 10.773 -3.609) 15.916 4.076 ( -6.556 6.729 4.210) 10.295 4.441 ( -3.610 -4.387 -4.329) 7.142 4.703 ( -0.860 -1.315 3.555) 3.886 5.052 ( 0.817 -1.177 1.646) 2.182 5.638 ( 1.851 -8.761 3.516) 9.620 7.988 ( 4.892 -5.295 1.974) 7.474 8.590 ( -14.378 29.970 -0.568) 33.246 12.062 ( 11.909 -14.941 -0.563) 19.115======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 0.000 15.026 7.340) 16.723 1.970 ( -0.000 17.883 4.586) 18.462 2.836 ( -0.000 26.638 -4.282) 26.980 2.909 ( -0.000 3.249 -5.440) 6.337 3.689 ( -0.000 15.139 2.875) 15.410 3.725 ( 0.000 3.996 1.938) 4.441 4.351 ( -0.000 16.369 3.620) 16.764 4.595 ( -0.000 4.324 -11.570) 12.352 5.719 ( 0.000 -13.607 1.636) 13.705 7.531 ( -0.000 0.987 0.240) 1.015 10.629 ( 0.000 -10.230 10.332) 14.540 12.041 ( -0.000 -2.005 -19.455) 19.558======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -1.418 15.180 1.073) 15.284 2.221 ( 6.555 17.934 3.710) 19.452 3.001 ( 7.541 5.367 -4.322) 10.215 3.088 ( 2.933 19.660 -7.817) 21.360 3.785 ( 2.012 5.112 1.882) 5.807 3.908 ( 5.323 14.686 5.898) 16.698 4.522 ( 0.794 13.318 2.470) 13.568 4.645 ( 2.076 8.032 -7.406) 11.121 5.561 ( -3.486 -11.756 0.396) 12.268 7.580 ( 3.290 3.720 0.299) 4.975 10.479 ( 1.424 -32.924 12.949) 35.408 11.949 ( -7.308 10.489 -18.194) 22.236======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( 2.688 16.493 -1.151) 16.750 2.554 ( 8.840 18.052 4.148) 20.524 3.161 ( 5.812 4.608 -7.988) 10.901 3.329 ( 8.301 14.488 -4.615) 17.324 3.904 ( 4.826 5.610 1.866) 7.632 4.176 ( 6.850 12.512 5.117) 15.155 4.654 ( 1.137 8.870 0.736) 8.973 4.763 ( 3.239 8.376 -2.402) 9.296 5.384 ( -5.063 -7.751 -0.804) 9.293 7.728 ( 6.446 8.520 0.573) 10.699 10.098 ( -7.061 -38.008 7.834) 39.444 11.889 ( -5.997 8.801 -10.698) 15.095======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.455 ( 7.750 17.255 -0.770) 18.931 2.885 ( 6.868 17.168 4.573) 19.048 3.251 ( 3.214 3.714 -8.129) 9.497 3.604 ( 9.335 10.749 -3.574) 14.679 4.068 ( 5.392 7.545 1.761) 9.439 4.399 ( 5.740 7.202 1.987) 9.421 4.730 ( -0.779 3.763 2.352) 4.505 4.902 ( 5.606 4.839 -0.954) 7.467 5.252 ( -3.376 -1.970 -1.220) 4.095 7.953 ( 6.357 11.358 1.045) 13.058 9.591 ( -13.692 -26.903 2.670) 30.305 11.830 ( -2.614 -1.429 -4.544) 5.434======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( 10.479 15.877 -0.862) 19.043 3.150 ( 3.087 15.252 4.707) 16.257 3.301 ( 1.990 2.248 -6.675) 7.319 3.824 ( 5.844 8.954 -3.242) 11.173 4.231 ( 1.712 10.607 1.244) 10.816 4.525 ( 3.485 1.561 -1.111) 3.977 4.721 ( -1.765 -1.415 2.293) 3.221 5.008 ( 1.029 3.296 -0.278) 3.464 5.257 ( 6.146 -1.041 1.008) 6.315 8.095 ( -0.391 0.645 1.548) 1.722 9.211 ( -12.761 1.608 -0.213) 12.864 11.743 ( 1.839 -12.225 -1.418) 12.444======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.102 ( 9.930 12.174 -2.581) 15.921 3.303 ( 0.648 2.568 -1.257) 2.932 3.338 ( -1.316 11.027 0.730) 11.129 3.966 ( 1.683 8.406 -2.600) 8.958 4.326 ( -4.910 12.279 2.258) 13.415 4.536 ( -0.812 -2.377 -4.944) 5.545 4.689 ( 0.162 -1.840 1.940) 2.679 5.027 ( -0.822 1.719 0.701) 2.030 5.391 ( 10.442 -5.882 3.092) 12.377 7.967 ( -4.346 -12.023 1.250) 12.846 9.181 ( -12.826 30.248 -0.706) 32.863 11.658 ( 8.160 -20.305 -0.295) 21.885======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.261 ( -3.646 -0.818 -1.001) 3.868 3.302 ( -0.554 7.558 -4.911) 9.031 3.457 ( 3.399 9.497 0.687) 10.110 4.032 ( -3.537 9.067 -2.020) 9.940 4.319 ( -9.537 8.921 4.689) 13.876 4.442 ( -3.355 -2.735 -5.868) 7.292 4.701 ( 0.859 0.264 1.148) 1.458 5.030 ( 0.538 -1.091 1.071) 1.621 5.478 ( 6.944 -9.685 3.150) 12.326 7.841 ( 3.150 -8.736 1.219) 9.366 9.238 ( -20.058 35.043 -0.599) 40.382 11.640 ( 14.726 -21.907 -0.349) 26.398======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( -0.000 14.966 -3.812) 15.443 2.319 ( -0.000 15.915 -1.785) 16.015 2.970 ( -0.000 4.577 -0.060) 4.577 3.237 ( -0.000 17.077 -6.535) 18.284 3.814 ( -0.000 3.949 0.784) 4.026 4.037 ( 0.000 15.423 7.782) 17.275 4.617 ( -0.000 8.183 -3.868) 9.051 4.744 ( -0.000 14.789 0.860) 14.814 5.482 ( 0.000 -9.352 -0.718) 9.379 7.583 ( -0.000 4.098 0.120) 4.100 10.148 ( 0.000 -38.675 11.296) 40.291 12.073 ( -0.000 11.291 -14.303) 18.223======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( 0.128 15.691 -6.059) 16.821 2.554 ( 9.153 14.855 -1.961) 17.559 3.077 ( 5.708 4.502 -0.664) 7.300 3.382 ( 1.924 12.764 -2.653) 13.178 3.883 ( 3.357 4.078 0.693) 5.327 4.234 ( 2.961 12.357 6.863) 14.442 4.689 ( 1.267 6.425 -3.723) 7.533 4.878 ( -1.387 11.749 2.534) 12.099 5.388 ( -2.649 -3.073 -2.060) 4.550 7.689 ( 6.225 6.792 0.180) 9.215 9.775 ( -0.519 -40.832 7.552) 41.528 12.079 ( -6.853 9.303 -9.193) 14.766======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( 4.793 16.761 -3.609) 17.802 2.879 ( 11.462 13.217 -0.009) 17.495 3.202 ( 4.362 3.588 -4.263) 7.076 3.567 ( 6.551 10.382 0.575) 12.289 4.020 ( 6.982 4.774 1.375) 8.569 4.402 ( 2.967 6.786 4.408) 8.619 4.751 ( 1.036 2.268 -1.389) 2.854 4.943 ( -1.416 6.184 1.315) 6.479 5.328 ( -4.664 4.998 -2.618) 7.321 7.923 ( 9.594 9.876 0.429) 13.775 9.390 ( -0.461 -35.147 3.612) 35.335 11.966 ( -11.139 3.910 -4.773) 12.733======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 7.770 16.050 -0.992) 17.860 3.180 ( 8.067 9.416 3.207) 12.807 3.280 ( 3.379 4.207 -5.912) 8.004 3.793 ( 7.318 9.007 -0.299) 11.609 4.224 ( 9.004 6.585 2.153) 11.361 4.494 ( 1.857 1.395 1.867) 2.980 4.743 ( -1.629 -1.796 -0.129) 2.428 5.000 ( 2.441 3.342 0.519) 4.171 5.290 ( -6.013 6.467 -2.142) 9.086 8.103 ( 0.506 0.288 0.770) 0.965 9.200 ( 8.660 -10.596 0.810) 13.708 11.748 ( -12.409 -4.259 -1.909) 13.258======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.068 ( 7.922 12.913 -0.225) 15.151 3.283 ( 1.187 0.736 -0.895) 1.659 3.445 ( 4.633 10.106 0.017) 11.117 3.980 ( 4.815 7.707 -0.980) 9.140 4.444 ( 4.834 7.188 4.847) 9.926 4.515 ( 0.959 0.235 -3.952) 4.074 4.687 ( -1.653 -1.828 0.230) 2.476 5.074 ( 1.710 1.569 0.600) 2.397 5.237 ( -2.071 -0.547 -0.381) 2.176 7.947 ( -7.240 -12.285 0.477) 14.267 9.478 ( 12.262 20.845 -0.081) 24.184 11.453 ( -9.081 -15.466 -0.452) 17.941======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.286 ( 0.450 1.645 0.885) 1.922 3.298 ( 4.643 7.176 -3.909) 9.399 3.571 ( -0.909 7.562 1.718) 7.807 4.109 ( 2.265 6.421 -0.248) 6.813 4.429 ( -3.595 -4.458 -1.913) 6.038 4.569 ( -3.182 5.492 2.177) 6.710 4.713 ( 1.467 7.401 -1.166) 7.634 5.048 ( -4.347 0.322 -0.923) 4.456 5.247 ( 7.922 -9.989 2.470) 12.986 7.740 ( -2.207 -9.436 0.391) 9.698 9.864 ( -5.569 36.248 -0.308) 36.675 11.178 ( 5.353 -27.475 -0.055) 27.991======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( -0.000 15.872 -8.556) 18.031 2.581 ( -0.000 12.847 -5.708) 14.058 3.082 ( 0.000 4.748 4.807) 6.757 3.470 ( -0.000 8.880 0.242) 8.883 3.887 ( -0.000 3.137 -0.374) 3.159 4.350 ( 0.000 10.127 7.274) 12.468 4.729 ( -0.000 5.386 -3.085) 6.207 4.988 ( 0.000 5.215 1.705) 5.487 5.421 ( -0.000 6.929 -2.813) 7.478 7.689 ( -0.000 6.119 0.038) 6.119 9.392 ( 0.000 -40.080 5.512) 40.457 12.205 ( -0.000 7.688 -6.432) 10.024======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.603 ( 1.846 16.378 -5.317) 17.318 2.790 ( 10.443 11.357 -5.823) 16.491 3.172 ( 2.821 3.713 3.992) 6.139 3.574 ( 3.251 6.372 3.121) 7.804 3.954 ( 4.609 2.839 -0.500) 5.436 4.457 ( 0.343 5.537 6.366) 8.444 4.762 ( -0.136 2.236 -1.633) 2.772 5.008 ( -1.068 2.049 -0.684) 2.410 5.487 ( -3.562 12.394 -2.775) 13.190 7.839 ( 9.258 7.709 0.026) 12.047 9.025 ( 0.805 -36.169 2.963) 36.299 12.181 ( -8.307 5.035 -3.702) 10.395======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( 5.540 15.949 -0.836) 16.905 3.085 ( 12.876 8.835 -4.093) 16.143 3.251 ( 1.684 1.988 1.800) 3.167 3.742 ( 7.762 5.587 3.369) 10.140 4.103 ( 9.527 2.873 -0.065) 9.951 4.505 ( -0.452 0.526 5.334) 5.379 4.752 ( -1.407 -0.636 -1.175) 1.940 5.013 ( -0.362 2.575 -1.535) 3.020 5.501 ( -7.508 10.774 -2.883) 13.445 8.079 ( 5.256 3.816 -0.093) 6.496 8.810 ( 13.712 -22.045 1.164) 25.988 11.996 ( -15.726 1.495 -1.666) 15.885======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.080 ( 6.204 13.250 1.806) 14.742 3.279 ( 0.332 0.544 2.272) 2.360 3.368 ( 11.600 5.823 -3.769) 13.516 3.947 ( 7.577 5.756 1.401) 9.618 4.338 ( 13.562 3.315 -0.002) 13.961 4.491 ( -1.162 -3.338 4.299) 5.565 4.705 ( -2.149 -0.822 -1.449) 2.719 5.033 ( 0.951 0.555 -0.547) 1.230 5.419 ( -10.746 6.450 -2.836) 12.850 7.975 ( -8.474 -9.689 -0.395) 12.878 9.175 ( 32.761 4.068 0.552) 33.017 11.659 ( -21.785 -3.184 -0.460) 22.022======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( -0.000 17.312 -3.925) 17.751 2.766 ( -0.000 9.447 -5.819) 11.095 3.201 ( 0.000 2.950 6.829) 7.439 3.602 ( 0.000 2.628 4.627) 5.321 3.931 ( -0.000 1.808 -1.481) 2.338 4.519 ( 0.000 2.388 6.440) 6.868 4.778 ( -0.000 0.979 -1.162) 1.519 5.030 ( -0.000 2.274 -2.504) 3.382 5.642 ( -0.000 12.888 -3.158) 13.270 7.810 ( -0.000 5.481 0.008) 5.481 8.688 ( 0.000 -30.937 1.245) 30.962 12.294 ( -0.000 4.172 -2.214) 4.723======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.889 ( 5.062 10.539 -1.536) 11.792 2.971 ( 6.785 13.619 -2.870) 15.483 3.260 ( 1.254 1.466 6.258) 6.549 3.669 ( 4.984 0.156 5.035) 7.086 3.987 ( 5.334 1.107 -1.876) 5.761 4.536 ( -0.954 -1.192 5.821) 6.018 4.769 ( -1.153 0.049 -1.370) 1.792 5.043 ( -0.552 2.808 -2.805) 4.007 5.704 ( -4.706 9.414 -3.647) 11.139 7.979 ( 11.557 6.095 -0.184) 13.067 8.424 ( 2.494 -23.695 -0.011) 23.826 12.242 ( -9.494 2.820 -0.920) 9.947======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.098 ( 7.987 7.149 1.140) 10.780 3.222 ( 7.974 9.776 -0.560) 12.628 3.293 ( 0.009 0.425 4.085) 4.107 3.826 ( 10.785 0.298 4.222) 11.586 4.124 ( 10.735 -0.037 -2.564) 11.037 4.503 ( -1.971 -3.746 5.531) 6.965 4.733 ( -2.060 -0.246 -2.044) 2.913 5.046 ( -0.927 1.747 -2.132) 2.908 5.644 ( -8.951 4.809 -3.715) 10.819 8.037 ( -7.197 -5.046 -1.257) 8.879 8.586 ( 32.655 -2.866 0.525) 32.785 12.018 ( -18.571 1.514 -0.065) 18.633======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.882 ( -0.000 5.184 -4.627) 6.948 3.107 ( 0.000 17.700 5.542) 18.547 3.277 ( 0.000 0.157 7.493) 7.495 3.616 ( 0.000 -4.583 4.345) 6.315 3.939 ( -0.000 0.251 -2.485) 2.497 4.541 ( 0.000 -3.058 5.004) 5.864 4.774 ( -0.000 -0.386 -1.897) 1.935 5.066 ( -0.000 2.497 -2.902) 3.828 5.809 ( -0.000 5.406 -4.212) 6.853 7.890 ( -0.000 2.179 0.006) 2.179 8.232 ( 0.000 -13.263 -1.479) 13.345 12.352 ( -0.000 2.649 -0.168) 2.655======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.969 ( 7.064 1.392 -4.021) 8.247 3.279 ( -0.563 1.204 9.108) 9.205 3.339 ( 1.894 12.959 6.700) 14.711 3.634 ( 8.296 -6.264 3.667) 11.023 3.974 ( 5.171 -0.656 -3.167) 6.100 4.507 ( -1.257 -4.446 4.465) 6.425 4.747 ( -1.135 -1.282 -3.022) 3.474 5.071 ( -0.755 1.403 -2.425) 2.902 5.782 ( -4.977 0.741 -4.184) 6.544 8.086 ( 20.641 0.401 0.200) 20.645 8.107 ( -4.634 -2.583 -2.070) 5.695 12.290 ( -10.035 2.331 0.342) 10.308======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.895 ( -0.000 -1.579 -4.380) 4.656 3.313 ( 0.000 -1.174 8.393) 8.475 3.425 ( 0.000 -9.782 9.573) 13.687 3.546 ( 0.000 12.914 5.346) 13.977 3.909 ( -0.000 -1.389 -3.360) 3.636 4.482 ( 0.000 -5.586 3.712) 6.707 4.723 ( -0.000 -2.850 -4.745) 5.535 5.080 ( -0.000 0.354 -2.130) 2.159 5.798 ( -0.000 -3.671 -3.982) 5.416 7.890 ( 0.000 -2.228 -0.001) 2.228 8.173 ( -0.000 8.648 -2.407) 8.976 12.403 ( -0.000 2.365 0.544) 2.427======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 0.000 -0.000 21.068) 21.068 0.957 ( 0.000 -0.000 21.068) 21.068 1.744 ( 0.000 -0.000 41.822) 41.822 2.937 ( -0.000 0.000 -9.944) 9.944 2.937 ( -0.000 0.000 -9.944) 9.944 3.549 ( 0.000 -0.000 4.106) 4.106 3.549 ( 0.000 -0.000 4.106) 4.106 5.118 ( -0.000 0.000 -30.389) 30.389 6.896 ( 0.000 -0.000 11.711) 11.711 7.579 ( 0.000 -0.000 0.478) 0.478 7.579 ( 0.000 -0.000 0.478) 0.478 13.321 ( 0.000 -0.000 0.260) 0.260======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.035 ( 5.878 3.394 19.224) 20.387 1.281 ( 11.551 6.669 22.426) 26.093 1.944 ( 9.466 5.465 24.898) 27.192 2.959 ( 3.110 1.795 -9.741) 10.382 3.028 ( 10.570 6.103 -6.960) 14.050 3.570 ( 0.966 0.558 3.977) 4.130 3.711 ( 11.211 6.473 1.231) 13.004 4.849 ( -9.897 -5.714 -21.209) 24.092 6.327 ( -19.759 -11.408 10.401) 25.075 7.567 ( -1.129 -0.652 0.415) 1.368 9.040 ( 76.731 44.301 -23.649) 91.703 12.998 ( -25.948 -14.981 2.448) 30.062======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 12.946 7.474 14.437) 20.782 1.500 ( 2.438 1.408 24.055) 24.220 2.385 ( 23.657 13.659 -0.202) 27.318 3.017 ( 4.434 2.560 -9.453) 10.751 3.332 ( 15.758 9.098 0.869) 18.216 3.617 ( 1.956 1.129 3.831) 4.448 4.007 ( 13.293 7.674 0.020) 15.349 4.660 ( -1.338 -0.773 -15.011) 15.090 5.998 ( -13.083 -7.553 4.254) 15.694 7.540 ( -1.027 -0.593 0.285) 1.219 10.459 ( 51.265 29.598 -19.776) 62.411 12.258 ( -36.602 -21.132 0.869) 42.273======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 6.529 3.770 14.082) 15.973 1.690 ( 15.516 8.958 10.036) 20.536 2.935 ( 23.742 13.707 -8.577) 28.725 3.100 ( 5.232 3.021 -9.022) 10.858 3.682 ( 2.604 1.504 3.766) 4.820 3.725 ( 16.804 9.702 5.647) 20.209 4.295 ( 11.396 6.580 -1.179) 13.212 4.679 ( 6.065 3.501 -9.124) 11.502 5.712 ( -12.599 -7.274 1.757) 14.654 7.535 ( 0.803 0.463 0.152) 0.939 11.173 ( -11.775 -6.798 15.082) 20.306 11.519 ( 0.984 0.568 -24.898) 24.924======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 13.673 7.894 6.038) 16.904 2.073 ( 15.017 8.670 6.724) 18.598 3.195 ( 5.257 3.035 -8.432) 10.389 3.381 ( 17.000 9.815 -10.823) 22.416 3.757 ( 2.762 1.595 3.745) 4.919 4.117 ( 14.980 8.649 6.254) 18.393 4.520 ( 8.804 5.083 -2.686) 10.515 4.859 ( 10.260 5.924 -3.007) 12.223 5.442 ( -10.439 -6.027 1.033) 12.098 7.584 ( 3.487 2.013 0.074) 4.027 10.353 ( -41.170 -23.770 5.050) 47.807 11.888 ( 16.336 9.431 -8.883) 20.850======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( 18.392 10.619 0.974) 21.260 2.411 ( 12.560 7.252 4.571) 15.207 3.282 ( 4.353 2.513 -7.794) 9.274 3.643 ( 8.775 5.066 -10.327) 14.468 3.829 ( 2.312 1.335 3.661) 4.531 4.435 ( 10.739 6.200 3.640) 12.923 4.682 ( 5.619 3.244 -1.539) 6.669 5.021 ( 0.399 0.231 -0.516) 0.692 5.340 ( 4.821 2.783 2.235) 5.998 7.689 ( 5.280 3.049 0.045) 6.097 9.446 ( -37.574 -21.693 2.423) 43.454 12.147 ( 8.377 4.837 -3.105) 10.160======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.674 ( 8.971 5.180 3.551) 10.951 2.744 ( 19.789 11.425 -3.131) 23.064 3.339 ( 2.561 1.479 -7.370) 7.942 3.731 ( 1.633 0.943 -8.587) 8.791 3.883 ( 1.349 0.779 3.504) 3.835 4.607 ( 3.271 1.889 -1.586) 4.097 4.755 ( 0.629 0.363 1.104) 1.322 4.984 ( 0.108 0.062 1.669) 1.673 5.571 ( 10.408 6.009 3.850) 12.620 7.810 ( 4.757 2.746 0.022) 5.493 8.681 ( -28.128 -16.240 1.932) 32.537 12.281 ( 4.217 2.435 -0.928) 4.957======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( 4.506 2.602 3.566) 6.308 3.171 ( 18.245 10.534 -7.637) 22.409 3.349 ( 0.362 0.209 -7.528) 7.540 3.665 ( -5.367 -3.099 -5.865) 8.533 3.911 ( 0.113 0.065 3.371) 3.374 4.586 ( -2.974 -1.717 -4.134) 5.374 4.753 ( -1.011 -0.584 2.580) 2.832 5.037 ( 2.422 1.398 2.963) 4.075 5.766 ( 4.656 2.688 4.601) 7.077 7.890 ( 1.891 1.092 -0.001) 2.183 8.215 ( -11.872 -6.854 2.190) 13.883 12.353 ( 2.504 1.446 -0.323) 2.910======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.000 15.762 19.926) 25.406 1.277 ( 0.000 13.426 14.624) 19.853 2.020 ( 0.000 4.974 26.795) 27.253 2.860 ( -0.000 0.151 -8.944) 8.946 3.064 ( -0.000 14.685 -6.768) 16.170 3.594 ( 0.000 1.808 3.087) 3.578 3.707 ( -0.000 12.356 2.328) 12.573 4.774 ( -0.000 -10.698 -22.323) 24.754 6.359 ( 0.000 -24.022 9.538) 25.847 7.565 ( 0.000 -1.425 0.436) 1.490 8.944 ( -0.000 82.213 -18.282) 84.221 13.027 ( 0.000 -26.508 1.095) 26.530======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 0.239 17.623 14.033) 22.529 1.582 ( 4.403 8.516 21.309) 23.366 2.227 ( 9.972 14.543 3.595) 17.996 2.909 ( 6.380 1.197 -7.804) 10.151 3.260 ( 6.724 15.709 -0.388) 17.092 3.630 ( 0.692 2.915 2.892) 4.164 3.924 ( 7.634 13.258 1.810) 15.405 4.607 ( -0.980 -3.968 -17.591) 18.060 6.096 ( -8.291 -14.497 4.996) 17.431 7.548 ( -0.470 -1.110 0.355) 1.256 9.996 ( 36.369 53.421 -17.150) 66.862 12.533 ( -21.979 -29.836 -0.146) 37.058======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 4.659 12.385 11.190) 17.329 1.747 ( 1.187 13.158 16.050) 20.788 2.667 ( 20.240 17.219 -8.323) 27.846 3.015 ( 5.729 3.485 -8.355) 10.713 3.592 ( 12.811 13.199 5.403) 19.171 3.695 ( 1.494 4.574 2.797) 5.566 4.200 ( 8.758 10.894 1.074) 14.019 4.580 ( 4.545 2.237 -12.273) 13.277 5.823 ( -9.831 -11.381 2.098) 15.185 7.541 ( 0.020 1.007 0.267) 1.042 10.942 ( 30.304 21.203 -3.377) 37.139 11.762 ( -31.387 -23.494 -7.440) 39.906======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 6.670 9.946 7.840) 14.314 2.053 ( 7.214 19.373 9.085) 22.581 3.104 ( 9.067 5.609 -8.916) 13.898 3.155 ( 14.851 11.585 -9.107) 20.922 3.774 ( 1.526 5.441 2.441) 6.156 3.979 ( 13.960 11.190 6.106) 18.905 4.433 ( 7.342 7.971 -1.047) 10.888 4.722 ( 9.997 5.271 -5.546) 12.589 5.548 ( -9.948 -9.544 0.941) 13.818 7.582 ( 1.542 4.600 0.229) 4.857 10.782 ( -34.636 -29.679 6.659) 46.096 11.641 ( 18.626 13.276 -11.651) 25.669======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( 12.699 12.950 3.637) 18.499 2.390 ( 6.852 17.732 6.526) 20.099 3.212 ( 4.571 3.748 -8.076) 10.008 3.493 ( 12.105 8.277 -8.502) 16.950 3.860 ( 0.553 6.431 2.047) 6.771 4.317 ( 11.786 7.818 3.493) 14.568 4.613 ( 6.031 5.340 -0.941) 8.110 4.948 ( 9.441 3.668 -1.623) 10.258 5.333 ( -4.229 -4.974 1.381) 6.673 7.688 ( 2.758 8.605 0.249) 9.040 9.881 ( -37.520 -24.584 1.583) 44.885 11.974 ( 13.370 2.200 -3.248) 13.933======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( 15.938 13.604 -0.081) 20.955 2.674 ( 4.744 15.105 5.295) 16.694 3.289 ( 3.176 2.767 -7.423) 8.534 3.680 ( 4.832 5.286 -7.345) 10.259 3.927 ( -0.959 6.228 2.059) 6.629 4.541 ( 6.526 3.305 -1.161) 7.407 4.731 ( 3.026 1.478 0.949) 3.499 4.995 ( -1.264 -1.449 0.378) 1.959 5.427 ( 11.912 3.024 3.173) 12.693 7.836 ( 2.121 11.586 0.299) 11.783 9.048 ( -33.204 -18.241 0.699) 37.890 12.149 ( 9.267 -3.726 -0.654) 10.009======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 2.517 11.007 3.059) 11.698 2.970 ( 15.282 12.854 -2.515) 20.126 3.323 ( 0.980 1.200 -6.956) 7.127 3.723 ( -2.640 3.955 -6.363) 7.943 3.964 ( -2.163 5.130 2.803) 6.233 4.588 ( -0.629 -1.416 -4.802) 5.046 4.754 ( 0.386 -1.298 1.882) 2.319 5.015 ( 2.475 1.105 2.849) 3.933 5.666 ( 10.186 0.607 4.243) 11.052 7.977 ( -0.355 12.656 0.378) 12.667 8.419 ( -22.534 -9.461 0.926) 24.457 12.238 ( 7.487 -6.568 -0.036) 9.959======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( 0.000 16.041 6.824) 17.432 1.666 ( 0.000 13.284 18.333) 22.640 2.334 ( -0.000 19.122 1.095) 19.153 2.834 ( -0.000 2.240 -5.991) 6.396 3.374 ( -0.000 17.039 0.940) 17.065 3.659 ( 0.000 3.069 1.998) 3.662 4.025 ( -0.000 16.778 3.445) 17.128 4.522 ( -0.000 -1.785 -16.609) 16.704 6.022 ( 0.000 -16.108 3.680) 16.523 7.538 ( 0.000 -1.249 0.333) 1.293 10.199 ( -0.000 50.685 -8.761) 51.436 12.396 ( 0.000 -32.596 -4.757) 32.942======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -1.247 12.809 8.183) 15.250 1.894 ( 3.886 14.103 9.559) 17.475 2.598 ( 7.240 23.286 -6.752) 25.303 2.916 ( 6.465 3.510 -5.275) 9.052 3.597 ( 5.407 15.664 5.038) 17.320 3.718 ( 2.082 4.590 1.528) 5.267 4.236 ( 3.264 15.447 3.748) 16.227 4.500 ( 2.725 3.238 -13.181) 13.844 5.830 ( -5.038 -14.216 1.831) 15.193 7.541 ( 1.031 0.496 0.292) 1.181 10.742 ( 16.371 20.763 3.707) 26.699 11.921 ( -16.746 -22.378 -12.500) 30.618======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 1.593 11.452 4.350) 12.354 2.185 ( 6.140 19.903 7.117) 22.011 2.968 ( 12.049 17.352 -7.516) 22.422 3.053 ( 7.079 5.539 -6.340) 10.999 3.796 ( 3.347 5.624 2.078) 6.867 3.922 ( 9.105 14.058 5.152) 17.524 4.440 ( 3.245 11.730 1.712) 12.291 4.604 ( 7.215 6.349 -7.290) 12.063 5.593 ( -7.248 -11.994 0.614) 14.027 7.597 ( 2.674 4.613 0.325) 5.342 10.873 ( -7.920 -33.630 13.520) 37.101 11.584 ( -1.890 16.071 -18.095) 24.275======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 7.528 14.404 2.530) 16.448 2.516 ( 5.477 20.703 6.299) 22.322 3.145 ( 4.732 4.384 -7.204) 9.670 3.355 ( 12.616 12.593 -5.730) 18.723 3.917 ( 2.437 7.520 1.029) 7.972 4.227 ( 9.621 10.241 3.079) 14.385 4.600 ( 3.078 8.542 1.040) 9.139 4.803 ( 10.107 5.098 -2.852) 11.674 5.365 ( -6.364 -8.491 0.342) 10.617 7.730 ( 4.035 9.934 0.435) 10.731 10.195 ( -27.458 -31.167 2.715) 41.626 11.779 ( 9.123 5.383 -4.734) 11.603======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 11.690 15.524 1.299) 19.477 2.811 ( 3.042 19.254 5.668) 20.300 3.234 ( 3.742 2.967 -6.309) 7.913 3.625 ( 7.674 9.434 -5.003) 13.150 4.027 ( -0.048 9.380 0.444) 9.391 4.457 ( 7.096 4.962 -0.510) 8.674 4.712 ( 1.872 3.459 1.992) 4.409 4.971 ( 3.980 0.441 -1.400) 4.242 5.282 ( 5.290 -1.401 1.961) 5.813 7.921 ( 3.593 13.204 0.617) 13.698 9.429 ( -30.411 -19.707 -0.126) 36.238 11.924 ( 9.052 -5.918 -0.662) 10.835======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( 12.448 14.025 -1.244) 18.794 3.036 ( 0.352 16.531 5.491) 17.422 3.289 ( 2.074 1.303 -5.467) 5.990 3.780 ( 1.693 8.535 -4.578) 9.832 4.098 ( -3.223 9.996 0.912) 10.542 4.552 ( 1.813 -0.223 -4.323) 4.693 4.738 ( 0.117 -1.636 1.799) 2.434 4.999 ( 1.299 1.097 1.421) 2.216 5.471 ( 12.692 -1.075 3.317) 13.162 8.074 ( 0.529 6.268 0.916) 6.357 8.819 ( -26.254 0.721 -0.686) 26.273 11.986 ( 9.387 -12.460 0.320) 15.604======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 0.000 9.200 4.804) 10.379 1.990 ( -0.000 16.259 -0.638) 16.271 2.782 ( -0.000 25.266 -6.207) 26.018 2.877 ( -0.000 4.321 -0.948) 4.424 3.736 ( 0.000 16.778 6.272) 17.912 3.738 ( -0.000 3.791 0.843) 3.883 4.389 ( -0.000 15.655 4.336) 16.244 4.485 ( -0.000 7.348 -11.104) 13.315 5.732 ( 0.000 -14.440 0.981) 14.473 7.533 ( -0.000 0.936 0.203) 0.958 10.745 ( 0.000 -4.302 13.978) 14.625 11.854 ( -0.000 -5.464 -19.494) 20.245======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -0.867 11.504 -2.072) 11.722 2.237 ( 8.738 16.073 -0.523) 18.302 2.978 ( 5.357 5.017 -0.703) 7.373 3.027 ( 2.973 21.384 -4.077) 21.971 3.799 ( 2.464 4.492 0.948) 5.211 3.968 ( 4.689 15.671 6.157) 17.478 4.518 ( 1.905 8.856 -4.278) 10.018 4.604 ( 1.314 14.412 0.136) 14.473 5.563 ( -3.563 -12.567 -0.030) 13.062 7.583 ( 3.377 3.700 0.185) 5.013 10.608 ( 0.426 -35.979 13.694) 38.499 11.781 ( -6.168 15.064 -16.538) 23.206======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( 4.290 14.671 -2.049) 15.422 2.580 ( 10.868 16.671 0.824) 19.918 3.102 ( 3.899 5.049 -3.693) 7.371 3.303 ( 7.723 15.890 -0.792) 17.685 3.919 ( 4.986 5.628 1.012) 7.587 4.219 ( 5.622 12.247 3.548) 13.935 4.642 ( 3.834 7.583 -2.590) 8.883 4.759 ( 1.322 11.198 1.167) 11.336 5.376 ( -4.941 -8.684 -0.780) 10.022 7.732 ( 6.604 8.571 0.245) 10.823 10.164 ( -9.215 -39.809 5.605) 41.245 11.803 ( -3.765 11.246 -6.937) 13.739======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.450 ( 8.666 16.390 -0.279) 18.542 2.920 ( 8.172 16.392 2.251) 18.453 3.193 ( 2.809 3.843 -3.434) 5.870 3.581 ( 8.040 11.939 -1.289) 14.452 4.080 ( 4.962 8.054 0.662) 9.483 4.412 ( 4.589 6.892 0.695) 8.309 4.744 ( 0.643 3.243 0.743) 3.389 4.896 ( 4.729 6.157 -0.304) 7.770 5.243 ( -2.439 -2.822 -0.450) 3.757 7.960 ( 6.584 11.525 0.361) 13.278 9.609 ( -15.093 -27.291 0.982) 31.202 11.800 ( -1.218 -0.993 -1.635) 2.267======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( 10.122 15.423 0.066) 18.448 3.190 ( 3.609 15.325 2.589) 15.956 3.254 ( 1.966 1.931 -2.093) 3.461 3.800 ( 5.202 9.849 -1.740) 11.274 4.236 ( 1.357 11.277 -0.308) 11.362 4.511 ( 1.970 1.427 -1.658) 2.944 4.737 ( -1.428 -1.959 1.168) 2.691 5.004 ( 1.193 3.770 -0.464) 3.982 5.271 ( 7.704 -1.551 1.794) 8.060 8.105 ( -0.193 0.711 0.423) 0.850 9.207 ( -13.285 1.611 -0.564) 13.394 11.737 ( 2.367 -12.318 0.271) 12.546======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( -0.000 12.155 -6.968) 14.011 2.282 ( -0.000 15.017 -5.638) 16.040 2.990 ( 0.000 5.653 4.167) 7.023 3.200 ( -0.000 18.270 -1.038) 18.299 3.816 ( -0.000 3.746 -0.341) 3.762 4.110 ( 0.000 15.584 7.019) 17.092 4.565 ( -0.000 8.657 -6.032) 10.551 4.767 ( -0.000 15.820 3.227) 16.146 5.474 ( 0.000 -10.439 -1.014) 10.488 7.584 ( -0.000 4.060 0.084) 4.061 10.253 ( 0.000 -41.975 10.275) 43.214 11.947 ( -0.000 15.498 -11.582) 19.348======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( 1.711 15.038 -6.536) 16.486 2.517 ( 10.977 13.967 -5.541) 18.609 3.091 ( 2.823 5.359 3.624) 7.058 3.381 ( 2.343 14.137 2.301) 14.513 3.885 ( 3.898 3.868 -0.355) 5.503 4.293 ( 1.957 12.407 5.338) 13.648 4.649 ( 1.809 7.582 -4.233) 8.870 4.905 ( -1.566 11.448 2.802) 11.890 5.368 ( -2.582 -4.181 -2.114) 5.349 7.690 ( 6.289 6.765 0.035) 9.237 9.839 ( -1.319 -42.970 5.583) 43.351 12.004 ( -6.085 11.791 -6.144) 14.622======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( 6.373 17.037 -2.729) 18.393 2.859 ( 13.895 12.477 -3.991) 19.096 3.192 ( 1.859 4.358 2.030) 5.154 3.586 ( 5.547 11.161 3.166) 12.860 4.028 ( 7.653 4.681 0.339) 8.978 4.439 ( 1.547 7.452 3.039) 8.195 4.732 ( 1.948 3.102 -2.264) 4.306 4.957 ( -1.630 4.774 1.590) 5.289 5.303 ( -4.375 4.611 -2.492) 6.827 7.924 ( 9.743 9.850 -0.102) 13.855 9.418 ( -1.354 -36.049 2.098) 36.135 11.932 ( -10.308 4.868 -2.296) 11.629======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.385 ( -0.000 16.654 -7.288) 18.179 2.522 ( -0.000 12.906 -6.469) 14.436 3.139 ( 0.000 5.214 6.774) 8.548 3.493 ( 0.000 10.028 4.617) 11.040 3.878 ( -0.000 2.954 -1.492) 3.309 4.413 ( 0.000 10.155 5.564) 11.579 4.698 ( -0.000 6.774 -3.176) 7.482 5.003 ( 0.000 3.164 1.405) 3.462 5.393 ( -0.000 6.774 -2.996) 7.407 7.690 ( -0.000 6.103 0.011) 6.103 9.435 ( 0.000 -41.855 3.412) 41.994 12.155 ( -0.000 9.443 -3.825) 10.189======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( 3.068 18.267 -2.809) 18.734 2.730 ( 10.893 11.278 -6.265) 16.885 3.223 ( 1.294 4.159 6.333) 7.687 3.617 ( 2.986 6.890 5.678) 9.415 3.945 ( 5.145 2.555 -1.448) 5.924 4.511 ( -0.166 5.988 4.750) 7.646 4.745 ( -0.001 3.219 -1.866) 3.721 5.001 ( -0.893 -0.044 -0.727) 1.152 5.458 ( -3.492 12.291 -3.188) 13.169 7.839 ( 9.199 7.675 -0.142) 11.981 9.045 ( 0.673 -37.296 1.265) 37.324 12.154 ( -8.046 5.996 -1.689) 10.176======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( -0.000 9.875 -4.874) 11.013 2.730 ( -0.000 20.151 -0.221) 20.152 3.269 ( 0.000 3.025 7.317) 7.917 3.657 ( 0.000 2.492 6.784) 7.228 3.912 ( -0.000 1.658 -2.529) 3.025 4.575 ( 0.000 2.533 4.954) 5.564 4.766 ( -0.000 1.213 -1.252) 1.743 5.005 ( -0.000 1.274 -2.592) 2.888 5.608 ( -0.000 12.531 -3.844) 13.107 7.810 ( -0.000 5.484 -0.008) 5.484 8.693 ( 0.000 -31.945 -0.355) 31.947 12.279 ( -0.000 4.846 -0.707) 4.898======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 0.000 -0.000 17.102) 17.102 1.141 ( 0.000 -0.000 17.102) 17.102 2.122 ( 0.000 -0.000 36.915) 36.915 2.846 ( -0.000 0.000 -8.941) 8.941 2.846 ( -0.000 0.000 -8.941) 8.941 3.583 ( 0.000 -0.000 2.997) 2.997 3.583 ( 0.000 -0.000 2.997) 2.997 4.834 ( -0.000 0.000 -28.746) 28.746 6.993 ( 0.000 -0.000 8.442) 8.442 7.583 ( 0.000 -0.000 0.419) 0.419 7.583 ( 0.000 -0.000 0.419) 0.419 13.323 ( 0.000 -0.000 0.225) 0.225======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 4.986 2.878 16.671) 17.637 1.471 ( 15.770 9.105 16.830) 24.796 2.146 ( -2.878 -1.662 16.659) 16.988 2.870 ( 3.063 1.769 -8.868) 9.548 2.992 ( 13.463 7.773 -0.075) 15.546 3.603 ( 1.053 0.608 2.811) 3.063 3.728 ( 10.455 6.036 2.117) 12.256 4.636 ( -6.279 -3.625 -22.377) 23.523 6.413 ( -22.011 -12.708 7.418) 26.476 7.570 ( -1.165 -0.672 0.315) 1.381 8.869 ( 70.614 40.769 -13.014) 82.570 13.017 ( -25.139 -14.514 1.442) 29.064======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 11.328 6.540 13.820) 19.029 1.730 ( -0.365 -0.211 23.637) 23.641 2.338 ( 20.219 11.674 -9.252) 25.114 2.929 ( 4.452 2.570 -8.722) 10.125 3.367 ( 17.071 9.856 5.690) 20.516 3.648 ( 2.074 1.197 2.659) 3.578 4.017 ( 12.773 7.375 2.209) 14.914 4.509 ( 1.173 0.677 -16.068) 16.125 6.034 ( -14.376 -8.300 3.139) 16.894 7.542 ( -1.070 -0.618 0.174) 1.248 10.299 ( 54.451 31.437 -13.846) 64.381 12.271 ( -37.958 -21.915 1.858) 43.870======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 2.778 1.604 14.402) 14.755 1.789 ( 13.980 8.071 10.522) 19.269 2.843 ( 23.319 13.463 -9.887) 28.684 3.016 ( 5.337 3.081 -8.449) 10.458 3.713 ( 2.759 1.593 2.619) 4.124 3.783 ( 16.935 9.777 5.514) 20.317 4.289 ( 10.135 5.851 0.487) 11.713 4.592 ( 9.122 5.267 -9.003) 13.856 5.727 ( -13.038 -7.528 1.254) 15.107 7.536 ( 0.775 0.448 0.064) 0.898 11.268 ( 31.126 17.971 -14.658) 38.816 11.346 ( -39.688 -22.914 8.240) 46.563======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 11.044 6.376 8.563) 15.361 2.143 ( 13.803 7.969 7.770) 17.731 3.116 ( 5.436 3.139 -8.042) 10.202 3.285 ( 16.882 9.747 -8.889) 21.425 3.788 ( 2.909 1.679 2.632) 4.267 4.163 ( 14.461 8.349 2.775) 16.927 4.501 ( 8.599 4.965 -0.674) 9.953 4.830 ( 11.967 6.909 -3.103) 14.162 5.453 ( -10.274 -5.932 1.121) 11.917 7.585 ( 3.482 2.010 0.022) 4.021 10.374 ( -41.430 -23.919 -0.887) 47.847 11.837 ( 17.911 10.341 -1.458) 20.734======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 16.161 9.330 4.508) 19.197 2.462 ( 11.744 6.781 5.889) 14.785 3.208 ( 4.536 2.619 -7.597) 9.227 3.554 ( 8.951 5.168 -7.974) 13.054 3.859 ( 2.419 1.397 2.602) 3.817 4.447 ( 9.507 5.489 -1.272) 11.051 4.677 ( 6.218 3.590 0.851) 7.230 5.014 ( 1.286 0.742 -0.909) 1.741 5.365 ( 5.456 3.150 2.854) 6.917 7.690 ( 5.279 3.048 0.019) 6.096 9.455 ( -37.286 -21.527 -0.569) 43.058 12.134 ( 8.816 5.090 0.417) 10.189======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 0.000 11.211 9.306) 14.570 1.402 ( 0.000 16.876 17.455) 24.279 2.227 ( 0.000 -4.888 15.515) 16.266 2.785 ( -0.000 0.638 -6.309) 6.341 3.027 ( -0.000 16.970 -0.476) 16.976 3.618 ( 0.000 1.657 1.979) 2.581 3.733 ( -0.000 12.360 2.893) 12.694 4.560 ( -0.000 -7.157 -21.474) 22.635 6.435 ( 0.000 -26.044 6.310) 26.798 7.569 ( 0.000 -1.440 0.354) 1.483 8.815 ( -0.000 77.330 -9.403) 77.900 13.034 ( 0.000 -26.858 0.417) 26.861======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 0.833 15.100 10.788) 18.577 1.777 ( 8.139 7.898 19.334) 22.415 2.213 ( 2.694 8.770 -6.166) 11.054 2.842 ( 5.308 1.954 -5.959) 8.216 3.284 ( 8.754 16.343 4.581) 19.098 3.652 ( 0.963 2.652 1.699) 3.293 3.951 ( 7.178 13.678 3.754) 15.897 4.439 ( 0.321 -1.851 -16.763) 16.868 6.136 ( -9.104 -15.835 3.277) 18.557 7.551 ( -0.519 -1.099 0.240) 1.239 9.870 ( 35.825 56.413 -9.564) 67.508 12.532 ( -21.459 -32.336 -0.115) 38.809======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 5.182 11.171 9.479) 15.540 1.891 ( -0.682 7.617 13.364) 15.397 2.578 ( 19.936 17.964 -9.171) 28.359 2.941 ( 4.889 3.951 -6.829) 9.282 3.648 ( 13.029 13.323 5.270) 19.366 3.715 ( 1.899 4.262 1.378) 4.865 4.222 ( 7.357 10.617 3.823) 13.471 4.464 ( 6.910 4.334 -11.716) 14.276 5.839 ( -10.254 -11.901 1.257) 15.759 7.543 ( -0.031 1.067 0.132) 1.076 10.899 ( 32.891 31.307 -5.441) 45.734 11.724 ( -32.751 -31.967 -0.625) 45.770======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 6.392 7.011 7.681) 12.207 2.140 ( 6.405 18.126 8.569) 21.047 3.027 ( 9.548 6.275 -6.706) 13.249 3.076 ( 13.771 11.911 -7.202) 19.580 3.793 ( 1.783 4.977 1.521) 5.501 4.021 ( 13.357 11.051 2.172) 17.472 4.433 ( 6.278 7.909 1.523) 10.212 4.672 ( 12.096 6.730 -4.935) 14.696 5.556 ( -9.905 -9.707 0.705) 13.887 7.583 ( 1.498 4.714 0.094) 4.948 10.802 ( -37.483 -27.961 -2.974) 46.857 11.585 ( 22.488 12.477 0.415) 25.721======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 11.896 10.825 5.662) 17.051 2.456 ( 6.204 17.220 6.983) 19.590 3.141 ( 4.407 4.060 -6.592) 8.909 3.422 ( 11.709 9.129 -6.102) 16.052 3.877 ( 0.967 5.760 1.354) 5.996 4.328 ( 10.717 7.470 -1.452) 13.144 4.617 ( 5.983 5.839 2.048) 8.607 4.929 ( 10.189 4.032 -2.244) 11.185 5.348 ( -3.343 -4.736 1.867) 6.090 7.689 ( 2.710 8.766 0.112) 9.176 9.878 ( -37.483 -24.008 -2.282) 44.571 11.966 ( 13.998 1.925 1.687) 14.230======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( -0.000 14.146 0.584) 14.158 1.845 ( 0.000 9.237 18.594) 20.762 2.294 ( -0.000 15.479 -9.012) 17.911 2.797 ( -0.000 3.175 -1.594) 3.552 3.403 ( -0.000 18.179 4.262) 18.671 3.673 ( -0.000 2.883 0.882) 3.015 4.066 ( -0.000 17.290 4.730) 17.925 4.371 ( -0.000 0.147 -13.997) 13.998 6.050 ( 0.000 -17.226 2.151) 17.359 7.541 ( 0.000 -1.279 0.247) 1.303 10.144 ( -0.000 56.794 -2.861) 56.866 12.355 ( 0.000 -37.479 -3.968) 37.689======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 0.961 11.404 1.732) 11.575 1.972 ( 3.894 6.816 5.768) 9.741 2.533 ( 6.772 25.064 -5.637) 26.567 2.881 ( 4.557 4.287 -1.487) 6.431 3.649 ( 5.832 16.402 5.026) 18.119 3.726 ( 2.119 4.354 0.184) 4.846 4.282 ( 2.753 15.422 5.826) 16.714 4.380 ( 3.540 5.020 -11.314) 12.873 5.843 ( -5.242 -14.835 0.865) 15.758 7.543 ( 1.031 0.493 0.168) 1.155 10.787 ( 17.040 32.421 5.431) 37.027 11.816 ( -17.148 -32.448 -9.312) 37.864======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 2.983 8.354 1.729) 9.037 2.235 ( 8.141 17.604 2.934) 19.617 2.915 ( 11.002 17.858 -3.151) 21.211 3.009 ( 5.663 7.081 -2.431) 9.388 3.810 ( 3.013 5.248 0.759) 6.099 3.959 ( 8.807 14.299 2.209) 16.938 4.457 ( 2.969 9.861 1.542) 10.413 4.548 ( 8.100 9.504 -3.826) 13.060 5.596 ( -7.253 -12.364 0.209) 14.336 7.599 ( 2.696 4.663 0.112) 5.387 10.982 ( -16.469 -39.140 7.629) 43.144 11.445 ( 6.987 22.519 -9.202) 25.310======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( 8.604 12.421 2.595) 15.331 2.566 ( 6.697 19.318 3.664) 20.772 3.097 ( 3.963 4.843 -2.517) 6.745 3.314 ( 11.485 13.861 -2.861) 18.226 3.923 ( 2.339 7.323 0.114) 7.689 4.239 ( 8.672 10.113 -0.526) 13.332 4.616 ( 3.370 8.529 2.415) 9.483 4.777 ( 10.375 5.921 -2.431) 12.191 5.370 ( -5.815 -8.707 0.595) 10.487 7.733 ( 4.079 10.036 0.100) 10.834 10.200 ( -29.263 -30.201 -1.697) 42.087 11.763 ( 11.166 4.722 1.330) 12.196======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( -0.000 15.204 -5.799) 16.272 1.969 ( -0.000 3.463 -2.062) 4.031 2.740 ( -0.000 26.608 -1.454) 26.647 2.891 ( 0.000 5.364 3.624) 6.473 3.741 ( -0.000 3.584 -0.292) 3.596 3.793 ( -0.000 17.788 4.810) 18.426 4.379 ( -0.000 7.225 -8.554) 11.197 4.446 ( 0.000 16.906 5.447) 17.762 5.737 ( 0.000 -15.016 0.205) 15.017 7.535 ( -0.000 0.900 0.131) 0.909 10.895 ( 0.000 1.859 17.285) 17.385 11.671 ( -0.000 -10.450 -18.815) 21.523======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 0.642 9.219 -5.520) 10.764 2.208 ( 10.998 14.643 -5.404) 19.094 2.984 ( 1.982 8.498 2.210) 9.001 3.024 ( 3.985 19.902 3.299) 20.563 3.802 ( 2.966 4.157 -0.344) 5.118 4.015 ( 3.656 16.302 3.209) 17.013 4.466 ( 3.298 8.502 -5.175) 10.485 4.629 ( 0.237 15.437 3.927) 15.931 5.561 ( -3.552 -13.153 -0.402) 13.630 7.584 ( 3.391 3.677 0.049) 5.002 10.730 ( -1.825 -41.419 11.079) 42.914 11.645 ( -3.930 21.080 -11.226) 24.204======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( -0.000 11.317 -8.918) 14.409 2.217 ( -0.000 15.057 -7.581) 16.858 3.044 ( 0.000 6.204 6.795) 9.201 3.218 ( -0.000 19.231 4.710) 19.799 3.807 ( -0.000 3.548 -1.487) 3.847 4.161 ( -0.000 15.934 3.188) 16.250 4.516 ( -0.000 9.531 -3.764) 10.247 4.799 ( -0.000 15.210 3.346) 15.574 5.463 ( 0.000 -11.310 -1.134) 11.366 7.585 ( -0.000 4.032 0.034) 4.032 10.336 ( 0.000 -45.575 6.675) 46.061 11.861 ( -0.000 19.174 -6.121) 20.127======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 0.000 -0.000 11.486) 11.486 1.278 ( 0.000 -0.000 11.486) 11.486 2.435 ( 0.000 -0.000 27.694) 27.694 2.771 ( -0.000 0.000 -6.502) 6.502 2.771 ( -0.000 0.000 -6.502) 6.502 3.606 ( 0.000 -0.000 1.824) 1.824 3.606 ( 0.000 -0.000 1.824) 1.824 4.583 ( -0.000 0.000 -22.792) 22.792 7.057 ( 0.000 -0.000 5.094) 5.094 7.587 ( 0.000 -0.000 0.285) 0.285 7.587 ( 0.000 -0.000 0.285) 0.285 13.325 ( 0.000 -0.000 0.152) 0.152======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 5.139 2.967 12.113) 13.488 1.593 ( 19.304 11.145 8.178) 23.743 2.259 ( -12.645 -7.300 7.479) 16.405 2.794 ( 2.753 1.590 -6.652) 7.373 3.022 ( 15.773 9.106 5.245) 18.953 3.624 ( 1.137 0.656 1.606) 2.074 3.751 ( 10.773 6.220 2.530) 12.694 4.441 ( -4.247 -2.452 -17.297) 17.979 6.467 ( -23.116 -13.346 4.032) 26.994 7.572 ( -1.200 -0.693 0.159) 1.395 8.779 ( 66.554 38.425 -6.226) 77.102 13.027 ( -24.533 -14.164 0.844) 28.341======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 10.686 6.169 11.012) 16.538 1.940 ( -4.321 -2.495 19.294) 19.929 2.224 ( 21.535 12.433 -13.115) 28.113 2.854 ( 4.211 2.431 -6.764) 8.330 3.420 ( 16.952 9.787 4.265) 20.033 3.668 ( 2.203 1.272 1.465) 2.936 4.052 ( 12.768 7.371 5.044) 15.582 4.365 ( 2.795 1.614 -13.087) 13.479 6.056 ( -15.141 -8.742 1.511) 17.548 7.543 ( -1.102 -0.636 0.032) 1.273 10.194 ( 54.518 31.476 -8.083) 63.469 12.293 ( -37.439 -21.616 2.569) 43.307======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 13.125 7.578 9.213) 17.736 1.909 ( 1.073 0.619 10.238) 10.313 2.763 ( 23.694 13.680 -6.026) 28.015 2.942 ( 5.187 2.995 -6.809) 9.069 3.732 ( 2.927 1.690 1.452) 3.679 3.815 ( 16.279 9.399 0.596) 18.807 4.313 ( 8.426 4.865 4.725) 10.816 4.511 ( 12.119 6.997 -7.789) 16.016 5.736 ( -13.189 -7.615 0.573) 15.241 7.536 ( 0.767 0.443 -0.036) 0.886 11.074 ( 8.025 4.633 -20.165) 22.192 11.497 ( -15.498 -8.948 17.640) 25.128======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -0.000 9.033 2.179) 9.292 1.546 ( 0.000 19.799 12.003) 23.153 2.312 ( 0.000 -13.362 2.981) 13.691 2.744 ( -0.000 1.473 -2.055) 2.528 3.048 ( -0.000 18.331 3.382) 18.640 3.631 ( 0.000 1.527 0.814) 1.730 3.760 ( -0.000 13.246 2.385) 13.459 4.387 ( -0.000 -5.268 -13.272) 14.279 6.478 ( 0.000 -26.957 2.864) 27.109 7.572 ( 0.000 -1.437 0.208) 1.452 8.755 ( -0.000 74.796 -3.509) 74.879 13.035 ( 0.000 -27.283 -0.029) 27.283======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 3.922 12.246 4.135) 13.508 1.944 ( 12.963 14.204 14.371) 24.007 2.126 ( -4.300 -0.210 -10.462) 11.314 2.801 ( 3.348 3.069 -2.378) 5.127 3.325 ( 9.346 16.215 2.866) 18.933 3.663 ( 1.204 2.405 0.544) 2.744 3.989 ( 7.750 14.499 3.287) 16.766 4.309 ( 0.285 -0.888 -8.517) 8.568 6.158 ( -9.512 -16.494 1.131) 19.074 7.553 ( -0.580 -1.075 0.085) 1.224 9.810 ( 34.574 58.026 -3.054) 67.614 12.531 ( -20.493 -33.905 -0.043) 39.617======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( 6.751 9.146 5.114) 12.465 1.982 ( -0.430 4.497 4.494) 6.372 2.515 ( 20.189 19.385 -2.759) 28.124 2.891 ( 3.440 4.793 -3.344) 6.782 3.676 ( 12.490 13.827 0.053) 18.633 3.723 ( 2.044 3.537 0.580) 4.126 4.277 ( 6.610 10.172 7.540) 14.284 4.364 ( 8.221 5.718 -8.811) 13.339 5.846 ( -10.392 -12.106 0.218) 15.956 7.544 ( -0.069 1.113 -0.020) 1.115 10.843 ( 28.177 34.051 -6.144) 44.623 11.747 ( -27.708 -34.022 5.034) 44.166======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( -0.000 12.760 -5.970) 14.088 2.003 ( 0.000 -2.083 11.526) 11.713 2.185 ( -0.000 22.647 -10.316) 24.886 2.805 ( 0.000 4.172 3.181) 5.246 3.434 ( -0.000 18.815 1.334) 18.862 3.676 ( -0.000 2.707 -0.278) 2.721 4.093 ( -0.000 17.150 -1.174) 17.190 4.291 ( -0.000 1.448 -0.076) 1.450 6.062 ( 0.000 -17.693 0.331) 17.696 7.542 ( 0.000 -1.288 0.117) 1.293 10.143 ( -0.000 60.784 2.626) 60.841 12.320 ( 0.000 -41.041 -3.243) 41.169======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( 0.000 -0.000 4.108) 4.108 1.354 ( 0.000 -0.000 4.108) 4.108 2.626 ( 0.000 -0.000 10.951) 10.951 2.727 ( -0.000 0.000 -2.432) 2.432 2.727 ( -0.000 0.000 -2.432) 2.432 3.618 ( 0.000 -0.000 0.613) 0.613 3.618 ( 0.000 -0.000 0.613) 0.613 4.423 ( -0.000 0.000 -9.317) 9.317 7.090 ( 0.000 -0.000 1.703) 1.703 7.589 ( 0.000 -0.000 0.101) 0.101 7.589 ( 0.000 -0.000 0.101) 0.101 13.326 ( 0.000 -0.000 0.054) 0.054======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 5.83e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( 6.172 3.564 5.548) 9.032 1.619 ( 19.705 11.377 -2.800) 22.926 2.306 ( -15.171 -8.759 3.057) 17.783 2.748 ( 2.113 1.220 -2.796) 3.711 3.061 ( 15.940 9.203 1.588) 18.475 3.633 ( 1.224 0.707 0.389) 1.466 3.769 ( 11.703 6.757 0.738) 13.533 4.335 ( -3.977 -2.296 -3.343) 5.680 6.489 ( -23.509 -13.573 0.589) 27.152 7.573 ( -1.228 -0.709 -0.026) 1.419 8.745 ( 64.637 37.318 -1.221) 74.646 13.033 ( -24.046 -13.883 0.414) 27.769=================== 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 3/40500 10.0 802.639 802.639 2083.708 -0.000 0.000 -0.000 3/40500 20.0 302.678 302.678 410.863 -0.000 -0.000 -0.000 3/40500 30.0 126.108 126.108 97.465 -0.000 -0.000 -0.000 3/40500 40.0 72.242 72.242 42.419 -0.000 -0.000 -0.000 3/40500 50.0 49.103 49.103 25.475 0.000 -0.000 -0.000 3/40500 60.0 36.484 36.484 17.969 0.000 -0.000 -0.000 3/40500 70.0 28.666 28.666 13.825 0.000 -0.000 -0.000 3/40500 80.0 23.432 23.432 11.213 0.000 -0.000 -0.000 3/40500 90.0 19.732 19.732 9.424 0.000 -0.000 -0.000 3/40500 100.0 17.006 17.006 8.125 0.000 -0.000 -0.000 3/40500 110.0 14.929 14.929 7.143 0.000 -0.000 -0.000 3/40500 120.0 13.301 13.301 6.375 0.000 -0.000 -0.000 3/40500 130.0 11.996 11.996 5.759 0.000 -0.000 -0.000 3/40500 140.0 10.928 10.928 5.255 0.000 -0.000 -0.000 3/40500 150.0 10.038 10.038 4.834 0.000 -0.000 -0.000 3/40500 160.0 9.287 9.287 4.478 0.000 -0.000 -0.000 3/40500 170.0 8.644 8.644 4.172 0.000 -0.000 -0.000 3/40500 180.0 8.087 8.087 3.907 0.000 -0.000 -0.000 3/40500 190.0 7.600 7.600 3.675 0.000 -0.000 -0.000 3/40500 200.0 7.170 7.170 3.470 0.000 -0.000 -0.000 3/40500 210.0 6.788 6.788 3.287 0.000 -0.000 -0.000 3/40500 220.0 6.447 6.447 3.124 0.000 -0.000 -0.000 3/40500 230.0 6.139 6.139 2.976 0.000 -0.000 -0.000 3/40500 240.0 5.860 5.860 2.842 0.000 -0.000 -0.000 3/40500 250.0 5.606 5.606 2.720 0.000 -0.000 -0.000 3/40500 260.0 5.375 5.375 2.609 0.000 -0.000 -0.000 3/40500 270.0 5.162 5.162 2.506 0.000 -0.000 -0.000 3/40500 280.0 4.966 4.966 2.412 0.000 -0.000 -0.000 3/40500 290.0 4.784 4.784 2.324 0.000 -0.000 -0.000 3/40500 300.0 4.616 4.616 2.243 0.000 -0.000 -0.000 3/40500 310.0 4.460 4.460 2.168 0.000 -0.000 -0.000 3/40500 320.0 4.314 4.314 2.097 0.000 -0.000 -0.000 3/40500 330.0 4.177 4.177 2.031 0.000 -0.000 -0.000 3/40500 340.0 4.050 4.050 1.969 0.000 -0.000 -0.000 3/40500 350.0 3.929 3.929 1.911 0.000 -0.000 -0.000 3/40500 360.0 3.816 3.816 1.857 0.000 -0.000 -0.000 3/40500 370.0 3.710 3.710 1.805 0.000 -0.000 -0.000 3/40500 380.0 3.609 3.609 1.756 0.000 -0.000 -0.000 3/40500 390.0 3.514 3.514 1.710 0.000 -0.000 -0.000 3/40500 400.0 3.424 3.424 1.666 0.000 -0.000 -0.000 3/40500 410.0 3.338 3.338 1.625 0.000 -0.000 -0.000 3/40500 420.0 3.257 3.257 1.585 0.000 -0.000 -0.000 3/40500 430.0 3.179 3.179 1.548 0.000 -0.000 -0.000 3/40500 440.0 3.106 3.106 1.512 0.000 -0.000 -0.000 3/40500 450.0 3.035 3.035 1.478 0.000 -0.000 -0.000 3/40500 460.0 2.968 2.968 1.445 0.000 -0.000 -0.000 3/40500 470.0 2.904 2.904 1.414 0.000 -0.000 -0.000 3/40500 480.0 2.842 2.842 1.384 0.000 -0.000 -0.000 3/40500 490.0 2.783 2.783 1.356 0.000 -0.000 -0.000 3/40500 500.0 2.727 2.727 1.328 0.000 -0.000 -0.000 3/40500 510.0 2.673 2.673 1.302 0.000 -0.000 -0.000 3/40500 520.0 2.621 2.621 1.277 0.000 -0.000 -0.000 3/40500 530.0 2.570 2.570 1.252 0.000 -0.000 -0.000 3/40500 540.0 2.522 2.522 1.229 0.000 -0.000 -0.000 3/40500 550.0 2.476 2.476 1.206 0.000 -0.000 -0.000 3/40500 560.0 2.431 2.431 1.185 0.000 -0.000 -0.000 3/40500 570.0 2.388 2.388 1.164 0.000 -0.000 -0.000 3/40500 580.0 2.347 2.347 1.143 0.000 -0.000 -0.000 3/40500 590.0 2.306 2.306 1.124 0.000 -0.000 -0.000 3/40500 600.0 2.268 2.268 1.105 0.000 -0.000 -0.000 3/40500 610.0 2.230 2.230 1.087 0.000 -0.000 -0.000 3/40500 620.0 2.194 2.194 1.069 0.000 -0.000 -0.000 3/40500 630.0 2.159 2.159 1.052 0.000 -0.000 -0.000 3/40500 640.0 2.125 2.125 1.036 0.000 -0.000 -0.000 3/40500 650.0 2.092 2.092 1.020 0.000 -0.000 -0.000 3/40500 660.0 2.060 2.060 1.004 0.000 -0.000 -0.000 3/40500 670.0 2.029 2.029 0.989 0.000 -0.000 -0.000 3/40500 680.0 1.999 1.999 0.975 0.000 -0.000 -0.000 3/40500 690.0 1.970 1.970 0.960 0.000 -0.000 -0.000 3/40500 700.0 1.942 1.942 0.947 0.000 -0.000 -0.000 3/40500 710.0 1.914 1.914 0.933 0.000 -0.000 -0.000 3/40500 720.0 1.888 1.888 0.920 0.000 -0.000 -0.000 3/40500 730.0 1.862 1.862 0.908 0.000 -0.000 -0.000 3/40500 740.0 1.836 1.836 0.895 0.000 -0.000 -0.000 3/40500 750.0 1.812 1.812 0.883 0.000 -0.000 -0.000 3/40500 760.0 1.788 1.788 0.872 0.000 -0.000 -0.000 3/40500 770.0 1.765 1.765 0.860 0.000 -0.000 -0.000 3/40500 780.0 1.742 1.742 0.849 0.000 -0.000 -0.000 3/40500 790.0 1.720 1.720 0.839 0.000 -0.000 -0.000 3/40500 800.0 1.698 1.698 0.828 0.000 -0.000 -0.000 3/40500 810.0 1.677 1.677 0.818 0.000 -0.000 -0.000 3/40500 820.0 1.657 1.657 0.808 0.000 -0.000 -0.000 3/40500 830.0 1.637 1.637 0.798 0.000 -0.000 -0.000 3/40500 840.0 1.617 1.617 0.789 0.000 -0.000 -0.000 3/40500 850.0 1.598 1.598 0.779 0.000 -0.000 -0.000 3/40500 860.0 1.580 1.580 0.770 0.000 -0.000 -0.000 3/40500 870.0 1.561 1.561 0.761 0.000 -0.000 -0.000 3/40500 880.0 1.544 1.544 0.753 0.000 -0.000 -0.000 3/40500 890.0 1.526 1.526 0.744 0.000 -0.000 -0.000 3/40500 900.0 1.509 1.509 0.736 0.000 -0.000 -0.000 3/40500 910.0 1.493 1.493 0.728 0.000 -0.000 -0.000 3/40500 920.0 1.476 1.476 0.720 0.000 -0.000 -0.000 3/40500 930.0 1.460 1.460 0.712 0.000 -0.000 -0.000 3/40500 940.0 1.445 1.445 0.705 0.000 -0.000 -0.000 3/40500 950.0 1.430 1.430 0.697 0.000 -0.000 -0.000 3/40500 960.0 1.415 1.415 0.690 0.000 -0.000 -0.000 3/40500 970.0 1.400 1.400 0.683 0.000 -0.000 -0.000 3/40500 980.0 1.386 1.386 0.676 0.000 -0.000 -0.000 3/40500 990.0 1.372 1.372 0.669 0.000 -0.000 -0.000 3/40500 1000.0 1.358 1.358 0.662 0.000 -0.000 -0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:17:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|